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 3 TYR OH : rot 153:sc= 0.274 USER MOD Set 1.2: A 166 MET CE :methyl 175:sc= -0.425 (180deg=-0.459) USER MOD Set 1.3: A 181 THR OG1 : rot -43:sc= 1.09 USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 137 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Set 3.1: A 99 THR OG1 : rot 115:sc= 0.619 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 1.03 USER MOD Set 4.1: A 27 SER OG : rot 61:sc= 1.35 USER MOD Set 4.2: A 60 HIS : no HE2:sc= 0.507 K(o=3.3,f=-11!) USER MOD Set 4.3: A 62 ASN : amide:sc= -0.776 K(o=3.3,f=-2.3!) USER MOD Set 4.4: A 73 THR OG1 : rot 136:sc= 2.23 USER MOD Set 5.1: A 43 SER OG : rot -67:sc= 2 USER MOD Set 5.2: A 58 LYS NZ :NH3+ 169:sc= 2.04 (180deg=0.593) USER MOD Set 6.1: A 45 ASN : amide:sc= -1.22 K(o=0.36,f=-2.5!) USER MOD Set 6.2: A 49 LYS NZ :NH3+ -164:sc= 0.842 (180deg=0) USER MOD Set 6.3: A 176 GLN : amide:sc= 0.736 K(o=0.36,f=-3.7) USER MOD Set 7.1: A 30 CYS SG : rot 70:sc= 0.0937 USER MOD Set 7.2: A 33 CYS SG : rot 61:sc= -0.554 USER MOD Set 8.1: A 32 HIS : no HE2:sc= -3.76! C(o=-2.9!,f=-6.9!) USER MOD Set 8.2: A 35 GLN : amide:sc= 0.876 K(o=-2.9,f=-7.2!) USER MOD Single : A 1 ALA N :NH3+ -146:sc= 1.06 (180deg=0.287) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 1.06 K(o=1.1,f=-13!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 41:sc= 0.0115 USER MOD Single : A 11 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00771) USER MOD Single : A 21 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.2!) USER MOD Single : A 34 TYR OH : rot 31:sc= 1.28 USER MOD Single : A 41 HIS : no HE2:sc= 0.514 K(o=0.51,f=-7.2!) USER MOD Single : A 47 LYS NZ :NH3+ -110:sc= 0.958 (180deg=-0.81) USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 0.57 (180deg=0.0152) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -138:sc= -0.0023 (180deg=-0.0973) USER MOD Single : A 57 THR OG1 : rot 78:sc= 0.135 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.12) USER MOD Single : A 74 GLN : amide:sc= 0.646 K(o=0.65,f=-1.8!) USER MOD Single : A 80 MET CE :methyl -137:sc= 0 (180deg=-1.87) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 29:sc= 1.26 USER MOD Single : A 97 GLN : amide:sc= -1.43! C(o=-1.4!,f=-7.7!) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= 0.8 (180deg=0.774) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -83:sc= 0.159 USER MOD Single : A 114 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 145:sc= -0.157 (180deg=-0.724) USER MOD Single : A 122 TYR OH : rot -109:sc= 0.263 USER MOD Single : A 127 ASN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= -0.215! C(o=-0.21!,f=-5.5!) USER MOD Single : A 140 LYS NZ :NH3+ -152:sc= 1.18 (180deg=0.976) USER MOD Single : A 146 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 153 MET CE :methyl -167:sc= -1.48 (180deg=-1.67) USER MOD Single : A 156 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.1!) USER MOD Single : A 158 LYS NZ :NH3+ 167:sc= -0.0384 (180deg=-0.236) USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= -0.189 K(o=-0.19,f=-4.2!) USER MOD Single : A 162 ASN : amide:sc= -0.21 K(o=-0.21,f=-4!) USER MOD Single : A 164 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 56:sc= 0.987 USER MOD Single : A 170 ASN : amide:sc= 0.0111 K(o=0.011,f=-6.4!) USER MOD Single : A 171 MET CE :methyl 178:sc= 0 (180deg=-0.0029) USER MOD Single : A 177 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 178 TYR OH : rot 165:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 57:sc= 1.26 USER MOD Single : A 188 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0.976) USER MOD Single : A 189 LYS NZ :NH3+ 165:sc= -0.0192 (180deg=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.581 -3.908 8.216 1.00 4.06 N ATOM 2 CA ALA A 1 21.581 -4.518 7.309 1.00 3.55 C ATOM 3 C ALA A 1 22.297 -3.439 6.507 1.00 2.45 C ATOM 4 O ALA A 1 22.043 -2.251 6.697 1.00 2.64 O ATOM 5 CB ALA A 1 20.904 -5.515 6.384 1.00 4.08 C ATOM 0 H1 ALA A 1 20.523 -4.464 9.093 1.00 4.06 H new ATOM 0 H2 ALA A 1 20.866 -2.934 8.442 1.00 4.06 H new ATOM 0 H3 ALA A 1 19.651 -3.898 7.751 1.00 4.06 H new ATOM 0 HA ALA A 1 22.323 -5.047 7.906 1.00 3.55 H new ATOM 0 HB1 ALA A 1 21.647 -5.958 5.721 1.00 4.08 H new ATOM 0 HB2 ALA A 1 20.432 -6.299 6.977 1.00 4.08 H new ATOM 0 HB3 ALA A 1 20.146 -5.004 5.790 1.00 4.08 H new ATOM 13 N GLN A 2 23.206 -3.852 5.628 1.00 1.87 N ATOM 14 CA GLN A 2 23.945 -2.908 4.796 1.00 1.08 C ATOM 15 C GLN A 2 23.123 -2.547 3.562 1.00 0.98 C ATOM 16 O GLN A 2 22.541 -3.423 2.921 1.00 1.20 O ATOM 17 CB GLN A 2 25.301 -3.489 4.381 1.00 1.59 C ATOM 18 CG GLN A 2 25.202 -4.743 3.524 1.00 2.07 C ATOM 19 CD GLN A 2 26.550 -5.200 3.011 1.00 2.84 C ATOM 20 OE1 GLN A 2 27.243 -5.975 3.667 1.00 3.18 O ATOM 21 NE2 GLN A 2 26.924 -4.732 1.832 1.00 3.58 N ATOM 0 H GLN A 2 23.448 -4.831 5.474 1.00 1.87 H new ATOM 0 HA GLN A 2 24.128 -2.005 5.378 1.00 1.08 H new ATOM 0 HB2 GLN A 2 25.857 -2.729 3.832 1.00 1.59 H new ATOM 0 HB3 GLN A 2 25.876 -3.719 5.278 1.00 1.59 H new ATOM 0 HG2 GLN A 2 24.748 -5.544 4.108 1.00 2.07 H new ATOM 0 HG3 GLN A 2 24.541 -4.551 2.679 1.00 2.07 H new ATOM 0 HE21 GLN A 2 26.317 -4.090 1.322 1.00 3.58 H new ATOM 0 HE22 GLN A 2 27.820 -5.013 1.433 1.00 3.58 H new ATOM 30 N TYR A 3 23.055 -1.262 3.238 1.00 0.86 N ATOM 31 CA TYR A 3 22.292 -0.813 2.082 1.00 0.85 C ATOM 32 C TYR A 3 23.083 0.195 1.258 1.00 0.84 C ATOM 33 O TYR A 3 23.681 1.128 1.796 1.00 0.97 O ATOM 34 CB TYR A 3 20.955 -0.217 2.529 1.00 0.91 C ATOM 35 CG TYR A 3 20.112 -1.204 3.296 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.605 -2.333 2.669 1.00 1.08 C ATOM 37 CD2 TYR A 3 19.855 -1.032 4.647 1.00 0.96 C ATOM 38 CE1 TYR A 3 18.864 -3.261 3.364 1.00 1.18 C ATOM 39 CE2 TYR A 3 19.108 -1.950 5.349 1.00 1.07 C ATOM 40 CZ TYR A 3 18.618 -3.067 4.704 1.00 1.15 C ATOM 41 OH TYR A 3 17.893 -3.998 5.406 1.00 1.32 O ATOM 0 H TYR A 3 23.517 -0.516 3.757 1.00 0.86 H new ATOM 0 HA TYR A 3 22.095 -1.677 1.448 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.141 0.658 3.151 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.403 0.125 1.654 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.795 -2.486 1.617 1.00 1.08 H new ATOM 0 HD2 TYR A 3 20.247 -0.164 5.157 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.478 -4.136 2.861 1.00 1.18 H new ATOM 0 HE2 TYR A 3 18.906 -1.797 6.399 1.00 1.07 H new ATOM 0 HH TYR A 3 18.154 -3.972 6.350 1.00 1.32 H new ATOM 51 N GLU A 4 23.089 -0.018 -0.050 1.00 0.79 N ATOM 52 CA GLU A 4 23.799 0.843 -0.983 1.00 0.81 C ATOM 53 C GLU A 4 22.822 1.429 -2.001 1.00 0.74 C ATOM 54 O GLU A 4 21.916 0.731 -2.470 1.00 0.72 O ATOM 55 CB GLU A 4 24.885 0.037 -1.707 1.00 0.88 C ATOM 56 CG GLU A 4 25.680 -0.885 -0.791 1.00 1.10 C ATOM 57 CD GLU A 4 25.695 -2.327 -1.268 1.00 1.60 C ATOM 58 OE1 GLU A 4 26.358 -2.613 -2.295 1.00 2.29 O ATOM 59 OE2 GLU A 4 25.058 -3.184 -0.614 1.00 2.08 O1- ATOM 0 H GLU A 4 22.600 -0.795 -0.495 1.00 0.79 H new ATOM 0 HA GLU A 4 24.265 1.659 -0.431 1.00 0.81 H new ATOM 0 HB2 GLU A 4 24.419 -0.559 -2.492 1.00 0.88 H new ATOM 0 HB3 GLU A 4 25.572 0.728 -2.196 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.705 -0.521 -0.719 1.00 1.10 H new ATOM 0 HG3 GLU A 4 25.256 -0.844 0.213 1.00 1.10 H new ATOM 66 N ASP A 5 22.996 2.704 -2.337 1.00 0.74 N ATOM 67 CA ASP A 5 22.121 3.363 -3.306 1.00 0.71 C ATOM 68 C ASP A 5 22.306 2.754 -4.688 1.00 0.71 C ATOM 69 O ASP A 5 23.410 2.750 -5.239 1.00 0.77 O ATOM 70 CB ASP A 5 22.385 4.871 -3.364 1.00 0.74 C ATOM 71 CG ASP A 5 21.518 5.568 -4.399 1.00 1.14 C ATOM 72 OD1 ASP A 5 20.290 5.657 -4.190 1.00 1.83 O ATOM 73 OD2 ASP A 5 22.063 6.039 -5.420 1.00 1.76 O1- ATOM 0 H ASP A 5 23.731 3.300 -1.956 1.00 0.74 H new ATOM 0 HA ASP A 5 21.093 3.209 -2.979 1.00 0.71 H new ATOM 0 HB2 ASP A 5 22.199 5.308 -2.383 1.00 0.74 H new ATOM 0 HB3 ASP A 5 23.436 5.045 -3.596 1.00 0.74 H new ATOM 78 N GLY A 6 21.222 2.238 -5.237 1.00 0.68 N ATOM 79 CA GLY A 6 21.263 1.618 -6.540 1.00 0.70 C ATOM 80 C GLY A 6 21.077 0.120 -6.454 1.00 0.71 C ATOM 81 O GLY A 6 20.721 -0.532 -7.436 1.00 0.78 O ATOM 0 H GLY A 6 20.302 2.238 -4.796 1.00 0.68 H new ATOM 0 HA2 GLY A 6 20.484 2.046 -7.171 1.00 0.70 H new ATOM 0 HA3 GLY A 6 22.217 1.839 -7.018 1.00 0.70 H new ATOM 85 N LYS A 7 21.298 -0.425 -5.267 1.00 0.69 N ATOM 86 CA LYS A 7 21.166 -1.858 -5.051 1.00 0.71 C ATOM 87 C LYS A 7 19.833 -2.187 -4.377 1.00 0.64 C ATOM 88 O LYS A 7 18.875 -2.587 -5.038 1.00 0.62 O ATOM 89 CB LYS A 7 22.334 -2.373 -4.202 1.00 