USER MOD reduce.3.24.130724 H: found=0, std=0, add=1467, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1476 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 166 MET CE :methyl -122:sc= -0.558 (180deg=-0.893) USER MOD Set 1.2: A 181 THR OG1 : rot 69:sc= 1.27 USER MOD Set 2.1: A 159 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.2: A 188 LYS NZ :NH3+ -134:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 56 MET CE :methyl -111:sc= 0 (180deg=-1.92!) USER MOD Set 3.2: A 153 MET CE :methyl -173:sc= -1.66 (180deg=-1.77) USER MOD Set 4.1: A 60 HIS : no HE2:sc= 0.746 K(o=2.4,f=-9.2!) USER MOD Set 4.2: A 62 ASN : amide:sc= -0.514 K(o=2.4,f=-4.6!) USER MOD Set 4.3: A 73 THR OG1 : rot 134:sc= 2.12 USER MOD Set 5.1: A 43 SER OG : rot -65:sc= 2.21 USER MOD Set 5.2: A 58 LYS NZ :NH3+ 167:sc= 2.15 (180deg=0.498) USER MOD Set 6.1: A 49 LYS NZ :NH3+ -167:sc= 1.31 (180deg=0) USER MOD Set 6.2: A 176 GLN : amide:sc= 0.748 K(o=2.1,f=-7!) USER MOD Set 7.1: A 35 GLN : amide:sc= 1.04 K(o=1,f=-0.9) USER MOD Set 7.2: A 171 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 30 CYS SG : rot -133:sc= -1.98! USER MOD Set 8.2: A 33 CYS SG : rot -70:sc= -0.644 USER MOD Set 9.1: A 1 ALA N :NH3+ -172:sc= 1.38 (180deg=0.126) USER MOD Set 9.2: A 3 TYR OH : rot -60:sc= 1.41 USER MOD Single : A 2 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.0083) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 1.12 (180deg=0.864) USER MOD Single : A 8 GLN : amide:sc= 0.719 K(o=0.72,f=-11!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 129:sc= 0.789 USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.146) USER MOD Single : A 21 GLN : amide:sc= -2.37! X(o=-2.4!,f=-2.8) USER MOD Single : A 27 SER OG : rot 8:sc= -1.93! USER MOD Single : A 32 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-7.4!) USER MOD Single : A 34 TYR OH : rot -132:sc= 1.24 USER MOD Single : A 41 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.1!) USER MOD Single : A 45 ASN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= 2.36 (180deg=1.42) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0.441 (180deg=0.347) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -178:sc= -0.0619 (180deg=-0.0694) USER MOD Single : A 70 LYS NZ :NH3+ -109:sc= 1.2 (180deg=0.541) USER MOD Single : A 74 GLN : amide:sc= -0.754 K(o=-0.75,f=-2.9!) USER MOD Single : A 80 MET CE :methyl -167:sc= -0.924 (180deg=-1.28) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= 1.33 (180deg=1.08) USER MOD Single : A 89 THR OG1 : rot 54:sc= 1.3 USER MOD Single : A 97 GLN : amide:sc= 1.43 K(o=1.4,f=-2.6!) USER MOD Single : A 98 LYS NZ :NH3+ -120:sc= 0.889 (180deg=-2.14!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 100 GLN : amide:sc= 0.00102 K(o=0.001,f=-2.7!) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 104 SER OG : rot 38:sc= 1.12 USER MOD Single : A 106 SER OG : rot 180:sc= 0.18 USER MOD Single : A 114 ASN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot -105:sc= 1.01 USER MOD Single : A 127 ASN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD Single : A 128 SER OG : rot 56:sc= 0.979 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 78:sc= 1.24 USER MOD Single : A 137 GLN :FLIP amide:sc= -0.0074 F(o=-1.1,f=-0.0074) USER MOD Single : A 138 GLN : amide:sc= 0.065 K(o=0.065,f=-4!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 146 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.1) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= -0.0948 K(o=-0.095,f=-1.7!) USER MOD Single : A 162 ASN : amide:sc= 0.225 K(o=0.23,f=-2!) USER MOD Single : A 164 GLN :FLIP amide:sc= -0.66 F(o=-3.6!,f=-0.66) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 169 SER OG : rot -111:sc= 1.08 USER MOD Single : A 170 ASN : amide:sc= -0.0755 K(o=-0.075,f=-4.2!) USER MOD Single : A 177 GLN : amide:sc= -2.55! X(o=-2.5!,f=-2.3) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.179) USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot -85:sc= 1.27 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.383 -3.422 8.540 1.00 4.06 N ATOM 2 CA ALA A 1 21.967 -4.224 7.437 1.00 3.55 C ATOM 3 C ALA A 1 22.752 -3.326 6.487 1.00 2.45 C ATOM 4 O ALA A 1 23.054 -2.181 6.822 1.00 2.64 O ATOM 5 CB ALA A 1 20.865 -4.963 6.686 1.00 4.08 C ATOM 0 H1 ALA A 1 20.968 -4.059 9.250 1.00 4.06 H new ATOM 0 H2 ALA A 1 22.128 -2.847 8.984 1.00 4.06 H new ATOM 0 H3 ALA A 1 20.643 -2.797 8.161 1.00 4.06 H new ATOM 0 HA ALA A 1 22.652 -4.958 7.861 1.00 3.55 H new ATOM 0 HB1 ALA A 1 21.305 -5.549 5.879 1.00 4.08 H new ATOM 0 HB2 ALA A 1 20.340 -5.628 7.372 1.00 4.08 H new ATOM 0 HB3 ALA A 1 20.162 -4.242 6.270 1.00 4.08 H new ATOM 13 N GLN A 2 23.085 -3.839 5.306 1.00 1.87 N ATOM 14 CA GLN A 2 23.824 -3.063 4.316 1.00 1.08 C ATOM 15 C GLN A 2 22.847 -2.409 3.342 1.00 0.98 C ATOM 16 O GLN A 2 21.939 -3.065 2.833 1.00 1.20 O ATOM 17 CB GLN A 2 24.805 -3.961 3.553 1.00 1.59 C ATOM 18 CG GLN A 2 26.259 -3.531 3.660 1.00 2.07 C ATOM 19 CD GLN A 2 26.520 -2.176 3.030 1.00 2.84 C ATOM 20 OE1 GLN A 2 26.706 -2.070 1.820 1.00 3.18 O ATOM 21 NE2 GLN A 2 26.555 -1.134 3.846 1.00 3.58 N ATOM 0 H GLN A 2 22.855 -4.788 5.012 1.00 1.87 H new ATOM 0 HA GLN A 2 24.393 -2.288 4.830 1.00 1.08 H new ATOM 0 HB2 GLN A 2 24.711 -4.981 3.926 1.00 1.59 H new ATOM 0 HB3 GLN A 2 24.520 -3.979 2.501 1.00 1.59 H new ATOM 0 HG2 GLN A 2 26.547 -3.499 4.711 1.00 2.07 H new ATOM 0 HG3 GLN A 2 26.890 -4.278 3.179 1.00 2.07 H new ATOM 0 HE21 GLN A 2 26.395 -1.263 4.845 1.00 3.58 H new ATOM 0 HE22 GLN A 2 26.742 -0.202 3.476 1.00 3.58 H new ATOM 30 N TYR A 3 23.023 -1.116 3.101 1.00 0.86 N ATOM 31 CA TYR A 3 22.148 -0.382 2.196 1.00 0.85 C ATOM 32 C TYR A 3 22.971 0.483 1.250 1.00 0.84 C ATOM 33 O TYR A 3 23.619 1.439 1.673 1.00 0.97 O ATOM 34 CB TYR A 3 21.166 0.499 2.985 1.00 0.91 C ATOM 35 CG TYR A 3 20.597 -0.177 4.211 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.642 -1.180 4.097 1.00 1.08 C ATOM 37 CD2 TYR A 3 21.030 0.177 5.479 1.00 0.96 C ATOM 38 CE1 TYR A 3 19.141 -1.813 5.214 1.00 1.18 C ATOM 39 CE2 TYR A 3 20.529 -0.447 6.600 1.00 1.07 C ATOM 40 CZ TYR A 3 19.589 -1.441 6.465 1.00 1.15 C ATOM 41 OH TYR A 3 19.115 -2.078 7.588 1.00 1.32 O ATOM 0 H TYR A 3 23.764 -0.554 3.520 1.00 0.86 H new ATOM 0 HA TYR A 3 21.578 -1.106 1.613 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.675 1.414 3.288 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.347 0.792 2.329 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.287 -1.468 3.118 1.00 1.08 H new ATOM 0 HD2 TYR A 3 21.772 0.954 5.590 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.403 -2.595 5.111 1.00 1.18 H new ATOM 0 HE2 TYR A 3 20.873 -0.156 7.582 1.00 1.07 H new ATOM 0 HH TYR A 3 18.143 -1.965 7.642 1.00 1.32 H new ATOM 51 N GLU A 4 22.957 0.126 -0.025 1.00 0.79 N ATOM 52 CA GLU A 4 23.690 0.868 -1.043 1.00 0.81 C ATOM 53 C GLU A 4 22.711 1.596 -1.957 1.00 0.74 C ATOM 54 O GLU A 4 21.657 1.056 -2.304 1.00 0.72 O ATOM 55 CB GLU A 4 24.560 -0.074 -1.878 1.00 0.88 C ATOM 56 CG GLU A 4 25.202 -1.195 -1.078 1.00 1.10 C ATOM 57 CD GLU A 4 25.505 -2.405 -1.933 1.00 1.60 C ATOM 58 OE1 GLU A 4 26.313 -2.287 -2.875 1.00 2.08 O1- ATOM 59 OE2 GLU A 4 24.924 -3.481 -1.676 1.00 2.29 O ATOM 0 H GLU A 4 22.442 -0.679 -0.383 1.00 0.79 H new ATOM 0 HA GLU A 4 24.335 1.591 -0.544 1.00 0.81 H new ATOM 0 HB2 GLU A 4 23.950 -0.510 -2.669 1.00 0.88 H new ATOM 0 HB3 GLU A 4 25.344 0.507 -2.363 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.124 -0.833 -0.624 1.00 1.10 H new ATOM 0 HG3 GLU A 4 24.538 -1.485 -0.264 1.00 1.10 H new ATOM 66 N ASP A 5 23.057 2.813 -2.347 1.00 0.74 N ATOM 67 CA ASP A 5 22.202 3.599 -3.226 1.00 0.71 C ATOM 68 C ASP A 5 22.200 2.984 -4.616 1.00 0.71 C ATOM 69 O ASP A 5 23.253 2.811 -5.229 1.00 0.77 O ATOM 70 CB ASP A 5 22.671 5.052 -3.293 1.00 0.74 C ATOM 71 CG ASP A 5 21.515 6.033 -3.374 1.00 1.14 C ATOM 72 OD1 ASP A 5 20.483 5.715 -4.001 1.00 1.76 O1- ATOM 73 OD2 ASP A 5 21.636 7.136 -2.796 1.00 1.83 O ATOM 0 H ASP A 5 23.922 3.278 -2.070 1.00 0.74 H new ATOM 0 HA ASP A 5 21.189 3.592 -2.823 1.00 0.71 H new ATOM 0 HB2 ASP A 5 23.273 5.277 -2.413 1.00 0.74 H new ATOM 0 HB3 ASP A 5 23.316 5.183 -4.162 1.00 0.74 H new ATOM 78 N GLY A 6 21.024 2.627 -5.093 1.00 0.68 N ATOM 79 CA GLY A 6 20.906 2.014 -6.395 1.00 0.70 C ATOM 80 C GLY A 6 20.815 0.505 -6.295 1.00 0.71 C ATOM 81 O GLY A 6 20.505 -0.174 -7.273 1.00 0.78 O ATOM 0 H GLY A 6 20.141 2.752 -4.598 1.00 0.68 H new ATOM 0 HA2 GLY A 6 20.021 2.400 -6.900 1.00 0.70 H new ATOM 0 HA3 GLY A 6 21.766 2.287 -7.006 1.00 0.70 H new ATOM 85 N LYS A 7 21.088 -0.021 -5.109 1.00 0.69 N ATOM 86 CA LYS A 7 21.047 -1.455 -4.887 1.00 0.71 C ATOM 87 C LYS A 7 19.695 -1.875 -4.311 1.00 0.64 C ATOM 88 O LYS A 7 18.804 -2.293 -5.050 1.00 0.62 O ATOM 89 CB LYS A 7 22.184 -1.870 -3.953 1.00 0.80 C ATOM 90 CG LYS A 7 22.360 -3.374 -3.823 1.00 0.86 C ATOM 91 CD LYS A 7 23.075 -3.963 -5.023 1.00 1.04 C ATOM 92 CE LYS A 7 23.767 -5.265 -4.660 1.00 1.23 C ATOM 93 NZ LYS A 7 24.979 -5.040 -3.827 1.00 1.87 N1+ ATOM 0 H LYS A 7 21.340 0.527 -4.286 1.00 0.69 H new ATOM 0 HA LYS A 7 21.176 -1.961 -5.844 1.00 0.71 H new ATOM 0 HB2 LYS A 7 23.115 -1.436 -4.316 1.00 0.80 H new ATOM 0 HB3 LYS A 7 22.000 -1.449 -2.964 1.00 0.80 H new ATOM 0 HG2 LYS A 7 22.925 -3.597 -2.918 1.00 0.86 H new ATOM 0 HG3 LYS A 7 21.384 -3.846 -3.714 1.00 0.86 H new ATOM 0 HD2 LYS A 7 22.360 -4.139 -5.826 1.00 1.04 H new ATOM 0 HD3 LYS A 7 23.808 -3.250 -5.400 1.00 1.04 H new ATOM 0 HE2 LYS A 7 23.071 -5.907 -4.121 1.00 1.23 H new ATOM 0 HE3 LYS A 7 24.047 -5.793 -5.572 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 25.530 -5.920 -3.772 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 25.561 -4.293 -4.256 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 24.694 -4.750 -2.870 1.00 1.87 H new ATOM 107 N GLN A 8 19.548 -1.744 -2.995 1.00 0.66 N ATOM 108 CA GLN A 8 18.311 -2.119 -2.310 1.00 0.62 C ATOM 109 C GLN A 8 17.304 -0.979 -2.365 1.00 0.56 C ATOM 110 O GLN A 8 16.094 -1.195 -2.285 1.00 0.53 O ATOM 111 CB GLN A 8 18.602 -2.494 -0.850 1.00 0.68 C ATOM 112 CG GLN A 8 19.626 -3.610 -0.710 1.00 0.78 C ATOM 113 CD GLN A 8 21.040 -3.093 -0.516 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.347 -1.945 -0.843 1.00 1.46 O ATOM 115 NE2 GLN A 8 21.916 -3.939 0.000 1.00 1.15 N ATOM 0 H GLN A 8 20.274 -1.379 -2.378 1.00 0.66 H new ATOM 0 HA GLN A 8 17.886 -2.985 -2.818 1.00 0.62 H new ATOM 0 HB2 GLN A 8 18.961 -1.612 -0.320 1.00 0.68 H new ATOM 0 HB3 GLN A 8 17.673 -2.799 -0.368 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.356 -4.240 0.137 1.00 0.78 H new ATOM 0 HG3 GLN A 8 19.594 -4.240 -1.599 1.00 0.78 H new ATOM 0 HE21 GLN A 8 21.624 -4.881 0.258 1.00 1.15 H new ATOM 0 HE22 GLN A 8 22.884 -3.649 0.140 1.00 1.15 H new ATOM 124 N TYR A 9 17.813 0.232 -2.502 1.00 0.57 N ATOM 125 CA TYR A 9 16.970 1.409 -2.577 1.00 0.54 C ATOM 126 C TYR A 9 17.564 2.400 -3.563 1.00 0.55 C ATOM 127 O TYR A 9 18.768 2.400 -3.794 1.00 0.62 O ATOM 128 CB TYR A 9 16.801 2.051 -1.192 1.00 0.54 C ATOM 129 CG TYR A 9 18.005 2.833 -0.697 1.00 0.56 C ATOM 130 CD1 TYR A 9 19.032 2.207 0.003 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.110 4.202 -0.921 1.00 0.59 C ATOM 132 CE1 TYR A 9 20.127 2.926 0.463 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.197 4.925 -0.467 1.00 0.65 C ATOM 134 CZ TYR A 9 20.205 4.283 0.225 1.00 0.69 C ATOM 135 OH TYR A 9 21.290 5.004 0.686 1.00 0.79 O ATOM 0 H TYR A 9 18.813 0.425 -2.564 1.00 0.57 H new ATOM 0 HA TYR A 9 15.981 1.113 -2.926 1.00 0.54 H new ATOM 0 HB2 TYR A 9 15.940 2.718 -1.220 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.574 1.267 -0.470 1.00 0.54 H new ATOM 0 HD1 TYR A 9 18.976 1.145 0.191 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.325 4.711 -1.461 1.00 0.59 H new ATOM 0 HE1 TYR A 9 20.915 2.425 1.005 1.00 0.70 H new ATOM 0 HE2 TYR A 9 19.258 5.987 -0.653 1.00 0.65 H new ATOM 0 HH TYR A 9 21.189 5.945 0.432 1.00 0.79 H new ATOM 145 N THR A 10 16.721 3.228 -4.139 1.00 0.53 N ATOM 146 CA THR A 10 17.154 4.219 -5.104 1.00 0.56 C ATOM 147 C THR A 10 16.657 5.603 -4.709 1.00 0.55 C ATOM 148 O THR A 10 15.491 5.768 -4.342 1.00 0.56 O ATOM 149 CB THR A 10 16.629 3.876 -6.511 1.00 0.59 C ATOM 150 OG1 THR A 10 15.704 2.778 -6.434 1.00 0.83 O ATOM 151 CG2 THR A 10 17.770 3.509 -7.445 1.00 0.90 C ATOM 0 H THR A 10 15.718 3.235 -3.954 1.00 0.53 H new ATOM 0 HA THR A 10 18.244 4.216 -5.117 1.00 0.56 H new ATOM 0 HB THR A 10 16.124 4.757 -6.908 1.00 0.59 H new ATOM 0 HG1 THR A 10 15.373 2.566 -7.332 1.00 0.83 H new ATOM 0 HG21 THR A 10 17.371 3.271 -8.431 1.00 0.90 H new ATOM 0 HG22 THR A 10 18.459 4.350 -7.525 1.00 0.90 H new ATOM 0 HG23 THR A 10 18.299 2.642 -7.049 1.00 0.90 H new ATOM 159 N THR A 11 17.542 6.587 -4.761 1.00 0.63 N ATOM 160 CA THR A 11 17.173 7.951 -4.419 1.00 0.65 C ATOM 161 C THR A 11 16.630 8.696 -5.640 1.00 0.65 C ATOM 162 O THR A 11 17.276 8.748 -6.689 1.00 0.73 O ATOM 163 CB THR A 11 18.372 8.725 -3.846 1.00 0.71 C ATOM 164 OG1 THR A 11 18.989 7.967 -2.795 1.00 1.11 O ATOM 165 CG2 THR A 11 17.928 10.076 -3.304 1.00 0.97 C ATOM 0 H THR A 11 18.517 6.467 -5.036 1.00 0.63 H new ATOM 0 HA THR A 11 16.393 7.891 -3.660 1.00 0.65 H new ATOM 0 HB THR A 11 19.091 8.886 -4.649 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.953 7.903 -2.960 1.00 1.11 H new ATOM 0 HG21 THR A 11 18.790 10.608 -2.903 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.482 10.662 -4.108 1.00 0.97 H new ATOM 0 HG23 THR A 11 17.194 9.927 -2.513 1.00 0.97 H new ATOM 173 N LEU A 12 15.444 9.272 -5.501 1.00 0.63 N ATOM 174 CA LEU A 12 14.826 10.017 -6.589 1.00 0.65 C ATOM 175 C LEU A 12 15.321 11.458 -6.594 1.00 0.69 C ATOM 176 O LEU A 12 15.499 12.061 -5.538 1.00 0.71 O ATOM 177 CB LEU A 12 13.301 9.999 -6.450 1.00 0.66 C ATOM 178 CG LEU A 12 12.673 8.610 -6.331 1.00 0.67 C ATOM 179 CD1 LEU A 12 11.199 8.721 -5.963 1.00 0.74 C ATOM 180 CD2 LEU A 12 12.854 7.833 -7.628 1.00 0.72 C ATOM 0 H LEU A 12 14.890 9.238 -4.645 1.00 0.63 H new ATOM 0 HA LEU A 12 15.104 9.541 -7.529 1.00 0.65 H new ATOM 0 HB2 LEU A 12 13.026 10.581 -5.570 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.868 10.503 -7.314 1.00 0.66 H new ATOM 0 HG LEU A 12 13.180 8.065 -5.535 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.768 7.723 -5.883 1.00 0.74 H new ATOM 0 HD12 LEU A 12 11.100 9.237 -5.008 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.673 9.282 -6.735 1.00 0.74 H new ATOM 0 HD21 LEU A 12 12.402 6.846 -7.527 1.00 0.72 H new ATOM 0 HD22 LEU A 12 12.373 8.371 -8.445 1.00 0.72 H new ATOM 0 HD23 LEU A 12 13.917 7.724 -7.842 1.00 0.72 H new ATOM 192 N GLU A 13 15.550 12.004 -7.783 1.00 0.75 N ATOM 193 CA GLU A 13 16.017 13.381 -7.903 1.00 0.81 C ATOM 194 C GLU A 13 14.850 14.345 -7.746 1.00 0.80 C ATOM 195 O GLU A 13 15.038 15.524 -7.447 1.00 0.89 O ATOM 196 CB GLU A 13 16.702 13.629 -9.251 1.00 0.92 C ATOM 197 CG GLU A 13 17.430 12.424 -9.818 1.00 1.05 C ATOM 198 CD GLU A 13 16.549 11.622 -10.752 1.00 1.67 C ATOM 199 OE1 GLU A 13 16.530 11.922 -11.965 1.00 2.33 O ATOM 200 OE2 GLU A 13 15.856 10.702 -10.270 1.00 2.28 O1- ATOM 0 H GLU A 13 15.421 11.519 -8.671 1.00 0.75 H new ATOM 0 HA GLU A 13 16.747 13.550 -7.111 1.00 0.81 H new ATOM 0 HB2 GLU A 13 15.952 13.956 -9.971 1.00 0.92 H new ATOM 0 HB3 GLU A 13 17.413 14.447 -9.138 1.00 0.92 H new ATOM 0 HG2 GLU A 13 18.320 12.756 -10.353 1.00 1.05 H new ATOM 0 HG3 GLU A 13 17.769 11.787 -9.001 1.00 1.05 H new ATOM 207 N LYS A 14 13.644 13.833 -7.954 1.00 0.75 N ATOM 208 CA LYS A 14 12.437 14.635 -7.839 1.00 0.76 C ATOM 209 C LYS A 14 11.539 14.069 -6.747 1.00 0.70 C ATOM 210 O LYS A 14 10.761 13.147 -6.993 1.00 0.71 O ATOM 211 CB LYS A 14 11.685 14.660 -9.175 1.00 0.84 C ATOM 212 CG LYS A 14 12.593 14.854 -10.382 1.00 1.51 C ATOM 213 CD LYS A 14 12.999 16.306 -10.561 1.00 2.21 C ATOM 214 CE LYS A 14 14.128 16.437 -11.575 1.00 3.19 C ATOM 215 NZ LYS A 14 13.796 15.771 -12.866 1.00 3.64 N1+ ATOM 0 H LYS A 14 13.477 12.859 -8.205 1.00 0.75 H new ATOM 0 HA LYS A 14 12.718 15.655 -7.577 1.00 0.76 H new ATOM 0 HB2 LYS A 14 11.136 13.726 -9.291 1.00 0.84 H new ATOM 0 HB3 LYS A 14 10.948 15.463 -9.153 1.00 0.84 H new ATOM 0 HG2 LYS A 14 13.486 14.240 -10.266 1.00 1.51 H new ATOM 0 HG3 LYS A 14 12.081 14.507 -11.280 1.00 1.51 H new ATOM 0 HD2 LYS A 14 12.140 16.889 -10.891 1.00 2.21 H new ATOM 0 HD3 LYS A 14 13.316 16.719 -9.603 1.00 2.21 H new ATOM 0 HE2 LYS A 14 14.335 17.492 -11.754 1.00 3.19 H new ATOM 0 HE3 LYS A 14 15.038 15.999 -11.164 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 14.489 16.051 -13.589 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 13.823 14.739 -12.741 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 12.844 16.058 -13.170 1.00 3.64 H new ATOM 229 N PRO A 15 11.661 14.594 -5.522 1.00 0.70 N ATOM 230 CA PRO A 15 10.865 14.139 -4.387 1.00 0.68 C ATOM 231 C PRO A 15 9.481 14.780 -4.339 1.00 0.67 C ATOM 232 O PRO A 15 9.303 15.948 -4.701 1.00 0.76 O ATOM 233 CB PRO A 15 11.709 14.576 -3.190 1.00 0.72 C ATOM 234 CG PRO A 15 12.463 15.782 -3.648 1.00 0.85 C ATOM 235 CD PRO A 15 12.594 15.676 -5.148 1.00 0.79 C ATOM 0 HA PRO A 15 10.664 13.068 -4.426 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.080 14.810 -2.331 1.00 0.72 H new ATOM 0 HB3 PRO A 15 12.389 13.783 -2.880 1.00 0.72 H new ATOM 0 HG2 PRO A 15 11.936 16.695 -3.370 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.445 15.825 -3.177 1.00 0.85 H new ATOM 0 HD2 PRO A 15 12.331 16.614 -5.637 1.00 0.79 H new ATOM 0 HD3 PRO A 15 13.616 15.439 -5.442 1.00 0.79 H new ATOM 243 N VAL A 16 8.504 14.010 -3.885 1.00 0.62 N ATOM 244 CA VAL A 16 7.137 14.496 -3.786 1.00 0.64 C ATOM 245 C VAL A 16 6.965 15.329 -2.524 1.00 0.64 C ATOM 246 O VAL A 16 7.081 14.813 -1.414 1.00 0.66 O ATOM 247 CB VAL A 16 6.128 13.333 -3.771 1.00 0.65 C ATOM 248 CG1 VAL A 16 4.700 13.859 -3.694 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.317 12.453 -4.998 1.00 0.72 C ATOM 0 H VAL A 16 8.633 13.045 -3.579 1.00 0.62 H new ATOM 0 HA VAL A 16 6.942 15.113 -4.663 1.00 0.64 H new ATOM 0 HB VAL A 16 6.311 12.727 -2.883 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.003 13.021 -3.685 1.00 0.70 H new ATOM 0 HG12 VAL A 16 4.576 14.444 -2.783 1.00 0.70 H new ATOM 0 HG13 VAL A 16 4.497 14.489 -4.560 1.00 0.70 H new ATOM 0 HG21 VAL A 16 5.597 11.635 -4.974 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.162 13.047 -5.899 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.328 12.046 -5.002 1.00 0.72 H new ATOM 259 N ALA A 17 6.715 16.620 -2.702 1.00 0.71 N ATOM 260 CA ALA A 17 6.529 17.529 -1.577 1.00 0.75 C ATOM 261 C ALA A 17 5.241 17.220 -0.820 1.00 0.72 C ATOM 262 O ALA A 17 4.169 17.104 -1.414 1.00 0.80 O ATOM 263 CB ALA A 17 6.521 18.971 -2.062 1.00 0.89 C ATOM 0 H ALA A 17 6.636 17.063 -3.618 1.00 0.71 H new ATOM 0 HA ALA A 17 7.364 17.388 -0.890 1.00 0.75 H new ATOM 0 HB1 ALA A 17 6.381 19.640 -1.213 1.00 0.89 H new ATOM 0 HB2 ALA A 17 7.470 19.196 -2.549 1.00 0.89 H new ATOM 0 HB3 ALA A 17 5.706 19.111 -2.772 1.00 0.89 H new ATOM 269 N GLY A 18 5.362 17.075 0.491 1.00 0.71 N ATOM 270 CA GLY A 18 4.211 16.793 1.325 1.00 0.73 C ATOM 271 C GLY A 18 3.830 15.327 1.328 1.00 0.68 C ATOM 272 O GLY A 18 2.723 14.971 1.733 1.00 0.73 O ATOM 0 H GLY A 18 6.245 17.148 0.996 1.00 0.71 H new ATOM 0 HA2 GLY A 18 4.422 17.110 2.346 1.00 0.73 H new ATOM 0 HA3 GLY A 18 3.363 17.383 0.977 1.00 0.73 H new ATOM 276 N ALA A 19 4.742 14.472 0.876 1.00 0.64 N ATOM 277 CA ALA A 19 4.481 13.038 0.842 1.00 0.60 C ATOM 278 C ALA A 19 4.561 12.444 2.245 1.00 0.57 C ATOM 279 O ALA A 19 5.357 12.898 3.073 1.00 0.61 O ATOM 280 CB ALA A 19 5.459 12.337 -0.094 1.00 0.61 C ATOM 0 H ALA A 19 5.662 14.745 0.530 1.00 0.64 H new ATOM 0 HA ALA A 19 3.471 12.883 0.462 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.248 11.268 -0.106 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.351 12.739 -1.101 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.478 12.502 0.255 1.00 0.61 H new ATOM 286 N PRO A 20 3.711 11.443 2.541 1.00 0.54 N ATOM 287 CA PRO A 20 3.695 10.782 3.847 1.00 0.54 C ATOM 288 C PRO A 20 5.034 10.124 4.173 1.00 0.51 C ATOM 289 O PRO A 20 5.849 9.868 3.282 1.00 0.52 O ATOM 290 CB PRO A 20 2.590 9.728 3.722 1.00 0.55 C ATOM 291 CG PRO A 20 2.333 9.580 2.264 1.00 0.56 C ATOM 292 CD PRO A 20 2.689 10.893 1.634 1.00 0.55 C ATOM 0 HA PRO A 20 3.518 11.491 4.655 1.00 0.54 H new ATOM 0 HB2 PRO A 20 2.902 8.781 4.162 1.00 0.55 H new ATOM 0 HB3 PRO A 20 1.689 10.042 4.248 1.00 0.55 H new ATOM 0 HG2 PRO A 20 2.933 8.773 1.844 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.288 9.331 2.077 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.077 10.762 0.624 1.00 0.55 H new ATOM 0 HD3 PRO A 20 1.823 11.550 1.559 1.00 0.55 H new ATOM 300 N GLN A 21 5.248 9.851 5.455 1.00 0.52 N ATOM 301 CA GLN A 21 6.486 9.241 5.923 1.00 0.51 C ATOM 302 C GLN A 21 6.745 7.909 5.224 1.00 0.46 C ATOM 303 O GLN A 21 7.830 7.678 4.696 1.00 0.47 O ATOM 304 CB GLN A 21 6.438 9.059 7.438 1.00 0.56 C ATOM 305 CG GLN A 21 6.234 10.367 8.189 1.00 0.66 C ATOM 306 CD GLN A 21 6.357 10.220 9.691 1.00 0.93 C ATOM 307 OE1 GLN A 21 7.454 10.270 10.243 1.00 1.79 O ATOM 308 NE2 GLN A 21 5.229 10.054 10.364 1.00 0.95 N ATOM 0 H GLN A 21 4.573 10.045 6.195 1.00 0.52 H new ATOM 0 HA GLN A 21 7.312 9.907 5.675 1.00 0.51 H new ATOM 0 HB2 GLN A 21 5.630 8.372 7.690 1.00 0.56 H new ATOM 0 HB3 GLN A 21 7.366 8.596 7.772 1.00 0.56 H new ATOM 0 HG2 GLN A 21 6.966 11.096 7.841 1.00 0.66 H new ATOM 0 HG3 GLN A 21 5.248 10.766 7.949 1.00 0.66 H new ATOM 0 HE21 GLN A 21 4.339 10.018 9.867 1.00 0.95 H new ATOM 0 HE22 GLN A 21 5.250 9.962 11.380 1.00 0.95 H new ATOM 317 N VAL A 22 5.757 7.031 5.228 1.00 0.43 N ATOM 318 CA VAL A 22 5.889 5.741 4.564 1.00 0.40 C ATOM 319 C VAL A 22 4.711 5.520 3.626 1.00 0.38 C ATOM 320 O VAL A 22 3.599 5.232 4.065 1.00 0.42 O ATOM 321 CB VAL A 22 5.986 4.570 5.565 1.00 0.42 C ATOM 322 CG1 VAL A 22 6.127 3.245 4.829 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.156 4.771 6.514 1.00 0.45 C ATOM 0 H VAL A 22 4.856 7.185 5.681 1.00 0.43 H new ATOM 0 HA VAL A 22 6.820 5.762 3.997 1.00 0.40 H new ATOM 0 HB VAL A 22 5.066 4.546 6.149 1.00 0.42 H new ATOM 0 HG11 VAL A 22 6.194 2.432 5.552 1.00 0.45 H new ATOM 0 HG12 VAL A 22 5.259 3.090 4.189 1.00 0.45 H new ATOM 0 HG13 VAL A 22 7.030 3.262 4.218 1.00 0.45 H new ATOM 0 HG21 VAL A 22 7.207 3.935 7.211 1.00 0.45 H new ATOM 0 HG22 VAL A 22 8.083 4.824 5.943 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.019 5.699 7.069 1.00 0.45 H new ATOM 333 N LEU A 23 4.969 5.673 2.337 1.00 0.36 N ATOM 334 CA LEU A 23 3.940 5.514 1.322 1.00 0.36 C ATOM 335 C LEU A 23 4.079 4.171 0.619 1.00 0.32 C ATOM 336 O LEU A 23 5.173 3.778 0.222 1.00 0.35 O ATOM 337 CB LEU A 23 4.035 6.655 0.302 1.00 0.41 C ATOM 338 CG LEU A 23 2.953 6.661 -0.777 1.00 0.46 C ATOM 339 CD1 LEU A 23 1.569 6.738 -0.152 1.00 0.51 C ATOM 340 CD2 LEU A 23 3.180 7.823 -1.729 1.00 0.53 C ATOM 0 H LEU A 23 5.890 5.909 1.967 1.00 0.36 H new ATOM 0 HA LEU A 23 2.965 5.547 1.808 1.00 0.36 H new ATOM 0 