0.80 C ATOM 90 CG LYS A 7 22.319 -3.881 -3.990 1.00 0.86 C ATOM 91 CD LYS A 7 22.603 -4.634 -5.276 1.00 1.04 C ATOM 92 CE LYS A 7 22.579 -6.135 -5.048 1.00 1.23 C ATOM 93 NZ LYS A 7 23.179 -6.874 -6.186 1.00 1.87 N1+ ATOM 0 H LYS A 7 21.570 0.104 -4.438 1.00 0.69 H new ATOM 0 HA LYS A 7 21.188 -2.355 -6.021 1.00 0.71 H new ATOM 0 HB2 LYS A 7 23.272 -2.092 -4.681 1.00 0.80 H new ATOM 0 HB3 LYS A 7 22.312 -1.878 -3.231 1.00 0.80 H new ATOM 0 HG2 LYS A 7 23.063 -4.150 -3.240 1.00 0.86 H new ATOM 0 HG3 LYS A 7 21.348 -4.183 -3.599 1.00 0.86 H new ATOM 0 HD2 LYS A 7 21.862 -4.366 -6.029 1.00 1.04 H new ATOM 0 HD3 LYS A 7 23.577 -4.338 -5.667 1.00 1.04 H new ATOM 0 HE2 LYS A 7 23.122 -6.373 -4.133 1.00 1.23 H new ATOM 0 HE3 LYS A 7 21.550 -6.464 -4.902 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 23.144 -7.895 -5.994 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 22.645 -6.667 -7.054 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 24.168 -6.578 -6.309 1.00 1.87 H new ATOM 107 N GLN A 8 19.765 -1.991 -3.064 1.00 0.66 N ATOM 108 CA GLN A 8 18.560 -2.291 -2.301 1.00 0.62 C ATOM 109 C GLN A 8 17.563 -1.136 -2.360 1.00 0.56 C ATOM 110 O GLN A 8 16.354 -1.342 -2.236 1.00 0.53 O ATOM 111 CB GLN A 8 18.924 -2.603 -0.845 1.00 0.68 C ATOM 112 CG GLN A 8 19.990 -3.687 -0.698 1.00 0.78 C ATOM 113 CD GLN A 8 21.400 -3.127 -0.658 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.649 -2.016 -1.122 1.00 1.46 O ATOM 115 NE2 GLN A 8 22.336 -3.893 -0.123 1.00 1.15 N ATOM 0 H GLN A 8 20.535 -1.624 -2.505 1.00 0.66 H new ATOM 0 HA GLN A 8 18.086 -3.165 -2.748 1.00 0.62 H new ATOM 0 HB2 GLN A 8 19.277 -1.691 -0.364 1.00 0.68 H new ATOM 0 HB3 GLN A 8 18.025 -2.915 -0.314 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.803 -4.252 0.215 1.00 0.78 H new ATOM 0 HG3 GLN A 8 19.906 -4.387 -1.529 1.00 0.78 H new ATOM 0 HE21 GLN A 8 22.092 -4.810 0.252 1.00 1.15 H new ATOM 0 HE22 GLN A 8 23.302 -3.567 -0.086 1.00 1.15 H new ATOM 124 N TYR A 9 18.064 0.075 -2.550 1.00 0.57 N ATOM 125 CA TYR A 9 17.204 1.247 -2.631 1.00 0.54 C ATOM 126 C TYR A 9 17.786 2.250 -3.615 1.00 0.55 C ATOM 127 O TYR A 9 18.992 2.280 -3.837 1.00 0.62 O ATOM 128 CB TYR A 9 17.016 1.887 -1.245 1.00 0.54 C ATOM 129 CG TYR A 9 18.132 2.818 -0.823 1.00 0.56 C ATOM 130 CD1 TYR A 9 19.298 2.327 -0.256 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.008 4.193 -0.986 1.00 0.59 C ATOM 132 CE1 TYR A 9 20.313 3.181 0.137 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.016 5.052 -0.600 1.00 0.65 C ATOM 134 CZ TYR A 9 20.166 4.544 -0.037 1.00 0.69 C ATOM 135 OH TYR A 9 21.169 5.406 0.359 1.00 0.79 O ATOM 0 H TYR A 9 19.060 0.272 -2.651 1.00 0.57 H new ATOM 0 HA TYR A 9 16.223 0.935 -2.988 1.00 0.54 H new ATOM 0 HB2 TYR A 9 16.077 2.441 -1.240 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.922 1.094 -0.503 1.00 0.54 H new ATOM 0 HD1 TYR A 9 19.416 1.262 -0.119 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.106 4.596 -1.423 1.00 0.59 H new ATOM 0 HE1 TYR A 9 21.216 2.784 0.578 1.00 0.70 H new ATOM 0 HE2 TYR A 9 18.904 6.117 -0.738 1.00 0.65 H new ATOM 0 HH TYR A 9 20.903 6.329 0.163 1.00 0.79 H new ATOM 145 N THR A 10 16.931 3.060 -4.198 1.00 0.53 N ATOM 146 CA THR A 10 17.362 4.059 -5.155 1.00 0.56 C ATOM 147 C THR A 10 16.845 5.437 -4.769 1.00 0.55 C ATOM 148 O THR A 10 15.661 5.604 -4.476 1.00 0.56 O ATOM 149 CB THR A 10 16.873 3.725 -6.578 1.00 0.59 C ATOM 150 OG1 THR A 10 15.644 2.983 -6.525 1.00 0.83 O ATOM 151 CG2 THR A 10 17.922 2.933 -7.348 1.00 0.90 C ATOM 0 H THR A 10 15.926 3.047 -4.026 1.00 0.53 H new ATOM 0 HA THR A 10 18.452 4.060 -5.145 1.00 0.56 H new ATOM 0 HB THR A 10 16.700 4.666 -7.100 1.00 0.59 H new ATOM 0 HG1 THR A 10 15.062 3.363 -5.835 1.00 0.83 H new ATOM 0 HG21 THR A 10 17.549 2.712 -8.348 1.00 0.90 H new ATOM 0 HG22 THR A 10 18.838 3.519 -7.424 1.00 0.90 H new ATOM 0 HG23 THR A 10 18.131 2.000 -6.824 1.00 0.90 H new ATOM 159 N THR A 11 17.731 6.416 -4.751 1.00 0.63 N ATOM 160 CA THR A 11 17.343 7.772 -4.417 1.00 0.65 C ATOM 161 C THR A 11 16.749 8.458 -5.642 1.00 0.65 C ATOM 162 O THR A 11 17.406 8.571 -6.679 1.00 0.73 O ATOM 163 CB THR A 11 18.541 8.587 -3.891 1.00 0.71 C ATOM 164 OG1 THR A 11 19.336 7.783 -3.008 1.00 1.11 O ATOM 165 CG2 THR A 11 18.067 9.833 -3.160 1.00 0.97 C ATOM 0 H THR A 11 18.722 6.297 -4.963 1.00 0.63 H new ATOM 0 HA THR A 11 16.595 7.723 -3.626 1.00 0.65 H new ATOM 0 HB THR A 11 19.146 8.892 -4.745 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.811 7.100 -3.526 1.00 1.11 H new ATOM 0 HG21 THR A 11 18.929 10.392 -2.798 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.490 10.457 -3.842 1.00 0.97 H new ATOM 0 HG23 THR A 11 17.441 9.544 -2.316 1.00 0.97 H new ATOM 173 N LEU A 12 15.501 8.889 -5.521 1.00 0.63 N ATOM 174 CA LEU A 12 14.804 9.549 -6.617 1.00 0.65 C ATOM 175 C LEU A 12 15.418 10.908 -6.924 1.00 0.69 C ATOM 176 O LEU A 12 15.738 11.679 -6.015 1.00 0.71 O ATOM 177 CB LEU A 12 13.323 9.723 -6.275 1.00 0.66 C ATOM 178 CG LEU A 12 12.498 8.440 -6.292 1.00 0.67 C ATOM 179 CD1 LEU A 12 11.280 8.578 -5.394 1.00 0.74 C ATOM 180 CD2 LEU A 12 12.081 8.103 -7.716 1.00 0.72 C ATOM 0 H LEU A 12 14.948 8.793 -4.670 1.00 0.63 H new ATOM 0 HA LEU A 12 14.903 8.918 -7.500 1.00 0.65 H new ATOM 0 HB2 LEU A 12 13.245 10.173 -5.285 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.884 10.428 -6.981 1.00 0.66 H new ATOM 0 HG LEU A 12 13.112 7.625 -5.909 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.703 7.653 -5.418 1.00 0.74 H new ATOM 0 HD12 LEU A 12 11.602 8.778 -4.372 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.660 9.402 -5.746 1.00 0.74 H new ATOM 0 HD21 LEU A 12 11.493 7.185 -7.715 1.00 0.72 H new ATOM 0 HD22 LEU A 12 11.482 8.918 -8.122 1.00 0.72 H new ATOM 0 HD23 LEU A 12 12.969 7.964 -8.332 1.00 0.72 H new ATOM 192 N GLU A 13 15.591 11.187 -8.208 1.00 0.75 N ATOM 193 CA GLU A 13 16.149 12.457 -8.643 1.00 0.81 C ATOM 194 C GLU A 13 15.079 13.533 -8.550 1.00 0.80 C ATOM 195 O GLU A 13 15.372 14.711 -8.378 1.00 0.89 O ATOM 196 CB GLU A 13 16.658 12.357 -10.081 1.00 0.92 C ATOM 197 CG GLU A 13 17.651 11.234 -10.303 1.00 1.05 C ATOM 198 CD GLU A 13 17.979 11.047 -11.768 1.00 1.67 C ATOM 199 OE1 GLU A 13 17.167 10.423 -12.487 1.00 2.28 O1- ATOM 200 OE2 GLU A 13 19.039 11.535 -12.214 1.00 2.33 O ATOM 0 H GLU A 13 15.352 10.549 -8.967 1.00 0.75 H new ATOM 0 HA GLU A 13 16.989 12.714 -7.997 1.00 0.81 H new ATOM 0 HB2 GLU A 13 15.808 12.215 -10.748 1.00 0.92 H new ATOM 0 HB3 GLU A 13 17.125 13.302 -10.357 1.00 0.92 H new ATOM 0 HG2 GLU A 13 18.567 11.446 -9.751 1.00 1.05 H new ATOM 0 HG3 GLU A 13 17.244 10.306 -9.902 1.00 1.05 H new ATOM 207 N LYS A 14 13.830 13.104 -8.663 1.00 0.75 N ATOM 208 CA LYS A 14 12.696 14.013 -8.591 1.00 0.76 C ATOM 209 C LYS A 14 11.782 13.599 -7.441 1.00 0.70 C ATOM 210 O LYS A 14 10.855 12.809 -7.624 1.00 0.71 O ATOM 211 CB LYS A 14 11.924 14.009 -9.915 1.00 0.84 C ATOM 212 CG LYS A 14 12.816 14.151 -11.144 1.00 1.51 C ATOM 213 CD LYS A 14 13.308 15.579 -11.317 1.00 2.21 C ATOM 214 CE LYS A 14 14.753 15.623 -11.792 1.00 3.19 C ATOM 215 NZ LYS A 14 14.931 14.956 -13.110 1.00 3.64 N1+ ATOM 0 H LYS A 14 13.576 12.126 -8.806 1.00 0.75 H new ATOM 0 HA LYS A 14 13.060 15.025 -8.411 1.00 0.76 H new ATOM 0 HB2 LYS A 14 11.358 13.081 -9.993 1.00 0.84 H new ATOM 0 HB3 LYS A 14 11.200 14.824 -9.906 1.00 0.84 H new ATOM 0 HG2 LYS A 14 13.670 13.480 -11.054 1.00 1.51 H new ATOM 0 HG3 LYS A 14 12.263 13.846 -12.033 1.00 1.51 H new ATOM 0 HD2 LYS A 14 12.673 16.098 -12.035 1.00 2.21 H new ATOM 0 HD3 LYS A 14 13.220 16.111 -10.370 1.00 2.21 H new ATOM 0 HE2 LYS A 14 15.078 16.661 -11.865 1.00 3.19 H new ATOM 0 HE3 LYS A 14 15.392 15.140 -11.053 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 15.919 15.054 -13.418 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 14.694 13.947 -13.023 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 14.304 15.400 -13.811 1.00 3.64 H new ATOM 229 N PRO A 15 12.047 14.117 -6.234 1.00 0.70 N ATOM 230 CA PRO A 15 11.267 13.787 -5.043 1.00 0.68 C ATOM 231 C PRO A 15 9.918 14.498 -4.997 1.00 0.67 C ATOM 232 O PRO A 15 9.696 15.490 -5.698 1.00 0.76 O ATOM 233 CB PRO A 15 12.160 14.265 -3.901 1.00 0.72 C ATOM 234 CG PRO A 15 12.979 15.367 -4.475 1.00 0.85 C ATOM 235 CD PRO A 15 13.125 15.081 -5.947 1.00 0.79 C ATOM 0 HA PRO A 15 11.019 12.726 -5.004 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.565 14.616 -3.058 1.00 0.72 H new ATOM 0 HB3 PRO A 15 12.792 13.457 -3.532 1.00 0.72 H new ATOM 0 HG2 PRO A 15 12.496 16.331 -4.315 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.955 15.415 -3.992 1.00 0.85 H new ATOM 0 HD2 PRO A 15 13.018 15.988 -6.542 1.00 0.79 H new ATOM 0 HD3 PRO A 15 14.105 14.663 -6.177 1.00 0.79 H new ATOM 243 N VAL A 16 9.025 13.986 -4.161 1.00 0.62 N ATOM 244 CA VAL A 16 7.695 14.560 -4.008 1.00 0.64 C ATOM 245 C VAL A 16 7.606 15.359 -2.710 1.00 0.64 C ATOM 246 O VAL A 16 7.687 14.801 -1.615 1.00 0.66 O ATOM 247 CB VAL A 16 6.600 13.467 -4.022 1.00 0.65 C ATOM 248 CG1 VAL A 16 5.212 14.090 -4.019 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.766 12.550 -5.227 1.00 0.72 C ATOM 0 H VAL A 16 9.199 13.169 -3.575 1.00 0.62 H new ATOM 0 HA VAL A 16 7.526 15.224 -4.855 1.00 0.64 H new ATOM 0 HB VAL A 16 6.711 12.870 -3.117 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.459 13.302 -4.029 1.00 0.70 H new ATOM 0 HG12 VAL A 16 5.088 14.698 -3.123 1.00 0.70 H new ATOM 0 HG13 VAL A 16 5.093 14.717 -4.903 1.00 0.70 H new ATOM 0 HG21 VAL A 16 5.985 11.790 -5.216 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.689 13.136 -6.143 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.743 12.068 -5.185 1.00 0.72 H new ATOM 259 N ALA A 17 7.444 16.667 -2.840 1.00 0.71 N ATOM 260 CA ALA A 17 7.356 17.546 -1.680 1.00 0.75 C ATOM 261 C ALA A 17 6.023 17.380 -0.954 1.00 0.72 C ATOM 262 O ALA A 17 4.972 17.253 -1.588 1.00 0.80 O ATOM 263 CB ALA A 17 7.552 18.992 -2.107 1.00 0.89 C ATOM 0 H ALA A 17 7.371 17.145 -3.738 1.00 0.71 H new ATOM 0 HA ALA A 17 8.148 17.269 -0.984 1.00 0.75 H new ATOM 0 HB1 ALA A 17 7.485 19.641 -1.234 1.00 0.89 H new ATOM 0 HB2 ALA A 17 8.533 19.105 -2.569 1.00 0.89 H new ATOM 0 HB3 ALA A 17 6.779 19.267 -2.825 1.00 0.89 H new ATOM 269 N GLY A 18 6.076 17.365 0.371 1.00 0.71 N ATOM 270 CA GLY A 18 4.870 17.226 1.168 1.00 0.73 C ATOM 271 C GLY A 18 4.400 15.790 1.280 1.00 0.68 C ATOM 272 O GLY A 18 3.309 15.529 1.785 1.00 0.73 O ATOM 0 H GLY A 18 6.937 17.447 0.912 1.00 0.71 H new ATOM 0 HA2 GLY A 18 5.053 17.622 2.167 1.00 0.73 H new ATOM 0 HA3 GLY A 18 4.077 17.829 0.726 1.00 0.73 H new ATOM 276 N ALA A 19 5.226 14.858 0.820 1.00 0.64 N ATOM 277 CA ALA A 19 4.890 13.440 0.870 1.00 0.60 C ATOM 278 C ALA A 19 5.044 12.899 2.291 1.00 0.57 C ATOM 279 O ALA A 19 5.827 13.433 3.082 1.00 0.61 O ATOM 280 CB ALA A 19 5.761 12.654 -0.102 1.00 0.61 C ATOM 0 H ALA A 19 6.136 15.060 0.407 1.00 0.64 H new ATOM 0 HA ALA A 19 3.848 13.322 0.573 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.498 11.597 -0.053 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.599 13.022 -1.115 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.810 12.780 0.166 1.00 0.61 H new ATOM 286 N PRO A 20 4.272 11.864 2.654 1.00 0.54 N ATOM 287 CA PRO A 20 4.348 11.259 3.991 1.00 0.54 C ATOM 288 C PRO A 20 5.659 10.510 4.214 1.00 0.51 C ATOM 289 O PRO A 20 6.463 10.352 3.294 1.00 0.52 O ATOM 290 CB PRO A 20 3.168 10.287 4.012 1.00 0.55 C ATOM 291 CG PRO A 20 2.890 9.978 2.582 1.00 0.56 C ATOM 292 CD PRO A 20 3.248 11.215 1.810 1.00 0.55 C ATOM 0 HA PRO A 20 4.311 12.011 4.780 1.00 0.54 H new ATOM 0 HB2 PRO A 20 3.413 9.383 4.570 1.00 0.55 H new ATOM 0 HB3 PRO A 20 2.299 10.734 4.494 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.480 9.125 2.246 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.842 9.718 2.436 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.638 10.972 0.821 1.00 0.55 H new ATOM 0 HD3 PRO A 20 2.382 11.860 1.662 1.00 0.55 H new ATOM 300 N GLN A 21 5.864 10.045 5.439 1.00 0.52 N ATOM 301 CA GLN A 21 7.074 9.319 5.789 1.00 0.51 C ATOM 302 C GLN A 21 7.121 7.969 5.077 1.00 0.46 C ATOM 303 O GLN A 21 8.141 7.598 4.508 1.00 0.47 O ATOM 304 CB GLN A 21 7.158 9.132 7.304 1.00 0.56 C ATOM 305 CG GLN A 21 7.291 10.443 8.067 1.00 0.66 C ATOM 306 CD GLN A 21 6.981 10.297 9.543 1.00 0.93 C ATOM 307 OE1 GLN A 21 7.866 10.033 10.357 1.00 1.79 O ATOM 308 NE2 GLN A 21 5.718 10.471 9.899 1.00 0.95 N ATOM 0 H GLN A 21 5.204 10.159 6.209 1.00 0.52 H new ATOM 0 HA GLN A 21 7.934 9.903 5.462 1.00 0.51 H new ATOM 0 HB2 GLN A 21 6.266 8.608 7.648 1.00 0.56 H new ATOM 0 HB3 GLN A 21 8.012 8.496 7.538 1.00 0.56 H new ATOM 0 HG2 GLN A 21 8.305 10.825 7.949 1.00 0.66 H new ATOM 0 HG3 GLN A 21 6.619 11.182 7.631 1.00 0.66 H new ATOM 0 HE21 GLN A 21 5.015 10.689 9.193 1.00 0.95 H new ATOM 0 HE22 GLN A 21 5.448 10.387 10.879 1.00 0.95 H new ATOM 317 N VAL A 22 6.015 7.240 5.101 1.00 0.43 N ATOM 318 CA VAL A 22 5.952 5.940 4.443 1.00 0.40 C ATOM 319 C VAL A 22 4.754 5.877 3.508 1.00 0.38 C ATOM 320 O VAL A 22 3.610 5.767 3.954 1.00 0.42 O ATOM 321 CB VAL A 22 5.882 4.772 5.459 1.00 0.42 C ATOM 322 CG1 VAL A 22 5.652 3.439 4.753 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.151 4.714 6.291 1.00 0.45 C ATOM 0 H VAL A 22 5.152 7.523 5.566 1.00 0.43 H new ATOM 0 HA VAL A 22 6.872 5.828 3.870 1.00 0.40 H new ATOM 0 HB VAL A 22 5.035 4.955 6.121 1.00 0.42 H new ATOM 0 HG11 VAL A 22 5.608 2.639 5.492 1.00 0.45 H new ATOM 0 HG12 VAL A 22 4.712 3.477 4.202 1.00 0.45 H new ATOM 0 HG13 VAL A 22 6.472 3.248 4.060 1.00 0.45 H new ATOM 0 HG21 VAL A 22 7.084 3.888 6.999 1.00 0.45 H new ATOM 0 HG22 VAL A 22 8.009 4.562 5.636 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.272 5.650 6.836 1.00 0.45 H new ATOM 333 N LEU A 23 5.023 5.968 2.217 1.00 0.36 N ATOM 334 CA LEU A 23 3.979 5.917 1.212 1.00 0.36 C ATOM 335 C LEU A 23 4.049 4.592 0.465 1.00 0.32 C ATOM 336 O LEU A 23 5.070 4.262 -0.135 1.00 0.35 O ATOM 337 CB LEU A 23 4.124 7.086 0.231 1.00 0.41 C ATOM 338 CG LEU A 23 2.994 7.229 -0.791 1.00 0.46 C ATOM 339 CD1 LEU A 23 1.662 7.457 -0.094 1.00 0.51 C ATOM 340 CD2 LEU A 23 3.288 8.370 -1.754 1.00 0.53 C ATOM 0 H LEU A 23 5.964 6.078 1.839 1.00 0.36 H new ATOM 0 HA LEU A 23 3.010 5.999 1.705 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.193 8.011 0.803 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.065 6.972 -0.307 1.00 0.41 H new ATOM 0 HG LEU A 23 2.930 6.301 -1.359 1.00 0.46 H new ATOM 0 HD11 LEU A 23 0.873 7.556 -0.840 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.442 6.611 0.557 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.714 8.368 0.502 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.474 8.457 -2.474 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.381 9.302 -1.196 1.00 0.53 H new ATOM 0 HD23 LEU A 23 4.220 8.169 -2.283 1.00 0.53 H new ATOM 352 N GLU A 24 2.969 3.833 0.511 1.00 0.32 N ATOM 353 CA GLU A 24 2.915 2.543 -0.151 1.00 0.30 C ATOM 354 C GLU A 24 1.742 2.489 -1.118 1.00 0.29 C ATOM 355 O GLU A 24 0.700 3.093 -0.877 1.00 0.35 O ATOM 356 CB GLU A 24 2.798 1.431 0.889 1.00 0.36 C ATOM 357 CG GLU A 24 3.093 0.051 0.341 1.00 0.39 C ATOM 358 CD GLU A 24 2.159 -0.991 0.902 1.00 0.90 C ATOM 359 OE1 GLU A 24 2.450 -1.542 1.986 1.00 1.61 O ATOM 360 OE2 GLU A 24 1.117 -1.253 0.269 1.00 1.54 O1- ATOM 0 H GLU A 24 2.113 4.090 1.003 1.00 0.32 H new ATOM 0 HA GLU A 24 3.834 2.401 -0.720 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.484 1.640 1.710 1.00 0.36 H new ATOM 0 HB3 GLU A 24 1.790 1.439 1.305 1.00 0.36 H new ATOM 0 HG2 GLU A 24 3.008 0.067 -0.746 1.00 0.39 H new ATOM 0 HG3 GLU A 24 4.122 -0.220 0.576 1.00 0.39 H new ATOM 367 N PHE A 25 1.931 1.789 -2.221 1.00 0.27 N ATOM 368 CA PHE A 25 0.894 1.645 -3.228 1.00 0.29 C ATOM 369 C PHE A 25 0.567 0.175 -3.430 1.00 0.29 C ATOM 370 O PHE A 25 1.444 -0.684 -3.300 1.00 0.34 O ATOM 371 CB PHE A 25 1.340 2.264 -4.553 1.00 0.35 C ATOM 372 CG PHE A 25 1.378 3.765 -4.538 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.229 4.502 -4.774 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.564 4.440 -4.298 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.261 5.885 -4.768 1.00 0.52 C ATOM 376 CE2 PHE A 25 2.599 5.821 -4.287 1.00 0.50 C ATOM 377 CZ PHE A 25 1.449 6.545 -4.525 1.00 0.53 C ATOM 0 H PHE A 25 2.802 1.307 -2.444 1.00 0.27 H new ATOM 0 HA PHE A 25 0.002 2.168 -2.882 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.332 1.887 -4.804 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.665 1.935 -5.343 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.703 3.991 -4.965 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.470 3.881 -4.118 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.642 6.448 -4.953 1.00 0.52 H new ATOM 0 HE2 PHE A 25 3.529 6.335 -4.092 1.00 0.50 H new ATOM 0 HZ PHE A 25 1.478 7.625 -4.521 1.00 0.53 H new ATOM 387 N PHE A 26 -0.694 -0.105 -3.740 1.00 0.31 N ATOM 388 CA PHE A 26 -1.141 -1.472 -3.960 1.00 0.32 C ATOM 389 C PHE A 26 -2.535 -1.499 -4.592 1.00 0.34 C ATOM 390 O PHE A 26 -3.143 -0.452 -4.841 1.00 0.38 O ATOM 391 CB PHE A 26 -1.161 -2.235 -2.625 1.00 0.34 C ATOM 392 CG PHE A 26 -2.418 -2.025 -1.821 1.00 0.36 C ATOM 393 CD1 PHE A 26 -2.780 -0.760 -1.394 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.244 -3.094 -1.513 1.00 0.38 C ATOM 395 CE1 PHE A 26 -3.941 -0.563 -0.672 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.407 -2.905 -0.788 1.00 0.44 C ATOM 397 CZ PHE A 26 -4.757 -1.637 -0.372 1.00 0.51 C ATOM 0 H PHE A 26 -1.425 0.599 -3.844 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.444 -1.953 -4.646 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.043 -3.300 -2.825 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.303 -1.925 -2.028 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.147 0.084 -1.628 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -2.977 -4.087 -1.843 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.211 0.429 -0.342 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.039 -3.747 -0.548 1.00 0.44 H new ATOM 0 HZ PHE A 26 -5.668 -1.484 0.188 1.00 0.51 H new ATOM 407 N SER A 27 -3.031 -2.701 -4.856 1.00 0.35 N ATOM 408 CA SER A 27 -4.355 -2.885 -5.416 1.00 0.39 C ATOM 409 C SER A 27 -4.847 -4.291 -5.133 1.00 0.40 C ATOM 410 O SER A 27 -4.088 -5.252 -5.238 1.00 0.40 O ATOM 411 CB SER A 27 -4.362 -2.631 -6.921 1.00 0.42 C ATOM 412 OG SER A 27 -5.689 -2.456 -7.395 1.00 0.96 O ATOM 0 H SER A 27 -2.525 -3.571 -4.687 1.00 0.35 H new ATOM 0 HA SER A 27 -5.021 -2.162 -4.945 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.770 -1.744 -7.148 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.893 -3.468 -7.438 1.00 0.42 H new ATOM 0 HG SER A 27 -6.095 -1.682 -6.952 1.00 0.96 H new ATOM 418 N PHE A 28 -6.120 -4.407 -4.771 1.00 0.45 N ATOM 419 CA PHE A 28 -6.720 -5.703 -4.486 1.00 0.48 C ATOM 420 C PHE A 28 -6.849 -6.509 -5.769 1.00 0.50 C ATOM 421 O PHE A 28 -6.981 -7.728 -5.741 1.00 0.54 O ATOM 422 CB PHE A 28 -8.099 -5.523 -3.843 1.00 0.53 C ATOM 423 CG PHE A 28 -8.063 -4.760 -2.550 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.827 -5.414 -1.354 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.267 -3.390 -2.527 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.797 -4.721 -0.163 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.237 -2.691 -1.339 1.00 0.62 C ATOM 428 CZ PHE A 28 -8.000 -3.358 -0.155 1.00 0.60 C ATOM 0 H PHE A 28 -6.757 -3.617 -4.668 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.076 -6.240 -3.789 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.753 -5.004 -4.544 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.539 -6.504 -3.664 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.664 -6.482 -1.354 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.452 -2.863 -3.451 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.615 -5.246 0.763 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.399 -1.623 -1.335 1.00 0.62 H new ATOM 0 HZ PHE A 28 -7.974 -2.813 0.777 1.00 0.60 H new ATOM 438 N PHE A 29 -6.787 -5.806 -6.894 1.00 0.51 N ATOM 439 CA PHE A 29 -6.890 -6.430 -8.203 1.00 0.55 C ATOM 440 C PHE A 29 -5.541 -6.974 -8.652 1.00 0.50 C ATOM 441 O PHE A 29 -5.446 -7.647 -9.678 1.00 0.58 O ATOM 442 CB PHE A 29 -7.385 -5.416 -9.233 1.00 0.59 C ATOM 443 CG PHE A 29 -8.827 -5.021 -9.078 1.00 0.89 C ATOM 444 CD1 PHE A 29 -9.838 -5.839 -9.554 1.00 1.21 C ATOM 445 CD2 PHE A 29 -9.167 -3.820 -8.478 1.00 1.17 C ATOM 446 CE1 PHE A 29 -11.164 -5.466 -9.432 1.00 1.63 C ATOM 447 CE2 PHE A 29 -10.490 -3.445 -8.349 1.00 1.60 C ATOM 448 CZ PHE A 29 -11.489 -4.267 -8.829 1.00 1.78 C ATOM 0 H PHE A 29 -6.665 -4.794 -6.922 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.599 -7.254 -8.126 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.767 -4.520 -9.168 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -7.241 -5.831 -10.231 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -9.588 -6.778 -10.025 1.00 1.21 H new ATOM 0 HD2 PHE A 29 -8.389 -3.169 -8.107 1.00 1.17 H new ATOM 0 HE1 PHE A 29 -11.944 -6.111 -9.808 1.00 1.63 H new ATOM 0 HE2 PHE A 29 -10.742 -2.509 -7.873 1.00 1.60 H new ATOM 0 HZ PHE A 29 -12.524 -3.973 -8.733 1.00 1.78 H new ATOM 458 N CYS A 30 -4.500 -6.680 -7.886 1.00 0.46 N ATOM 459 CA CYS A 30 -3.166 -7.129 -8.228 1.00 0.44 C ATOM 460 C CYS A 30 -2.806 -8.391 -7.457 1.00 0.45 C ATOM 461 O CYS A 30 -2.738 -8.378 -6.226 1.00 0.44 O ATOM 462 CB CYS A 30 -2.145 -6.031 -7.934 1.00 0.41 C ATOM 463 SG CYS A 30 -0.450 -6.464 -8.383 1.00 0.48 S ATOM 0 H CYS A 30 -4.557 -6.134 -7.027 1.00 0.46 H new ATOM 0 HA CYS A 30 -3.148 -7.356 -9.294 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.433 -5.128 -8.472 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -2.179 -5.793 -6.871 1.00 0.41 H new ATOM 0 HG CYS A 30 -0.342 -6.507 -9.678 1.00 0.48 H new ATOM 469 N PRO A 31 -2.573 -9.502 -8.170 1.00 0.51 N ATOM 470 CA PRO A 31 -2.210 -10.774 -7.540 1.00 0.56 C ATOM 471 C PRO A 31 -0.891 -10.679 -6.777 1.00 0.50 C ATOM 472 O PRO A 31 -0.639 -11.447 -5.848 1.00 0.50 O ATOM 473 CB PRO A 31 -2.094 -11.747 -8.717 1.00 0.67 C ATOM 474 CG PRO A 31 -1.951 -10.901 -9.935 1.00 0.70 C ATOM 475 CD PRO A 31 -2.659 -9.611 -9.640 1.00 0.58 C ATOM 0 HA PRO A 31 -2.945 -11.087 -6.798 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -1.234 -12.405 -8.596 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -2.976 -12.384 -8.785 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -0.900 -10.724 -10.164 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -2.388 -11.394 -10.804 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -2.178 -8.767 -10.134 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.694 -9.633 -9.981 1.00 0.58 H new ATOM 483 N HIS A 32 -0.065 -9.712 -7.159 1.00 0.49 N ATOM 484 CA HIS A 32 1.220 -9.516 -6.513 1.00 0.48 C ATOM 485 C HIS A 32 1.039 -8.894 -5.135 1.00 0.39 C ATOM 486 O HIS A 32 1.779 -9.208 -4.208 1.00 0.42 O ATOM 487 CB HIS A 32 2.134 -8.635 -7.366 1.00 0.57 C ATOM 488 CG HIS A 32 3.558 -9.083 -7.351 1.00 0.72 C ATOM 489 ND1 HIS A 32 4.056 -9.963 -6.419 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.591 -8.771 -8.167 1.00 1.25 C ATOM 491 CE1 HIS A 32 5.333 -10.172 -6.661 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.682 -9.460 -7.714 1.00 1.42 N ATOM 0 H HIS A 32 -0.265 -9.054 -7.912 1.00 0.49 H new ATOM 0 HA HIS A 32 1.688 -10.494 -6.400 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.771 -8.632 -8.394 1.00 0.57 H new ATOM 0 HB3 HIS A 32 2.078 -7.608 -7.006 1.00 0.57 H new ATOM 0 HD1 HIS A 32 3.521 -10.386 -5.661 1.00 1.63 H new ATOM 0 HD2 HIS A 32 4.560 -8.104 -9.016 1.00 1.25 H new ATOM 0 HE1 HIS A 32 5.985 -10.818 -6.092 1.00 1.74 H new ATOM 501 N CYS A 33 0.045 -8.022 -4.999 1.00 0.37 N ATOM 502 CA CYS A 33 -0.214 -7.373 -3.719 1.00 0.32 C ATOM 503 C CYS A 33 -0.796 -8.373 -2.729 1.00 0.32 C ATOM 504 O CYS A 33 -0.534 -8.304 -1.528 1.00 0.29 O ATOM 505 CB CYS A 33 -1.158 -6.184 -3.898 1.00 0.34 C ATOM 506 SG CYS A 33 -0.514 -4.895 -4.992 1.00 0.36 S ATOM 0 H CYS A 33 -0.588 -7.751 -5.751 1.00 0.37 H new ATOM 0 HA CYS A 33 0.731 -7.001 -3.323 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -2.107 -6.543 -4.295 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -1.366 -5.747 -2.921 1.00 0.34 H new ATOM 0 HG CYS A 33 -0.311 -5.392 -6.176 1.00 0.36 H new ATOM 512 N TYR A 34 -1.574 -9.313 -3.249 1.00 0.40 N ATOM 513 CA TYR A 34 -2.184 -10.349 -2.426 1.00 0.44 C ATOM 514 C TYR A 34 -1.090 -11.202 -1.798 1.00 0.41 C ATOM 515 O TYR A 34 -1.103 -11.486 -0.604 1.00 0.41 O ATOM 516 CB TYR A 34 -3.108 -11.221 -3.283 1.00 0.55 C ATOM 517 CG TYR A 34 -3.807 -12.334 -2.526 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.952 -12.080 -1.786 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.327 -13.639 -2.566 1.00 0.94 C ATOM 520 CE1 TYR A 34 -5.602 -13.091 -1.103 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.967 -14.656 -1.884 1.00 1.02 C ATOM 522 CZ TYR A 34 -5.107 -14.378 -1.153 1.00 0.73 C ATOM 523 OH TYR A 34 -5.752 -15.391 -0.472 1.00 0.85 O ATOM 0 H TYR A 34 -1.798 -9.379 -4.242 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.776 -9.885 -1.637 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.862 -10.584 -3.744 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.524 -11.660 -4.092 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -5.343 -11.074 -1.742 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.439 -13.861 -3.140 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -6.493 -12.874 -0.533 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.579 -15.663 -1.922 1.00 1.02 H new ATOM 0 HH TYR A 34 -6.712 -15.198 -0.430 1.00 0.85 H new ATOM 533 N GLN A 35 -0.129 -11.570 -2.623 1.00 0.44 N ATOM 534 CA GLN A 35 0.992 -12.389 -2.193 1.00 0.47 C ATOM 535 C GLN A 35 1.942 -11.597 -1.293 1.00 0.37 C ATOM 536 O GLN A 35 2.471 -12.124 -0.318 1.00 0.39 O ATOM 537 CB GLN A 35 1.728 -12.908 -3.428 1.00 0.61 C ATOM 538 CG GLN A 35 2.936 -13.772 -3.117 1.00 1.02 C ATOM 539 CD GLN A 35 4.242 -13.060 -3.410 1.00 1.41 C ATOM 540 OE1 GLN A 35 4.297 -12.159 -4.247 1.00 1.89 O ATOM 541 NE2 GLN A 35 5.299 -13.464 -2.726 1.00 2.27 N ATOM 0 H GLN A 35 -0.102 -11.311 -3.609 1.00 0.44 H new ATOM 0 HA GLN A 35 0.617 -13.229 -1.609 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.031 -13.484 -4.037 1.00 0.61 H new ATOM 0 HB3 GLN A 35 2.049 -12.058 -4.029 1.00 0.61 H new ATOM 0 HG2 GLN A 35 2.911 -14.063 -2.067 1.00 1.02 H new ATOM 0 HG3 GLN A 35 2.885 -14.689 -3.704 1.00 1.02 H new ATOM 0 HE21 GLN A 35 5.207 -14.215 -2.042 1.00 2.27 H new ATOM 0 HE22 GLN A 35 6.206 -13.025 -2.883 1.00 2.27 H new ATOM 550 N PHE A 36 2.137 -10.326 -1.609 1.00 0.33 N ATOM 551 CA PHE A 36 3.035 -9.478 -0.833 1.00 0.29 C ATOM 552 C PHE A 36 2.522 -9.238 0.583 1.00 0.23 C ATOM 553 O PHE A 36 3.304 -8.935 1.481 1.00 0.29 O ATOM 554 CB PHE A 36 3.260 -8.141 -1.545 1.00 0.34 C ATOM 555 CG PHE A 36 4.599 -8.045 -2.226 1.00 0.45 C ATOM 556 CD1 PHE A 36 5.071 -9.088 -3.003 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.385 -6.910 -2.087 1.00 0.64 C ATOM 558 CE1 PHE A 36 6.303 -9.008 -3.625 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.617 -6.824 -2.709 1.00 0.83 C ATOM 560 CZ PHE A 36 7.077 -7.875 -3.479 1.00 0.87 C ATOM 0 H PHE A 36 1.687 -9.858 -2.396 1.00 0.33 H new ATOM 0 HA PHE A 36 3.984 -10.008 -0.752 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.473 -7.995 -2.285 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.170 -7.332 -0.820 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.469 -9.976 -3.125 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.031 -6.085 -1.487 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.660 -9.832 -4.225 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.220 -5.935 -2.593 1.00 0.83 H new ATOM 0 HZ PHE A 36 8.039 -7.810 -3.965 1.00 0.87 H new ATOM 570 N GLU A 37 1.221 -9.380 0.798 1.00 0.25 N ATOM 571 CA GLU A 37 0.677 -9.156 2.127 1.00 0.36 C ATOM 572 C GLU A 37 0.234 -10.453 2.800 1.00 0.30 C ATOM 573 O GLU A 37 0.629 -10.733 3.921 1.00 0.46 O ATOM 574 CB GLU A 37 -0.476 -8.158 2.087 1.00 0.54 C ATOM 575 CG GLU A 37 -0.729 -7.485 3.432 1.00 0.95 C ATOM 576 CD GLU A 37 0.556 -7.043 4.119 1.00 1.33 C ATOM 577 OE1 GLU A 37 1.451 -6.512 3.433 1.00 1.89 O1- ATOM 578 OE2 GLU A 37 0.676 -7.241 5.351 1.00 1.87 O ATOM 0 H GLU A 37 0.538 -9.643 0.087 1.00 0.25 H new ATOM 0 HA GLU A 37 1.484 -8.736 2.728 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -0.262 -7.394 1.339 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.383 -8.672 1.768 1.00 0.54 H new ATOM 0 HG2 GLU A 37 -1.374 -6.619 3.285 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -1.266 -8.175 4.083 1.00 0.95 H new ATOM 585 N GLU A 38 -0.571 -11.254 2.123 1.00 0.30 N ATOM 586 CA GLU A 38 -1.048 -12.501 2.713 1.00 0.37 C ATOM 587 C GLU A 38 0.085 -13.511 2.889 1.00 0.34 C ATOM 588 O GLU A 38 0.040 -14.357 3.785 1.00 0.50 O ATOM 589 CB GLU A 38 -2.180 -13.101 1.878 1.00 0.55 C ATOM 590 CG GLU A 38 -3.553 -12.551 2.236 1.00 0.99 C ATOM 591 CD GLU A 38 -4.005 -12.962 3.627 1.00 1.34 C ATOM 592 OE1 GLU A 38 -3.532 -12.361 4.619 1.00 1.89 O ATOM 593 OE2 GLU A 38 -4.840 -13.882 3.735 1.00 2.00 O1- ATOM 0 H GLU A 38 -0.906 -11.071 1.177 1.00 0.30 H new ATOM 0 HA GLU A 38 -1.437 -12.265 3.703 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -1.984 -12.909 0.823 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -2.185 -14.183 2.010 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -3.532 -11.463 2.172 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -4.282 -12.899 1.504 1.00 0.99 H new ATOM 600 N VAL A 39 1.104 -13.415 2.046 1.00 0.33 N ATOM 601 CA VAL A 39 2.237 -14.329 2.124 1.00 0.37 C ATOM 602 C VAL A 39 3.442 -13.656 2.782 1.00 0.31 C ATOM 603 O VAL A 39 3.853 -14.048 3.875 1.00 0.43 O ATOM 604 CB VAL A 39 2.634 -14.863 0.731 1.00 0.48 C ATOM 605 CG1 VAL A 39 3.901 -15.706 0.807 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.488 -15.665 0.129 1.00 0.58 C ATOM 0 H VAL A 39 1.170 -12.718 1.304 1.00 0.33 H new ATOM 0 HA VAL A 39 1.923 -15.173 2.739 1.00 0.37 H new ATOM 0 HB VAL A 39 2.841 -14.010 0.084 1.00 0.48 H new ATOM 0 HG11 VAL A 39 4.157 -16.069 -0.188 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.719 -15.099 1.193 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.734 -16.554 1.471 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.780 -16.036 -0.853 1.00 0.58 H new ATOM 0 HG22 VAL A 39 1.252 -16.507 0.780 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.610 -15.027 0.029 1.00 0.58 H new ATOM 616 N LEU A 40 3.987 -12.631 2.133 1.00 0.24 N ATOM 617 CA LEU A 40 5.160 -11.933 2.663 1.00 0.24 C ATOM 618 C LEU A 40 4.805 -11.069 3.870 1.00 0.23 C ATOM 619 O LEU A 40 5.578 -10.991 4.822 1.00 0.27 O ATOM 620 CB LEU A 40 5.814 -11.057 1.585 1.00 0.26 C ATOM 621 CG LEU A 40 6.265 -11.781 0.310 1.00 0.31 C ATOM 622 CD1 LEU A 40 7.109 -10.856 -0.554 1.00 0.35 C ATOM 623 CD2 LEU A 40 7.046 -13.045 0.640 1.00 0.41 C ATOM 0 H LEU A 40 3.640 -12.266 1.246 1.00 0.24 H new ATOM 0 HA LEU A 40 5.866 -12.700 2.981 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.109 -10.275 1.304 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.681 -10.563 2.024 1.00 0.26 H new ATOM 0 HG LEU A 40 5.372 -12.069 -0.244 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.421 -11.384 -1.455 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.521 -9.981 -0.832 1.00 0.35 H new ATOM 0 HD13 LEU A 40 7.990 -10.539 0.005 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.352 -13.536 -0.284 1.00 0.41 H new ATOM 0 HD22 LEU A 40 7.930 -12.785 1.222 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.416 -13.721 1.219 1.00 0.41 H new ATOM 635 N HIS A 41 3.638 -10.429 3.817 1.00 0.20 N ATOM 636 CA HIS A 41 3.165 -9.549 4.891 1.00 0.23 C ATOM 637 C HIS A 41 4.085 -8.351 5.039 1.00 0.22 C ATOM 638 O HIS A 41 4.525 -8.025 6.142 1.00 0.28 O ATOM 639 CB HIS A 41 3.048 -10.291 6.226 1.00 0.30 C ATOM 640 CG HIS A 41 1.637 -10.515 6.660 1.00 0.42 C ATOM 641 ND1 HIS A 41 0.656 -9.548 6.576 1.00 0.82 N ATOM 642 CD2 HIS A 41 1.036 -11.612 7.166 1.00 0.62 C ATOM 643 CE1 HIS A 41 -0.482 -10.041 7.024 1.00 0.84 C ATOM 644 NE2 HIS A 41 -0.281 -11.291 7.387 1.00 0.68 N ATOM 0 H HIS A 41 2.993 -10.504 3.031 1.00 0.20 H new ATOM 0 HA HIS A 41 2.169 -9.204 4.614 1.00 0.23 H new ATOM 0 HB2 HIS A 41 3.552 -11.254 6.143 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.571 -9.723 6.996 1.00 0.30 H new ATOM 0 HD1 HIS A 41 0.790 -8.601 6.223 1.00 0.82 H new ATOM 0 HD2 HIS A 41 1.504 -12.566 7.361 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -1.420 -9.510 7.083 1.00 0.84 H new ATOM 653 N ILE A 42 4.356 -7.691 3.925 1.00 0.23 N ATOM 654 CA ILE A 42 5.238 -6.540 3.918 1.00 0.26 C ATOM 655 C ILE A 42 4.694 -5.411 4.791 1.00 0.27 C ATOM 656 O ILE A 42 5.393 -4.937 5.683 1.00 0.31 O ATOM 657 CB ILE A 42 5.487 -6.024 2.480 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.255 -7.072 1.665 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.244 -4.704 2.498 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.578 -7.481 2.287 1.00 0.41 C ATOM 0 H ILE A 42 3.975 -7.936 3.011 1.00 0.23 H new ATOM 0 HA ILE A 42 6.189 -6.870 4.335 1.00 0.26 H new ATOM 0 HB ILE A 42 4.520 -5.852 2.007 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.630 -7.957 1.548 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.440 -6.678 0.666 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.406 -4.363 1.475 1.00 0.37 H new ATOM 0 HG22 ILE A 42 5.663 -3.959 3.041 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.206 -4.843 2.991 1.00 0.37 H new ATOM 0 HD11 ILE A 42 8.063 -8.224 1.654 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.222 -6.607 2.379 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.400 -7.906 3.275 1.00 0.41 H new ATOM 672 N SER A 43 3.446 -5.014 4.568 1.00 0.33 N ATOM 673 CA SER A 43 2.843 -3.935 5.340 1.00 0.39 C ATOM 674 C SER A 43 2.853 -4.257 6.832 1.00 0.38 C