HB2 LEU A 23 3.995 7.603 0.838 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.009 6.605 -0.184 1.00 0.41 H new ATOM 0 HG LEU A 23 3.013 5.730 -1.340 1.00 0.46 H new ATOM 0 HD11 LEU A 23 0.814 6.741 -0.938 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.414 5.876 0.496 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.485 7.653 0.435 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.405 7.822 -2.496 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.140 8.761 -1.175 1.00 0.53 H new ATOM 0 HD23 LEU A 23 4.157 7.721 -2.201 1.00 0.53 H new ATOM 352 N GLU A 24 2.972 3.467 0.476 1.00 0.32 N ATOM 353 CA GLU A 24 2.979 2.176 -0.194 1.00 0.30 C ATOM 354 C GLU A 24 1.797 2.076 -1.147 1.00 0.29 C ATOM 355 O GLU A 24 0.757 2.694 -0.918 1.00 0.35 O ATOM 356 CB GLU A 24 2.927 1.044 0.829 1.00 0.36 C ATOM 357 CG GLU A 24 3.202 -0.324 0.234 1.00 0.39 C ATOM 358 CD GLU A 24 2.276 -1.382 0.787 1.00 0.90 C ATOM 359 OE1 GLU A 24 1.155 -1.531 0.259 1.00 1.61 O ATOM 360 OE2 GLU A 24 2.657 -2.061 1.763 1.00 1.54 O1- ATOM 0 H GLU A 24 2.057 3.765 0.813 1.00 0.32 H new ATOM 0 HA GLU A 24 3.903 2.085 -0.765 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.655 1.242 1.615 1.00 0.36 H new ATOM 0 HB3 GLU A 24 1.944 1.036 1.300 1.00 0.36 H new ATOM 0 HG2 GLU A 24 3.091 -0.276 -0.849 1.00 0.39 H new ATOM 0 HG3 GLU A 24 4.235 -0.606 0.437 1.00 0.39 H new ATOM 367 N PHE A 25 1.961 1.306 -2.212 1.00 0.27 N ATOM 368 CA PHE A 25 0.905 1.129 -3.198 1.00 0.29 C ATOM 369 C PHE A 25 0.554 -0.345 -3.353 1.00 0.29 C ATOM 370 O PHE A 25 1.413 -1.215 -3.197 1.00 0.34 O ATOM 371 CB PHE A 25 1.333 1.705 -4.548 1.00 0.35 C ATOM 372 CG PHE A 25 1.437 3.198 -4.550 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.302 3.979 -4.664 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.669 3.820 -4.429 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.389 5.356 -4.658 1.00 0.52 C ATOM 376 CE2 PHE A 25 2.766 5.196 -4.424 1.00 0.50 C ATOM 377 CZ PHE A 25 1.624 5.965 -4.539 1.00 0.53 C ATOM 0 H PHE A 25 2.818 0.792 -2.416 1.00 0.27 H new ATOM 0 HA PHE A 25 0.022 1.664 -2.848 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.297 1.280 -4.827 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.617 1.397 -5.310 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.664 3.506 -4.759 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.563 3.221 -4.338 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.505 5.956 -4.746 1.00 0.52 H new ATOM 0 HE2 PHE A 25 3.732 5.671 -4.330 1.00 0.50 H new ATOM 0 HZ PHE A 25 1.696 7.043 -4.536 1.00 0.53 H new ATOM 387 N PHE A 26 -0.712 -0.617 -3.657 1.00 0.31 N ATOM 388 CA PHE A 26 -1.182 -1.983 -3.833 1.00 0.32 C ATOM 389 C PHE A 26 -2.495 -2.003 -4.613 1.00 0.34 C ATOM 390 O PHE A 26 -3.067 -0.952 -4.916 1.00 0.38 O ATOM 391 CB PHE A 26 -1.373 -2.658 -2.468 1.00 0.34 C ATOM 392 CG PHE A 26 -2.677 -2.321 -1.799 1.00 0.36 C ATOM 393 CD1 PHE A 26 -2.987 -1.015 -1.460 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.600 -3.316 -1.520 1.00 0.38 C ATOM 395 CE1 PHE A 26 -4.188 -0.707 -0.857 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.800 -3.012 -0.914 1.00 0.44 C ATOM 397 CZ PHE A 26 -5.095 -1.707 -0.581 1.00 0.51 C ATOM 0 H PHE A 26 -1.431 0.095 -3.786 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.432 -2.534 -4.400 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.310 -3.739 -2.596 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.553 -2.367 -1.812 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.279 -0.227 -1.671 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -3.377 -4.340 -1.780 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.418 0.317 -0.601 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.510 -3.797 -0.700 1.00 0.44 H new ATOM 0 HZ PHE A 26 -6.035 -1.469 -0.105 1.00 0.51 H new ATOM 407 N SER A 27 -2.955 -3.200 -4.952 1.00 0.35 N ATOM 408 CA SER A 27 -4.200 -3.377 -5.683 1.00 0.39 C ATOM 409 C SER A 27 -4.797 -4.748 -5.402 1.00 0.40 C ATOM 410 O SER A 27 -4.103 -5.759 -5.461 1.00 0.40 O ATOM 411 CB SER A 27 -3.974 -3.204 -7.188 1.00 0.42 C ATOM 412 OG SER A 27 -3.698 -1.853 -7.499 1.00 0.96 O ATOM 0 H SER A 27 -2.476 -4.072 -4.728 1.00 0.35 H new ATOM 0 HA SER A 27 -4.900 -2.613 -5.345 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.145 -3.834 -7.511 1.00 0.42 H new ATOM 0 HB3 SER A 27 -4.857 -3.535 -7.734 1.00 0.42 H new ATOM 0 HG SER A 27 -3.594 -1.341 -6.670 1.00 0.96 H new ATOM 418 N PHE A 28 -6.092 -4.773 -5.101 1.00 0.45 N ATOM 419 CA PHE A 28 -6.792 -6.020 -4.811 1.00 0.48 C ATOM 420 C PHE A 28 -6.871 -6.903 -6.050 1.00 0.50 C ATOM 421 O PHE A 28 -7.053 -8.111 -5.948 1.00 0.54 O ATOM 422 CB PHE A 28 -8.202 -5.731 -4.290 1.00 0.53 C ATOM 423 CG PHE A 28 -8.219 -4.856 -3.068 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.756 -5.335 -1.853 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.694 -3.554 -3.134 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.766 -4.535 -0.726 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.708 -2.749 -2.012 1.00 0.62 C ATOM 428 CZ PHE A 28 -8.242 -3.241 -0.804 1.00 0.60 C ATOM 0 H PHE A 28 -6.680 -3.941 -5.052 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.228 -6.550 -4.043 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.782 -5.252 -5.079 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.697 -6.675 -4.059 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.383 -6.346 -1.786 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -9.057 -3.165 -4.074 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.402 -4.921 0.215 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -9.082 -1.738 -2.076 1.00 0.62 H new ATOM 0 HZ PHE A 28 -8.251 -2.614 0.075 1.00 0.60 H new ATOM 438 N PHE A 29 -6.716 -6.290 -7.217 1.00 0.51 N ATOM 439 CA PHE A 29 -6.772 -7.015 -8.482 1.00 0.55 C ATOM 440 C PHE A 29 -5.388 -7.519 -8.887 1.00 0.50 C ATOM 441 O PHE A 29 -5.217 -8.111 -9.953 1.00 0.58 O ATOM 442 CB PHE A 29 -7.341 -6.114 -9.582 1.00 0.59 C ATOM 443 CG PHE A 29 -8.820 -6.271 -9.790 1.00 0.89 C ATOM 444 CD1 PHE A 29 -9.310 -7.234 -10.653 1.00 1.21 C ATOM 445 CD2 PHE A 29 -9.717 -5.452 -9.124 1.00 1.17 C ATOM 446 CE1 PHE A 29 -10.670 -7.381 -10.848 1.00 1.63 C ATOM 447 CE2 PHE A 29 -11.078 -5.593 -9.316 1.00 1.60 C ATOM 448 CZ PHE A 29 -11.556 -6.559 -10.179 1.00 1.78 C ATOM 0 H PHE A 29 -6.550 -5.288 -7.314 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.426 -7.877 -8.349 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -7.127 -5.074 -9.334 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -6.827 -6.331 -10.518 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -8.622 -7.878 -11.180 1.00 1.21 H new ATOM 0 HD2 PHE A 29 -9.349 -4.695 -8.447 1.00 1.17 H new ATOM 0 HE1 PHE A 29 -11.040 -8.138 -11.523 1.00 1.63 H new ATOM 0 HE2 PHE A 29 -11.767 -4.948 -8.791 1.00 1.60 H new ATOM 0 HZ PHE A 29 -12.619 -6.672 -10.331 1.00 1.78 H new ATOM 458 N CYS A 30 -4.403 -7.283 -8.032 1.00 0.46 N ATOM 459 CA CYS A 30 -3.040 -7.706 -8.308 1.00 0.44 C ATOM 460 C CYS A 30 -2.646 -8.873 -7.408 1.00 0.45 C ATOM 461 O CYS A 30 -2.651 -8.748 -6.180 1.00 0.44 O ATOM 462 CB CYS A 30 -2.066 -6.541 -8.108 1.00 0.41 C ATOM 463 SG CYS A 30 -0.327 -6.983 -8.357 1.00 0.48 S ATOM 0 H CYS A 30 -4.524 -6.801 -7.141 1.00 0.46 H new ATOM 0 HA CYS A 30 -2.990 -8.033 -9.347 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.329 -5.739 -8.798 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -2.189 -6.147 -7.099 1.00 0.41 H new ATOM 0 HG CYS A 30 0.385 -6.514 -7.375 1.00 0.48 H new ATOM 469 N PRO A 31 -2.301 -10.023 -8.007 1.00 0.51 N ATOM 470 CA PRO A 31 -1.898 -11.218 -7.254 1.00 0.56 C ATOM 471 C PRO A 31 -0.605 -10.996 -6.473 1.00 0.50 C ATOM 472 O PRO A 31 -0.375 -11.616 -5.432 1.00 0.50 O ATOM 473 CB PRO A 31 -1.697 -12.279 -8.341 1.00 0.67 C ATOM 474 CG PRO A 31 -1.501 -11.522 -9.610 1.00 0.70 C ATOM 475 CD PRO A 31 -2.293 -10.256 -9.466 1.00 0.58 C ATOM 0 HA PRO A 31 -2.639 -11.499 -6.506 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -0.833 -12.906 -8.121 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -2.561 -12.940 -8.408 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -0.446 -11.305 -9.775 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -1.845 -12.102 -10.467 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -1.829 -9.428 -10.003 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.303 -10.366 -9.861 1.00 0.58 H new ATOM 483 N HIS A 32 0.229 -10.093 -6.986 1.00 0.49 N ATOM 484 CA HIS A 32 1.499 -9.761 -6.350 1.00 0.48 C ATOM 485 C HIS A 32 1.249 -9.113 -4.997 1.00 0.39 C ATOM 486 O HIS A 32 1.852 -9.496 -3.999 1.00 0.42 O ATOM 487 CB HIS A 32 2.324 -8.815 -7.236 1.00 0.57 C ATOM 488 CG HIS A 32 3.530 -9.449 -7.859 1.00 0.72 C ATOM 489 ND1 HIS A 32 3.517 -10.702 -8.426 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.792 -8.986 -8.012 1.00 1.25 C ATOM 491 CE1 HIS A 32 4.716 -10.984 -8.893 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.511 -9.960 -8.657 1.00 1.42 N ATOM 0 H HIS A 32 0.045 -9.576 -7.846 1.00 0.49 H new ATOM 0 HA HIS A 32 2.063 -10.683 -6.211 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.683 -8.426 -8.027 1.00 0.57 H new ATOM 0 HB3 HIS A 32 2.645 -7.963 -6.637 1.00 0.57 H new ATOM 0 HD2 HIS A 32 5.165 -8.026 -7.686 1.00 1.25 H new ATOM 0 HE1 HIS A 32 5.000 -11.901 -9.387 1.00 1.74 H new ATOM 0 HE2 HIS A 32 6.497 -9.901 -8.912 1.00 1.42 H new ATOM 501 N CYS A 33 0.337 -8.141 -4.962 1.00 0.37 N ATOM 502 CA CYS A 33 0.001 -7.449 -3.718 1.00 0.32 C ATOM 503 C CYS A 33 -0.619 -8.418 -2.718 1.00 0.32 C ATOM 504 O CYS A 33 -0.370 -8.328 -1.515 1.00 0.29 O ATOM 505 CB CYS A 33 -0.958 -6.295 -3.988 1.00 0.34 C ATOM 506 SG CYS A 33 -0.324 -5.067 -5.151 1.00 0.36 S ATOM 0 H CYS A 33 -0.181 -7.816 -5.778 1.00 0.37 H new ATOM 0 HA CYS A 33 0.921 -7.047 -3.294 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -1.894 -6.697 -4.375 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -1.190 -5.801 -3.045 1.00 0.34 H new ATOM 0 HG CYS A 33 0.644 -4.401 -4.594 1.00 0.36 H new ATOM 512 N TYR A 34 -1.424 -9.341 -3.230 1.00 0.40 N ATOM 513 CA TYR A 34 -2.073 -10.346 -2.406 1.00 0.44 C ATOM 514 C TYR A 34 -1.023 -11.201 -1.705 1.00 0.41 C ATOM 515 O TYR A 34 -1.033 -11.352 -0.484 1.00 0.41 O ATOM 516 CB TYR A 34 -2.968 -11.223 -3.290 1.00 0.55 C ATOM 517 CG TYR A 34 -3.679 -12.331 -2.551 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.723 -12.053 -1.685 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.307 -13.657 -2.725 1.00 0.94 C ATOM 520 CE1 TYR A 34 -5.378 -13.063 -1.011 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.957 -14.675 -2.055 1.00 1.02 C ATOM 522 CZ TYR A 34 -4.992 -14.373 -1.199 1.00 0.73 C ATOM 523 OH TYR A 34 -5.636 -15.380 -0.522 1.00 0.85 O ATOM 0 H TYR A 34 -1.643 -9.412 -4.224 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.685 -9.857 -1.648 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.712 -10.590 -3.775 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.359 -11.662 -4.080 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -5.030 -11.028 -1.535 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.495 -13.897 -3.396 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -6.190 -12.828 -0.339 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.655 -15.702 -2.202 1.00 1.02 H new ATOM 0 HH TYR A 34 -4.973 -15.978 -0.118 1.00 0.85 H new ATOM 533 N GLN A 35 -0.097 -11.725 -2.495 1.00 0.44 N ATOM 534 CA GLN A 35 0.972 -12.568 -1.984 1.00 0.47 C ATOM 535 C GLN A 35 1.907 -11.789 -1.054 1.00 0.37 C ATOM 536 O GLN A 35 2.405 -12.332 -0.063 1.00 0.39 O ATOM 537 CB GLN A 35 1.765 -13.141 -3.158 1.00 0.61 C ATOM 538 CG GLN A 35 2.910 -14.056 -2.754 1.00 1.02 C ATOM 539 CD GLN A 35 4.109 -13.908 -3.667 1.00 1.41 C ATOM 540 OE1 GLN A 35 3.971 -13.575 -4.846 1.00 1.89 O ATOM 541 NE2 GLN A 35 5.294 -14.145 -3.129 1.00 2.27 N ATOM 0 H GLN A 35 -0.066 -11.578 -3.504 1.00 0.44 H new ATOM 0 HA GLN A 35 0.526 -13.376 -1.404 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.084 -13.694 -3.805 1.00 0.61 H new ATOM 0 HB3 GLN A 35 2.165 -12.316 -3.748 1.00 0.61 H new ATOM 0 HG2 GLN A 35 3.206 -13.834 -1.729 1.00 1.02 H new ATOM 0 HG3 GLN A 35 2.569 -15.091 -2.770 1.00 1.02 H new ATOM 0 HE21 GLN A 35 5.364 -14.418 -2.149 1.00 2.27 H new ATOM 0 HE22 GLN A 35 6.138 -14.054 -3.694 1.00 2.27 H new ATOM 550 N PHE A 36 2.120 -10.514 -1.368 1.00 0.33 N ATOM 551 CA PHE A 36 3.013 -9.658 -0.589 1.00 0.29 C ATOM 552 C PHE A 36 2.545 -9.465 0.852 1.00 0.23 C ATOM 553 O PHE A 36 3.365 -9.273 1.743 1.00 0.29 O ATOM 554 CB PHE A 36 3.182 -8.299 -1.272 1.00 0.34 C ATOM 555 CG PHE A 36 4.441 -8.194 -2.086 1.00 0.45 C ATOM 556 CD1 PHE A 36 4.688 -9.078 -3.124 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.379 -7.213 -1.812 1.00 0.64 C ATOM 558 CE1 PHE A 36 5.845 -8.990 -3.873 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.542 -7.116 -2.556 1.00 0.83 C ATOM 560 CZ PHE A 36 6.774 -8.005 -3.589 1.00 0.87 C ATOM 0 H PHE A 36 1.683 -10.047 -2.163 1.00 0.33 H new ATOM 0 HA PHE A 36 3.975 -10.169 -0.546 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.324 -8.116 -1.918 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.182 -7.517 -0.513 1.00 0.34 H new ATOM 0 HD1 PHE A 36 3.965 -9.847 -3.351 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.201 -6.515 -1.008 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.024 -9.688 -4.678 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.267 -6.348 -2.330 1.00 0.83 H new ATOM 0 HZ PHE A 36 7.679 -7.931 -4.173 1.00 0.87 H new ATOM 570 N GLU A 37 1.241 -9.514 1.089 1.00 0.25 N ATOM 571 CA GLU A 37 0.721 -9.337 2.445 1.00 0.36 C ATOM 572 C GLU A 37 0.248 -10.663 3.038 1.00 0.30 C ATOM 573 O GLU A 37 0.394 -10.895 4.237 1.00 0.46 O ATOM 574 CB GLU A 37 -0.420 -8.312 2.468 1.00 0.54 C ATOM 575 CG GLU A 37 -0.946 -7.994 3.869 1.00 0.95 C ATOM 576 CD GLU A 37 0.001 -7.134 4.693 1.00 1.33 C ATOM 577 OE1 GLU A 37 1.225 -7.390 4.674 1.00 1.89 O1- ATOM 578 OE2 GLU A 37 -0.481 -6.195 5.377 1.00 1.87 O ATOM 0 H GLU A 37 0.530 -9.672 0.375 1.00 0.25 H new ATOM 0 HA GLU A 37 1.539 -8.961 3.059 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -0.074 -7.389 2.003 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.243 -8.687 1.859 1.00 0.54 H new ATOM 0 HG2 GLU A 37 -1.905 -7.483 3.781 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -1.130 -8.928 4.400 1.00 0.95 H new ATOM 585 N GLU A 38 -0.315 -11.539 2.211 1.00 0.30 N ATOM 586 CA GLU A 38 -0.809 -12.826 2.699 1.00 0.37 C ATOM 587 C GLU A 38 0.333 -13.787 3.024 1.00 0.34 C ATOM 588 O GLU A 38 0.319 -14.458 4.058 1.00 0.50 O ATOM 589 CB GLU A 38 -1.749 -13.466 1.672 1.00 0.55 C ATOM 590 CG GLU A 38 -2.714 -14.477 2.271 1.00 0.99 C ATOM 591 CD GLU A 38 -2.690 -15.812 1.548 1.00 1.34 C ATOM 592 OE1 GLU A 38 -1.605 -16.420 1.445 1.00 2.00 O1- ATOM 593 OE2 GLU A 38 -3.760 -16.264 1.084 1.00 1.89 O ATOM 0 H GLU A 38 -0.441 -11.386 1.210 1.00 0.30 H new ATOM 0 HA GLU A 38 -1.358 -12.632 3.620 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -2.321 -12.681 1.177 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -1.152 -13.958 0.904 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -2.465 -14.633 3.321 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -3.725 -14.070 2.240 1.00 0.99 H new ATOM 600 N VAL A 39 1.330 -13.843 2.151 1.00 0.33 N ATOM 601 CA VAL A 39 2.460 -14.746 2.350 1.00 0.37 C ATOM 602 C VAL A 39 3.684 -14.023 2.904 1.00 0.31 C ATOM 603 O VAL A 39 4.187 -14.368 3.971 1.00 0.43 O ATOM 604 CB VAL A 39 2.855 -15.450 1.034 1.00 0.48 C ATOM 605 CG1 VAL A 39 4.018 -16.404 1.258 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.666 -16.193 0.445 1.00 0.58 C ATOM 0 H VAL A 39 1.381 -13.279 1.303 1.00 0.33 H new ATOM 0 HA VAL A 39 2.129 -15.487 3.078 1.00 0.37 H new ATOM 0 HB VAL A 39 3.171 -14.685 0.324 1.00 0.48 H new ATOM 0 HG11 VAL A 39 4.278 -16.888 0.317 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.878 -15.848 1.630 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.732 -17.161 1.988 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.965 -16.682 -0.482 1.00 0.58 H new ATOM 0 HG22 VAL A 39 1.318 -16.943 1.155 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.861 -15.487 0.239 1.00 0.58 H new ATOM 616 N LEU A 40 4.154 -13.015 2.183 1.00 0.24 N ATOM 617 CA LEU A 40 5.344 -12.274 2.587 1.00 0.24 C ATOM 618 C LEU A 40 5.102 -11.418 3.826 1.00 0.23 C ATOM 619 O LEU A 40 5.984 -11.290 4.671 1.00 0.27 O ATOM 620 CB LEU A 40 5.836 -11.397 1.438 1.00 0.26 C ATOM 621 CG LEU A 40 6.276 -12.157 0.185 1.00 0.31 C ATOM 622 CD1 LEU A 40 6.889 -11.209 -0.827 1.00 0.35 C ATOM 623 CD2 LEU A 40 7.271 -13.245 0.539 1.00 0.41 C ATOM 0 H LEU A 40 3.730 -12.690 1.314 1.00 0.24 H new ATOM 0 HA LEU A 40 6.108 -13.009 2.841 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.040 -10.704 1.163 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.673 -10.796 1.793 1.00 0.26 H new ATOM 0 HG LEU A 40 5.392 -12.619 -0.255 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.195 -11.769 -1.711 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.154 -10.456 -1.111 1.00 0.35 H new ATOM 0 HD13 LEU A 40 7.759 -10.720 -0.388 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.571 -13.773 -0.366 1.00 0.41 H new ATOM 0 HD22 LEU A 40 8.149 -12.798 1.005 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.810 -13.948 1.233 1.00 0.41 H new ATOM 635 N HIS A 41 3.910 -10.835 3.924 1.00 0.20 N ATOM 636 CA HIS A 41 3.559 -9.974 5.057 1.00 0.23 C ATOM 637 C HIS A 41 4.459 -8.747 5.078 1.00 0.22 C ATOM 638 O HIS A 41 4.929 -8.330 6.137 1.00 0.28 O ATOM 639 CB HIS A 41 3.677 -10.725 6.390 1.00 0.30 C ATOM 640 CG HIS A 41 2.499 -11.589 6.704 1.00 0.42 C ATOM 641 ND1 HIS A 41 1.682 -11.387 7.797 1.00 0.82 N ATOM 642 CD2 HIS A 41 1.992 -12.664 6.058 1.00 0.62 C ATOM 643 CE1 HIS A 41 0.730 -12.299 7.809 1.00 0.84 C ATOM 644 NE2 HIS A 41 0.896 -13.087 6.767 1.00 0.68 N ATOM 0 H HIS A 41 3.168 -10.942 3.233 1.00 0.20 H new ATOM 0 HA HIS A 41 2.521 -9.665 4.932 1.00 0.23 H new ATOM 0 HB2 HIS A 41 4.574 -11.344 6.369 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.808 -10.000 7.194 1.00 0.30 H new ATOM 0 HD1 HIS A 41 1.797 -10.646 8.489 1.00 0.82 H new ATOM 0 HD2 HIS A 41 2.378 -13.107 5.152 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -0.053 -12.385 8.548 1.00 0.84 H new ATOM 653 N ILE A 42 4.693 -8.172 3.900 1.00 0.23 N ATOM 654 CA ILE A 42 5.549 -6.999 3.764 1.00 0.26 C ATOM 655 C ILE A 42 4.993 -5.816 4.550 1.00 0.27 C ATOM 656 O ILE A 42 5.661 -5.285 5.442 1.00 0.31 O ATOM 657 CB ILE A 42 5.726 -6.604 2.277 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.505 -7.690 1.521 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.429 -5.256 2.146 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.907 -7.919 2.047 1.00 0.41 C ATOM 0 H ILE A 42 4.297 -8.504 3.020 1.00 0.23 H new ATOM 0 HA ILE A 42 6.524 -7.263 4.174 1.00 0.26 H new ATOM 0 HB ILE A 42 4.735 -6.512 1.833 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.950 -8.626 1.576 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.563 -7.415 0.468 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.540 -5.004 1.091 1.00 0.37 H new ATOM 0 HG22 ILE A 42 5.837 -4.487 2.642 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.413 -5.312 2.611 1.00 0.37 H new ATOM 0 HD11 ILE A 42 8.392 -8.700 1.462 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.481 -6.996 1.967 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.858 -8.226 3.092 1.00 0.41 H new ATOM 672 N SER A 43 3.770 -5.419 4.227 1.00 0.33 N ATOM 673 CA SER A 43 3.130 -4.307 4.904 1.00 0.39 C ATOM 674 C SER A 43 2.966 -4.630 6.379 1.00 0.38 C ATOM 675 O SER A 43 3.253 -3.803 7.243 1.00 0.45 O ATOM 676 CB SER A 43 1.773 -4.031 4.271 1.00 0.50 C ATOM 677 OG SER A 43 1.832 -4.200 2.868 1.00 1.03 O ATOM 0 H SER A 43 3.203 -5.853 3.499 1.00 0.33 H new ATOM 0 HA SER A 43 3.752 -3.417 4.805 1.00 0.39 H new ATOM 0 HB2 SER A 43 1.026 -4.704 4.692 1.00 0.50 H new ATOM 0 HB3 SER A 43 1.456 -3.015 4.507 1.00 0.50 H new ATOM 0 HG SER A 43 2.429 -3.526 2.482 1.00 1.03 H new ATOM 683 N ASP A 44 2.522 -5.854 6.645 1.00 0.37 N ATOM 684 CA ASP A 44 2.313 -6.336 8.005 1.00 0.44 C ATOM 685 C ASP A 44 3.579 -6.190 8.842 1.00 0.41 C ATOM 686 O ASP A 44 3.527 -5.715 9.977 1.00 0.52 O ATOM 687 CB ASP A 44 1.856 -7.797 7.973 1.00 0.51 C ATOM 688 CG ASP A 44 1.605 -8.367 9.351 1.00 0.92 C ATOM 689 OD1 ASP A 44 0.923 -7.705 10.160 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 2.088 -9.484 9.634 1.00 1.73 O ATOM 0 H ASP A 44 2.297 -6.539 5.924 1.00 0.37 H new ATOM 0 HA ASP A 44 1.536 -5.729 8.470 1.00 0.44 H new ATOM 0 HB2 ASP A 44 0.943 -7.874 7.382 1.00 0.51 H new ATOM 0 HB3 ASP A 44 2.613 -8.398 7.469 1.00 0.51 H new ATOM 695 N ASN A 45 4.717 -6.561 8.269 1.00 0.33 N ATOM 696 CA ASN A 45 5.990 -6.466 8.978 1.00 0.37 C ATOM 697 C ASN A 45 6.397 -5.014 9.178 1.00 0.39 C ATOM 698 O ASN A 45 6.831 -4.634 10.264 1.00 0.48 O ATOM 699 CB ASN A 45 7.093 -7.215 8.223 1.00 0.38 C ATOM 700 CG ASN A 45 7.274 -8.630 8.732 1.00 0.68 C ATOM 701 OD1 ASN A 45 7.984 -8.867 9.707 1.00 1.19 O ATOM 702 ND2 ASN A 45 6.639 -9.582 8.070 1.00 1.12 N ATOM 0 H ASN A 45 4.786 -6.929 7.320 1.00 0.33 H new ATOM 0 HA ASN A 45 5.856 -6.929 9.956 1.00 0.37 H new ATOM 0 HB2 ASN A 45 6.851 -7.241 7.161 1.00 0.38 H new ATOM 0 HB3 ASN A 45 8.033 -6.672 8.323 1.00 0.38 H new ATOM 0 HD21 ASN A 45 6.729 -10.555 8.364 1.00 1.12 H new ATOM 0 HD22 ASN A 45 6.059 -9.344 7.265 1.00 1.12 H new ATOM 709 N VAL A 46 6.237 -4.205 8.132 1.00 0.33 N ATOM 710 CA VAL A 46 6.589 -2.786 8.196 1.00 0.36 C ATOM 711 C VAL A 46 5.795 -2.088 9.303 1.00 0.43 C ATOM 712 O VAL A 46 6.326 -1.237 10.011 1.00 0.49 O ATOM 713 CB VAL A 46 6.361 -2.070 6.838 1.00 0.33 C ATOM 714 CG1 VAL A 46 6.491 -0.557 6.977 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.343 -2.586 5.794 1.00 0.31 C ATOM 0 H VAL A 46 5.866 -4.507 7.231 1.00 0.33 H new ATOM 0 HA VAL A 46 7.653 -2.725 8.426 1.00 0.36 H new ATOM 0 HB VAL A 46 5.345 -2.293 6.513 1.00 0.33 H new ATOM 0 HG11 VAL A 46 6.325 -0.087 6.008 1.00 0.43 H new ATOM 0 HG12 VAL A 46 5.750 -0.192 7.688 1.00 0.43 H new ATOM 0 HG13 VAL A 46 7.490 -0.309 7.335 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.170 -2.074 4.847 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.363 -2.396 6.128 1.00 0.31 H new ATOM 0 HG23 VAL A 46 7.200 -3.658 5.658 1.00 0.31 H new ATOM 725 N LYS A 47 4.536 -2.494 9.475 1.00 0.46 N ATOM 726 CA LYS A 47 3.663 -1.920 10.500 1.00 0.56 C ATOM 727 C LYS A 47 4.289 -2.039 11.889 1.00 0.60 C ATOM 728 O LYS A 47 4.073 -1.190 12.753 1.00 0.70 O ATOM 729 CB LYS A 47 2.311 -2.642 10.521 1.00 0.61 C ATOM 730 CG LYS A 47 1.474 -2.480 9.262 1.00 0.70 C ATOM 731 CD LYS A 47 0.307 -3.462 9.256 1.00 0.88 C ATOM 732 CE LYS A 47 -0.171 -3.776 7.846 1.00 1.14 C ATOM 733 NZ LYS A 47 -0.946 -5.051 7.777 1.00 1.53 N1+ ATOM 0 H LYS A 47 4.096 -3.223 8.914 1.00 0.46 H new ATOM 0 HA LYS A 47 3.524 -0.868 10.251 1.00 0.56 H new ATOM 0 