ATOM 675 O SER A 43 3.341 -3.466 7.638 1.00 0.45 O ATOM 676 CB SER A 43 1.407 -3.683 4.876 1.00 0.50 C ATOM 677 OG SER A 43 1.350 -3.438 3.483 1.00 1.03 O ATOM 0 H SER A 43 2.834 -5.422 3.861 1.00 0.33 H new ATOM 0 HA SER A 43 3.436 -3.035 5.175 1.00 0.39 H new ATOM 0 HB2 SER A 43 0.787 -4.546 5.121 1.00 0.50 H new ATOM 0 HB3 SER A 43 0.993 -2.830 5.414 1.00 0.50 H new ATOM 0 HG SER A 43 1.798 -2.590 3.281 1.00 1.03 H new ATOM 683 N ASP A 44 2.341 -5.431 7.191 1.00 0.37 N ATOM 684 CA ASP A 44 2.274 -5.846 8.592 1.00 0.44 C ATOM 685 C ASP A 44 3.660 -5.884 9.237 1.00 0.41 C ATOM 686 O ASP A 44 3.821 -5.484 10.392 1.00 0.52 O ATOM 687 CB ASP A 44 1.605 -7.214 8.704 1.00 0.51 C ATOM 688 CG ASP A 44 1.565 -7.741 10.127 1.00 0.92 C ATOM 689 OD1 ASP A 44 0.945 -7.094 10.998 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 2.151 -8.809 10.384 1.00 1.73 O ATOM 0 H ASP A 44 1.966 -6.113 6.532 1.00 0.37 H new ATOM 0 HA ASP A 44 1.678 -5.108 9.128 1.00 0.44 H new ATOM 0 HB2 ASP A 44 0.588 -7.147 8.319 1.00 0.51 H new ATOM 0 HB3 ASP A 44 2.138 -7.926 8.074 1.00 0.51 H new ATOM 695 N ASN A 45 4.656 -6.346 8.488 1.00 0.33 N ATOM 696 CA ASN A 45 6.021 -6.420 9.003 1.00 0.37 C ATOM 697 C ASN A 45 6.623 -5.024 9.133 1.00 0.39 C ATOM 698 O ASN A 45 7.266 -4.708 10.133 1.00 0.48 O ATOM 699 CB ASN A 45 6.908 -7.282 8.099 1.00 0.38 C ATOM 700 CG ASN A 45 7.948 -8.053 8.891 1.00 0.68 C ATOM 701 OD1 ASN A 45 8.936 -7.489 9.353 1.00 1.19 O ATOM 702 ND2 ASN A 45 7.741 -9.354 9.043 1.00 1.12 N ATOM 0 H ASN A 45 4.546 -6.673 7.528 1.00 0.33 H new ATOM 0 HA ASN A 45 5.976 -6.883 9.989 1.00 0.37 H new ATOM 0 HB2 ASN A 45 6.286 -7.981 7.541 1.00 0.38 H new ATOM 0 HB3 ASN A 45 7.407 -6.646 7.368 1.00 0.38 H new ATOM 0 HD21 ASN A 45 8.415 -9.921 9.558 1.00 1.12 H new ATOM 0 HD22 ASN A 45 6.908 -9.788 8.645 1.00 1.12 H new ATOM 709 N VAL A 46 6.395 -4.190 8.126 1.00 0.33 N ATOM 710 CA VAL A 46 6.908 -2.826 8.123 1.00 0.36 C ATOM 711 C VAL A 46 6.375 -2.046 9.325 1.00 0.43 C ATOM 712 O VAL A 46 7.120 -1.310 9.972 1.00 0.49 O ATOM 713 CB VAL A 46 6.550 -2.094 6.808 1.00 0.33 C ATOM 714 CG1 VAL A 46 6.762 -0.591 6.926 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.382 -2.644 5.659 1.00 0.31 C ATOM 0 H VAL A 46 5.855 -4.436 7.297 1.00 0.33 H new ATOM 0 HA VAL A 46 7.994 -2.881 8.195 1.00 0.36 H new ATOM 0 HB VAL A 46 5.493 -2.270 6.609 1.00 0.33 H new ATOM 0 HG11 VAL A 46 6.500 -0.111 5.983 1.00 0.43 H new ATOM 0 HG12 VAL A 46 6.130 -0.196 7.722 1.00 0.43 H new ATOM 0 HG13 VAL A 46 7.808 -0.388 7.158 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.122 -2.121 4.739 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.441 -2.496 5.873 1.00 0.31 H new ATOM 0 HG23 VAL A 46 7.181 -3.709 5.541 1.00 0.31 H new ATOM 725 N LYS A 47 5.090 -2.238 9.637 1.00 0.46 N ATOM 726 CA LYS A 47 4.454 -1.564 10.772 1.00 0.56 C ATOM 727 C LYS A 47 5.224 -1.831 12.065 1.00 0.60 C ATOM 728 O LYS A 47 5.347 -0.954 12.920 1.00 0.70 O ATOM 729 CB LYS A 47 3.009 -2.048 10.958 1.00 0.61 C ATOM 730 CG LYS A 47 2.087 -1.774 9.779 1.00 0.70 C ATOM 731 CD LYS A 47 0.741 -2.458 9.977 1.00 0.88 C ATOM 732 CE LYS A 47 -0.034 -2.567 8.677 1.00 1.14 C ATOM 733 NZ LYS A 47 -1.139 -3.557 8.788 1.00 1.53 N1+ ATOM 0 H LYS A 47 4.468 -2.857 9.117 1.00 0.46 H new ATOM 0 HA LYS A 47 4.458 -0.496 10.555 1.00 0.56 H new ATOM 0 HB2 LYS A 47 3.022 -3.121 11.149 1.00 0.61 H new ATOM 0 HB3 LYS A 47 2.592 -1.571 11.845 1.00 0.61 H new ATOM 0 HG2 LYS A 47 1.941 -0.700 9.667 1.00 0.70 H new ATOM 0 HG3 LYS A 47 2.550 -2.131 8.859 1.00 0.70 H new ATOM 0 HD2 LYS A 47 0.897 -3.454 10.391 1.00 0.88 H new ATOM 0 HD3 LYS A 47 0.153 -1.899 10.705 1.00 0.88 H new ATOM 0 HE2 LYS A 47 -0.442 -1.592 8.411 1.00 1.14 H new ATOM 0 HE3 LYS A 47 0.640 -2.860 7.872 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -0.915 -4.394 8.213 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -1.252 -3.841 9.782 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -2.024 -3.130 8.447 1.00 1.53 H new ATOM 747 N LYS A 48 5.745 -3.042 12.194 1.00 0.55 N ATOM 748 CA LYS A 48 6.474 -3.444 13.393 1.00 0.62 C ATOM 749 C LYS A 48 7.919 -2.946 13.385 1.00 0.61 C ATOM 750 O LYS A 48 8.594 -2.970 14.418 1.00 0.77 O ATOM 751 CB LYS A 48 6.466 -4.968 13.521 1.00 0.71 C ATOM 752 CG LYS A 48 5.097 -5.597 13.329 1.00 0.83 C ATOM 753 CD LYS A 48 5.143 -7.100 13.553 1.00 0.98 C ATOM 754 CE LYS A 48 4.020 -7.811 12.812 1.00 1.52 C ATOM 755 NZ LYS A 48 2.683 -7.255 13.146 1.00 2.02 N1+ ATOM 0 H LYS A 48 5.677 -3.768 11.481 1.00 0.55 H new ATOM 0 HA LYS A 48 5.968 -2.990 14.245 1.00 0.62 H new ATOM 0 HB2 LYS A 48 7.153 -5.388 12.787 1.00 0.71 H new ATOM 0 HB3 LYS A 48 6.845 -5.242 14.506 1.00 0.71 H new ATOM 0 HG2 LYS A 48 4.387 -5.146 14.022 1.00 0.83 H new ATOM 0 HG3 LYS A 48 4.737 -5.388 12.322 1.00 0.83 H new ATOM 0 HD2 LYS A 48 6.104 -7.489 13.218 1.00 0.98 H new ATOM 0 HD3 LYS A 48 5.067 -7.312 14.620 1.00 0.98 H new ATOM 0 HE2 LYS A 48 4.187 -7.729 11.738 1.00 1.52 H new ATOM 0 HE3 LYS A 48 4.041 -8.873 13.057 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 2.038 -8.030 13.400 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 2.770 -6.600 13.949 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 2.304 -6.745 12.323 1.00 2.02 H new ATOM 769 N LYS A 49 8.390 -2.482 12.235 1.00 0.53 N ATOM 770 CA LYS A 49 9.767 -2.017 12.117 1.00 0.54 C ATOM 771 C LYS A 49 9.834 -0.503 11.945 1.00 0.52 C ATOM 772 O LYS A 49 10.900 0.050 11.686 1.00 0.64 O ATOM 773 CB LYS A 49 10.461 -2.699 10.933 1.00 0.58 C ATOM 774 CG LYS A 49 10.536 -4.216 11.042 1.00 0.78 C ATOM 775 CD LYS A 49 11.799 -4.758 10.392 1.00 0.87 C ATOM 776 CE LYS A 49 11.622 -6.187 9.893 1.00 1.19 C ATOM 777 NZ LYS A 49 11.484 -7.167 11.004 1.00 1.44 N1+ ATOM 0 H LYS A 49 7.844 -2.417 11.376 1.00 0.53 H new ATOM 0 HA LYS A 49 10.281 -2.280 13.041 1.00 0.54 H new ATOM 0 HB2 LYS A 49 9.932 -2.438 10.017 1.00 0.58 H new ATOM 0 HB3 LYS A 49 11.472 -2.302 10.841 1.00 0.58 H new ATOM 0 HG2 LYS A 49 10.511 -4.508 12.092 1.00 0.78 H new ATOM 0 HG3 LYS A 49 9.661 -4.660 10.567 1.00 0.78 H new ATOM 0 HD2 LYS A 49 12.080 -4.116 9.557 1.00 0.87 H new ATOM 0 HD3 LYS A 49 12.618 -4.725 11.110 1.00 0.87 H new ATOM 0 HE2 LYS A 49 10.739 -6.239 9.256 1.00 1.19 H new ATOM 0 HE3 LYS A 49 12.477 -6.461 9.276 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 11.638 -8.129 10.640 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 12.189 -6.959 11.740 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 10.529 -7.099 11.410 1.00 1.44 H new ATOM 791 N LEU A 50 8.702 0.167 12.095 1.00 0.53 N ATOM 792 CA LEU A 50 8.663 1.616 11.936 1.00 0.54 C ATOM 793 C LEU A 50 8.776 2.332 13.277 1.00 0.54 C ATOM 794 O LEU A 50 8.151 1.927 14.260 1.00 0.59 O ATOM 795 CB LEU A 50 7.375 2.049 11.234 1.00 0.60 C ATOM 796 CG LEU A 50 7.324 1.767 9.728 1.00 0.64 C ATOM 797 CD1 LEU A 50 6.007 2.248 9.147 1.00 1.00 C ATOM 798 CD2 LEU A 50 8.497 2.424 9.015 1.00 0.91 C ATOM 0 H LEU A 50 7.805 -0.262 12.324 1.00 0.53 H new ATOM 0 HA LEU A 50 9.520 1.895 11.323 1.00 0.54 H new ATOM 0 HB2 LEU A 50 6.534 1.545 11.710 1.00 0.60 H new ATOM 0 HB3 LEU A 50 7.236 3.119 11.392 1.00 0.60 H new ATOM 0 HG LEU A 50 7.398 0.690 9.577 1.00 0.64 H new ATOM 0 HD11 LEU A 50 5.984 2.041 8.077 1.00 1.00 H new ATOM 0 HD12 LEU A 50 5.183 1.728 9.635 1.00 1.00 H new ATOM 0 HD13 LEU A 50 5.907 3.321 9.312 1.00 1.00 H new ATOM 0 HD21 LEU A 50 8.440 2.210 7.948 1.00 0.91 H new ATOM 0 HD22 LEU A 50 8.460 3.502 9.172 1.00 0.91 H new ATOM 0 HD23 LEU A 50 9.432 2.031 9.414 1.00 0.91 H new ATOM 810 N PRO A 51 9.587 3.403 13.338 1.00 0.57 N ATOM 811 CA PRO A 51 9.755 4.196 14.559 1.00 0.64 C ATOM 812 C PRO A 51 8.476 4.950 14.922 1.00 0.63 C ATOM 813 O PRO A 51 7.476 4.893 14.200 1.00 0.66 O ATOM 814 CB PRO A 51 10.872 5.190 14.207 1.00 0.73 C ATOM 815 CG PRO A 51 11.491 4.683 12.949 1.00 0.74 C ATOM 816 CD PRO A 51 10.421 3.912 12.237 1.00 0.61 C ATOM 0 HA PRO A 51 9.989 3.570 15.420 1.00 0.64 H new ATOM 0 HB2 PRO A 51 10.471 6.194 14.068 1.00 0.73 H new ATOM 0 HB3 PRO A 51 11.609 5.249 15.008 1.00 0.73 H new ATOM 0 HG2 PRO A 51 11.852 5.507 12.333 1.00 0.74 H new ATOM 0 HG3 PRO A 51 12.349 4.047 13.166 1.00 0.74 H new ATOM 0 HD2 PRO A 51 9.850 4.547 11.559 1.00 0.61 H new ATOM 0 HD3 PRO A 51 10.838 3.101 11.639 1.00 0.61 H new ATOM 824 N GLU A 52 8.506 5.658 16.041 1.00 0.71 N ATOM 825 CA GLU A 52 7.348 6.418 16.488 1.00 0.76 C ATOM 826 C GLU A 52 7.179 7.680 15.652 1.00 0.75 C ATOM 827 O GLU A 52 8.154 8.241 15.148 1.00 0.82 