HB2 LYS A 47 2.487 -3.705 10.688 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.735 -2.277 11.371 1.00 0.61 H new ATOM 0 HG2 LYS A 47 1.096 -1.459 9.200 1.00 0.70 H new ATOM 0 HG3 LYS A 47 2.097 -2.643 8.383 1.00 0.70 H new ATOM 0 HD2 LYS A 47 0.609 -4.386 9.750 1.00 0.88 H new ATOM 0 HD3 LYS A 47 -0.519 -3.047 9.834 1.00 0.88 H new ATOM 0 HE2 LYS A 47 -0.793 -2.956 7.485 1.00 1.14 H new ATOM 0 HE3 LYS A 47 0.689 -3.841 7.180 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -0.791 -5.502 6.853 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -0.628 -5.692 8.532 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -1.959 -4.849 7.898 1.00 1.53 H new ATOM 747 N LYS A 48 5.062 -3.100 12.094 1.00 0.55 N ATOM 748 CA LYS A 48 5.693 -3.348 13.387 1.00 0.62 C ATOM 749 C LYS A 48 7.203 -3.140 13.327 1.00 0.61 C ATOM 750 O LYS A 48 7.916 -3.452 14.282 1.00 0.77 O ATOM 751 CB LYS A 48 5.385 -4.779 13.844 1.00 0.71 C ATOM 752 CG LYS A 48 3.907 -5.130 13.780 1.00 0.83 C ATOM 753 CD LYS A 48 3.689 -6.627 13.631 1.00 0.98 C ATOM 754 CE LYS A 48 2.540 -6.919 12.682 1.00 1.52 C ATOM 755 NZ LYS A 48 2.324 -8.376 12.482 1.00 2.02 N1+ ATOM 0 H LYS A 48 5.267 -3.802 11.383 1.00 0.55 H new ATOM 0 HA LYS A 48 5.286 -2.633 14.102 1.00 0.62 H new ATOM 0 HB2 LYS A 48 5.944 -5.479 13.223 1.00 0.71 H new ATOM 0 HB3 LYS A 48 5.738 -4.909 14.867 1.00 0.71 H new ATOM 0 HG2 LYS A 48 3.410 -4.778 14.684 1.00 0.83 H new ATOM 0 HG3 LYS A 48 3.446 -4.610 12.940 1.00 0.83 H new ATOM 0 HD2 LYS A 48 4.600 -7.095 13.259 1.00 0.98 H new ATOM 0 HD3 LYS A 48 3.480 -7.066 14.606 1.00 0.98 H new ATOM 0 HE2 LYS A 48 1.627 -6.470 13.073 1.00 1.52 H new ATOM 0 HE3 LYS A 48 2.740 -6.449 11.719 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 1.519 -8.523 11.840 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 3.179 -8.800 12.068 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 2.123 -8.826 13.398 1.00 2.02 H new ATOM 769 N LYS A 49 7.691 -2.606 12.218 1.00 0.53 N ATOM 770 CA LYS A 49 9.121 -2.380 12.059 1.00 0.54 C ATOM 771 C LYS A 49 9.420 -0.908 11.799 1.00 0.52 C ATOM 772 O LYS A 49 10.481 -0.565 11.278 1.00 0.64 O ATOM 773 CB LYS A 49 9.671 -3.239 10.919 1.00 0.58 C ATOM 774 CG LYS A 49 10.991 -3.915 11.250 1.00 0.78 C ATOM 775 CD LYS A 49 11.539 -4.687 10.059 1.00 0.87 C ATOM 776 CE LYS A 49 12.933 -5.234 10.334 1.00 1.19 C ATOM 777 NZ LYS A 49 12.906 -6.440 11.202 1.00 1.44 N1+ ATOM 0 H LYS A 49 7.123 -2.322 11.419 1.00 0.53 H new ATOM 0 HA LYS A 49 9.612 -2.667 12.989 1.00 0.54 H new ATOM 0 HB2 LYS A 49 8.936 -4.002 10.663 1.00 0.58 H new ATOM 0 HB3 LYS A 49 9.804 -2.614 10.036 1.00 0.58 H new ATOM 0 HG2 LYS A 49 11.717 -3.164 11.563 1.00 0.78 H new ATOM 0 HG3 LYS A 49 10.852 -4.594 12.091 1.00 0.78 H new ATOM 0 HD2 LYS A 49 10.866 -5.510 9.818 1.00 0.87 H new ATOM 0 HD3 LYS A 49 11.570 -4.035 9.186 1.00 0.87 H new ATOM 0 HE2 LYS A 49 13.417 -5.480 9.389 1.00 1.19 H new ATOM 0 HE3 LYS A 49 13.537 -4.461 10.809 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 13.868 -6.646 11.541 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 12.282 -6.268 12.016 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 12.550 -7.252 10.658 1.00 1.44 H new ATOM 791 N LEU A 50 8.492 -0.044 12.173 1.00 0.53 N ATOM 792 CA LEU A 50 8.670 1.388 11.976 1.00 0.54 C ATOM 793 C LEU A 50 9.001 2.079 13.298 1.00 0.54 C ATOM 794 O LEU A 50 8.636 1.584 14.365 1.00 0.59 O ATOM 795 CB LEU A 50 7.412 2.010 11.358 1.00 0.60 C ATOM 796 CG LEU A 50 7.211 1.740 9.867 1.00 0.64 C ATOM 797 CD1 LEU A 50 5.947 2.426 9.371 1.00 1.00 C ATOM 798 CD2 LEU A 50 8.420 2.204 9.069 1.00 0.91 C ATOM 0 H LEU A 50 7.610 -0.306 12.613 1.00 0.53 H new ATOM 0 HA LEU A 50 9.504 1.532 11.289 1.00 0.54 H new ATOM 0 HB2 LEU A 50 6.541 1.638 11.898 1.00 0.60 H new ATOM 0 HB3 LEU A 50 7.447 3.088 11.513 1.00 0.60 H new ATOM 0 HG LEU A 50 7.101 0.665 9.723 1.00 0.64 H new ATOM 0 HD11 LEU A 50 5.817 2.225 8.308 1.00 1.00 H new ATOM 0 HD12 LEU A 50 5.086 2.044 9.920 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.031 3.501 9.529 1.00 1.00 H new ATOM 0 HD21 LEU A 50 8.256 2.003 8.010 1.00 0.91 H new ATOM 0 HD22 LEU A 50 8.564 3.274 9.217 1.00 0.91 H new ATOM 0 HD23 LEU A 50 9.307 1.668 9.407 1.00 0.91 H new ATOM 810 N PRO A 51 9.715 3.218 13.245 1.00 0.57 N ATOM 811 CA PRO A 51 10.080 3.978 14.439 1.00 0.64 C ATOM 812 C PRO A 51 8.890 4.749 15.001 1.00 0.63 C ATOM 813 O PRO A 51 7.899 4.981 14.301 1.00 0.66 O ATOM 814 CB PRO A 51 11.160 4.956 13.944 1.00 0.73 C ATOM 815 CG PRO A 51 11.431 4.599 12.520 1.00 0.74 C ATOM 816 CD PRO A 51 10.229 3.852 12.027 1.00 0.61 C ATOM 0 HA PRO A 51 10.423 3.328 15.244 1.00 0.64 H new ATOM 0 HB2 PRO A 51 10.818 5.987 14.027 1.00 0.73 H new ATOM 0 HB3 PRO A 51 12.066 4.871 14.545 1.00 0.73 H new ATOM 0 HG2 PRO A 51 11.602 5.494 11.922 1.00 0.74 H new ATOM 0 HG3 PRO A 51 12.328 3.985 12.439 1.00 0.74 H new ATOM 0 HD2 PRO A 51 9.494 4.520 11.578 1.00 0.61 H new ATOM 0 HD3 PRO A 51 10.494 3.115 11.269 1.00 0.61 H new ATOM 824 N GLU A 52 8.987 5.150 16.260 1.00 0.71 N ATOM 825 CA GLU A 52 7.914 5.889 16.900 1.00 0.76 C ATOM 826 C GLU A 52 7.723 7.250 16.242 1.00 0.75 C ATOM 827 O GLU A 52 8.688 7.955 15.956 1.00 0.82 O ATOM 828 CB GLU A 52 8.209 6.067 18.382 1.00 0.88 C ATOM 829 CG GLU A 52 8.408 4.761 19.131 1.00 1.52 C ATOM 830 CD GLU A 52 8.333 4.948 20.627 1.00 1.98 C ATOM 831 OE1 GLU A 52 9.256 5.570 21.198 1.00 2.63 O ATOM 832 OE2 GLU A 52 7.342 4.489 21.236 1.00 2.38 O1- ATOM 0 H GLU A 52 9.796 4.976 16.856 1.00 0.71 H new ATOM 0 HA GLU A 52 6.993 5.318 16.785 1.00 0.76 H new ATOM 0 HB2 GLU A 52 9.104 6.678 18.493 1.00 0.88 H new ATOM 0 HB3 GLU A 52 7.388 6.617 18.842 1.00 0.88 H new ATOM 0 HG2 GLU A 52 7.649 4.044 18.817 1.00 1.52 H new ATOM 0 HG3 GLU A 52 9.376 4.336 18.867 1.00 1.52 H new ATOM 839 N GLY A 53 6.471 7.599 15.979 1.00 0.76 N ATOM 840 CA GLY A 53 6.176 8.877 15.359 1.00 0.77 C ATOM 841 C GLY A 53 5.958 8.745 13.867 1.00 0.72 C ATOM 842 O GLY A 53 5.383 9.633 13.231 1.00 0.82 O ATOM 0 H GLY A 53 5.655 7.022 16.183 1.00 0.76 H new ATOM 0 HA2 GLY A 53 5.286 9.307 15.819 1.00 0.77 H new ATOM 0 HA3 GLY A 53 6.997 9.569 15.546 1.00 0.77 H new ATOM 846 N VAL A 54 6.405 7.624 13.312 1.00 0.69 N ATOM 847 CA VAL A 54 6.277 7.364 11.888 1.00 0.65 C ATOM 848 C VAL A 54 5.035 6.524 11.596 1.00 0.65 C ATOM 849 O VAL A 54 4.847 5.455 12.173 1.00 0.74 O ATOM 850 CB VAL A 54 7.529 6.639 11.343 1.00 0.64 C ATOM 851 CG1 VAL A 54 7.373 6.321 9.861 1.00 0.85 C ATOM 852 CG2 VAL A 54 8.784 7.470 11.590 1.00 1.03 C ATOM 0 H VAL A 54 6.863 6.877 13.834 1.00 0.69 H new ATOM 0 HA VAL A 54 6.180 8.327 11.388 1.00 0.65 H new ATOM 0 HB VAL A 54 7.634 5.696 11.880 1.00 0.64 H new ATOM 0 HG11 VAL A 54 8.267 5.811 9.502 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.506 5.677 9.716 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.235 7.247 9.303 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.653 6.941 11.199 1.00 1.03 H new ATOM 0 HG22 VAL A 54 8.688 8.432 11.087 1.00 1.03 H new ATOM 0 HG23 VAL A 54 8.909 7.631 12.661 1.00 1.03 H new ATOM 862 N LYS A 55 4.188 7.018 10.703 1.00 0.64 N ATOM 863 CA LYS A 55 2.973 6.307 10.334 1.00 0.66 C ATOM 864 C LYS A 55 3.084 5.793 8.904 1.00 0.58 C ATOM 865 O LYS A 55 3.845 6.335 8.102 1.00 0.61 O ATOM 866 CB LYS A 55 1.744 7.216 10.470 1.00 0.76 C ATOM 867 CG LYS A 55 0.424 6.449 10.477 1.00 1.35 C ATOM 868 CD LYS A 55 -0.782 7.369 10.360 1.00 1.43 C ATOM 869 CE LYS A 55 -0.935 8.249 11.587 1.00 2.21 C ATOM 870 NZ LYS A 55 -2.356 8.565 11.873 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.320 7.907 10.222 1.00 0.64 H new ATOM 0 HA LYS A 55 2.852 5.462 11.012 1.00 0.66 H new ATOM 0 HB2 LYS A 55 1.827 7.792 11.392 1.00 0.76 H new ATOM 0 HB3 LYS A 55 1.737 7.931 9.647 1.00 0.76 H new ATOM 0 HG2 LYS A 55 0.416 5.737 9.651 1.00 1.35 H new ATOM 0 HG3 LYS A 55 0.348 5.870 11.398 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -0.678 7.995 9.474 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -1.684 6.772 10.225 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -0.495 7.748 12.449 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -0.381 9.176 11.439 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -2.414 9.168 12.719 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -2.770 9.066 11.061 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -2.881 7.683 12.040 1.00 2.51 H new ATOM 884 N MET A 56 2.326 4.750 8.597 1.00 0.55 N ATOM 885 CA MET A 56 2.333 4.153 7.270 1.00 0.50 C ATOM 886 C MET A 56 1.037 4.472 6.534 1.00 0.47 C ATOM 887 O MET A 56 -0.052 4.321 7.088 1.00 0.59 O ATOM 888 CB MET A 56 2.505 2.637 7.380 1.00 0.57 C ATOM 889 CG MET A 56 2.634 1.936 6.035 1.00 0.85 C ATOM 890 SD MET A 56 2.051 0.229 6.077 1.00 1.09 S ATOM 891 CE MET A 56 2.473 -0.293 4.420 1.00 1.28 C ATOM 0 H MET A 56 1.693 4.297 9.256 1.00 0.55 H new ATOM 0 HA MET A 56 3.168 4.571 6.707 1.00 0.50 H new ATOM 0 HB2 MET A 56 3.391 2.423 7.977 1.00 0.57 H new ATOM 0 HB3 MET A 56 1.652 2.221 7.916 1.00 0.57 H new ATOM 0 HG2 MET A 56 2.068 2.490 5.286 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.678 1.951 5.721 1.00 0.85 H new ATOM 0 HE1 MET A 56 1.561 -0.447 3.844 1.00 1.28 H new ATOM 0 HE2 MET A 56 3.080 0.475 3.940 1.00 1.28 H new ATOM 0 HE3 MET A 56 3.036 -1.225 4.465 1.00 1.28 H new ATOM 901 N THR A 57 1.165 4.916 5.294 1.00 0.42 N ATOM 902 CA THR A 57 0.011 5.248 4.480 1.00 0.43 C ATOM 903 C THR A 57 -0.019 4.390 3.215 1.00 0.41 C ATOM 904 O THR A 57 0.844 4.513 2.341 1.00 0.47 O ATOM 905 CB THR A 57 0.006 6.742 4.099 1.00 0.48 C ATOM 906 OG1 THR A 57 0.641 7.515 5.134 1.00 0.60 O ATOM 907 CG2 THR A 57 -1.419 7.239 3.885 1.00 0.61 C ATOM 0 H THR A 57 2.062 5.055 4.829 1.00 0.42 H new ATOM 0 HA THR A 57 -0.880 5.042 5.072 1.00 0.43 H new ATOM 0 HB THR A 57 0.559 6.861 3.168 1.00 0.48 H new ATOM 0 HG1 THR A 57 0.366 8.452 5.058 1.00 0.60 H new ATOM 0 HG21 THR A 57 -1.400 8.295 3.617 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.886 6.669 3.082 1.00 0.61 H new ATOM 0 HG23 THR A 57 -1.992 7.108 4.803 1.00 0.61 H new ATOM 915 N LYS A 58 -1.007 3.508 3.136 1.00 0.39 N ATOM 916 CA LYS A 58 -1.165 2.616 1.991 1.00 0.39 C ATOM 917 C LYS A 58 -2.175 3.209 1.006 1.00 0.37 C ATOM 918 O LYS A 58 -3.271 3.600 1.402 1.00 0.43 O ATOM 919 CB LYS A 58 -1.634 1.236 2.478 1.00 0.47 C ATOM 920 CG LYS A 58 -1.436 0.111 1.470 1.00 0.77 C ATOM 921 CD LYS A 58 -2.110 -1.177 1.928 1.00 0.84 C ATOM 922 CE LYS A 58 -1.143 -2.086 2.677 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.349 -2.956 1.762 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.718 3.390 3.858 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.209 2.504 1.480 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -1.097 0.986 3.393 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.692 1.295 2.735 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -1.842 0.411 0.504 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -0.370 -0.066 1.326 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -2.955 -0.936 2.573 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -2.510 -1.706 1.063 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -0.464 -1.476 3.273 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -1.703 -2.711 3.372 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 0.437 -3.388 2.289 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 -0.960 -3.704 1.377 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 0.031 -2.383 0.982 1.00 0.70 H new ATOM 937 N TYR A 59 -1.804 3.285 -0.267 1.00 0.36 N ATOM 938 CA TYR A 59 -2.680 3.846 -1.292 1.00 0.39 C ATOM 939 C TYR A 59 -3.031 2.813 -2.359 1.00 0.37 C ATOM 940 O TYR A 59 -2.343 1.804 -2.520 1.00 0.36 O ATOM 941 CB TYR A 59 -2.015 5.050 -1.957 1.00 0.45 C ATOM 942 CG TYR A 59 -2.153 6.358 -1.198 1.00 0.48 C ATOM 943 CD1 TYR A 59 -2.899 6.454 -0.021 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.539 7.510 -1.673 1.00 0.52 C ATOM 945 CE1 TYR A 59 -3.023 7.657 0.648 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.659 8.714 -1.005 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.403 8.780 0.152 1.00 0.62 C ATOM 948 OH TYR A 59 -2.527 9.976 0.818 1.00 0.71 O ATOM 0 H TYR A 59 -0.901 2.965 -0.616 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.600 4.158 -0.798 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -0.955 4.834 -2.089 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.441 5.178 -2.952 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -3.387 5.574 0.372 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -0.957 7.464 -2.581 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -3.604 7.715 1.556 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -1.172 9.598 -1.388 1.00 0.60 H new ATOM 0 HH TYR A 59 -2.029 10.671 0.339 1.00 0.71 H new ATOM 958 N HIS A 60 -4.099 3.086 -3.091 1.00 0.39 N ATOM 959 CA HIS A 60 -4.564 2.203 -4.149 1.00 0.40 C ATOM 960 C HIS A 60 -4.362 2.861 -5.513 1.00 0.42 C ATOM 961 O HIS A 60 -4.704 4.028 -5.697 1.00 0.46 O ATOM 962 CB HIS A 60 -6.047 1.880 -3.933 1.00 0.44 C ATOM 963 CG HIS A 60 -6.598 0.826 -4.849 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.264 1.118 -6.017 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.578 -0.524 -4.759 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.638 -0.001 -6.602 1.00 0.51 C ATOM 967 NE2 HIS A 60 -7.234 -1.017 -5.860 1.00 0.57 N ATOM 0 H HIS A 60 -4.667 3.924 -2.969 1.00 0.39 H new ATOM 0 HA HIS A 60 -3.988 1.278 -4.122 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.188 1.556 -2.902 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.627 2.794 -4.062 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.441 2.057 -6.375 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -6.129 -1.106 -3.968 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.183 -0.076 -7.531 1.00 0.51 H new ATOM 976 N VAL A 61 -3.809 2.112 -6.462 1.00 0.44 N ATOM 977 CA VAL A 61 -3.570 2.629 -7.810 1.00 0.48 C ATOM 978 C VAL A 61 -4.818 2.463 -8.679 1.00 0.49 C ATOM 979 O VAL A 61 -5.705 1.671 -8.357 1.00 0.51 O ATOM 980 CB VAL A 61 -2.362 1.936 -8.486 1.00 0.52 C ATOM 981 CG1 VAL A 61 -1.206 1.794 -7.504 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.749 0.577 -9.051 1.00 0.55 C ATOM 0 H VAL A 61 -3.517 1.144 -6.325 1.00 0.44 H new ATOM 0 HA VAL A 61 -3.338 3.690 -7.713 1.00 0.48 H new ATOM 0 HB VAL A 61 -2.040 2.565 -9.316 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.367 1.305 -7.998 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -0.898 2.781 -7.159 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.525 1.194 -6.651 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -1.879 0.116 -9.519 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -3.109 -0.063 -8.245 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.537 0.703 -9.794 1.00 0.55 H new ATOM 992 N ASN A 62 -4.878 3.194 -9.785 1.00 0.54 N ATOM 993 CA ASN A 62 -6.037 3.126 -10.671 1.00 0.57 C ATOM 994 C ASN A 62 -5.697 2.516 -12.026 1.00 0.58 C ATOM 995 O ASN A 62 -6.422 2.722 -12.997 1.00 0.76 O ATOM 996 CB ASN A 62 -6.635 4.522 -10.875 1.00 0.67 C ATOM 997 CG ASN A 62 -7.687 4.864 -9.840 1.00 0.69 C ATOM 998 OD1 ASN A 62 -8.312 3.981 -9.257 1.00 0.77 O ATOM 999 ND2 ASN A 62 -7.907 6.150 -9.615 1.00 0.93 N ATOM 0 H ASN A 62 -4.146 3.836 -10.090 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.767 2.477 -10.187 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -5.837 5.264 -10.835 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -7.077 4.582 -11.870 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -8.615 6.436 -8.939 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.368 6.855 -10.118 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.613 1.755 -12.101 1.00 0.54 N ATOM 1007 CA PHE A 63 -4.224 1.137 -13.367 1.00 0.55 C ATOM 1008 C PHE A 63 -4.186 -0.387 -13.262 1.00 0.54 C ATOM 1009 O PHE A 63 -3.612 -1.067 -14.113 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.875 1.686 -13.865 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.733 1.564 -12.889 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -0.996 0.393 -12.801 1.00 0.62 C ATOM 1013 CD2 PHE A 63 -1.386 2.629 -12.074 1.00 0.65 C ATOM 1014 CE1 PHE A 63 0.066 0.288 -11.922 1.00 0.70 C ATOM 1015 CE2 PHE A 63 -0.328 2.530 -11.192 1.00 0.74 C ATOM 1016 CZ PHE A 63 0.400 1.359 -11.116 1.00 0.74 C ATOM 0 H PHE A 63 -3.995 1.551 -11.316 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.986 1.398 -14.101 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.605 1.164 -14.783 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -3.001 2.738 -14.122 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.255 -0.448 -13.427 1.00 0.62 H new ATOM 0 HD2 PHE A 63 -1.950 3.548 -12.129 1.00 0.65 H new ATOM 0 HE1 PHE A 63 0.633 -0.629 -11.866 1.00 0.70 H new ATOM 0 HE2 PHE A 63 -0.070 3.368 -10.562 1.00 0.74 H new ATOM 0 HZ PHE A 63 1.229 1.281 -10.428 1.00 0.74 H new ATOM 1026 N MET A 64 -4.811 -0.918 -12.222 1.00 0.52 N ATOM 1027 CA MET A 64 -4.849 -2.361 -12.015 1.00 0.53 C ATOM 1028 C MET A 64 -6.249 -2.819 -11.636 1.00 0.55 C ATOM 1029 O MET A 64 -6.707 -2.587 -10.516 1.00 0.60 O ATOM 1030 CB MET A 64 -3.852 -2.781 -10.930 1.00 0.57 C ATOM 1031 CG MET A 64 -2.426 -2.922 -11.438 1.00 0.64 C ATOM 1032 SD MET A 64 -2.253 -4.183 -12.721 1.00 1.06 S ATOM 1033 CE MET A 64 -2.424 -5.686 -11.766 1.00 1.09 C ATOM 0 H MET A 64 -5.298 -0.375 -11.509 1.00 0.52 H new ATOM 0 HA MET A 64 -4.568 -2.838 -12.954 1.00 0.53 H new ATOM 0 HB2 MET A 64 -3.872 -2.046 -10.126 1.00 0.57 H new ATOM 0 HB3 MET A 64 -4.172 -3.731 -10.502 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.090 -1.963 -11.832 1.00 0.64 H new ATOM 0 HG3 MET A 64 -1.772 -3.170 -10.602 1.00 0.64 H new ATOM 0 HE1 MET A 64 -2.303 -6.549 -12.421 1.00 1.09 H new ATOM 0 HE2 MET A 64 -1.661 -5.711 -10.988 1.00 1.09 H new ATOM 0 HE3 MET A 64 -3.412 -5.715 -11.307 1.00 1.09 H new ATOM 1043 N GLY A 65 -6.920 -3.475 -12.577 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.263 -3.963 -12.332 1.00 0.64 C ATOM 1045 C GLY A 65 -9.298 -3.277 -13.198 1.00 0.66 C ATOM 1046 O GLY A 65 -10.500 -3.379 -12.943 1.00 0.78 O ATOM 0 H GLY A 65 -6.555 -3.678 -13.508 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.295 -5.037 -12.516 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.515 -3.812 -11.282 1.00 0.64 H new ATOM 1050 N GLY A 66 -8.837 -2.571 -14.216 1.00 0.65 N ATOM 1051 CA GLY A 66 -9.747 -1.884 -15.102 1.00 0.71 C ATOM 1052 C GLY A 66 -10.254 -0.593 -14.498 1.00 0.75 C ATOM 1053 O GLY A 66 -9.550 0.054 -13.720 1.00 0.81 O ATOM 0 H GLY A 66 -7.849 -2.462 -14.444 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -9.244 -1.671 -16.045 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.591 -2.534 -15.331 1.00 0.71 H new ATOM 1057 N ASP A 67 -11.484 -0.225 -14.828 1.00 0.84 N ATOM 1058 CA ASP A 67 -12.073 1.001 -14.309 1.00 0.96 C ATOM 1059 C ASP A 67 -12.635 0.783 -12.911 1.00 0.91 C ATOM 1060 O ASP A 67 -12.829 1.735 -12.154 1.00 0.93 O ATOM 1061 CB ASP A 67 -13.167 1.521 -15.236 1.00 1.19 C ATOM 1062 CG ASP A 67 -13.300 3.026 -15.143 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -12.313 3.730 -15.439 1.00 2.46 O ATOM 1064 OD2 ASP A 67 -14.387 3.515 -14.776 1.00 2.47 O1- ATOM 0 H ASP A 67 -12.092 -0.756 -15.451 1.00 0.84 H new ATOM 0 HA ASP A 67 -11.282 1.749 -14.256 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -12.941 1.237 -16.264 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -14.117 1.054 -14.978 1.00 1.19 H new ATOM 1069 N LEU A 68 -12.870 -0.484 -12.564 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.394 -0.844 -11.246 1.00 0.89 C ATOM 1071 C LEU A 68 -12.373 -0.492 -10.167 1.00 0.79 C ATOM 1072 O LEU A 68 -12.693 -0.422 -8.978 1.00 0.82 O ATOM 1073 CB LEU A 68 -13.735 -2.340 -11.199 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.393 -2.830 -9.901 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -15.746 -2.165 -9.681 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -14.534 -4.343 -9.923 1.00 1.07 C ATOM 0 H LEU A 68 -12.705 -1.280 -13.180 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.307 -0.279 -11.061 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -14.400 -2.569 -12.031 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -12.819 -2.908 -11.358 1.00 0.96 H new ATOM 0 HG LEU A 68 -13.749 -2.550 -9.067 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.186 -2.533 -8.754 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -15.614 -1.085 -9.616 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -16.407 -2.401 -10.515 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.002 -4.678 -8.997 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.153 -4.638 -10.770 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -13.548 -4.799 -10.017 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.134 -0.269 -10.601 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.079 0.106 -9.687 1.00 0.65 C ATOM 1090 C GLY A 69 -10.362 1.444 -9.034 1.00 0.64 C ATOM 1091 O GLY A 69 -9.977 1.674 -7.888 1.00 0.63 O ATOM 0 H GLY A 69 -10.846 -0.343 -11.577 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -9.972 -0.660 -8.919 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.131 0.154 -10.223 1.00 0.65 H new ATOM 1095 N LYS A 70 -11.068 2.314 -9.760 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.410 3.639 -9.253 1.00 0.71 C ATOM 1097 C LYS A 70 -12.322 3.516 -8.041 1.00 0.73 C ATOM 1098 O LYS A 70 -12.125 4.188 -7.030 1.00 0.74 O ATOM 1099 CB LYS A 70 -12.092 4.489 -10.337 1.00 0.79 C ATOM 1100 CG LYS A 70 -11.125 5.289 -11.196 1.00 0.89 C ATOM 1101 CD LYS A 70 -10.750 4.548 -12.468 1.00 1.35 C ATOM 1102 CE LYS A 70 -9.939 5.434 -13.399 1.00 1.83 C ATOM 1103 NZ LYS A 70 -10.093 5.033 -14.821 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.413 2.122 -10.701 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.486 4.137 -8.960 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.678 3.834 -10.982 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -12.791 5.176 -9.859 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -11.576 6.247 -11.454 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -10.224 5.505 -10.623 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -10.175 3.657 -12.217 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -11.654 4.212 -12.977 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -10.253 6.471 -13.278 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -8.886 5.386 -13.120 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -9.209 4.601 -15.157 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -10.869 4.346 -14.906 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -10.309 5.872 -15.397 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.310 2.637 -8.148 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.251 2.404 -7.062 1.00 0.81 C ATOM 1119 C ASP A 71 -13.511 1.892 -5.834 1.00 0.75 C ATOM 1120 O ASP A 71 -13.773 2.317 -4.710 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.326 1.396 -7.483 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.226 1.922 -8.587 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -16.636 3.102 -8.524 1.00 1.65 O1- ATOM 1124 OD2 ASP A 71 -16.530 1.155 -9.527 1.00 1.58 O ATOM 0 H ASP A 71 -13.480 2.072 -8.980 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.739 3.348 -6.820 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -14.845 0.478 -7.820 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -15.935 1.138 -6.616 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.561 0.991 -6.067 1.00 0.70 N ATOM 1130 CA LEU A 72 -11.763 0.420 -4.991 1.00 0.67 C ATOM 1131 C LEU A 72 -10.880 1.488 -4.343 1.00 0.61 C ATOM 1132 O LEU A 72 -10.603 1.435 -3.148 1.00 0.60 O ATOM 1133 CB LEU A 72 -10.895 -0.725 -5.522 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.650 -2.005 -5.895 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -10.760 -2.934 -6.704 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -12.155 -2.717 -4.647 1.00 1.17 C ATOM 0 H LEU A 72 -12.326 0.641 -6.996 1.00 0.70 H new ATOM 0 HA LEU A 72 -12.444 0.029 -4.235 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -10.356 -0.372 -6.401 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.147 -0.971 -4.768 1.00 0.66 H new ATOM 0 HG LEU A 72 -12.509 -1.725 -6.505 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.314 -3.837 -6.959 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -10.445 -2.431 -7.618 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -9.882 -3.201 -6.115 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -12.688 -3.623 -4.936 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -11.310 -2.980 -4.011 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -12.829 -2.058 -4.100 1.00 1.17 H new ATOM 1148 N THR A 73 -10.442 2.453 -5.143 1.00 0.60 N ATOM 1149 CA THR A 73 -9.604 3.541 -4.655 1.00 0.57 C ATOM 1150 C THR A 73 -10.403 4.452 -3.729 1.00 0.62 C ATOM 1151 O THR A 73 -9.910 4.888 -2.683 1.00 0.62 O ATOM 1152 CB THR A 73 -9.022 4.352 -5.830 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.225 3.490 -6.651 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.168 5.511 -5.336 1.00 0.56 C ATOM 0 H THR A 73 -10.655 2.504 -6.139 1.00 0.60 H new ATOM 0 HA THR A 73 -8.776 3.109 -4.093 1.00 0.57 H new ATOM 0 HB THR A 73 -9.851 4.763 -6.406 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.444 3.642 -7.594 1.00 0.56 H new ATOM 0 HG21 THR A 73 -7.773 6.062 -6.190 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.777 6.177 -4.725 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.341 5.125 -4.739 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.646 4.715 -4.106 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.519 5.555 -3.307 1.00 0.73 C ATOM 1164 C GLN A 74 -12.911 4.821 -2.025 1.00 0.72 C ATOM 1165 O GLN A 74 -12.903 5.400 -0.940 1.00 0.74 O ATOM 1166 CB GLN A 74 -13.770 5.940 -4.100 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.513 7.132 -3.520 1.00 0.90 C ATOM 1168 CD GLN A 74 -14.565 8.306 -4.475 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -13.715 8.444 -5.357 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -15.549 9.171 -4.297 1.00 1.21 N ATOM 0 H GLN A 74 -12.071 4.357 -4.962 1.00 0.67 H new ATOM 0 HA GLN A 74 -11.985 6.469 -3.047 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.484 6.165 -5.127 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.445 5.085 -4.137 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.529 6.832 -3.263 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.028 7.442 -2.594 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -16.233 9.020 -3.555 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -15.625 9.989 -4.902 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.228 3.536 -2.164 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.610 2.706 -1.026 1.00 0.70 C ATOM 1181 C ALA A 75 -12.466 2.593 -0.026 1.00 0.64 C ATOM 1182 O ALA A 75 -12.681 2.623 1.185 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.028 1.326 -1.507 1.00 0.71 C ATOM 0 H ALA A 75 -13.228 3.046 -3.058 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.454 3.179 -0.523 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.311 0.713 -0.652 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -14.877 1.418 -2.184 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.196 0.856 -2.031 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.250 2.475 -0.538 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.073 2.375 0.309 1.00 0.54 C ATOM 1191 C TRP A 76 -9.911 3.643 1.139 1.00 0.56 C ATOM 1192 O TRP A 76 -9.546 3.585 2.314 1.00 0.55 O ATOM 1193 CB TRP A 76 -8.824 2.126 -0.536 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.593 1.930 0.288 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.500 2.743 0.329 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.331 0.856 1.200 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.579 2.249 1.214 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.061 1.088 1.758 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.045 -0.276 1.598 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.492 0.229 2.694 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.477 -1.131 2.523 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.213 -0.873 3.061 1.00 0.46 C ATOM 0 H TRP A 76 -11.053 2.446 -1.538 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.203 1.530 0.986 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -8.982 1.245 -1.158 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.673 2.969 -1.210 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.378 3.645 -0.252 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.679 2.677 1.433 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.024 -0.480 1.190 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.517 0.426 3.115 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.018 -2.012 2.835 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -5.797 -1.560 3.783 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.196 4.791 0.527 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.099 6.063 1.225 1.00 0.65 C ATOM 1215 C ALA A 77 -11.102 6.101 2.373 1.00 0.69 C ATOM 1216 O ALA A 77 -10.831 6.668 3.434 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.328 7.218 0.264 1.00 0.70 C ATOM 0 H ALA A 77 -10.494 4.862 -0.446 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.095 6.166 1.637 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.252 8.162 0.804 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -9.576 7.190 -0.525 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.321 7.132 -0.178 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.252 5.473 2.155 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.295 5.399 3.164 1.00 0.75 C ATOM 1225 C VAL A 78 -12.796 4.587 4.357 1.00 0.71 C ATOM 1226 O VAL A 78 -12.969 4.977 5.515 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.577 4.745 2.598 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -15.603 4.503 3.692 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.171 5.599 1.488 1.00 0.84 C ATOM 0 H VAL A 78 -12.484 5.005 1.279 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.537 6.414 3.478 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.299 3.777 2.180 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.492 4.043 3.261 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.180 3.840 4.447 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -15.874 5.453 4.154 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.072 5.121 1.104 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.422 6.584 1.882 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.445 5.705 0.682 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.144 3.467 4.059 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.606 2.595 5.093 1.00 0.63 C ATOM 1241 C ALA A 79 -10.557 3.319 5.928 1.00 0.63 C ATOM 1242 O ALA A 79 -10.501 3.142 7.145 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.018 1.329 4.478 1.00 0.59 C ATOM 0 H ALA A 79 -11.976 3.143 3.106 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.426 2.311 5.752 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.621 0.691 5.268 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -11.796 0.793 3.935 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.215 1.597 3.791 1.00 0.59 H new ATOM 1249 N MET A 80 -9.742 4.147 5.276 1.00 0.63 N ATOM 1250 CA MET A 80 -8.694 4.904 5.961 1.00 0.66 C ATOM 1251 C MET A 80 -9.287 5.918 6.933 1.00 0.73 C ATOM 1252 O MET A 80 -8.651 6.295 7.917 1.00 0.79 O ATOM 1253 CB MET A 80 -7.792 5.616 4.948 1.00 0.65 C ATOM 1254 CG MET A 80 -6.674 4.738 4.413 1.00 1.08 C ATOM 1255 SD MET A 80 -5.484 5.653 3.410 1.00 1.04 S ATOM 1256 CE MET A 80 -6.532 6.243 2.085 1.00 1.02 C ATOM 0 H MET A 80 -9.787 4.311 4.270 1.00 0.63 H new ATOM 0 HA MET A 80 -8.095 4.194 6.531 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.400 5.965 4.114 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.358 6.499 5.417 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.154 4.270 5.249 1.00 1.08 H new ATOM 0 HG3 MET A 80 -7.104 3.934 3.815 1.00 1.08 H new ATOM 0 HE1 MET A 80 -5.912 6.624 1.273 1.00 1.02 H new ATOM 0 HE2 MET A 80 -7.149 5.423 1.717 1.00 1.02 H new ATOM 0 HE3 MET A 80 -7.174 7.042 2.457 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.508 6.351 6.661 1.00 0.76 N ATOM 1267 CA ALA A 81 -11.180 7.312 7.523 1.00 0.84 C ATOM 1268 C ALA A 81 -11.881 6.604 8.676 1.00 0.87 C ATOM 1269 O ALA A 81 -12.018 7.152 9.769 1.00 0.99 O ATOM 1270 CB ALA A 81 -12.173 8.138 6.722 1.00 0.89 C ATOM 0 H ALA A 81 -11.053 6.053 5.852 1.00 0.76 H new ATOM 0 HA ALA A 81 -10.429 7.982 7.941 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -12.667 8.852 7.381 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -11.646 8.676 5.934 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -12.918 7.479 6.276 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.303 5.370 8.428 1.00 0.80 N ATOM 1277 CA LEU A 82 -13.000 4.580 9.434 1.00 0.82 C ATOM 1278 C LEU A 82 -12.018 3.902 10.388 1.00 0.81 C ATOM 1279 O LEU A 82 -12.294 3.770 11.582 1.00 0.88 O ATOM 1280 CB LEU A 82 -13.894 3.536 8.760 1.00 0.82 C ATOM 1281 CG LEU A 82 -15.013 4.110 7.889 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -15.635 3.022 7.033 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -16.075 4.784 8.748 1.00 0.97 C ATOM 0 H LEU A 82 -12.174 4.894 7.535 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.622 5.256 10.021 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.270 2.888 8.144 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.340 2.909 9.532 1.00 0.82 H new ATOM 0 HG LEU A 82 -14.578 4.862 7.230 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -16.429 3.450 6.421 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -14.873 2.587 6.387 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.051 2.246 7.676 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -16.861 5.185 8.107 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.504 4.055 9.435 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -15.622 5.596 9.317 1.00 0.97 H new ATOM 1295 N GLY A 83 -10.874 3.474 9.856 1.00 0.75 N ATOM 1296 CA GLY A 83 -9.866 2.821 10.678 1.00 0.74 C ATOM 1297 C GLY A 83 -9.984 1.308 10.655 1.00 0.72 C ATOM 1298 O GLY A 83 -9.527 0.625 11.573 1.00 0.78 O ATOM 0 H GLY A 83 -10.627 3.568 8.871 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -8.875 3.110 10.328 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -9.957 3.173 11.706 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.589 0.779 9.602 1.00 0.67 N ATOM 1303 CA VAL A 84 -10.771 -0.667 9.467 1.00 0.65 C ATOM 1304 C VAL A 84 -10.109 -1.184 8.196 1.00 0.59 C ATOM 1305 O VAL A 84 -10.400 -2.290 7.742 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.266 -1.056 9.461 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -12.868 -0.876 10.845 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -13.033 -0.234 8.437 1.00 0.73 C ATOM 0 H VAL A 84 -10.964 1.325 8.826 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.296 -1.128 10.333 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.344 -2.107 9.183 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -13.922 -1.155 10.823 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.340 -1.511 11.557 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -12.775 0.166 11.150 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -14.083 -0.525 8.450 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -12.946 0.825 8.682 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.620 -0.412 7.444 1.00 0.73 H new ATOM 1318 N GLU A 85 -9.191 -0.383 7.660 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.471 -0.709 6.424 1.00 0.55 C ATOM 1320 C GLU A 85 -7.811 -2.080 6.500 1.00 0.53 C ATOM 1321 O GLU A 85 -8.121 -2.972 5.710 1.00 0.56 O ATOM 1322 CB GLU A 85 -7.384 0.336 6.127 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.584 1.674 6.818 1.00 0.81 C ATOM 1324 CD GLU A 85 -7.122 1.669 8.264 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -6.828 0.577 8.798 1.00 1.67 O1- ATOM 1326 OE2 GLU A 85 -7.072 2.756 8.873 1.00 1.71 O ATOM 0 H GLU A 85 -8.923 0.512 8.068 1.00 0.58 H new ATOM 0 HA GLU A 85 -9.213 -0.712 5.626 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.417 -0.070 6.425 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -7.342 0.501 5.050 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -7.040 2.444 6.271 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -8.640 1.942 6.780 1.00 0.81 H new ATOM 1333 N ASP A 86 -6.907 -2.232 7.461 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.166 -3.480 7.654 1.00 0.62 C ATOM 1335 C ASP A 86 -7.096 -4.677 7.850 1.00 0.64 C ATOM 1336 O ASP A 86 -6.807 -5.784 7.392 1.00 0.87 O ATOM 1337 CB ASP A 86 -5.230 -3.345 8.865 1.00 0.74 C ATOM 1338 CG ASP A 86 -4.561 -4.649 9.256 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -5.175 -5.426 10.022 1.00 1.75 O1- ATOM 1340 OD2 ASP A 86 -3.418 -4.898 8.813 1.00 1.91 O ATOM 0 H ASP A 86 -6.665 -1.499 8.128 1.00 0.57 H new ATOM 0 HA ASP A 86 -5.584 -3.661 6.750 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -4.463 -2.604 8.641 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -5.799 -2.968 9.715 1.00 0.74 H new ATOM 1345 N LYS A 87 -8.220 -4.449 8.512 1.00 0.59 N ATOM 1346 CA LYS A 87 -9.168 -5.517 8.788 1.00 0.63 C ATOM 1347 C LYS A 87 -9.954 -5.921 7.542 1.00 0.60 C ATOM 1348 O LYS A 87 -10.134 -7.113 7.282 1.00 0.67 O ATOM 1349 CB LYS A 87 -10.115 -5.109 9.916 1.00 0.70 C ATOM 1350 CG LYS A 87 -9.388 -4.695 11.191 1.00 0.79 C ATOM 1351 CD LYS A 87 -8.503 -5.815 11.723 1.00 1.48 C ATOM 1352 CE LYS A 87 -7.548 -5.310 12.787 1.00 1.85 C ATOM 1353 NZ LYS A 87 -6.449 -4.501 12.199 1.00 2.28 N1+ ATOM 0 H LYS A 87 -8.498 -3.534 8.868 1.00 0.59 H new ATOM 0 HA LYS A 87 -8.597 -6.390 9.105 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -10.739 -4.282 9.577 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -10.783 -5.941 10.140 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -8.779 -3.813 10.993 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -10.117 -4.415 11.951 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -9.126 -6.607 12.138 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -7.936 -6.253 10.902 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -8.096 -4.708 13.512 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -7.127 -6.156 13.330 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -5.667 -4.430 12.881 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -6.109 -4.958 11.329 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -6.801 -3.548 11.975 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.411 -4.951 6.762 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.175 -5.268 5.559 1.00 0.55 C ATOM 1369 C VAL A 88 -10.265 -5.654 4.394 1.00 0.50 C ATOM 1370 O VAL A 88 -10.745 -6.020 3.327 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.102 -4.112 5.124 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.173 -3.868 6.176 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.309 -2.843 4.865 1.00 0.56 C ATOM 0 H VAL A 88 -10.271 -3.955 6.934 1.00 0.56 H new ATOM 0 HA VAL A 88 -11.797 -6.123 5.823 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.588 -4.399 4.192 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.819 -3.050 5.855 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -13.769 -4.772 6.305 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -12.700 -3.607 7.123 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.987 -2.046 4.560 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.788 -2.548 5.775 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.582 -3.023 4.073 1.00 0.56 H new ATOM 1383 N THR A 89 -8.956 -5.591 4.611 1.00 0.48 N ATOM 1384 CA THR A 89 -7.987 -5.938 3.577 1.00 0.44 C ATOM 1385 C THR A 89 -8.159 -7.383 3.097 1.00 0.43 C ATOM 1386 O THR A 89 -8.220 -7.640 1.891 1.00 0.44 O ATOM 1387 CB THR A 89 -6.541 -5.736 4.086 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.294 -4.342 4.312 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.519 -6.269 3.093 1.00 0.79 C ATOM 0 H THR A 89 -8.540 -5.302 5.496 1.00 0.48 H new ATOM 0 HA THR A 89 -8.171 -5.271 2.735 1.00 0.44 H new ATOM 0 HB THR A 89 -6.438 -6.292 5.018 1.00 0.45 H new ATOM 0 HG1 THR A 89 -6.981 -3.981 4.910 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.514 -6.110 3.484 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.684 -7.335 2.939 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.626 -5.744 2.144 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.261 -8.320 4.036 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.406 -9.733 3.690 1.00 0.49 C ATOM 1399 C VAL A 90 -9.687 -10.005 2.882 1.00 0.50 C ATOM 1400 O VAL A 90 -9.602 -10.501 1.758 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.364 -10.648 4.935 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -8.329 -12.114 4.522 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.172 -10.308 5.823 1.00 0.57 C ATOM 0 H VAL A 90 -8.246 -8.129 5.038 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.548 -9.973 3.062 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.272 -10.476 5.512 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -8.300 -12.742 5.412 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -9.221 -12.350 3.941 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -7.442 -12.300 3.917 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.166 -10.966 6.692 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.249 -10.442 5.260 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -7.248 -9.272 6.153 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.890 -9.691 3.421 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.155 -9.918 2.705 1.00 0.57 C ATOM 1415 C PRO A 91 -12.170 -9.262 1.324 1.00 0.57 C ATOM 1416 O PRO A 91 -12.757 -9.795 0.384 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.222 -9.290 3.612 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.477 -8.478 4.614 1.00 0.58 C ATOM 1419 CD PRO A 91 -11.129 -9.125 4.757 1.00 0.54 C ATOM 0 HA PRO A 91 -12.321 -10.979 2.519 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.907 -8.668 3.036 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.822 -10.058 4.100 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.380 -7.444 4.283 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -13.003 -8.459 5.568 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.361 -8.402 5.032 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -11.131 -9.896 5.527 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.510 -8.111 1.207 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.437 -7.402 -0.064 1.00 0.55 C ATOM 1429 C LEU A 92 -10.625 -8.202 -1.073 1.00 0.54 C ATOM 1430 O LEU A 92 -11.092 -8.472 -2.176 1.00 0.59 O ATOM 1431 CB LEU A 92 -10.820 -6.013 0.121 1.00 0.54 C ATOM 1432 CG LEU A 92 -11.812 -4.905 0.479 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.085 -3.722 1.094 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -12.601 -4.472 -0.750 1.00 0.79 C ATOM 0 H LEU A 92 -11.020 -7.653 1.976 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.452 -7.282 -0.442 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.064 -6.070 0.904 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.306 -5.735 -0.799 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.516 -5.296 1.214 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -11.805 -2.942 1.343 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -10.569 -4.042 1.999 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -10.359 -3.331 0.382 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -13.301 -3.683 -0.474 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -11.915 -4.098 -1.510 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.153 -5.324 -1.147 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.414 -8.591 -0.684 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.542 -9.373 -1.553 1.00 0.48 C ATOM 1448 C PHE A 93 -9.223 -10.671 -1.958 1.00 0.54 C ATOM 1449 O PHE A 93 -9.215 -11.053 -3.134 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.220 -9.684 -0.850 1.00 0.44 C ATOM 1451 CG PHE A 93 -6.097 -8.762 -1.232 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.694 -8.651 -2.553 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.436 -8.021 -0.269 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.652 -7.819 -2.905 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.397 -7.180 -0.617 1.00 0.43 C ATOM 1456 CZ PHE A 93 -4.004 -7.081 -1.937 1.00 0.41 C ATOM 0 H PHE A 93 -9.014 -8.376 0.230 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.337 -8.783 -2.447 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.371 -9.630 0.228 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.930 -10.709 -1.080 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.202 -9.223 -3.316 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.735 -8.101 0.766 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.344 -7.746 -3.938 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -3.893 -6.601 0.142 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.190 -6.426 -2.211 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.816 -11.340 -0.978 1.00 0.55 N ATOM 1467 CA GLU A 94 -10.509 -12.591 -1.218 1.00 0.62 C ATOM 1468 C GLU A 94 -11.694 -12.372 -2.149 1.00 0.66 C ATOM 1469 O GLU A 94 -11.842 -13.066 -3.150 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.997 -13.203 0.097 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.880 -13.616 1.044 1.00 0.66 C ATOM 1472 CD GLU A 94 -10.301 -14.735 1.972 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -11.520 -14.986 2.101 1.00 1.70 O ATOM 1474 OE2 GLU A 94 -9.421 -15.396 2.558 1.00 1.46 O1- ATOM 0 H GLU A 94 -9.829 -11.032 -0.006 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.806 -13.279 -1.687 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.640 -12.483 0.603 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -11.610 -14.076 -0.127 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -9.014 -13.934 0.464 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -9.570 -12.754 1.635 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.498 -11.367 -1.843 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.677 -11.077 -2.636 1.00 0.71 C ATOM 1483 C GLY A 95 -13.362 -10.585 -4.039 1.00 0.73 C ATOM 1484 O GLY A 95 -14.261 -10.424 -4.852 1.00 0.82 O ATOM 0 H GLY A 95 -12.354 -10.740 -1.051 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -14.289 -11.977 -2.704 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -14.274 -10.324 -2.122 1.00 0.71 H new ATOM 1488 N VAL A 96 -12.093 -10.341 -4.329 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.708 -9.863 -5.651 1.00 0.67 C ATOM 1490 C VAL A 96 -11.051 -10.959 -6.487 1.00 0.69 C ATOM 1491 O VAL A 96 -11.441 -11.185 -7.632 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.760 -8.644 -5.564 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.144 -8.325 -6.919 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.508 -7.431 -5.037 1.00 0.65 C ATOM 0 H VAL A 96 -11.319 -10.464 -3.676 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.631 -9.558 -6.144 1.00 0.67 H new ATOM 0 HB VAL A 96 -9.954 -8.897 -4.875 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.483 -7.464 -6.824 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.572 -9.184 -7.270 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -10.935 -8.099 -7.634 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -10.828 -6.581 -4.981 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.333 -7.193 -5.708 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -11.900 -7.648 -4.043 1.00 0.65 H new ATOM 1504 N GLN A 97 -10.074 -11.654 -5.914 1.00 0.66 N ATOM 1505 CA GLN A 97 -9.357 -12.701 -6.646 1.00 0.68 C ATOM 1506 C GLN A 97 -9.866 -14.104 -6.315 1.00 0.75 C ATOM 1507 O GLN A 97 -10.166 -14.892 -7.214 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.862 -12.631 -6.329 1.00 0.63 C ATOM 1509 CG GLN A 97 -7.200 -11.324 -6.736 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.731 -11.282 -6.366 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -5.036 -12.298 -6.400 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.254 -10.107 -5.997 1.00 0.55 N ATOM 0 H GLN A 97 -9.760 -11.516 -4.953 1.00 0.66 H new ATOM 0 HA GLN A 97 -9.535 -12.520 -7.706 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.722 -12.779 -5.258 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -7.356 -13.454 -6.833 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -7.305 -11.186 -7.812 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.717 -10.493 -6.256 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.865 -9.290 -5.983 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.275 -10.016 -5.726 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.965 -14.403 -5.026 1.00 0.74 N ATOM 1522 CA LYS A 98 -10.385 -15.726 -4.576 1.00 0.81 C ATOM 1523 C LYS A 98 -11.858 -16.006 -4.879 1.00 0.88 C ATOM 1524 O LYS A 98 -12.175 -16.809 -5.750 1.00 1.03 O ATOM 1525 CB LYS A 98 -10.123 -15.885 -3.075 1.00 0.76 C ATOM 1526 CG LYS A 98 -9.974 -17.333 -2.633 1.00 0.88 C ATOM 1527 CD LYS A 98 -9.955 -17.448 -1.118 1.00 1.03 C ATOM 1528 CE LYS A 98 -11.353 -17.309 -0.542 1.00 1.34 C ATOM 1529 NZ LYS A 98 -11.370 -17.511 0.931 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.760 -13.747 -4.272 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.793 -16.454 -5.132 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -9.217 -15.339 -2.813 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -10.943 -15.427 -2.521 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -10.797 -17.925 -3.035 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -9.053 -17.748 -3.043 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -9.533 -18.410 -0.828 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -9.308 -16.677 -0.700 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -11.745 -16.320 -0.777 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -12.014 -18.035 -1.015 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -11.988 -18.314 1.164 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -10.405 -17.708 1.265 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -11.728 -16.652 1.395 1.00 1.41 H new ATOM 1543 N THR A 99 -12.748 -15.337 -4.166 1.00 0.82 N ATOM 1544 CA THR A 99 -14.178 -15.542 -4.334 1.00 0.94 C ATOM 1545 C THR A 99 -14.731 -14.797 -5.549 1.00 0.98 C ATOM 1546 O THR A 99 -15.678 -15.265 -6.184 1.00 1.08 O ATOM 1547 CB THR A 99 -14.930 -15.101 -3.065 1.00 0.96 C ATOM 1548 OG1 THR A 99 -13.987 -14.798 -2.026 1.00 0.95 O ATOM 1549 CG2 THR A 99 -15.869 -16.195 -2.584 1.00 1.31 C ATOM 0 H THR A 99 -12.504 -14.642 -3.460 1.00 0.82 H new ATOM 0 HA THR A 99 -14.333 -16.608 -4.503 1.00 0.94 H new ATOM 0 HB THR A 99 -15.518 -14.215 -3.306 1.00 0.96 H new ATOM 0 HG1 THR A 99 -14.468 -14.516 -1.220 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.389 -15.860 -1.686 1.00 1.31 H new ATOM 0 HG22 THR A 99 -16.598 -16.418 -3.363 1.00 1.31 H new ATOM 0 HG23 THR A 99 -15.295 -17.093 -2.357 1.00 1.31 H new ATOM 1557 N GLN A 100 -14.135 -13.646 -5.865 1.00 0.90 N ATOM 1558 CA GLN A 100 -14.563 -12.823 -6.998 1.00 0.94 C ATOM 1559 C GLN A 100 -15.982 -12.287 -6.782 1.00 1.01 C ATOM 1560 O GLN A 100 -16.727 -12.049 -7.739 1.00 1.10 O ATOM 1561 CB GLN A 100 -14.491 -13.614 -8.306 1.00 1.01 C ATOM 1562 CG GLN A 100 -13.088 -14.066 -8.665 1.00 0.99 C ATOM 1563 CD GLN A 100 -13.076 -15.152 -9.719 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -13.972 -15.233 -10.563 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -12.055 -15.994 -9.683 1.00 1.44 N ATOM 0 H GLN A 100 -13.346 -13.260 -5.346 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.881 -11.976 -7.068 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -15.137 -14.489 -8.228 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -14.884 -12.999 -9.115 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -12.516 -13.211 -9.024 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -12.587 -14.430 -7.768 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -11.335 -15.892 -8.968 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -11.989 -16.745 -10.370 1.00 1.44 H new ATOM 1574 N THR A 101 -16.337 -12.098 -5.516 1.00 1.00 N ATOM 1575 CA THR A 101 -17.646 -11.592 -5.140 1.00 1.08 C ATOM 1576 C THR A 101 -17.808 -10.126 -5.532 1.00 1.03 C ATOM 1577 O THR A 101 -18.905 -9.677 -5.867 1.00 1.12 O ATOM 1578 CB THR A 101 -17.854 -11.723 -3.622 1.00 1.14 C ATOM 1579 OG1 THR A 101 -16.914 -12.669 -3.084 1.00 1.20 O ATOM 1580 CG2 THR A 101 -19.271 -12.168 -3.308 1.00 1.57 C ATOM 0 H THR A 101 -15.724 -12.292 -4.724 1.00 1.00 H new ATOM 0 HA THR A 101 -18.389 -12.186 -5.671 1.00 1.08 H new ATOM 0 HB THR A 101 -17.691 -10.747 -3.164 1.00 1.14 H new ATOM 0 HG1 THR A 101 -17.048 -12.749 -2.116 1.00 1.20 H new ATOM 0 HG21 THR A 101 -19.395 -12.254 -2.228 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.977 -11.435 -3.697 1.00 1.57 H new ATOM 0 HG23 THR A 101 -19.460 -13.136 -3.773 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.703 -9.398 -5.516 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.714 -7.982 -5.840 1.00 0.88 C ATOM 1590 C ILE A 102 -16.527 -7.746 -7.329 1.00 0.87 C ATOM 1591 O ILE A 102 -15.432 -7.912 -7.866 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.620 -7.226 -5.063 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.778 -7.476 -3.564 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.684 -5.732 -5.363 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.553 -7.112 -2.756 1.00 0.79 C ATOM 0 H ILE A 102 -15.782 -9.768 -5.280 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.692 -7.600 -5.546 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.646 -7.596 -5.382 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.629 -6.902 -3.196 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -16.010 -8.529 -3.402 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -14.903 -5.215 -4.805 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.536 -5.569 -6.430 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.659 -5.343 -5.068 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -14.739 -7.316 -1.702 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.704 -7.704 -3.096 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -14.332 -6.053 -2.887 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.613 -7.382 -7.987 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.596 -7.079 -9.414 1.00 0.95 C ATOM 1609 C ARG A 103 -18.115 -5.663 -9.629 1.00 0.96 C ATOM 1610 O ARG A 103 -17.989 -5.089 -10.712 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.455 -8.082 -10.192 1.00 1.07 C ATOM 1612 CG ARG A 103 -17.901 -9.497 -10.194 1.00 1.12 C ATOM 1613 CD ARG A 103 -16.554 -9.578 -10.897 1.00 1.44 C ATOM 1614 NE ARG A 103 -16.028 -10.944 -10.926 1.00 1.88 N ATOM 1615 CZ ARG A 103 -14.875 -11.286 -11.500 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -14.107 -10.361 -12.062 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -14.487 -12.553 -11.505 1.00 3.22 N ATOM 0 H ARG A 103 -18.531 -7.287 -7.552 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.573 -7.155 -9.783 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.457 -8.096 -9.764 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -18.553 -7.739 -11.222 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -17.796 -9.847 -9.167 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -18.609 -10.163 -10.687 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -16.655 -9.208 -11.917 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -15.842 -8.927 -10.391 1.00 1.44 H new ATOM 0 HE ARG A 103 -16.577 -11.678 -10.480 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -14.398 -9.384 -12.056 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -13.225 -10.628 -12.500 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -15.071 -13.267 -11.069 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -13.604 -12.814 -11.944 1.00 3.22 H new ATOM 1631 N SER A 104 -18.692 -5.113 -8.568 1.00 0.97 N ATOM 1632 CA SER A 104 -19.245 -3.772 -8.581 1.00 1.01 C ATOM 1633 C SER A 104 -19.010 -3.104 -7.225 1.00 0.98 C ATOM 1634 O SER A 104 -18.693 -3.781 -6.245 1.00 0.94 O ATOM 1635 CB SER A 104 -20.742 -3.846 -8.895 1.00 1.13 C ATOM 1636 OG SER A 104 -21.274 -5.119 -8.539 1.00 1.51 O ATOM 0 H SER A 104 -18.788 -5.590 -7.672 1.00 0.97 H new ATOM 0 HA SER A 104 -18.752 -3.176 -9.349 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.271 -3.062 -8.353 1.00 1.13 H new ATOM 0 HB3 SER A 104 -20.904 -3.664 -9.957 1.00 1.13 H new ATOM 0 HG SER A 104 -20.860 -5.425 -7.705 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.163 -1.786 -7.165 1.00 1.02 N ATOM 1643 CA ALA A 105 -18.968 -1.044 -5.917 1.00 1.02 C ATOM 1644 C ALA A 105 -19.980 -1.470 -4.859 1.00 1.05 C ATOM 1645 O ALA A 105 -19.729 -1.356 -3.657 1.00 1.03 O ATOM 1646 CB ALA A 105 -19.059 0.452 -6.171 1.00 1.08 C ATOM 0 H ALA A 105 -19.421 -1.206 -7.963 1.00 1.02 H new ATOM 0 HA ALA A 105 -17.972 -1.274 -5.539 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -18.912 0.990 -5.234 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -18.289 0.748 -6.884 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -20.041 0.693 -6.577 1.00 1.08 H new ATOM 1652 N SER A 106 -21.115 -1.969 -5.323 1.00 1.12 N ATOM 1653 CA SER A 106 -22.176 -2.435 -4.449 1.00 1.17 C ATOM 1654 C SER A 106 -21.681 -3.578 -3.572 1.00 1.09 C ATOM 1655 O SER A 106 -22.091 -3.716 -2.418 1.00 1.09 O ATOM 1656 CB SER A 106 -23.350 -2.899 -5.308 1.00 1.28 C ATOM 1657 OG SER A 106 -23.155 -2.511 -6.660 1.00 1.43 O ATOM 0 H SER A 106 -21.325 -2.062 -6.317 1.00 1.12 H new ATOM 0 HA SER A 106 -22.494 -1.622 -3.796 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.450 -3.983 -5.244 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.278 -2.470 -4.930 1.00 1.28 H new ATOM 0 HG SER A 106 -23.914 -2.816 -7.200 1.00 1.43 H new ATOM 1663 N ASP A 107 -20.775 -4.378 -4.121 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.221 -5.511 -3.394 1.00 0.99 C ATOM 1665 C ASP A 107 -19.271 -5.028 -2.313 1.00 0.91 C ATOM 1666 O ASP A 107 -19.243 -5.572 -1.210 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.496 -6.463 -4.340 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.357 -6.883 -5.513 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.420 -7.507 -5.284 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -19.984 -6.579 -6.670 1.00 1.89 O ATOM 0 H ASP A 107 -20.409 -4.262 -5.066 1.00 1.05 H new ATOM 0 HA ASP A 107 -21.045 -6.051 -2.928 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.591 -5.982 -4.712 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -19.182 -7.349 -3.788 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.497 -3.992 -2.632 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.557 -3.417 -1.676 1.00 0.84 C ATOM 1677 C ILE A 108 -18.327 -2.874 -0.481 1.00 0.86 C ATOM 1678 O ILE A 108 -17.894 -2.983 0.665 1.00 0.83 O ATOM 1679 CB ILE A 108 -16.732 -2.265 -2.289 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.296 -2.592 -3.721 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.516 -1.979 -1.423 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.650 -1.425 -4.441 1.00 0.90 C ATOM 0 H ILE A 108 -18.503 -3.535 -3.544 1.00 0.90 H new ATOM 0 HA ILE A 108 -16.869 -4.208 -1.378 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.365 -1.378 -2.326 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.595 -3.426 -3.697 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -17.165 -2.923 -4.290 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -14.940 -1.165 -1.863 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -15.841 -1.694 -0.422 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -14.894 -2.872 -1.362 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.367 -1.730 -5.448 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.356 -0.597 -4.498 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.761 -1.108 -3.895 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.484 -2.296 -0.779 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.365 -1.731 0.233 1.00 0.94 C ATOM 1696 C ARG A 109 -20.755 -2.797 1.252 1.00 0.94 C ATOM 1697 O ARG A 109 -20.662 -2.577 2.456 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.615 -1.151 -0.436 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.448 -0.259 0.470 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.634 0.320 -0.286 1.00 1.12 C ATOM 1701 NE ARG A 109 -24.464 1.177 0.554 1.00 1.24 N ATOM 1702 CZ ARG A 109 -25.427 0.727 1.358 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -25.659 -0.580 1.465 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -26.162 1.585 2.049 1.00 1.94 N ATOM 0 H ARG A 109 -19.838 -2.206 -1.731 1.00 0.91 H new ATOM 0 HA ARG A 109 -19.839 -0.932 0.756 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.312 -0.578 -1.312 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.238 -1.972 -0.791 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -22.802 -0.832 1.327 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -21.830 0.549 0.860 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -23.273 0.893 -1.140 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.241 -0.494 -0.682 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.297 2.183 0.524 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -25.098 -1.243 0.930 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -26.397 -0.918 2.082 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -25.990 2.587 1.965 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -26.900 1.244 2.665 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.155 -3.966 0.755 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.562 -5.074 1.619 1.00 0.97 C ATOM 1720 C ASP A 110 -20.391 -5.555 2.469 1.00 0.92 C ATOM 1721 O ASP A 110 -20.576 -5.943 3.622 1.00 0.92 O ATOM 1722 CB ASP A 110 -22.112 -6.235 0.786 1.00 1.01 C ATOM 1723 CG ASP A 110 -22.746 -7.314 1.643 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -23.717 -7.010 2.375 1.00 1.85 O1- ATOM 1725 OD2 ASP A 110 -22.294 -8.478 1.573 1.00 1.95 O ATOM 0 H ASP A 110 -21.206 -4.171 -0.243 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.349 -4.712 2.280 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -22.851 -5.854 0.081 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -21.305 -6.670 0.197 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.191 -5.521 1.898 1.00 0.88 N ATOM 1731 CA VAL A 111 -17.985 -5.940 2.611 1.00 0.84 C ATOM 1732 C VAL A 111 -17.749 -5.047 3.828 1.00 0.84 C ATOM 1733 O VAL A 111 -17.433 -5.529 4.920 1.00 0.84 O ATOM 1734 CB VAL A 111 -16.745 -5.902 1.689 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -15.456 -6.095 2.477 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -16.857 -6.961 0.607 1.00 0.86 C ATOM 0 H VAL A 111 -19.026 -5.207 0.942 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.136 -6.968 2.941 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.711 -4.917 1.223 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -14.605 -6.063 1.796 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.359 -5.300 3.217 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -15.480 -7.060 2.982 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -15.976 -6.921 -0.034 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -16.926 -7.946 1.068 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -17.749 -6.777 0.009 1.00 0.86 H new ATOM 1746 N PHE A 112 -17.924 -3.745 3.639 1.00 0.84 N ATOM 1747 CA PHE A 112 -17.748 -2.782 4.718 1.00 0.85 C ATOM 1748 C PHE A 112 -18.793 -3.009 5.806 1.00 0.89 C ATOM 1749 O PHE A 112 -18.488 -2.946 6.998 1.00 0.92 O ATOM 1750 CB PHE A 112 -17.839 -1.354 4.180 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.525 -0.802 3.711 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -15.984 -1.196 2.495 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -15.831 0.113 4.483 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -14.776 -0.685 2.062 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.624 0.625 4.055 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.097 0.223 2.843 1.00 0.79 C ATOM 0 H PHE A 112 -18.189 -3.331 2.745 1.00 0.84 H new ATOM 0 HA PHE A 112 -16.758 -2.924 5.152 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.549 -1.331 3.353 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.238 -0.706 4.960 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -16.513 -1.910 1.881 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.239 0.430 5.431 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.365 -0.997 1.113 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -14.092 1.339 4.666 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.151 0.622 2.508 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.024 -3.285 5.390 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.107 -3.537 6.338 1.00 0.97 C ATOM 1768 C ILE A 113 -20.810 -4.806 7.135 1.00 0.99 C ATOM 1769 O ILE A 113 -21.164 -4.921 8.311 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.479 -3.695 5.632 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -22.712 -2.581 4.601 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -23.614 -3.713 6.650 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -22.523 -1.184 5.143 1.00 1.33 C ATOM 0 H ILE A 113 -20.298 -3.340 4.409 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.165 -2.673 7.000 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.465 -4.649 5.104 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -22.030 -2.729 3.763 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -23.725 -2.672 4.208 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -24.566 -3.825 6.131 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.474 -4.548 7.336 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -23.614 -2.779 7.211 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -22.706 -0.458 4.351 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -23.223 -1.013 5.961 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -21.503 -1.071 5.509 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.119 -5.744 6.496 1.00 0.97 N ATOM 1786 CA ASN A 114 -19.765 -7.013 7.126 1.00 1.00 C ATOM 1787 C ASN A 114 -18.728 -6.817 8.230 1.00 0.99 C ATOM 1788 O ASN A 114 -18.527 -7.697 9.066 1.00 1.02 O ATOM 1789 CB ASN A 114 -19.224 -7.990 6.083 1.00 1.01 C ATOM 1790 CG ASN A 114 -20.279 -8.956 5.574 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -20.439 -10.058 6.103 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -20.996 -8.554 4.540 1.00 1.93 N ATOM 0 H ASN A 114 -19.790 -5.649 5.535 1.00 0.97 H new ATOM 0 HA ASN A 114 -20.670 -7.423 7.574 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -18.818 -7.428 5.242 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -18.399 -8.556 6.516 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -21.714 -9.164 4.150 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -20.831 -7.634 4.132 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.071 -5.663 8.225 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.053 -5.354 9.225 1.00 0.97 C ATOM 1801 C ALA A 115 -17.643 -4.579 10.398 1.00 1.01 C ATOM 1802 O ALA A 115 -16.961 -4.322 11.392 1.00 1.10 O ATOM 1803 CB ALA A 115 -15.911 -4.567 8.595 1.00 0.94 C ATOM 0 H ALA A 115 -18.225 -4.924 7.539 1.00 0.97 H new ATOM 0 HA ALA A 115 -16.665 -6.298 9.607 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.161 -4.345 9.354 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -15.458 -5.158 7.799 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.296 -3.635 8.181 1.00 0.94 H new ATOM 1809 N GLY A 116 -18.913 -4.212 10.284 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.565 -3.471 11.352 1.00 1.05 C ATOM 1811 C GLY A 116 -19.851 -2.029 10.972 1.00 1.06 C ATOM 1812 O GLY A 116 -20.325 -1.242 11.793 1.00 1.15 O ATOM 0 H GLY A 116 -19.503 -4.412 9.476 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -20.500 -3.966 11.614 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -18.934 -3.490 12.240 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.556 -1.676 9.728 1.00 1.01 N ATOM 1817 CA ILE A 117 -19.793 -0.325 9.244 1.00 1.02 C ATOM 1818 C ILE A 117 -21.260 -0.163 8.873 1.00 1.04 C ATOM 1819 O ILE A 117 -21.861 -1.067 8.294 1.00 1.06 O ATOM 1820 CB ILE A 117 -18.903 0.000 8.021 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -17.424 -0.191 8.373 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -19.148 1.420 7.529 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -16.965 