O ATOM 828 CB GLU A 52 7.478 6.780 17.966 1.00 0.88 C ATOM 829 CG GLU A 52 7.521 5.570 18.879 1.00 1.52 C ATOM 830 CD GLU A 52 8.083 5.903 20.240 1.00 1.98 C ATOM 831 OE1 GLU A 52 9.296 6.180 20.328 1.00 2.38 O1- ATOM 832 OE2 GLU A 52 7.313 5.912 21.223 1.00 2.63 O ATOM 0 H GLU A 52 9.318 5.722 16.655 1.00 0.71 H new ATOM 0 HA GLU A 52 6.464 5.794 16.360 1.00 0.76 H new ATOM 0 HB2 GLU A 52 8.385 7.368 18.110 1.00 0.88 H new ATOM 0 HB3 GLU A 52 6.638 7.413 18.253 1.00 0.88 H new ATOM 0 HG2 GLU A 52 6.515 5.166 18.992 1.00 1.52 H new ATOM 0 HG3 GLU A 52 8.127 4.790 18.418 1.00 1.52 H new ATOM 839 N GLY A 53 5.933 8.106 15.484 1.00 0.76 N ATOM 840 CA GLY A 53 5.649 9.301 14.711 1.00 0.77 C ATOM 841 C GLY A 53 5.472 9.003 13.236 1.00 0.72 C ATOM 842 O GLY A 53 4.907 9.805 12.492 1.00 0.82 O ATOM 0 H GLY A 53 5.111 7.643 15.871 1.00 0.76 H new ATOM 0 HA2 GLY A 53 4.745 9.773 15.095 1.00 0.77 H new ATOM 0 HA3 GLY A 53 6.461 10.016 14.840 1.00 0.77 H new ATOM 846 N VAL A 54 5.956 7.850 12.812 1.00 0.69 N ATOM 847 CA VAL A 54 5.852 7.442 11.421 1.00 0.65 C ATOM 848 C VAL A 54 4.500 6.793 11.152 1.00 0.65 C ATOM 849 O VAL A 54 4.055 5.928 11.905 1.00 0.74 O ATOM 850 CB VAL A 54 6.978 6.459 11.041 1.00 0.64 C ATOM 851 CG1 VAL A 54 6.962 6.170 9.552 1.00 0.85 C ATOM 852 CG2 VAL A 54 8.334 7.008 11.459 1.00 1.03 C ATOM 0 H VAL A 54 6.428 7.175 13.414 1.00 0.69 H new ATOM 0 HA VAL A 54 5.950 8.339 10.809 1.00 0.65 H new ATOM 0 HB VAL A 54 6.804 5.524 11.574 1.00 0.64 H new ATOM 0 HG11 VAL A 54 7.765 5.474 9.308 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.004 5.729 9.277 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.106 7.099 9.000 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.115 6.299 11.182 1.00 1.03 H new ATOM 0 HG22 VAL A 54 8.512 7.959 10.957 1.00 1.03 H new ATOM 0 HG23 VAL A 54 8.348 7.160 12.538 1.00 1.03 H new ATOM 862 N LYS A 55 3.846 7.217 10.082 1.00 0.64 N ATOM 863 CA LYS A 55 2.545 6.673 9.730 1.00 0.66 C ATOM 864 C LYS A 55 2.599 5.973 8.378 1.00 0.58 C ATOM 865 O LYS A 55 3.203 6.480 7.430 1.00 0.61 O ATOM 866 CB LYS A 55 1.493 7.787 9.692 1.00 0.76 C ATOM 867 CG LYS A 55 0.079 7.277 9.457 1.00 1.35 C ATOM 868 CD LYS A 55 -0.735 8.237 8.605 1.00 1.43 C ATOM 869 CE LYS A 55 -1.861 7.521 7.875 1.00 2.21 C ATOM 870 NZ LYS A 55 -2.975 7.155 8.788 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.194 7.934 9.445 1.00 0.64 H new ATOM 0 HA LYS A 55 2.268 5.944 10.491 1.00 0.66 H new ATOM 0 HB2 LYS A 55 1.521 8.335 10.634 1.00 0.76 H new ATOM 0 HB3 LYS A 55 1.752 8.494 8.904 1.00 0.76 H new ATOM 0 HG2 LYS A 55 0.121 6.304 8.968 1.00 1.35 H new ATOM 0 HG3 LYS A 55 -0.418 7.131 10.416 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -1.151 9.022 9.237 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -0.083 8.724 7.880 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -2.241 8.161 7.079 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -1.470 6.620 7.401 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -3.720 6.669 8.249 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -2.619 6.523 9.534 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -3.366 8.016 9.221 1.00 2.51 H new ATOM 884 N MET A 56 1.968 4.806 8.300 1.00 0.55 N ATOM 885 CA MET A 56 1.918 4.033 7.064 1.00 0.50 C ATOM 886 C MET A 56 0.804 4.552 6.168 1.00 0.47 C ATOM 887 O MET A 56 -0.375 4.452 6.502 1.00 0.59 O ATOM 888 CB MET A 56 1.679 2.550 7.362 1.00 0.57 C ATOM 889 CG MET A 56 2.913 1.676 7.195 1.00 0.85 C ATOM 890 SD MET A 56 2.512 0.021 6.595 1.00 1.09 S ATOM 891 CE MET A 56 2.139 0.363 4.877 1.00 1.28 C ATOM 0 H MET A 56 1.481 4.372 9.084 1.00 0.55 H new ATOM 0 HA MET A 56 2.876 4.142 6.556 1.00 0.50 H new ATOM 0 HB2 MET A 56 1.312 2.450 8.383 1.00 0.57 H new ATOM 0 HB3 MET A 56 0.893 2.180 6.703 1.00 0.57 H new ATOM 0 HG2 MET A 56 3.602 2.154 6.499 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.430 1.597 8.151 1.00 0.85 H new ATOM 0 HE1 MET A 56 1.261 -0.208 4.575 1.00 1.28 H new ATOM 0 HE2 MET A 56 1.940 1.427 4.753 1.00 1.28 H new ATOM 0 HE3 MET A 56 2.989 0.078 4.256 1.00 1.28 H new ATOM 901 N THR A 57 1.175 5.118 5.034 1.00 0.42 N ATOM 902 CA THR A 57 0.198 5.650 4.102 1.00 0.43 C ATOM 903 C THR A 57 0.008 4.702 2.916 1.00 0.41 C ATOM 904 O THR A 57 0.762 4.741 1.945 1.00 0.47 O ATOM 905 CB THR A 57 0.625 7.045 3.609 1.00 0.48 C ATOM 906 OG1 THR A 57 1.359 7.708 4.651 1.00 0.60 O ATOM 907 CG2 THR A 57 -0.590 7.879 3.225 1.00 0.61 C ATOM 0 H THR A 57 2.145 5.221 4.736 1.00 0.42 H new ATOM 0 HA THR A 57 -0.754 5.742 4.624 1.00 0.43 H new ATOM 0 HB THR A 57 1.253 6.930 2.726 1.00 0.48 H new ATOM 0 HG1 THR A 57 2.274 7.358 4.680 1.00 0.60 H new ATOM 0 HG21 THR A 57 -0.264 8.860 2.880 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.138 7.378 2.427 1.00 0.61 H new ATOM 0 HG23 THR A 57 -1.239 7.997 4.093 1.00 0.61 H new ATOM 915 N LYS A 58 -0.988 3.831 3.020 1.00 0.39 N ATOM 916 CA LYS A 58 -1.281 2.863 1.972 1.00 0.39 C ATOM 917 C LYS A 58 -2.272 3.459 0.975 1.00 0.37 C ATOM 918 O LYS A 58 -3.400 3.784 1.334 1.00 0.43 O ATOM 919 CB LYS A 58 -1.855 1.595 2.608 1.00 0.47 C ATOM 920 CG LYS A 58 -1.515 0.306 1.876 1.00 0.77 C ATOM 921 CD LYS A 58 -1.845 -0.909 2.733 1.00 0.84 C ATOM 922 CE LYS A 58 -1.812 -2.208 1.936 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.426 -2.689 1.699 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.610 3.776 3.826 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.366 2.611 1.436 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -1.490 1.522 3.633 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.939 1.691 2.662 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -2.071 0.257 0.940 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -0.456 0.298 1.619 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -1.134 -0.973 3.557 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -2.834 -0.781 3.174 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -2.374 -2.974 2.471 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -2.311 -2.057 0.979 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 -0.454 -3.658 1.322 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 0.046 -2.065 1.014 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 0.102 -2.682 2.595 1.00 0.70 H new ATOM 937 N TYR A 59 -1.845 3.616 -0.270 1.00 0.36 N ATOM 938 CA TYR A 59 -2.692 4.191 -1.308 1.00 0.39 C ATOM 939 C TYR A 59 -3.066 3.149 -2.359 1.00 0.37 C ATOM 940 O TYR A 59 -2.316 2.205 -2.615 1.00 0.36 O ATOM 941 CB TYR A 59 -1.979 5.368 -1.980 1.00 0.45 C ATOM 942 CG TYR A 59 -2.150 6.705 -1.283 1.00 0.48 C ATOM 943 CD1 TYR A 59 -2.854 6.821 -0.090 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.603 7.857 -1.836 1.00 0.52 C ATOM 945 CE1 TYR A 59 -3.006 8.045 0.530 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.752 9.084 -1.223 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.454 9.174 -0.040 1.00 0.62 C ATOM 948 OH TYR A 59 -2.605 10.393 0.576 1.00 0.71 O ATOM 0 H TYR A 59 -0.912 3.352 -0.588 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.608 4.543 -0.833 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -0.915 5.141 -2.042 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.345 5.459 -3.003 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -3.289 5.940 0.359 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -1.051 7.790 -2.762 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -3.555 8.119 1.457 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -1.321 9.969 -1.667 1.00 0.60 H new ATOM 0 HH TYR A 59 -2.156 11.085 0.047 1.00 0.71 H new ATOM 958 N HIS A 60 -4.230 3.331 -2.967 1.00 0.39 N ATOM 959 CA HIS A 60 -4.716 2.419 -3.993 1.00 0.40 C ATOM 960 C HIS A 60 -4.470 2.996 -5.385 1.00 0.42 C ATOM 961 O HIS A 60 -4.843 4.135 -5.664 1.00 0.46 O ATOM 962 CB HIS A 60 -6.214 2.155 -3.800 1.00 0.44 C ATOM 963 CG HIS A 60 -6.777 1.154 -4.764 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.611 1.489 -5.807 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.598 -0.182 -4.851 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.918 0.403 -6.492 1.00 0.51 C ATOM 967 NE2 HIS A 60 -7.313 -0.632 -5.937 1.00 0.57 N ATOM 0 H HIS A 60 -4.859 4.108 -2.765 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.171 1.479 -3.901 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.384 1.802 -2.783 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.757 3.094 -3.907 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.941 2.431 -6.018 