0.608 9.579 1.00 1.61 C ATOM 0 H ILE A 117 -19.152 -2.308 9.036 1.00 1.01 H new ATOM 0 HA ILE A 117 -19.536 0.372 10.042 1.00 1.02 H new ATOM 0 HB ILE A 117 -19.167 -0.688 7.218 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.240 -1.249 8.560 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -16.818 0.090 7.512 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.510 1.622 6.669 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -20.193 1.529 7.239 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -18.917 2.126 8.326 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -15.907 0.417 9.761 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -17.114 1.671 9.389 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -17.543 0.311 10.454 1.00 1.61 H new ATOM 1835 N LYS A 118 -21.841 0.970 9.231 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.240 1.236 8.934 1.00 1.12 C ATOM 1837 C LYS A 118 -23.417 1.574 7.453 1.00 1.11 C ATOM 1838 O LYS A 118 -22.508 2.124 6.824 1.00 1.07 O ATOM 1839 CB LYS A 118 -23.745 2.387 9.802 1.00 1.18 C ATOM 1840 CG LYS A 118 -23.322 2.291 11.259 1.00 1.29 C ATOM 1841 CD LYS A 118 -23.188 3.669 11.888 1.00 1.83 C ATOM 1842 CE LYS A 118 -22.705 3.578 13.326 1.00 1.95 C ATOM 1843 NZ LYS A 118 -22.452 4.919 13.922 1.00 2.73 N1+ ATOM 0 H LYS A 118 -21.365 1.722 9.729 1.00 1.08 H new ATOM 0 HA LYS A 118 -23.822 0.342 9.155 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -23.380 3.328 9.389 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -24.833 2.417 9.751 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -24.054 1.705 11.815 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -22.371 1.763 11.330 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -22.490 4.270 11.306 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -24.151 4.180 11.858 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -23.448 3.051 13.924 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -21.789 2.988 13.363 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -22.125 4.807 14.903 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -21.724 5.413 13.368 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -23.331 5.475 13.912 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.591 1.258 6.914 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.866 1.521 5.513 1.00 1.19 C ATOM 1859 C GLY A 119 -24.724 2.984 5.155 1.00 1.19 C ATOM 1860 O GLY A 119 -23.977 3.335 4.238 1.00 1.19 O ATOM 0 H GLY A 119 -25.359 0.823 7.425 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -24.186 0.933 4.897 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.877 1.190 5.277 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.406 3.844 5.904 1.00 1.23 N ATOM 1865 CA GLU A 120 -25.361 5.278 5.658 1.00 1.27 C ATOM 1866 C GLU A 120 -23.976 5.854 5.941 1.00 1.20 C ATOM 1867 O GLU A 120 -23.630 6.921 5.433 1.00 1.22 O ATOM 1868 CB GLU A 120 -26.414 6.001 6.503 1.00 1.35 C ATOM 1869 CG GLU A 120 -27.821 5.857 5.955 1.00 1.80 C ATOM 1870 CD GLU A 120 -28.787 6.861 6.550 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -28.724 8.052 6.177 1.00 2.98 O ATOM 1872 OE2 GLU A 120 -29.627 6.462 7.383 1.00 2.88 O1- ATOM 0 H GLU A 120 -25.998 3.570 6.688 1.00 1.23 H new ATOM 0 HA GLU A 120 -25.581 5.436 4.602 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -26.385 5.610 7.520 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -26.160 7.059 6.561 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -27.799 5.979 4.872 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -28.183 4.848 6.155 1.00 1.80 H new ATOM 1879 N GLU A 121 -23.185 5.139 6.735 1.00 1.16 N ATOM 1880 CA GLU A 121 -21.836 5.586 7.077 1.00 1.12 C ATOM 1881 C GLU A 121 -20.948 5.531 5.843 1.00 1.07 C ATOM 1882 O GLU A 121 -20.256 6.499 5.508 1.00 1.07 O ATOM 1883 CB GLU A 121 -21.244 4.712 8.184 1.00 1.10 C ATOM 1884 CG GLU A 121 -19.977 5.279 8.803 1.00 1.15 C ATOM 1885 CD GLU A 121 -20.256 6.499 9.652 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -20.934 6.356 10.689 1.00 1.97 O ATOM 1887 OE2 GLU A 121 -19.810 7.605 9.287 1.00 2.52 O1- ATOM 0 H GLU A 121 -23.453 4.248 7.154 1.00 1.16 H new ATOM 0 HA GLU A 121 -21.890 6.613 7.438 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -21.991 4.578 8.967 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -21.028 3.724 7.777 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -19.499 4.514 9.415 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -19.274 5.541 8.013 1.00 1.15 H new ATOM 1894 N TYR A 122 -20.989 4.394 5.164 1.00 1.04 N ATOM 1895 CA TYR A 122 -20.214 4.187 3.954 1.00 1.01 C ATOM 1896 C TYR A 122 -20.736 5.093 2.845 1.00 1.05 C ATOM 1897 O TYR A 122 -19.959 5.701 2.107 1.00 1.05 O ATOM 1898 CB TYR A 122 -20.299 2.718 3.525 1.00 1.00 C ATOM 1899 CG TYR A 122 -19.527 2.392 2.262 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.169 2.117 2.305 1.00 1.50 C ATOM 1901 CD2 TYR A 122 -20.166 2.346 1.028 1.00 1.30 C ATOM 1902 CE1 TYR A 122 -17.464 1.805 1.157 1.00 1.51 C ATOM 1903 CE2 TYR A 122 -19.469 2.035 -0.127 1.00 1.28 C ATOM 1904 CZ TYR A 122 -18.121 1.767 -0.055 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.427 1.450 -1.201 1.00 0.95 O ATOM 0 H TYR A 122 -21.559 3.593 5.437 1.00 1.04 H new ATOM 0 HA TYR A 122 -19.171 4.435 4.149 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -19.927 2.092 4.336 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -21.346 2.455 3.375 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -17.652 2.147 3.253 1.00 1.50 H new ATOM 0 HD2 TYR A 122 -21.224 2.556 0.970 1.00 1.30 H new ATOM 0 HE1 TYR A 122 -16.406 1.593 1.209 1.00 1.51 H new ATOM 0 HE2 TYR A 122 -19.980 2.003 -1.078 1.00 1.28 H new ATOM 0 HH TYR A 122 -17.285 2.261 -1.732 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.058 5.182 2.744 1.00 1.11 N ATOM 1916 CA ASP A 123 -22.704 6.018 1.734 1.00 1.18 C ATOM 1917 C ASP A 123 -22.290 7.481 1.886 1.00 1.18 C ATOM 1918 O ASP A 123 -22.029 8.173 0.899 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.229 5.904 1.839 1.00 1.25 C ATOM 1920 CG ASP A 123 -24.764 4.570 1.351 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -24.084 3.903 0.543 1.00 2.30 O1- ATOM 1922 OD2 ASP A 123 -25.874 4.183 1.771 1.00 2.25 O ATOM 0 H ASP A 123 -22.708 4.683 3.352 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.383 5.663 0.755 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -24.527 6.050 2.877 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -24.688 6.706 1.260 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.235 7.946 3.132 1.00 1.18 N ATOM 1928 CA ALA A 124 -21.850 9.321 3.419 1.00 1.20 C ATOM 1929 C ALA A 124 -20.388 9.554 3.083 1.00 1.17 C ATOM 1930 O ALA A 124 -20.041 10.537 2.434 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.104 9.653 4.884 1.00 1.21 C ATOM 0 H ALA A 124 -22.453 7.388 3.958 1.00 1.18 H new ATOM 0 HA ALA A 124 -22.459 9.977 2.797 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -21.810 10.684 5.080 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.164 9.529 5.107 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -21.520 8.983 5.515 1.00 1.21 H new ATOM 1937 N ALA A 125 -19.537 8.631 3.514 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.104 8.732 3.276 1.00 1.06 C ATOM 1939 C ALA A 125 -17.787 8.780 1.788 1.00 1.08 C ATOM 1940 O ALA A 125 -16.946 9.565 1.358 1.00 1.11 O ATOM 1941 CB ALA A 125 -17.383 7.573 3.940 1.00 1.02 C ATOM 0 H ALA A 125 -19.818 7.799 4.033 1.00 1.09 H new ATOM 0 HA ALA A 125 -17.753 9.666 3.715 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -16.312 7.658 3.756 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -17.570 7.595 5.014 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -17.749 6.633 3.528 1.00 1.02 H new ATOM 1947 N TRP A 126 -18.485 7.961 1.010 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.282 7.906 -0.439 1.00 1.10 C ATOM 1949 C TRP A 126 -18.477 9.282 -1.081 1.00 1.21 C ATOM 1950 O TRP A 126 -17.840 9.606 -2.085 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.252 6.897 -1.062 1.00 1.12 C ATOM 1952 CG TRP A 126 -18.981 6.616 -2.513 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -19.496 7.280 -3.590 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.135 5.591 -3.045 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -19.015 6.736 -4.752 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.182 5.696 -4.449 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.339 4.598 -2.475 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -17.465 4.846 -5.287 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -16.632 3.748 -3.308 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -16.700 3.879 -4.701 1.00 0.96 C ATOM 0 H TRP A 126 -19.200 7.322 1.357 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.256 7.589 -0.626 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.198 5.962 -0.504 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.270 7.273 -0.958 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -20.182 8.112 -3.534 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -19.243 7.056 -5.693 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.275 4.494 -1.402 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -17.512 4.948 -6.361 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -16.018 2.971 -2.877 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.136 3.201 -5.324 1.00 0.96 H new ATOM 1971 N ASN A 127 -19.343 10.093 -0.485 1.00 1.27 N ATOM 1972 CA ASN A 127 -19.634 11.424 -1.008 1.00 1.39 C ATOM 1973 C ASN A 127 -19.091 12.506 -0.074 1.00 1.41 C ATOM 1974 O ASN A 127 -19.566 13.645 -0.086 1.00 1.53 O ATOM 1975 CB ASN A 127 -21.146 11.600 -1.196 1.00 1.49 C ATOM 1976 CG ASN A 127 -21.720 10.688 -2.270 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -21.692 11.018 -3.455 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -22.260 9.541 -1.867 1.00 1.49 N ATOM 0 H ASN A 127 -19.857 9.852 0.362 1.00 1.27 H new ATOM 0 HA ASN A 127 -19.141 11.526 -1.975 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -21.650 11.401 -0.250 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -21.356 12.637 -1.457 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -22.669 8.902 -2.549 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -22.265 9.300 -0.876 1.00 1.49 H new ATOM 1985 N SER A 128 -18.096 12.149 0.729 1.00 1.34 N ATOM 1986 CA SER A 128 -17.497 13.089 1.666 1.00 1.37 C ATOM 1987 C SER A 128 -16.301 13.813 1.051 1.00 1.36 C ATOM 1988 O SER A 128 -15.590 13.261 0.209 1.00 1.34 O ATOM 1989 CB SER A 128 -17.056 12.362 2.937 1.00 1.32 C ATOM 1990 OG SER A 128 -18.163 12.039 3.760 1.00 2.04 O ATOM 0 H SER A 128 -17.687 11.215 0.749 1.00 1.34 H new ATOM 0 HA SER A 128 -18.255 13.832 1.913 1.00 1.37 H new ATOM 0 HB2 SER A 128 -16.522 11.450 2.669 1.00 1.32 H new ATOM 0 HB3 SER A 128 -16.359 12.989 3.493 1.00 1.32 H new ATOM 0 HG SER A 128 -18.807 11.506 3.248 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.079 15.045 1.492 1.00 1.41 N ATOM 1997 CA PHE A 129 -14.974 15.860 0.997 1.00 1.43 C ATOM 1998 C PHE A 129 -13.636 15.239 1.387 1.00 1.32 C ATOM 1999 O PHE A 129 -12.695 15.215 0.593 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.086 17.288 1.555 1.00 1.58 C ATOM 2001 CG PHE A 129 -13.888 18.156 1.272 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -13.698 18.709 0.017 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -12.953 18.416 2.263 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -12.603 19.508 -0.245 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -11.856 19.212 2.006 1.00 3.66 C ATOM 2006 CZ PHE A 129 -11.679 19.758 0.751 1.00 3.82 C ATOM 0 H PHE A 129 -16.654 15.506 2.197 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.027 15.901 -0.091 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -15.972 17.762 1.134 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -15.235 17.234 2.633 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -14.415 18.513 -0.766 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -13.085 17.991 3.247 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -12.469 19.937 -1.227 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -11.136 19.408 2.787 1.00 3.66 H new ATOM 0 HZ PHE A 129 -10.820 20.380 0.548 1.00 3.82 H new ATOM 2016 N VAL A 130 -13.566 14.737 2.614 1.00 1.34 N ATOM 2017 CA VAL A 130 -12.352 14.109 3.125 1.00 1.27 C ATOM 2018 C VAL A 130 -11.906 12.976 2.204 1.00 1.13 C ATOM 2019 O VAL A 130 -10.747 12.917 1.780 1.00 1.06 O ATOM 2020 CB VAL A 130 -12.574 13.551 4.546 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -11.353 12.782 5.025 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -12.913 14.669 5.518 1.00 1.53 C ATOM 0 H VAL A 130 -14.340 14.753 3.278 1.00 1.34 H new ATOM 0 HA VAL A 130 -11.576 14.873 3.162 1.00 1.27 H new ATOM 0 HB VAL A 130 -13.417 12.862 4.507 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -11.535 12.399 6.029 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -11.159 11.949 4.349 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -10.488 13.445 5.041 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -13.065 14.252 6.513 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -12.093 15.387 5.547 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -13.824 15.171 5.192 1.00 1.53 H new ATOM 2032 N VAL A 131 -12.845 12.098 1.877 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.574 10.959 1.005 1.00 1.01 C ATOM 2034 C VAL A 131 -12.192 11.421 -0.400 1.00 0.96 C ATOM 2035 O VAL A 131 -11.197 10.957 -0.960 1.00 0.90 O ATOM 2036 CB VAL A 131 -13.790 10.005 0.945 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.618 8.952 -0.138 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -13.991 9.337 2.294 1.00 1.08 C ATOM 0 H VAL A 131 -13.809 12.153 2.205 1.00 1.11 H new ATOM 0 HA VAL A 131 -11.730 10.414 1.428 1.00 1.01 H new ATOM 0 HB VAL A 131 -14.671 10.597 0.698 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.490 8.299 -0.152 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.514 9.440 -1.107 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -12.726 8.361 0.068 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -14.849 8.667 2.244 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.099 8.766 2.554 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.169 10.098 3.054 1.00 1.08 H new ATOM 2048 N LYS A 132 -12.962 12.356 -0.950 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.699 12.887 -2.285 1.00 1.01 C ATOM 2050 C LYS A 132 -11.275 13.438 -2.383 1.00 0.96 C ATOM 2051 O LYS A 132 -10.577 13.232 -3.378 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.705 13.990 -2.630 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.097 13.473 -2.958 1.00 1.32 C ATOM 2054 CD LYS A 132 -16.064 14.608 -3.279 1.00 1.44 C ATOM 2055 CE LYS A 132 -15.685 15.322 -4.568 1.00 1.93 C ATOM 2056 NZ LYS A 132 -16.653 16.398 -4.920 1.00 2.43 N1+ ATOM 0 H LYS A 132 -13.776 12.763 -0.490 1.00 1.02 H new ATOM 0 HA LYS A 132 -12.806 12.069 -2.998 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -13.773 14.682 -1.790 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.329 14.558 -3.481 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -15.041 12.793 -3.808 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.479 12.898 -2.114 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -17.075 14.211 -3.367 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -16.073 15.323 -2.456 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -14.689 15.752 -4.464 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -15.637 14.598 -5.382 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -16.355 16.857 -5.804 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -17.600 15.986 -5.045 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -16.681 17.103 -4.156 1.00 2.43 H new ATOM 2070 N SER A 133 -10.850 14.133 -1.338 1.00 0.99 N ATOM 2071 CA SER A 133 -9.518 14.713 -1.297 1.00 0.96 C ATOM 2072 C SER A 133 -8.447 13.623 -1.218 1.00 0.88 C ATOM 2073 O SER A 133 -7.375 13.755 -1.807 1.00 0.86 O ATOM 2074 CB SER A 133 -9.400 15.672 -0.110 1.00 1.04 C ATOM 2075 OG SER A 133 -10.461 16.616 -0.118 1.00 1.47 O ATOM 0 H SER A 133 -11.412 14.309 -0.505 1.00 0.99 H new ATOM 0 HA SER A 133 -9.357 15.272 -2.219 1.00 0.96 H new ATOM 0 HB2 SER A 133 -9.416 15.108 0.822 1.00 1.04 H new ATOM 0 HB3 SER A 133 -8.443 16.193 -0.151 1.00 1.04 H new ATOM 0 HG SER A 133 -11.277 16.193 0.221 1.00 1.47 H new ATOM 2081 N LEU A 134 -8.742 12.542 -0.498 1.00 0.85 N ATOM 2082 CA LEU A 134 -7.792 11.439 -0.357 1.00 0.79 C ATOM 2083 C LEU A 134 -7.591 10.727 -1.693 1.00 0.72 C ATOM 2084 O LEU A 134 -6.475 10.350 -2.043 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.267 10.437 0.702 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.299 10.964 2.137 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -8.983 9.960 3.056 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -6.890 11.271 2.629 1.00 0.93 C ATOM 0 H LEU A 134 -9.625 12.406 -0.006 1.00 0.85 H new ATOM 0 HA LEU A 134 -6.840 11.860 -0.034 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.268 10.099 0.435 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -7.616 9.563 0.668 1.00 0.80 H new ATOM 0 HG LEU A 134 -8.873 11.891 2.151 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -8.998 10.350 4.074 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -10.005 9.793 2.716 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -8.436 9.017 3.036 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -6.935 11.645 3.652 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.289 10.362 2.601 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -6.437 12.026 1.987 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.675 10.563 -2.443 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.619 9.903 -3.745 1.00 0.69 C ATOM 2102 C VAL A 135 -7.688 10.661 -4.690 1.00 0.68 C ATOM 2103 O VAL A 135 -6.834 10.064 -5.350 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.023 9.802 -4.371 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -9.956 9.236 -5.783 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -10.931 8.949 -3.497 1.00 0.80 C ATOM 0 H VAL A 135 -9.606 10.879 -2.172 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.231 8.896 -3.593 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.439 10.808 -4.433 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -10.962 9.176 -6.199 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.343 9.886 -6.407 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.515 8.239 -5.755 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -11.920 8.886 -3.952 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.510 7.948 -3.404 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.014 9.401 -2.509 1.00 0.80 H new ATOM 2116 N ALA A 136 -7.840 11.981 -4.721 1.00 0.74 N ATOM 2117 CA ALA A 136 -7.018 12.831 -5.574 1.00 0.75 C ATOM 2118 C ALA A 136 -5.545 12.712 -5.209 1.00 0.70 C ATOM 2119 O ALA A 136 -4.679 12.719 -6.082 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.472 14.278 -5.472 1.00 0.85 C ATOM 0 H ALA A 136 -8.528 12.487 -4.163 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.139 12.495 -6.604 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -6.849 14.901 -6.114 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.512 14.356 -5.789 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.381 14.616 -4.440 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.269 12.594 -3.914 1.00 0.72 N ATOM 2127 CA GLN A 137 -3.902 12.470 -3.430 1.00 0.71 C ATOM 2128 C GLN A 137 -3.319 11.113 -3.809 1.00 0.63 C ATOM 2129 O GLN A 137 -2.129 10.999 -4.097 1.00 0.63 O ATOM 2130 CB GLN A 137 -3.852 12.674 -1.917 1.00 0.78 C ATOM 2131 CG GLN A 137 -4.251 14.079 -1.493 1.00 0.84 C ATOM 2132 CD GLN A 137 -4.355 14.231 0.012 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -5.529 13.953 0.552 1.00 1.08 O flip ATOM 2134 NE2 GLN A 137 -3.395 14.608 0.680 1.00 1.39 N flip ATOM 0 H GLN A 137 -5.978 12.582 -3.180 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.297 13.244 -3.902 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -4.514 11.954 -1.437 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -2.843 12.466 -1.561 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -3.520 14.791 -1.876 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -5.209 14.332 -1.946 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -2.506 14.812 0.225 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -3.488 14.717 1.690 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.172 10.093 -3.819 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.753 8.743 -4.177 1.00 0.52 C ATOM 2145 C GLN A 138 -3.293 8.710 -5.626 1.00 0.55 C ATOM 2146 O GLN A 138 -2.212 8.209 -5.939 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.897 7.745 -3.971 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.226 7.479 -2.509 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.248 6.376 -2.332 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -5.905 5.194 -2.280 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.511 6.755 -2.227 1.00 0.61 N ATOM 0 H GLN A 138 -5.161 10.177 -3.582 1.00 0.58 H new ATOM 0 HA GLN A 138 -2.925 8.457 -3.528 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.789 8.121 -4.472 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.635 6.802 -4.452 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.313 7.211 -1.978 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.603 8.395 -2.053 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.752 7.745 -2.275 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.244 6.057 -2.098 1.00 0.61 H new ATOM 2160 N GLU A 139 -4.125 9.262 -6.503 1.00 0.60 N ATOM 2161 CA GLU A 139 -3.816 9.318 -7.925 1.00 0.67 C ATOM 2162 C GLU A 139 -2.591 10.190 -8.163 1.00 0.64 C ATOM 2163 O GLU A 139 -1.794 9.936 -9.068 1.00 0.66 O ATOM 2164 CB GLU A 139 -5.008 9.875 -8.705 1.00 0.78 C ATOM 2165 CG GLU A 139 -6.260 9.024 -8.586 1.00 1.18 C ATOM 2166 CD GLU A 139 -7.337 9.441 -9.561 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -7.206 9.124 -10.765 1.00 2.82 O ATOM 2168 OE2 GLU A 139 -8.316 10.087 -9.139 1.00 2.63 O1- ATOM 0 H GLU A 139 -5.022 9.678 -6.251 1.00 0.60 H new ATOM 0 HA GLU A 139 -3.606 8.307 -8.274 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -5.227 10.882 -8.349 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -4.736 9.962 -9.757 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -6.003 7.979 -8.758 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -6.648 9.093 -7.570 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.449 11.219 -7.341 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.323 12.131 -7.445 1.00 0.65 C ATOM 2177 C LYS A 140 -0.025 11.424 -7.090 1.00 0.63 C ATOM 2178 O LYS A 140 0.916 11.415 -7.875 1.00 0.64 O ATOM 2179 CB LYS A 140 -1.520 13.333 -6.520 1.00 0.71 C ATOM 2180 CG LYS A 140 -0.352 14.309 -6.530 1.00 0.85 C ATOM 2181 CD LYS A 140 -0.247 15.079 -5.223 1.00 1.16 C ATOM 2182 CE LYS A 140 1.208 15.347 -4.849 1.00 1.57 C ATOM 2183 NZ LYS A 140 1.927 16.110 -5.904 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.104 11.443 -6.592 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.266 12.479 -8.476 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -2.427 13.862 -6.814 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -1.675 12.976 -5.502 1.00 0.71 H new ATOM 0 HG2 LYS A 140 0.575 13.764 -6.706 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -0.471 15.010 -7.356 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -0.781 16.025 -5.312 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -0.731 14.514 -4.426 1.00 1.16 H new ATOM 0 HE2 LYS A 140 1.244 15.903 -3.912 1.00 1.57 H new ATOM 0 HE3 LYS A 140 1.718 14.399 -4.677 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 2.911 16.269 -5.608 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 1.916 15.569 -6.792 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 1.457 17.026 -6.051 1.00 1.95 H new ATOM 2197 N ALA A 141 0.005 10.819 -5.910 1.00 0.62 N ATOM 2198 CA ALA A 141 1.186 10.121 -5.415 1.00 0.62 C ATOM 2199 C ALA A 141 1.704 9.083 -6.411 1.00 0.58 C ATOM 2200 O ALA A 141 2.895 9.063 -6.726 1.00 0.60 O ATOM 2201 CB ALA A 141 0.878 9.470 -4.074 1.00 0.65 C ATOM 0 H ALA A 141 -0.788 10.798 -5.269 1.00 0.62 H new ATOM 0 HA ALA A 141 1.978 10.859 -5.286 1.00 0.62 H new ATOM 0 HB1 ALA A 141 1.764 8.950 -3.710 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.586 10.236 -3.356 1.00 0.65 H new ATOM 0 HB3 ALA A 141 0.063 8.756 -4.195 1.00 0.65 H new ATOM 2207 N ALA A 142 0.804 8.253 -6.929 1.00 0.56 N ATOM 2208 CA ALA A 142 1.172 7.199 -7.871 1.00 0.54 C ATOM 2209 C ALA A 142 1.811 7.767 -9.134 1.00 0.57 C ATOM 2210 O ALA A 142 2.811 7.245 -9.627 1.00 0.61 O ATOM 2211 CB ALA A 142 -0.052 6.362 -8.226 1.00 0.53 C ATOM 0 H ALA A 142 -0.192 8.290 -6.711 1.00 0.56 H new ATOM 0 HA ALA A 142 1.913 6.564 -7.386 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.234 5.579 -8.929 1.00 0.53 H new ATOM 0 HB2 ALA A 142 -0.457 5.908 -7.322 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.809 7.000 -8.682 1.00 0.53 H new ATOM 2217 N ALA A 143 1.246 8.852 -9.643 1.00 0.58 N ATOM 2218 CA ALA A 143 1.755 9.474 -10.859 1.00 0.63 C ATOM 2219 C ALA A 143 2.977 10.345 -10.587 1.00 0.66 C ATOM 2220 O ALA A 143 3.875 10.451 -11.423 1.00 0.72 O ATOM 2221 CB ALA A 143 0.660 10.296 -11.524 1.00 0.69 C ATOM 0 H ALA A 143 0.437 9.320 -9.235 1.00 0.58 H new ATOM 0 HA ALA A 143 2.067 8.675 -11.531 1.00 0.63 H new ATOM 0 HB1 ALA A 143 1.051 10.756 -12.431 1.00 0.69 H new ATOM 0 HB2 ALA A 143 -0.178 9.647 -11.778 1.00 0.69 H new ATOM 0 HB3 ALA A 143 0.322 11.074 -10.839 1.00 0.69 H new ATOM 2227 N ASP A 144 3.020 10.946 -9.405 1.00 0.67 N ATOM 2228 CA ASP A 144 4.115 11.831 -9.015 1.00 0.71 C ATOM 2229 C ASP A 144 5.444 11.091 -8.940 1.00 0.72 C ATOM 2230 O ASP A 144 6.469 11.591 -9.394 1.00 0.79 O ATOM 2231 CB ASP A 144 3.813 12.480 -7.664 1.00 0.73 C ATOM 2232 CG ASP A 144 3.615 13.977 -7.771 1.00 0.85 C ATOM 2233 OD1 ASP A 144 4.601 14.724 -7.657 1.00 1.39 O ATOM 2234 OD2 ASP A 144 2.459 14.415 -7.967 1.00 1.38 O1- ATOM 0 H ASP A 144 2.301 10.836 -8.690 1.00 0.67 H new ATOM 0 HA ASP A 144 4.201 12.600 -9.783 1.00 0.71 H new ATOM 0 HB2 ASP A 144 2.917 12.028 -7.240 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.631 12.273 -6.974 1.00 0.73 H new ATOM 2239 N VAL A 145 5.421 9.893 -8.370 1.00 0.68 N ATOM 2240 CA VAL A 145 6.634 9.090 -8.231 1.00 0.70 C ATOM 2241 C VAL A 145 6.909 8.265 -9.486 1.00 0.70 C ATOM 2242 O VAL A 145 7.913 7.549 -9.556 1.00 0.75 O ATOM 2243 CB VAL A 145 6.553 8.138 -7.018 1.00 0.68 C ATOM 2244 CG1 VAL A 145 6.417 8.922 -5.722 1.00 1.34 C ATOM 2245 CG2 VAL A 145 5.398 7.162 -7.171 1.00 1.34 C ATOM 0 H VAL A 145 4.579 9.455 -7.997 1.00 0.68 H new ATOM 0 HA VAL A 145 7.450 9.796 -8.078 1.00 0.70 H new ATOM 0 HB VAL A 145 7.481 7.568 -6.978 1.00 0.68 H new ATOM 0 HG11 VAL A 145 6.362 8.230 -4.882 1.00 1.34 H new ATOM 0 HG12 VAL A 145 7.282 9.574 -5.599 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.510 9.525 -5.755 1.00 1.34 H new ATOM 0 HG21 VAL A 145 5.362 6.502 -6.304 1.00 1.34 H new ATOM 0 HG22 VAL A 145 4.462 7.715 -7.245 1.00 1.34 H new ATOM 0 HG23 VAL A 145 5.541 6.568 -8.074 1.00 1.34 H new ATOM 2255 N GLN A 146 6.022 8.385 -10.474 1.00 0.68 N ATOM 2256 CA GLN A 146 6.144 7.645 -11.728 1.00 0.71 C ATOM 2257 C GLN A 146 6.149 6.145 -11.450 1.00 0.63 C ATOM 2258 O GLN A 146 7.057 5.415 -11.859 1.00 0.69 O ATOM 2259 CB GLN A 146 7.411 8.053 -12.487 1.00 0.86 C ATOM 2260 CG GLN A 146 7.485 9.541 -12.800 1.00 1.03 C ATOM 2261 CD GLN A 146 8.847 9.969 -13.306 1.00 1.30 C ATOM 2262 OE1 GLN A 146 9.870 9.376 -12.958 1.00 1.61 O ATOM 2263 NE2 GLN A 146 8.869 11.003 -14.132 1.00 1.95 N ATOM 0 H GLN A 146 5.205 8.994 -10.428 1.00 0.68 H new ATOM 0 HA GLN A 146 5.286 7.887 -12.355 1.00 0.71 H new ATOM 0 HB2 GLN A 146 8.283 7.771 -11.898 1.00 0.86 H new ATOM 0 HB3 GLN A 146 7.462 7.492 -13.420 1.00 0.86 H new ATOM 0 HG2 GLN A 146 6.731 9.788 -13.547 1.00 1.03 H new ATOM 0 HG3 GLN A 146 7.242 10.109 -11.902 1.00 1.03 H new ATOM 0 HE21 GLN A 146 7.998 11.465 -14.394 1.00 1.95 H new ATOM 0 HE22 GLN A 146 9.757 11.338 -14.506 1.00 1.95 H new ATOM 2272 N LEU A 147 5.125 5.705 -10.734 1.00 0.55 N ATOM 2273 CA LEU A 147 4.977 4.309 -10.358 1.00 0.49 C ATOM 2274 C LEU A 147 4.762 3.421 -11.580 1.00 0.50 C ATOM 2275 O LEU A 147 3.814 3.607 -12.340 1.00 0.62 O ATOM 2276 CB LEU A 147 3.805 4.167 -9.384 1.00 0.51 C ATOM 2277 CG LEU A 147 3.559 2.758 -8.856 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.664 2.339 -7.906 1.00 0.71 C ATOM 2279 CD2 LEU A 147 2.206 2.682 -8.173 1.00 0.55 C ATOM 0 H LEU A 147 4.373 6.307 -10.398 1.00 0.55 H new ATOM 0 HA LEU A 147 5.897 3.982 -9.874 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.978 4.829 -8.536 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.899 4.514 -9.880 1.00 0.51 H new ATOM 0 HG LEU A 147 3.561 2.068 -9.699 1.00 0.46 H new ATOM 0 HD11 LEU A 147 4.468 1.331 -7.542 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.620 2.356 -8.430 1.00 0.71 H new ATOM 0 HD13 LEU A 147 4.700 3.029 -7.063 1.00 0.71 H new ATOM 0 HD21 LEU A 147 2.043 1.671 -7.801 1.00 0.55 H new ATOM 0 HD22 LEU A 147 2.179 3.384 -7.340 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.423 2.936 -8.887 1.00 0.55 H new ATOM 2291 N ARG A 148 5.660 2.464 -11.770 1.00 0.53 N ATOM 2292 CA ARG A 148 5.565 1.535 -12.892 1.00 0.64 C ATOM 2293 C ARG A 148 5.046 0.187 -12.412 1.00 0.61 C ATOM 2294 O ARG A 148 4.321 -0.504 -13.131 1.00 1.08 O ATOM 2295 CB ARG A 148 6.925 1.359 -13.571 1.00 0.84 C ATOM 2296 CG ARG A 148 7.522 2.654 -14.100 1.00 1.02 C ATOM 2297 CD ARG A 148 6.624 3.306 -15.136 1.00 1.75 C ATOM 2298 NE ARG A 148 7.156 4.592 -15.583 1.00 2.46 N ATOM 2299 CZ ARG A 148 6.406 5.663 -15.837 1.00 3.34 C ATOM 2300 NH1 ARG A 148 5.084 5.598 -15.729 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 6.979 6.801 -16.203 1.00 4.16 N ATOM 0 H ARG A 148 6.464 2.309 -11.162 1.00 0.53 H new ATOM 0 HA ARG A 148 4.868 1.949 -13.620 1.00 0.64 H new ATOM 0 HB2 ARG A 148 7.620 0.914 -12.859 1.00 0.84 H new ATOM 0 HB3 ARG A 148 6.820 0.655 -14.397 1.00 0.84 H new ATOM 0 HG2 ARG A 148 7.683 3.345 -13.272 1.00 1.02 H new ATOM 0 HG3 ARG A 148 8.498 2.451 -14.541 1.00 1.02 H new ATOM 0 HD2 ARG A 148 6.514 2.641 -15.992 1.00 1.75 H new ATOM 0 HD3 ARG A 148 5.629 3.451 -14.715 1.00 1.75 H new ATOM 0 HE ARG A 148 8.165 4.674 -15.708 1.00 2.46 H new ATOM 0 HH11 ARG A 148 4.637 4.724 -15.450 1.00 3.78 H new ATOM 0 HH12 ARG A 148 4.515 6.422 -15.925 1.00 3.78 H new ATOM 0 HH21 ARG A 148 7.994 6.856 -16.290 1.00 4.16 H new ATOM 0 HH22 ARG A 148 6.405 7.621 -16.398 1.00 4.16 H new ATOM 2315 N GLY A 149 5.423 -0.182 -11.197 1.00 0.49 N ATOM 2316 CA GLY A 149 4.974 -1.438 -10.632 1.00 0.45 C ATOM 2317 C GLY A 149 3.765 -1.233 -9.759 1.00 0.42 C ATOM 2318 O GLY A 149 3.171 -0.158 -9.770 1.00 0.68 O ATOM 0 H GLY A 149 6.033 0.367 -10.591 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.734 -2.137 -11.433 1.00 0.45 H new ATOM 0 HA3 GLY A 149 5.778 -1.886 -10.048 1.00 0.45 H new ATOM 2322 N VAL A 150 3.383 -2.250 -9.007 1.00 0.31 N ATOM 2323 CA VAL A 150 2.226 -2.123 -8.132 1.00 0.32 C ATOM 2324 C VAL A 150 2.635 -2.145 -6.657 1.00 0.33 C ATOM 2325 O VAL A 150 2.346 -1.194 -5.938 1.00 0.38 O ATOM 2326 CB VAL A 150 1.140 -3.191 -8.400 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.192 -2.760 -7.797 1.00 0.45 C ATOM 2328 CG2 VAL A 150 0.992 -3.444 -9.891 1.00 0.49 C ATOM 0 H VAL A 150 3.846 -3.159 -8.982 1.00 0.31 H new ATOM 0 HA VAL A 150 1.786 -1.153 -8.364 1.00 0.32 H new ATOM 0 HB VAL A 150 1.450 -4.121 -7.924 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -0.945 -3.523 -7.995 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.080 -2.632 -6.720 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -0.505 -1.817 -8.244 1.00 0.45 H new ATOM 0 HG21 VAL A 150 0.223 -4.198 -10.057 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.706 -2.518 -10.391 1.00 0.49 H new ATOM 0 HG23 VAL A 150 1.940 -3.797 -10.296 1.00 0.49 H new ATOM 2338 N PRO A 151 3.333 -3.201 -6.174 1.00 0.35 N ATOM 2339 CA PRO A 151 3.750 -3.292 -4.778 1.00 0.41 C ATOM 2340 C PRO A 151 5.061 -2.550 -4.531 1.00 0.40 C ATOM 2341 O PRO A 151 6.117 -3.160 -4.356 1.00 0.56 O ATOM 2342 CB PRO A 151 3.930 -4.806 -4.555 1.00 0.50 C ATOM 2343 CG PRO A 151 3.696 -5.461 -5.881 1.00 0.53 C ATOM 2344 CD PRO A 151 3.805 -4.376 -6.913 1.00 0.37 C ATOM 0 HA PRO A 151 3.029 -2.838 -4.099 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.931 -5.027 -4.184 1.00 0.50 H new ATOM 0 HB3 PRO A 151 3.225 -5.175 -3.810 1.00 0.50 H new ATOM 0 HG2 PRO A 151 4.431 -6.245 -6.062 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.713 -5.932 -5.914 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.828 -4.251 -7.267 1.00 0.37 H new ATOM 0 HD3 PRO A 151 3.188 -4.582 -7.788 1.00 0.37 H new ATOM 2352 N ALA A 152 4.992 -1.231 -4.542 1.00 0.38 N ATOM 2353 CA ALA A 152 6.169 -0.410 -4.326 1.00 0.38 C ATOM 2354 C ALA A 152 5.998 0.472 -3.100 1.00 0.40 C ATOM 2355 O ALA A 152 4.897 0.943 -2.813 1.00 0.63 O ATOM 2356 CB ALA A 152 6.442 0.440 -5.550 1.00 0.40 C ATOM 0 H ALA A 152 4.132 -0.705 -4.698 1.00 0.38 H new ATOM 0 HA ALA A 152 7.020 -1.069 -4.154 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.327 1.052 -5.378 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.610 -0.206 -6.412 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.586 1.086 -5.743 1.00 0.40 H new ATOM 2362 N MET A 153 7.088 0.691 -2.382 1.00 0.32 N ATOM 2363 CA MET A 153 7.058 1.512 -1.189 1.00 0.31 C ATOM 2364 C MET A 153 8.026 2.684 -1.334 1.00 0.31 C ATOM 2365 O MET A 153 9.169 2.507 -1.760 1.00 0.34 O ATOM 2366 CB MET A 153 7.413 0.664 0.038 1.00 0.34 C ATOM 2367 CG MET A 153 7.129 1.357 1.364 1.00 0.35 C ATOM 2368 SD MET A 153 7.297 0.257 2.784 1.00 0.38 S ATOM 2369 CE MET A 153 5.922 -0.859 2.520 1.00 0.42 C ATOM 0 H MET A 153 8.006 0.309 -2.608 1.00 0.32 H new ATOM 0 HA MET A 153 6.053 1.912 -1.055 1.00 0.31 H new ATOM 0 HB2 MET A 153 6.851 -0.269 -0.002 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.470 0.402 -0.006 1.00 0.34 H new ATOM 0 HG2 MET A 153 7.811 2.199 1.481 1.00 0.35 H new ATOM 0 HG3 MET A 153 6.119 1.765 1.345 1.00 0.35 H new ATOM 0 HE1 MET A 153 5.819 -1.519 3.381 1.00 0.42 H new ATOM 0 HE2 MET A 153 5.005 -0.283 2.392 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.104 -1.455 1.626 1.00 0.42 H new ATOM 2379 N PHE A 154 7.557 3.874 -0.998 1.00 0.33 N ATOM 2380 CA PHE A 154 8.363 5.079 -1.091 1.00 0.36 C ATOM 2381 C PHE A 154 8.433 5.762 0.267 1.00 0.38 C ATOM 2382 O PHE A 154 7.403 6.081 0.864 1.00 0.43 O ATOM 2383 CB PHE A 154 7.772 6.046 -2.123 1.00 0.39 C ATOM 2384 CG PHE A 154 7.697 5.485 -3.521 1.00 0.39 C ATOM 2385 CD1 PHE A 154 6.640 4.670 -3.897 1.00 0.48 C ATOM 2386 CD2 PHE A 154 8.679 5.775 -4.451 1.00 0.45 C ATOM 2387 CE1 PHE A 154 6.566 4.154 -5.174 1.00 0.52 C ATOM 2388 CE2 PHE A 154 8.609 5.261 -5.730 1.00 0.48 C ATOM 2389 CZ PHE A 154 7.553 4.450 -6.093 1.00 0.48 C ATOM 0 H PHE A 154 6.610 4.032 -0.654 1.00 0.33 H new ATOM 0 HA PHE A 154 9.367 4.798 -1.409 1.00 0.36 H new ATOM 0 HB2 PHE A 154 6.770 6.333 -1.804 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.374 6.955 -2.140 1.00 0.39 H new ATOM 0 HD1 PHE A 154 5.865 4.436 -3.181 1.00 0.48 H new ATOM 0 HD2 PHE A 154 9.508 6.409 -4.174 1.00 0.45 H new ATOM 0 HE1 PHE A 154 5.738 3.520 -5.454 1.00 0.52 H new ATOM 0 HE2 PHE A 154 9.382 5.494 -6.448 1.00 0.48 H new ATOM 0 HZ PHE A 154 7.499 4.048 -7.094 1.00 0.48 H new ATOM 2399 N VAL A 155 9.642 5.996 0.750 1.00 0.40 N ATOM 2400 CA VAL A 155 9.832 6.634 2.043 1.00 0.43 C ATOM 2401 C VAL A 155 9.916 8.151 1.893 1.00 0.46 C ATOM 2402 O VAL A 155 10.815 8.674 1.224 1.00 0.48 O ATOM 2403 CB VAL A 155 11.097 6.110 2.754 1.00 0.47 C ATOM 2404 CG1 VAL A 155 11.238 6.738 4.133 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.054 4.592 2.855 1.00 0.47 C ATOM 0 H VAL A 155 10.507 5.754 0.267 1.00 0.40 H new ATOM 0 HA VAL A 155 8.966 6.383 2.656 1.00 0.43 H new ATOM 0 HB VAL A 155 11.969 6.393 2.164 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.136 6.355 4.617 1.00 0.55 H new ATOM 0 HG12 VAL A 155 11.313 7.821 4.034 1.00 0.55 H new ATOM 0 HG13 VAL A 155 10.366 6.489 4.737 1.00 0.55 H new ATOM 0 HG21 VAL A 155 11.952 4.235 3.359 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.175 4.290 3.424 1.00 0.47 H new ATOM 0 HG23 VAL A 155 11.004 4.162 1.855 1.00 0.47 H new ATOM 2415 N ASN A 156 8.949 8.840 2.501 1.00 0.49 N ATOM 2416 CA ASN A 156 8.853 10.302 2.469 1.00 0.55 C ATOM 2417 C ASN A 156 8.762 10.826 1.039 1.00 0.54 C ATOM 2418 O ASN A 156 8.967 12.012 0.791 1.00 0.58 O ATOM 2419 CB ASN A 156 10.041 10.953 3.193 1.00 0.61 C ATOM 2420 CG ASN A 156 9.693 11.377 4.607 1.00 0.86 C ATOM 2421 OD1 ASN A 156 9.066 12.415 4.818 1.00 1.16 O ATOM 2422 ND2 ASN A 156 10.108 10.587 5.586 1.00 1.01 N ATOM 0 H ASN A 156 8.203 8.395 3.035 1.00 0.49 H new ATOM 0 HA ASN A 156 7.936 10.573 2.992 1.00 0.55 H new ATOM 0 HB2 ASN A 156 10.875 10.251 3.222 1.00 0.61 H new ATOM 0 HB3 ASN A 156 10.376 11.823 2.628 1.00 0.61 H new ATOM 0 HD21 ASN A 156 9.910 10.831 6.557 1.00 1.01 H new ATOM 0 HD22 ASN A 156 10.625 9.735 5.369 1.00 1.01 H new ATOM 2429 N GLY A 157 8.439 9.937 0.103 1.00 0.51 N ATOM 2430 CA GLY A 157 8.340 10.327 -1.291 1.00 0.52 C ATOM 2431 C GLY A 157 9.676 10.767 -1.854 1.00 0.53 C ATOM 2432 O GLY A 157 9.729 11.513 -2.832 1.00 0.56 O ATOM 0 H GLY A 157 8.244 8.953 0.287 1.00 0.51 H new ATOM 0 HA2 GLY A 157 7.958 9.490 -1.875 1.00 0.52 H new ATOM 0 HA3 GLY A 157 7.620 11.139 -1.390 1.00 0.52 H new ATOM 2436 N LYS A 158 10.755 10.320 -1.224 1.00 0.52 N ATOM 2437 CA LYS A 158 12.099 10.677 -1.666 1.00 0.55 C ATOM 2438 C LYS A 158 12.896 9.432 -2.026 1.00 0.53 C ATOM 2439 O LYS A 158 13.617 9.405 -3.025 1.00 0.58 O ATOM 2440 CB LYS A 158 12.841 11.461 -0.578 1.00 0.61 C ATOM 2441 CG LYS A 158 12.082 12.677 -0.080 1.00 0.75 C ATOM 2442 CD LYS A 158 12.915 13.526 0.871 1.00 0.96 C ATOM 2443 CE LYS A 158 14.057 14.224 0.151 1.00 1.30 C ATOM 2444 NZ LYS A 158 14.538 15.420 0.889 1.00 1.75 N1+ ATOM 0 H LYS A 158 10.727 9.711 -0.407 1.00 0.52 H new ATOM 0 HA LYS A 158 12.000 11.306 -2.551 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.040 10.798 0.264 1.00 0.61 H new ATOM 0 HB3 LYS A 158 13.807 11.781 -0.968 1.00 0.61 H new ATOM 0 HG2 LYS A 158 11.774 13.284 -0.931 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.173 12.353 0.427 1.00 0.75 H new ATOM 0 HD2 LYS A 158 12.277 14.270 1.348 1.00 0.96 H new ATOM 0 HD3 LYS A 158 13.317 12.895 1.664 1.00 0.96 H new ATOM 0 HE2 LYS A 158 14.882 13.525 0.019 1.00 1.30 H new ATOM 0 HE3 LYS A 158 13.729 14.521 -0.845 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 15.317 15.864 0.361 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 13.758 16.100 0.993 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 14.876 15.134 1.830 1.00 1.75 H new ATOM 2458 N TYR A 159 12.762 8.403 -1.200 1.00 0.50 N ATOM 2459 CA TYR A 159 13.478 7.159 -1.413 1.00 0.49 C ATOM 2460 C TYR A 159 12.563 6.072 -1.965 1.00 0.44 C ATOM 2461 O TYR A 159 11.492 5.803 -1.412 1.00 0.45 O ATOM 2462 CB TYR A 159 14.115 6.685 -0.107 1.00 0.53 C ATOM 2463 CG TYR A 159 15.291 7.527 0.334 1.00 0.63 C ATOM 2464 CD1 TYR A 159 16.503 7.460 -0.337 1.00 0.75 C ATOM 2465 CD2 TYR A 159 15.190 8.389 1.422 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.580 8.226 0.060 1.00 0.92 C ATOM 2467 CE2 TYR A 159 16.267 9.159 1.824 1.00 0.89 C ATOM 2468 CZ TYR A 159 17.459 9.071 1.139 1.00 0.96 C ATOM 2469 OH TYR A 159 18.536 9.834 1.525 1.00 1.16 O ATOM 0 H TYR A 159 12.162 8.409 -0.375 1.00 0.50 H new ATOM 0 HA TYR A 159 14.258 7.350 -2.150 1.00 0.49 H new ATOM 0 HB2 TYR A 159 13.360 6.691 0.679 1.00 0.53 H new ATOM 0 HB3 TYR A 159 14.443 5.652 -0.226 1.00 0.53 H new ATOM 0 HD1 TYR A 159 16.606 6.798 -1.184 1.00 0.75 H new ATOM 0 HD2 TYR A 159 14.257 8.458 1.961 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.516 8.162 -0.475 1.00 0.92 H new ATOM 0 HE2 TYR A 159 16.174 9.825 2.669 1.00 0.89 H new ATOM 0 HH TYR A 159 18.290 10.378 2.302 1.00 1.16 H new ATOM 2479 N GLN A 160 13.009 5.447 -3.042 1.00 0.43 N ATOM 2480 CA GLN A 160 12.270 4.375 -3.695 1.00 0.40 C ATOM 2481 C GLN A 160 12.983 3.051 -3.459 1.00 0.40 C ATOM 2482 O GLN A 160 14.175 2.937 -3.726 1.00 0.46 O ATOM 2483 CB GLN A 160 12.170 4.656 -5.197 1.00 0.44 C ATOM 2484 CG GLN A 160 11.750 3.453 -6.032 1.00 0.48 C ATOM 2485 CD GLN A 160 12.066 3.638 -7.501 1.00 0.72 C ATOM 2486 OE1 GLN A 160 13.012 4.338 -7.860 1.00 0.98 O ATOM 2487 NE2 GLN A 160 11.284 3.006 -8.359 1.00 0.91 N ATOM 0 H GLN A 160 13.898 5.669 -3.491 1.00 0.43 H new ATOM 0 HA GLN A 160 11.264 4.320 -3.278 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.455 5.463 -5.357 1.00 0.44 H new ATOM 0 HB3 GLN A 160 13.137 5.012 -5.554 1.00 0.44 H new ATOM 0 HG2 GLN A 160 12.257 2.562 -5.663 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.680 3.284 -5.911 1.00 0.48 H new ATOM 0 HE21 GLN A 160 10.510 2.435 -8.019 1.00 0.91 H new ATOM 0 HE22 GLN A 160 11.455 3.089 -9.361 1.00 0.91 H new ATOM 2496 N LEU A 161 12.268 2.059 -2.955 1.00 0.39 N ATOM 2497 CA LEU A 161 12.875 0.758 -2.691 1.00 0.40 C ATOM 2498 C LEU A 161 12.917 -0.094 -3.954 1.00 0.37 C ATOM 2499 O LEU A 161 11.974 -0.104 -4.746 1.00 0.37 O ATOM 2500 CB LEU A 161 12.129 0.019 -1.580 1.00 0.45 C ATOM 2501 CG LEU A 161 12.504 0.449 -0.163 1.00 0.51 C ATOM 2502 CD1 LEU A 161 11.704 1.672 0.260 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.297 -0.698 0.811 1.00 1.20 C ATOM 0 H LEU A 161 11.277 2.124 -2.721 1.00 0.39 H new ATOM 0 HA LEU A 161 13.899 0.935 -2.361 1.00 0.40 H new ATOM 0 HB2 LEU A 161 11.058 0.168 -1.719 1.00 0.45 H new ATOM 0 HB3 LEU A 161 12.318 -1.050 -1.683 1.00 0.45 H new ATOM 0 HG LEU A 161 13.560 0.720 -0.153 1.00 0.51 H new ATOM 0 HD11 LEU A 161 11.988 1.960 1.272 1.00 1.13 H new ATOM 0 HD12 LEU A 161 11.910 2.496 -0.423 1.00 1.13 H new ATOM 0 HD13 LEU A 161 10.640 1.437 0.234 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.569 -0.375 1.816 1.00 1.20 H new ATOM 0 HD22 LEU A 161 11.250 -1.002 0.798 1.00 1.20 H new ATOM 0 HD23 LEU A 161 12.923 -1.541 0.519 1.00 1.20 H new ATOM 2515 N ASN A 162 14.023 -0.804 -4.137 1.00 0.40 N ATOM 2516 CA ASN A 162 14.208 -1.661 -5.301 1.00 0.41 C ATOM 2517 C ASN A 162 14.274 -3.120 -4.866 1.00 0.41 C ATOM 2518 O ASN A 162 15.307 -3.589 -4.392 1.00 0.45 O ATOM 2519 CB ASN A 162 15.491 -1.283 -6.048 1.00 0.50 C ATOM 2520 CG ASN A 162 15.773 -2.195 -7.230 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.857 -2.664 -7.907 1.00 0.62 O ATOM 2522 ND2 ASN A 162 17.049 -2.462 -7.479 1.00 0.72 N ATOM 0 H ASN A 162 14.811 -0.803 -3.489 1.00 0.40 H new ATOM 0 HA ASN A 162 13.360 -1.523 -5.972 1.00 0.41 H new ATOM 0 HB2 ASN A 162 15.412 -0.254 -6.399 1.00 0.50 H new ATOM 0 HB3 ASN A 162 16.333 -1.320 -5.357 1.00 0.50 H new ATOM 0 HD21 ASN A 162 17.300 -3.075 -8.254 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.779 -2.054 -6.895 1.00 0.72 H new ATOM 2529 N PRO A 163 13.169 -3.864 -5.023 1.00 0.41 N ATOM 2530 CA PRO A 163 13.109 -5.276 -4.634 1.00 0.43 C ATOM 2531 C PRO A 163 13.961 -6.170 -5.536 1.00 0.45 C ATOM 2532 O PRO A 163 14.327 -7.281 -5.157 1.00 0.52 O ATOM 2533 CB PRO A 163 11.626 -5.625 -4.773 1.00 0.46 C ATOM 2534 CG PRO A 163 11.071 -4.638 -5.739 1.00 0.54 C ATOM 2535 CD PRO A 163 11.893 -3.385 -5.592 1.00 0.43 C ATOM 0 HA PRO A 163 13.503 -5.436 -3.630 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.496 -6.645 -5.136 1.00 0.46 H new ATOM 0 HB3 PRO A 163 11.117 -5.561 -3.811 1.00 0.46 H new ATOM 0 HG2 PRO A 163 11.126 -5.020 -6.758 1.00 0.54 H new ATOM 0 HG3 PRO A 163 10.020 -4.439 -5.529 1.00 0.54 H new ATOM 0 HD2 PRO A 163 12.044 -2.891 -6.552 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.408 -2.663 -4.935 1.00 0.43 H new ATOM 2543 N GLN A 164 14.294 -5.671 -6.723 1.00 0.48 N ATOM 2544 CA GLN A 164 15.100 -6.433 -7.671 1.00 0.53 C ATOM 2545 C GLN A 164 16.580 -6.340 -7.316 1.00 0.54 C ATOM 2546 O GLN A 164 17.424 -6.979 -7.946 1.00 0.68 O ATOM 2547 CB GLN A 164 14.874 -5.929 -9.097 1.00 0.62 C ATOM 2548 CG GLN A 164 13.846 -6.732 -9.881 1.00 0.86 C ATOM 2549 CD GLN A 164 14.109 -8.227 -9.829 1.00 1.41 C ATOM 2550 OE1 GLN A 164 13.411 -8.923 -8.950 1.00 2.22 O flip ATOM 2551 NE2 GLN A 164 14.916 -8.755 -10.591 1.00 1.82 N flip ATOM 0 H GLN A 164 14.019 -4.745 -7.050 1.00 0.48 H new ATOM 0 HA GLN A 164 14.791 -7.477 -7.614 1.00 0.53 H new ATOM 0 HB2 GLN A 164 14.553 -4.888 -9.057 1.00 0.62 H new ATOM 0 HB3 GLN A 164 15.823 -5.950 -9.634 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.852 -6.528 -9.484 1.00 0.86 H new ATOM 0 HG3 GLN A 164 13.848 -6.402 -10.920 1.00 0.86 H new ATOM 0 HE21 GLN A 164 15.437 -8.185 -11.257 1.00 1.82 H new ATOM 0 HE22 GLN A 164 15.065 -9.764 -10.557 1.00 1.82 H new ATOM 2560 N GLY A 165 16.889 -5.537 -6.307 1.00 0.51 N ATOM 2561 CA GLY A 165 18.259 -5.382 -5.878 1.00 0.54 C ATOM 2562 C GLY A 165 18.475 -5.900 -4.475 1.00 0.50 C ATOM 2563 O GLY A 165 19.369 -5.450 -3.759 1.00 0.59 O ATOM 0 H GLY A 165 16.210 -4.989 -5.778 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.917 -5.913 -6.566 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.536 -4.329 -5.922 1.00 0.54 H new ATOM 2567 N MET A 166 17.651 -6.853 -4.085 1.00 0.45 N ATOM 2568 CA MET A 166 17.738 -7.439 -2.761 1.00 0.45 C ATOM 2569 C MET A 166 18.123 -8.911 -2.857 1.00 0.48 C ATOM 2570 O MET A 166 18.088 -9.500 -3.941 1.00 0.57 O ATOM 2571 CB MET A 166 16.406 -7.275 -2.023 1.00 0.43 C ATOM 2572 CG MET A 166 15.986 -5.823 -1.868 1.00 0.43 C ATOM 2573 SD MET A 166 14.612 -5.607 -0.725 1.00 0.48 S ATOM 2574 CE MET A 166 14.508 -3.821 -0.684 1.00 0.49 C ATOM 0 H MET A 166 16.910 -7.240 -4.669 1.00 0.45 H new ATOM 0 HA MET A 166 18.512 -6.919 -2.196 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.629 -7.816 -2.563 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.485 -7.731 -1.036 1.00 0.43 H new ATOM 0 HG2 MET A 166 16.838 -5.239 -1.518 1.00 0.43 H new ATOM 0 HG3 MET A 166 15.706 -5.425 -2.843 1.00 0.43 H new ATOM 0 HE1 MET A 166 14.629 -3.473 0.342 1.00 0.49 H new ATOM 0 HE2 MET A 166 15.295 -3.396 -1.307 1.00 0.49 H new ATOM 0 HE3 MET A 166 13.536 -3.504 -1.062 1.00 0.49 H new ATOM 2584 N ASP A 167 18.499 -9.501 -1.724 1.00 0.55 N ATOM 2585 CA ASP A 167 18.891 -10.906 -1.680 1.00 0.62 C ATOM 2586 C ASP A 167 17.668 -11.794 -1.867 1.00 0.62 C ATOM 2587 O ASP A 167 16.898 -12.023 -0.933 1.00 0.79 O ATOM 2588 CB ASP A 167 19.581 -11.229 -0.353 1.00 0.80 C ATOM 2589 CG ASP A 167 20.532 -12.403 -0.471 1.00 0.94 C ATOM 2590 OD1 ASP A 167 20.295 -13.280 -1.327 1.00 1.38 O ATOM 2591 OD2 ASP A 167 21.525 -12.458 0.289 1.00 1.54 O1- ATOM 0 H ASP A 167 18.540 -9.025 -0.823 1.00 0.55 H new ATOM 0 HA ASP A 167 19.595 -11.097 -2.490 1.00 0.62 H new ATOM 0 HB2 ASP A 167 20.130 -10.353 -0.009 1.00 0.80 H new ATOM 0 HB3 ASP A 167 18.827 -11.450 0.402 1.00 0.80 H new ATOM 2596 N THR A 168 17.499 -12.292 -3.080 1.00 0.67 N ATOM 2597 CA THR A 168 16.358 -13.123 -3.418 1.00 0.79 C ATOM 2598 C THR A 168 16.667 -14.618 -3.266 1.00 0.86 C ATOM 2599 O THR A 168 16.058 -15.455 -3.932 1.00 1.04 O ATOM 2600 CB THR A 168 15.910 -12.829 -4.862 1.00 0.92 C ATOM 2601 OG1 THR A 168 16.892 -12.004 -5.516 1.00 1.03 O ATOM 2602 CG2 THR A 168 14.552 -12.138 -4.887 1.00 1.16 C ATOM 0 H THR A 168 18.145 -12.133 -3.853 1.00 0.67 H new ATOM 0 HA THR A 168 15.556 -12.880 -2.721 1.00 0.79 H new ATOM 0 HB THR A 168 15.817 -13.777 -5.392 1.00 0.92 H new ATOM 0 HG1 THR A 168 16.605 -11.820 -6.435 1.00 1.03 H new ATOM 0 HG21 THR A 168 14.262 -11.943 -5.919 1.00 1.16 H new ATOM 0 HG22 THR A 168 13.808 -12.781 -4.416 1.00 1.16 H new ATOM 0 HG23 THR A 168 14.613 -11.195 -4.343 1.00 1.16 H new ATOM 2610 N SER A 169 17.606 -14.947 -2.390 1.00 0.82 N ATOM 2611 CA SER A 169 17.974 -16.337 -2.154 1.00 0.89 C ATOM 2612 C SER A 169 16.904 -17.042 -1.326 1.00 0.80 C ATOM 2613 O SER A 169 16.613 -18.223 -1.523 1.00 0.93 O ATOM 2614 CB SER A 169 19.321 -16.397 -1.433 1.00 1.01 C ATOM 2615 OG SER A 169 19.370 -15.455 -0.372 1.00 1.53 O ATOM 0 H SER A 169 18.127 -14.271 -1.831 1.00 0.82 H new ATOM 0 HA SER A 169 18.056 -16.847 -3.114 1.00 0.89 H new ATOM 0 HB2 SER A 169 19.484 -17.401 -1.041 1.00 1.01 H new ATOM 0 HB3 SER A 169 20.126 -16.196 -2.140 1.00 1.01 H new ATOM 0 HG SER A 169 20.008 -14.745 -0.594 1.00 1.53 H new ATOM 2621 N ASN A 170 16.312 -16.299 -0.404 1.00 0.68 N ATOM 2622 CA ASN A 170 15.282 -16.830 0.470 1.00 0.69 C ATOM 2623 C ASN A 170 14.223 -15.761 0.722 1.00 0.63 C ATOM 2624 O ASN A 170 14.553 -14.631 1.084 1.00 0.60 O ATOM 2625 CB ASN A 170 15.923 -17.307 1.783 1.00 0.80 C ATOM 2626 CG ASN A 170 14.919 -17.696 2.848 1.00 0.91 C ATOM 2627 OD1 ASN A 170 13.769 -18.018 2.562 1.00 1.21 O ATOM 2628 ND2 ASN A 170 15.357 -17.676 4.096 1.00 1.14 N ATOM 0 H ASN A 170 16.532 -15.316 -0.242 1.00 0.68 H new ATOM 0 HA ASN A 170 14.794 -17.683 -0.001 1.00 0.69 H new ATOM 0 HB2 ASN A 170 16.565 -18.162 1.573 1.00 0.80 H new ATOM 0 HB3 ASN A 170 16.563 -16.515 2.172 1.00 0.80 H new ATOM 0 HD21 ASN A 170 14.732 -17.934 4.860 1.00 1.14 H new ATOM 0 HD22 ASN A 170 16.320 -17.403 4.294 1.00 1.14 H new ATOM 2635 N MET A 171 12.959 -16.121 0.519 1.00 0.67 N ATOM 2636 CA MET A 171 11.838 -15.199 0.704 1.00 0.66 C ATOM 2637 C MET A 171 11.822 -14.619 2.115 1.00 0.59 C ATOM 2638 O MET A 171 11.466 -13.458 2.314 1.00 0.55 O ATOM 2639 CB MET A 171 10.516 -15.917 0.424 1.00 0.78 C ATOM 2640 CG MET A 171 10.390 -16.436 -1.001 1.00 0.95 C ATOM 2641 SD MET A 171 9.073 -15.623 -1.928 1.00 1.54 S ATOM 2642 CE MET A 171 7.649 -16.543 -1.354 1.00 1.96 C ATOM 0 H MET A 171 12.681 -17.057 0.223 1.00 0.67 H new ATOM 0 HA MET A 171 11.962 -14.376 -0.000 1.00 0.66 H new ATOM 0 HB2 MET A 171 10.413 -16.753 1.116 1.00 0.78 H new ATOM 0 HB3 MET A 171 9.692 -15.233 0.626 1.00 0.78 H new ATOM 0 HG2 MET A 171 11.337 -16.290 -1.521 1.00 0.95 H new ATOM 0 HG3 MET A 171 10.202 -17.509 -0.976 1.00 0.95 H new ATOM 0 HE1 MET A 171 6.750 -16.160 -1.836 1.00 1.96 H new ATOM 0 HE2 MET A 171 7.773 -17.597 -1.602 1.00 1.96 H new ATOM 0 HE3 MET A 171 7.556 -16.433 -0.274 1.00 1.96 H new ATOM 2652 N ASP A 172 12.233 -15.430 3.085 1.00 0.63 N ATOM 2653 CA ASP A 172 12.276 -15.011 4.485 1.00 0.62 C ATOM 2654 C ASP A 172 13.213 -13.819 4.657 1.00 0.54 C ATOM 2655 O ASP A 172 12.926 -12.882 5.400 1.00 0.57 O ATOM 2656 CB ASP A 172 12.765 -16.163 5.360 1.00 0.70 C ATOM 2657 CG ASP A 172 11.843 -16.461 6.524 1.00 1.26 C ATOM 2658 OD1 ASP A 172 11.539 -15.538 7.300 1.00 2.05 O1- ATOM 2659 OD2 ASP A 172 11.433 -17.636 6.679 1.00 1.82 O ATOM 0 H ASP A 172 12.544 -16.389 2.927 1.00 0.63 H new ATOM 0 HA ASP A 172 11.269 -14.722 4.787 1.00 0.62 H new ATOM 0 HB2 ASP A 172 12.867 -17.059 4.747 1.00 0.70 H new ATOM 0 HB3 ASP A 172 13.757 -15.924 5.743 1.00 0.70 H new ATOM 2664 N VAL A 173 14.337 -13.863 3.947 1.00 0.51 N ATOM 2665 CA VAL A 173 15.331 -12.801 4.007 1.00 0.49 C ATOM 2666 C VAL A 173 14.795 -11.528 3.357 1.00 0.42 C ATOM 2667 O VAL A 173 14.950 -10.429 3.892 1.00 0.43 O ATOM 2668 CB VAL A 173 16.636 -13.222 3.296 1.00 0.55 C ATOM 2669 CG1 VAL A 173 17.718 -12.170 3.474 1.00 0.58 C ATOM 2670 CG2 VAL A 173 17.120 -14.564 3.816 1.00 0.65 C ATOM 0 H VAL A 173 14.581 -14.629 3.320 1.00 0.51 H new ATOM 0 HA VAL A 173 15.545 -12.610 5.059 1.00 0.49 H new ATOM 0 HB VAL A 173 16.421 -13.316 2.232 1.00 0.55 H new ATOM 0 HG11 VAL A 173 18.626 -12.492 2.964 1.00 0.58 H new ATOM 0 HG12 VAL A 173 17.379 -11.224 3.051 1.00 0.58 H new ATOM 0 HG13 VAL A 173 17.926 -12.038 4.536 1.00 0.58 H new ATOM 0 HG21 VAL A 173 18.040 -14.843 3.303 1.00 0.65 H new ATOM 0 HG22 VAL A 173 17.309 -14.492 4.887 1.00 0.65 H new ATOM 0 HG23 VAL A 173 16.358 -15.322 3.632 1.00 0.65 H new ATOM 2680 N PHE A 174 14.152 -11.707 2.205 1.00 0.42 N ATOM 2681 CA PHE A 174 13.575 -10.602 1.441 1.00 0.38 C ATOM 2682 C PHE A 174 12.643 -9.756 2.301 1.00 0.35 C ATOM 2683 O PHE A 174 12.725 -8.529 2.290 1.00 0.35 O ATOM 2684 CB PHE A 174 12.817 -11.153 0.229 1.00 0.41 C ATOM 2685 CG PHE A 174 12.155 -10.094 -0.609 1.00 0.39 C ATOM 2686 CD1 PHE A 174 12.914 -9.189 -1.331 1.00 0.42 C ATOM 2687 CD2 PHE A 174 10.775 -10.009 -0.671 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.308 -8.214 -2.101 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.163 -9.036 -1.440 1.00 0.47 C ATOM 2690 CZ PHE A 174 10.931 -8.139 -2.156 1.00 0.45 C ATOM 0 H PHE A 174 14.016 -12.622 1.775 1.00 0.42 H new ATOM 0 HA PHE A 174 14.389 -9.961 1.103 1.00 0.38 H new ATOM 0 HB2 PHE A 174 13.511 -11.716 -0.396 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.059 -11.855 0.576 1.00 0.41 H new ATOM 0 HD1 PHE A 174 13.992 -9.245 -1.292 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.170 -10.709 -0.114 1.00 0.44 H new ATOM 0 HE1 PHE A 174 12.911 -7.512 -2.658 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.085 -8.978 -1.481 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.455 -7.380 -2.758 1.00 0.45 H new ATOM 2700 N VAL A 175 11.773 -10.418 3.055 1.00 0.37 N ATOM 2701 CA VAL A 175 10.821 -9.727 3.917 1.00 0.37 C ATOM 2702 C VAL A 175 11.531 -8.820 4.916 1.00 0.35 C ATOM 2703 O VAL A 175 11.221 -7.632 5.026 1.00 0.36 O ATOM 2704 CB VAL A 175 9.935 -10.722 4.694 1.00 0.41 C ATOM 2705 CG1 VAL A 175 8.928 -9.986 5.563 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.221 -11.669 3.745 1.00 0.45 C ATOM 0 H VAL A 175 11.707 -11.435 3.087 1.00 0.37 H new ATOM 0 HA VAL A 175 10.194 -9.123 3.262 1.00 0.37 H new ATOM 0 HB VAL A 175 10.584 -11.311 5.342 1.00 0.41 H new ATOM 0 HG11 VAL A 175 8.315 -10.709 6.101 1.00 0.48 H new ATOM 0 HG12 VAL A 175 9.457 -9.355 6.278 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.290 -9.365 4.934 1.00 0.48 H new ATOM 0 HG21 VAL A 175 8.603 -12.360 4.318 1.00 0.45 H new ATOM 0 HG22 VAL A 175 8.590 -11.096 3.065 1.00 0.45 H new ATOM 0 HG23 VAL A 175 9.957 -12.231 3.170 1.00 0.45 H new ATOM 2716 N GLN A 176 12.501 -9.381 5.629 1.00 0.37 N ATOM 2717 CA GLN A 176 13.239 -8.625 6.634 1.00 0.39 C ATOM 2718 C GLN A 176 14.070 -7.517 5.999 1.00 0.38 C ATOM 2719 O GLN A 176 14.062 -6.385 6.478 1.00 0.40 O ATOM 2720 CB GLN A 176 14.135 -9.550 7.456 1.00 0.44 C ATOM 2721 CG GLN A 176 13.363 -10.526 8.325 1.00 0.64 C ATOM 2722 CD GLN A 176 12.392 -9.837 9.267 1.00 0.81 C ATOM 2723 OE1 GLN A 176 12.630 -8.720 9.729 1.00 1.70 O ATOM 2724 NE2 GLN A 176 11.292 -10.505 9.558 1.00 1.11 N ATOM 0 H GLN A 176 12.794 -10.353 5.530 1.00 0.37 H new ATOM 0 HA GLN A 176 12.508 -8.162 7.297 1.00 0.39 H new ATOM 0 HB2 GLN A 176 14.782 -10.110 6.781 1.00 0.44 H new ATOM 0 HB3 GLN A 176 14.783 -8.945 8.090 1.00 0.44 H new ATOM 0 HG2 GLN A 176 12.813 -11.217 7.686 1.00 0.64 H new ATOM 0 HG3 GLN A 176 14.066 -11.121 8.908 1.00 0.64 H new ATOM 0 HE21 GLN A 176 11.134 -11.428 9.154 1.00 1.11 H new ATOM 0 HE22 GLN A 176 10.600 -10.098 10.187 1.00 1.11 H new ATOM 2733 N GLN A 177 14.763 -7.840 4.911 1.00 0.37 N ATOM 2734 CA GLN A 177 15.606 -6.868 4.222 1.00 0.39 C ATOM 2735 C GLN A 177 14.782 -5.687 3.711 1.00 0.37 C ATOM 2736 O GLN A 177 15.169 -4.530 3.896 1.00 0.39 O ATOM 2737 CB GLN A 177 16.354 -7.526 3.060 1.00 0.42 C ATOM 2738 CG GLN A 177 17.339 -6.588 2.381 1.00 0.56 C ATOM 2739 CD GLN A 177 18.209 -7.282 1.354 1.00 0.58 C ATOM 2740 OE1 GLN A 177 18.503 -8.471 1.461 1.00 1.02 O ATOM 2741 NE2 GLN A 177 18.628 -6.539 0.344 1.00 1.32 N ATOM 0 H GLN A 177 14.757 -8.768 4.487 1.00 0.37 H new ATOM 0 HA GLN A 177 16.334 -6.494 4.942 1.00 0.39 H new ATOM 0 HB2 GLN A 177 16.889 -8.401 3.429 1.00 0.42 H new ATOM 0 HB3 GLN A 177 15.632 -7.880 2.324 1.00 0.42 H new ATOM 0 HG2 GLN A 177 16.789 -5.781 1.897 1.00 0.56 H new ATOM 0 HG3 GLN A 177 17.976 -6.130 3.138 1.00 0.56 H new ATOM 0 HE21 GLN A 177 18.363 -5.556 0.290 1.00 1.32 H new ATOM 0 HE22 GLN A 177 19.216 -6.949 -0.381 1.00 1.32 H new ATOM 2750 N TYR A 178 13.645 -5.982 3.091 1.00 0.36 N ATOM 2751 CA TYR A 178 12.773 -4.940 2.551 1.00 0.36 C ATOM 2752 C TYR A 178 12.317 -3.995 3.662 1.00 0.36 C ATOM 2753 O TYR A 178 12.496 -2.778 3.571 1.00 0.39 O ATOM 2754 CB TYR A 178 11.549 -5.565 1.862 1.00 0.37 C ATOM 2755 CG TYR A 178 10.855 -4.648 0.875 1.00 0.36 C ATOM 2756 CD1 TYR A 178 9.917 -3.713 1.296 1.00 0.40 C ATOM 2757 CD2 TYR A 178 11.135 -4.729 -0.482 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.280 -2.886 0.391 1.00 0.42 C ATOM 2759 CE2 TYR A 178 10.504 -3.907 -1.393 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.577 -2.985 -0.951 1.00 0.40 C ATOM 2761 OH TYR A 178 8.939 -2.158 -1.851 1.00 0.45 O ATOM 0 H TYR A 178 13.304 -6.933 2.949 1.00 0.36 H new ATOM 0 HA TYR A 178 13.339 -4.371 1.814 1.00 0.36 H new ATOM 0 HB2 TYR A 178 11.862 -6.470 1.341 1.00 0.37 H new ATOM 0 HB3 TYR A 178 10.832 -5.868 2.625 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.682 -3.632 2.347 1.00 0.40 H new ATOM 0 HD2 TYR A 178 11.860 -5.449 -0.831 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.553 -2.165 0.734 1.00 0.42 H new ATOM 0 HE2 TYR A 178 10.734 -3.985 -2.445 1.00 0.46 H new ATOM 0 HH TYR A 178 9.259 -2.351 -2.757 1.00 0.45 H new ATOM 2771 N ALA A 179 11.760 -4.570 4.722 1.00 0.35 N ATOM 2772 CA ALA A 179 11.256 -3.790 5.848 1.00 0.37 C ATOM 2773 C ALA A 179 12.377 -3.059 6.586 1.00 0.39 C ATOM 2774 O ALA A 179 12.192 -1.935 7.045 1.00 0.43 O ATOM 2775 CB ALA A 179 10.486 -4.688 6.800 1.00 0.39 C ATOM 0 H ALA A 179 11.645 -5.578 4.826 1.00 0.35 H new ATOM 0 HA ALA A 179 10.584 -3.029 5.450 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.114 -4.097 7.637 1.00 0.39 H new ATOM 0 HB2 ALA A 179 9.646 -5.141 6.274 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.145 -5.472 7.174 1.00 0.39 H new ATOM 2781 N ASP A 180 13.538 -3.698 6.699 1.00 0.39 N ATOM 2782 CA ASP A 180 14.683 -3.091 7.384 1.00 0.44 C ATOM 2783 C ASP A 180 15.167 -1.866 6.623 1.00 0.44 C ATOM 2784 O ASP A 180 15.583 -0.871 7.219 1.00 0.49 O ATOM 2785 CB ASP A 180 15.833 -4.092 7.531 1.00 0.48 C ATOM 2786 CG ASP A 180 16.631 -3.885 8.809 1.00 0.80 C ATOM 2787 OD1 ASP A 180 16.983 -2.728 9.127 1.00 1.40 O1- ATOM 2788 OD2 ASP A 180 16.910 -4.884 9.506 1.00 1.55 O ATOM 0 H ASP A 180 13.714 -4.632 6.328 1.00 0.39 H new ATOM 0 HA ASP A 180 14.354 -2.791 8.379 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.431 -5.105 7.518 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.499 -4.003 6.673 1.00 0.48 H new ATOM 2793 N THR A 181 15.108 -1.946 5.297 1.00 0.42 N ATOM 2794 CA THR A 181 15.514 -0.834 4.448 1.00 0.43 C ATOM 2795 C THR A 181 14.607 0.369 4.697 1.00 0.42 C ATOM 2796 O THR A 181 15.077 1.503 4.799 1.00 0.45 O ATOM 2797 CB THR A 181 15.472 -1.220 2.953 1.00 0.44 C ATOM 2798 OG1 THR A 181 16.271 -2.388 2.723 1.00 0.47 O ATOM 2799 CG2 THR A 181 15.984 -0.087 2.074 1.00 0.48 C ATOM 0 H THR A 181 14.783 -2.769 4.789 1.00 0.42 H new ATOM 0 HA THR A 181 16.542 -0.576 4.702 1.00 0.43 H new ATOM 0 HB THR A 181 14.433 -1.422 2.693 1.00 0.44 H new ATOM 0 HG1 THR A 181 15.846 -3.163 3.146 1.00 0.47 H new ATOM 0 HG21 THR A 181 15.942 -0.390 1.028 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.363 0.797 2.221 1.00 0.48 H new ATOM 0 HG23 THR A 181 17.015 0.145 2.343 1.00 0.48 H new ATOM 2807 N VAL A 182 13.305 0.109 4.814 1.00 0.40 N ATOM 2808 CA VAL A 182 12.329 1.163 5.072 1.00 0.40 C ATOM 2809 C VAL A 182 12.602 1.820 6.425 1.00 0.44 C ATOM 2810 O VAL A 182 12.553 3.046 6.559 1.00 0.48 O ATOM 2811 CB VAL A 182 10.890 0.605 5.069 1.00 0.40 C ATOM 2812 CG1 VAL A 182 9.873 1.723 5.243 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.617 -0.173 3.794 1.00 0.39 C ATOM 0 H VAL A 182 12.903 -0.825 4.734 1.00 0.40 H new ATOM 0 HA VAL A 182 12.425 1.901 4.275 1.00 0.40 H new ATOM 0 HB VAL A 182 10.792 -0.077 5.914 1.00 0.40 H new ATOM 0 HG11 VAL A 182 8.867 1.304 5.237 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.049 2.231 6.191 1.00 0.43 H new ATOM 0 HG13 VAL A 182 9.973 2.437 4.425 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.597 -0.557 3.813 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.741 0.484 2.933 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.317 -1.005 3.719 1.00 0.39 H new ATOM 2823 N LYS A 183 12.907 0.984 7.414 1.00 0.44 N ATOM 2824 CA LYS A 183 13.196 1.437 8.770 1.00 0.50 C ATOM 2825 C LYS A 183 14.434 2.333 8.796 1.00 0.53 C ATOM 2826 O LYS A 183 14.534 3.258 9.605 1.00 0.60 O ATOM 2827 CB LYS A 183 13.392 0.226 9.687 1.00 0.53 C ATOM 2828 CG LYS A 183 13.704 0.593 11.126 1.00 0.60 C ATOM 2829 CD LYS A 183 13.939 -0.642 11.974 1.00 0.75 C ATOM 2830 CE LYS A 183 14.859 -0.349 13.148 1.00 0.93 C ATOM 2831 NZ LYS A 183 14.429 0.851 13.911 1.00 1.59 N1+ ATOM 0 H LYS A 183 12.961 -0.028 7.297 1.00 0.44 H new ATOM 0 HA LYS A 183 12.351 2.025 9.128 1.00 0.50 H new ATOM 0 HB2 LYS A 183 12.490 -0.385 9.665 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.202 -0.388 9.294 1.00 0.53 H new ATOM 0 HG2 LYS A 183 14.587 1.231 11.157 1.00 0.60 H new ATOM 0 HG3 LYS A 183 12.879 1.171 11.543 1.00 0.60 H new ATOM 0 HD2 LYS A 183 12.985 -1.017 12.344 1.00 0.75 H new ATOM 0 HD3 LYS A 183 14.374 -1.429 11.358 1.00 0.75 H new ATOM 0 HE2 LYS A 183 14.882 -1.212 13.814 1.00 0.93 H new ATOM 0 HE3 LYS A 183 15.875 -0.201 12.783 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 14.940 0.889 14.816 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 14.639 1.707 13.359 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 13.406 0.798 14.093 1.00 1.59 H new ATOM 2845 N TYR A 184 15.375 2.059 7.905 1.00 0.52 N ATOM 2846 CA TYR A 184 16.594 2.846 7.823 1.00 0.57 C ATOM 2847 C TYR A 184 16.341 4.163 7.097 1.00 0.58 C ATOM 2848 O TYR A 184 16.758 5.224 7.555 1.00 0.65 O ATOM 2849 CB TYR A 184 17.692 2.056 7.105 1.00 0.60 C ATOM 2850 CG TYR A 184 18.922 2.878 6.782 1.00 0.70 C ATOM 2851 CD1 TYR A 184 19.800 3.269 7.784 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.201 3.267 5.477 1.00 0.74 C ATOM 2853 CE1 TYR A 184 20.920 4.025 7.496 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.320 4.020 5.182 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.176 4.398 6.195 1.00 0.99 C ATOM 2856 OH TYR A 184 22.289 5.154 5.903 1.00 1.17 O ATOM 0 H TYR A 184 15.317 1.297 7.229 1.00 0.52 H new ATOM 0 HA TYR A 184 16.923 3.067 8.838 1.00 0.57 H new ATOM 0 HB2 TYR A 184 17.984 1.210 7.727 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.287 1.646 6.180 1.00 0.60 H new ATOM 0 HD1 TYR A 184 19.604 2.977 8.805 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.532 2.976 4.681 1.00 0.74 H new ATOM 0 HE1 TYR A 184 21.592 4.322 8.288 1.00 0.99 H new ATOM 0 HE2 TYR A 184 20.524 4.312 4.162 1.00 0.88 H new ATOM 0 HH TYR A 184 22.322 5.329 4.939 1.00 1.17 H new ATOM 2866 N LEU A 185 15.646 4.085 5.969 1.00 0.54 N ATOM 2867 CA LEU A 185 15.354 5.259 5.155 1.00 0.57 C ATOM 2868 C LEU A 185 14.517 6.294 5.903 1.00 0.59 C ATOM 2869 O LEU A 185 14.703 7.494 5.718 1.00 0.68 O ATOM 2870 CB LEU A 185 14.639 4.843 3.867 1.00 0.54 C ATOM 2871 CG LEU A 185 15.461 3.958 2.924 1.00 0.54 C ATOM 2872 CD1 LEU A 185 14.602 3.475 1.763 1.00 0.53 C ATOM 2873 CD2 LEU A 185 16.694 4.702 2.420 1.00 0.61 C ATOM 0 H LEU A 185 15.271 3.213 5.594 1.00 0.54 H new ATOM 0 HA LEU A 185 16.309 5.726 4.913 1.00 0.57 H new ATOM 0 HB2 LEU A 185 13.724 4.313 4.133 1.00 0.54 H new ATOM 0 HB3 LEU A 185 14.341 5.743 3.328 1.00 0.54 H new ATOM 0 HG LEU A 185 15.802 3.085 3.481 1.00 0.54 H new ATOM 0 HD11 LEU A 185 15.201 2.848 1.103 1.00 0.53 H new ATOM 0 HD12 LEU A 185 13.762 2.897 2.148 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.227 4.334 1.206 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.262 4.054 1.752 1.00 0.61 H new ATOM 0 HD22 LEU A 185 16.384 5.597 1.880 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.318 4.987 3.267 1.00 0.61 H new ATOM 2885 N SER A 186 13.616 5.838 6.763 1.00 0.55 N ATOM 2886 CA SER A 186 12.754 6.749 7.510 1.00 0.60 C ATOM 2887 C SER A 186 13.525 7.510 8.588 1.00 0.65 C ATOM 2888 O SER A 186 13.090 8.568 9.040 1.00 0.73 O ATOM 2889 CB SER A 186 11.585 5.983 8.132 1.00 0.59 C ATOM 2890 OG SER A 186 11.998 4.708 8.585 1.00 1.07 O ATOM 0 H SER A 186 13.462 4.849 6.961 1.00 0.55 H new ATOM 0 HA SER A 186 12.366 7.485 6.806 1.00 0.60 H new ATOM 0 HB2 SER A 186 11.174 6.553 8.965 1.00 0.59 H new ATOM 0 HB3 SER A 186 10.787 5.871 7.398 1.00 0.59 H new ATOM 0 HG SER A 186 11.959 4.069 7.843 1.00 1.07 H new ATOM 2896 N GLU A 187 14.664 6.974 8.998 1.00 0.66 N ATOM 2897 CA GLU A 187 15.479 7.620 10.020 1.00 0.76 C ATOM 2898 C GLU A 187 16.688 8.305 9.392 1.00 0.82 C ATOM 2899 O GLU A 187 17.429 9.028 10.061 1.00 0.98 O ATOM 2900 CB GLU A 187 15.930 6.595 11.059 1.00 0.80 C ATOM 2901 CG GLU A 187 14.776 5.891 11.750 1.00 1.10 C ATOM 2902 CD GLU A 187 14.966 5.793 13.245 1.00 1.56 C ATOM 2903 OE1 GLU A 187 15.623 4.837 13.708 1.00 2.01 O ATOM 2904 OE2 GLU A 187 14.456 6.671 13.968 1.00 2.26 O1- ATOM 0 H GLU A 187 15.045 6.098 8.642 1.00 0.66 H new ATOM 0 HA GLU A 187 14.874 8.380 10.515 1.00 0.76 H new ATOM 0 HB2 GLU A 187 16.562 5.851 10.574 1.00 0.80 H new ATOM 0 HB3 GLU A 187 16.543 7.094 11.809 1.00 0.80 H new ATOM 0 HG2 GLU A 187 13.850 6.427 11.540 1.00 1.10 H new ATOM 0 HG3 GLU A 187 14.666 4.889 11.335 1.00 1.10 H new ATOM 2911 N LYS A 188 16.873 8.063 8.100 1.00 0.79 N ATOM 2912 CA LYS A 188 17.980 8.638 7.347 1.00 0.86 C ATOM 2913 C LYS A 188 17.673 10.083 6.963 1.00 0.99 C ATOM 2914 O LYS A 188 18.581 10.906 6.835 1.00 1.46 O ATOM 2915 CB LYS A 188 18.240 7.793 6.093 1.00 0.82 C ATOM 2916 CG LYS A 188 19.457 8.221 5.288 1.00 0.95 C ATOM 2917 CD LYS A 188 19.627 7.357 4.049 1.00 1.00 C ATOM 2918 CE LYS A 188 20.956 7.613 3.359 1.00 1.25 C ATOM 2919 NZ LYS A 188 20.908 8.805 2.471 1.00 1.72 N1+ ATOM 0 H LYS A 188 16.261 7.464 7.546 1.00 0.79 H new ATOM 0 HA LYS A 188 18.874 8.636 7.971 1.00 0.86 H new ATOM 0 HB2 LYS A 188 18.364 6.752 6.391 1.00 0.82 H new ATOM 0 HB3 LYS A 188 17.361 7.838 5.451 1.00 0.82 H new ATOM 0 HG2 LYS A 188 19.354 9.266 4.995 1.00 0.95 H new ATOM 0 HG3 LYS A 188 20.350 8.151 5.909 1.00 0.95 H new ATOM 0 HD2 LYS A 188 19.559 6.305 4.327 1.00 1.00 H new ATOM 0 HD3 LYS A 188 18.812 7.556 3.353 1.00 1.00 H new ATOM 0 HE2 LYS A 188 21.733 7.753 4.111 1.00 1.25 H new ATOM 0 HE3 LYS A 188 21.234 6.737 2.773 1.00 1.25 H new ATOM 0 HZ1 LYS A 188 21.349 8.575 1.557 1.00 1.72 H new ATOM 0 HZ2 LYS A 188 19.918 9.084 2.318 1.00 1.72 H new ATOM 0 HZ3 LYS A 188 21.424 9.591 2.916 1.00 1.72 H new ATOM 2933 N LYS A 189 16.396 10.384 6.798 1.00 1.41 N ATOM 2934 CA LYS A 189 15.967 11.721 6.434 1.00 1.63 C ATOM 2935 C LYS A 189 16.083 12.651 7.638 1.00 2.24 C ATOM 2936 O LYS A 189 16.963 13.540 7.623 1.00 2.81 O ATOM 2937 CB LYS A 189 14.524 11.686 5.915 1.00 2.37 C ATOM 2938 CG LYS A 189 14.151 12.866 5.025 1.00 2.87 C ATOM 2939 CD LYS A 189 13.514 14.000 5.819 1.00 3.48 C ATOM 2940 CE LYS A 189 14.470 15.171 5.987 1.00 3.91 C ATOM 2941 NZ LYS A 189 14.005 16.131 7.023 1.00 4.33 N1+ ATOM 2942 OXT LYS A 189 15.303 12.483 8.597 1.00 2.89 O1- ATOM 0 H LYS A 189 15.635 9.715 6.912 1.00 1.41 H new ATOM 0 HA LYS A 189 16.611 12.100 5.640 1.00 1.63 H new ATOM 0 HB2 LYS A 189 14.373 10.762 5.357 1.00 2.37 H new ATOM 0 HB3 LYS A 189 13.844 11.658 6.767 1.00 2.37 H new ATOM 0 HG2 LYS A 189 15.043 13.234 4.518 1.00 2.87 H new ATOM 0 HG3 LYS A 189 13.460 12.532 4.251 1.00 2.87 H new ATOM 0 HD2 LYS A 189 12.610 14.337 5.312 1.00 3.48 H new ATOM 0 HD3 LYS A 189 13.211 13.633 6.800 1.00 3.48 H new ATOM 0 HE2 LYS A 189 15.457 14.796 6.258 1.00 3.91 H new ATOM 0 HE3 LYS A 189 14.577 15.690 5.035 1.00 3.91 H new ATOM 0 HZ1 LYS A 189 14.687 16.912 7.103 1.00 4.33 H new ATOM 0 HZ2 LYS A 189 13.075 16.510 6.753 1.00 4.33 H new ATOM 0 HZ3 LYS A 189 13.928 15.643 7.938 1.00 4.33 H new TER 2956 LYS A 189 HETATM 2957 O3 SFQ A 201 8.371 -9.164 -8.926 1.00 2.80 O HETATM 2958 C13 SFQ A 201 8.471 -9.919 -7.937 1.00 2.19 C HETATM 2959 O4 SFQ A 201 7.639 -10.842 -7.782 1.00 2.04 O HETATM 2960 C8 SFQ A 201 9.542 -9.788 -7.058 1.00 1.95 C HETATM 2961 C9 SFQ A 201 10.549 -8.870 -7.331 1.00 2.61 C HETATM 2962 C10 SFQ A 201 11.649 -8.776 -6.484 1.00 2.73 C HETATM 2963 C11 SFQ A 201 11.747 -9.602 -5.370 1.00 2.07 C HETATM 2964 C12 SFQ A 201 10.742 -10.519 -5.091 1.00 1.25 C HETATM 2965 C7 SFQ A 201 9.643 -10.607 -5.938 1.00 1.28 C HETATM 2966 N1 SFQ A 201 8.635 -11.450 -5.724 1.00 1.26 N HETATM 2967 S1 SFQ A 201 8.743 -12.422 -4.419 1.00 1.32 S HETATM 2968 O1 SFQ A 201 7.419 -13.165 -4.228 1.00 1.89 O HETATM 2969 O2 SFQ A 201 9.026 -11.584 -3.170 1.00 2.07 O HETATM 2970 C4 SFQ A 201 10.025 -13.592 -4.646 1.00 1.37 C HETATM 2971 C2 SFQ A 201 11.062 -13.674 -3.723 1.00 2.11 C HETATM 2972 C1 SFQ A 201 12.076 -14.607 -3.898 1.00 2.79 C HETATM 2973 C3 SFQ A 201 12.051 -15.462 -4.996 1.00 2.87 C HETATM 2974 I1 SFQ A 201 13.576 -16.872 -5.262 1.00 4.24 I HETATM 2975 C6 SFQ A 201 11.016 -15.379 -5.919 1.00 2.39 C HETATM 2976 C5 SFQ A 201 10.004 -14.441 -5.746 1.00 1.65 C