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -6.000 -0.789 -4.187 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.557 0.367 -7.362 1.00 0.51 H new ATOM 976 N VAL A 61 -3.843 2.208 -6.251 1.00 0.44 N ATOM 977 CA VAL A 61 -3.557 2.640 -7.616 1.00 0.48 C ATOM 978 C VAL A 61 -4.795 2.489 -8.496 1.00 0.49 C ATOM 979 O VAL A 61 -5.643 1.634 -8.240 1.00 0.51 O ATOM 980 CB VAL A 61 -2.385 1.848 -8.231 1.00 0.52 C ATOM 981 CG1 VAL A 61 -1.191 1.860 -7.296 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.791 0.419 -8.540 1.00 0.55 C ATOM 0 H VAL A 61 -3.522 1.265 -6.032 1.00 0.44 H new ATOM 0 HA VAL A 61 -3.271 3.691 -7.569 1.00 0.48 H new ATOM 0 HB VAL A 61 -2.108 2.333 -9.167 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.372 1.297 -7.744 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -0.873 2.889 -7.125 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.468 1.403 -6.346 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -1.944 -0.114 -8.972 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -3.102 -0.078 -7.621 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.619 0.421 -9.249 1.00 0.55 H new ATOM 992 N ASN A 62 -4.893 3.307 -9.537 1.00 0.54 N ATOM 993 CA ASN A 62 -6.056 3.263 -10.423 1.00 0.57 C ATOM 994 C ASN A 62 -5.763 2.566 -11.749 1.00 0.58 C ATOM 995 O ASN A 62 -6.649 2.433 -12.588 1.00 0.76 O ATOM 996 CB ASN A 62 -6.568 4.681 -10.693 1.00 0.67 C ATOM 997 CG ASN A 62 -7.653 5.102 -9.724 1.00 0.69 C ATOM 998 OD1 ASN A 62 -8.445 4.282 -9.271 1.00 0.77 O ATOM 999 ND2 ASN A 62 -7.694 6.380 -9.397 1.00 0.93 N ATOM 0 H ASN A 62 -4.191 4.003 -9.789 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.820 2.679 -9.909 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -5.736 5.382 -10.628 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -6.953 4.737 -11.711 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -8.403 6.717 -8.745 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.017 7.030 -9.796 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.531 2.108 -11.940 1.00 0.54 N ATOM 1007 CA PHE A 63 -4.169 1.437 -13.188 1.00 0.55 C ATOM 1008 C PHE A 63 -4.264 -0.078 -13.041 1.00 0.54 C ATOM 1009 O PHE A 63 -3.728 -0.826 -13.855 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.765 1.851 -13.664 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.626 1.416 -12.777 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -1.252 2.177 -11.684 1.00 0.65 C ATOM 1013 CD2 PHE A 63 -0.914 0.257 -13.056 1.00 0.62 C ATOM 1014 CE1 PHE A 63 -0.197 1.788 -10.878 1.00 0.74 C ATOM 1015 CE2 PHE A 63 0.143 -0.136 -12.257 1.00 0.70 C ATOM 1016 CZ PHE A 63 0.502 0.631 -11.166 1.00 0.74 C ATOM 0 H PHE A 63 -3.775 2.186 -11.260 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.884 1.752 -13.948 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.603 1.442 -14.661 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.737 2.937 -13.756 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.790 3.086 -11.457 1.00 0.65 H new ATOM 0 HD2 PHE A 63 -1.190 -0.345 -13.909 1.00 0.62 H new ATOM 0 HE1 PHE A 63 0.080 2.388 -10.024 1.00 0.74 H new ATOM 0 HE2 PHE A 63 0.687 -1.041 -12.485 1.00 0.70 H new ATOM 0 HZ PHE A 63 1.327 0.327 -10.539 1.00 0.74 H new ATOM 1026 N MET A 64 -4.959 -0.526 -12.006 1.00 0.52 N ATOM 1027 CA MET A 64 -5.120 -1.951 -11.758 1.00 0.53 C ATOM 1028 C MET A 64 -6.530 -2.251 -11.281 1.00 0.55 C ATOM 1029 O MET A 64 -6.888 -1.930 -10.143 1.00 0.60 O ATOM 1030 CB MET A 64 -4.108 -2.446 -10.727 1.00 0.57 C ATOM 1031 CG MET A 64 -2.820 -2.963 -11.341 1.00 0.64 C ATOM 1032 SD MET A 64 -2.569 -4.726 -11.051 1.00 1.06 S ATOM 1033 CE MET A 64 -3.906 -5.427 -12.014 1.00 1.09 C ATOM 0 H MET A 64 -5.420 0.076 -11.324 1.00 0.52 H new ATOM 0 HA MET A 64 -4.942 -2.475 -12.697 1.00 0.53 H new ATOM 0 HB2 MET A 64 -3.873 -1.632 -10.041 1.00 0.57 H new ATOM 0 HB3 MET A 64 -4.563 -3.240 -10.135 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.832 -2.774 -12.414 1.00 0.64 H new ATOM 0 HG3 MET A 64 -1.977 -2.408 -10.929 1.00 0.64 H new ATOM 0 HE1 MET A 64 -3.882 -6.514 -11.933 1.00 1.09 H new ATOM 0 HE2 MET A 64 -4.859 -5.056 -11.637 1.00 1.09 H new ATOM 0 HE3 MET A 64 -3.792 -5.138 -13.059 1.00 1.09 H new ATOM 1043 N GLY A 65 -7.320 -2.863 -12.152 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.685 -3.200 -11.808 1.00 0.64 C ATOM 1045 C GLY A 65 -9.686 -2.738 -12.845 1.00 0.66 C ATOM 1046 O GLY A 65 -10.880 -2.625 -12.555 1.00 0.78 O ATOM 0 H GLY A 65 -7.038 -3.133 -13.094 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.768 -4.280 -11.687 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.933 -2.751 -10.846 1.00 0.64 H new ATOM 1050 N GLY A 66 -9.197 -2.460 -14.051 1.00 0.65 N ATOM 1051 CA GLY A 66 -10.060 -2.020 -15.130 1.00 0.71 C ATOM 1052 C GLY A 66 -10.768 -0.713 -14.828 1.00 0.75 C ATOM 1053 O GLY A 66 -10.134 0.340 -14.730 1.00 0.81 O ATOM 0 H GLY A 66 -8.210 -2.533 -14.299 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -9.467 -1.904 -16.038 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.803 -2.791 -15.331 1.00 0.71 H new ATOM 1057 N ASP A 67 -12.082 -0.784 -14.670 1.00 0.84 N ATOM 1058 CA ASP A 67 -12.887 0.402 -14.392 1.00 0.96 C ATOM 1059 C ASP A 67 -13.331 0.436 -12.937 1.00 0.91 C ATOM 1060 O ASP A 67 -13.477 1.509 -12.351 1.00 0.93 O ATOM 1061 CB ASP A 67 -14.112 0.442 -15.308 1.00 1.19 C ATOM 1062 CG ASP A 67 -14.199 1.730 -16.107 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -13.450 1.872 -17.094 1.00 2.46 O ATOM 1064 OD2 ASP A 67 -15.024 2.605 -15.760 1.00 2.47 O1- ATOM 0 H ASP A 67 -12.616 -1.651 -14.729 1.00 0.84 H new ATOM 0 HA ASP A 67 -12.267 1.278 -14.584 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -14.077 -0.405 -15.993 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -15.015 0.329 -14.707 1.00 1.19 H new ATOM 1069 N LEU A 68 -13.525 -0.742 -12.347 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.959 -0.842 -10.955 1.00 0.89 C ATOM 1071 C LEU A 68 -12.842 -0.408 -10.011 1.00 0.79 C ATOM 1072 O LEU A 68 -13.084 -0.114 -8.840 1.00 0.82 O ATOM 1073 CB LEU A 68 -14.393 -2.272 -10.625 1.00 0.96 C ATOM 1074 CG LEU A 68 -15.093 -2.452 -9.271 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -16.458 -1.783 -9.281 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -15.227 -3.929 -8.928 1.00 1.07 C ATOM 0 H LEU A 68 -13.389 -1.640 -12.811 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.812 -0.177 -10.820 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -15.063 -2.620 -11.411 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.513 -2.915 -10.648 1.00 0.96 H new ATOM 0 HG LEU A 68 -14.481 -1.975 -8.505 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.938 -1.922 -8.312 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -16.340 -0.718 -9.478 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -17.076 -2.229 -10.060 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.726 -4.035 -7.965 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.814 -4.429 -9.698 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -14.237 -4.382 -8.876 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.620 -0.372 -10.530 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.482 0.040 -9.732 1.00 0.65 C ATOM 1090 C GLY A 69 -10.648 1.453 -9.208 1.00 0.64 C ATOM 1091 O GLY A 69 -10.213 1.772 -8.102 1.00 0.63 O ATOM 0 H GLY A 69 -11.397 -0.622 -11.493 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -10.357 -0.646 -8.895 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.575 -0.021 -10.333 1.00 0.65 H new ATOM 1095 N LYS A 70 -11.304 2.288 -10.008 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.560 3.675 -9.646 1.00 0.71 C ATOM 1097 C LYS A 70 -12.519 3.750 -8.462 1.00 0.73 C ATOM 1098 O LYS A 70 -12.423 4.651 -7.625 1.00 0.74 O ATOM 1099 CB LYS A 70 -12.150 4.433 -10.838 1.00 0.79 C ATOM 1100 CG LYS A 70 -11.108 5.045 -11.768 1.00 0.89 C ATOM 1101 CD LYS A 70 -10.706 6.444 -11.318 1.00 1.35 C ATOM 1102 CE LYS A 70 -9.897 7.170 -12.386 1.00 1.83 C ATOM 1103 NZ LYS A 70 -9.770 8.626 -12.102 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.671 2.022 -10.922 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.614 4.136 -9.363 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.778 3.752 -11.412 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -12.798 5.226 -10.465 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -10.226 4.405 -11.799 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -11.506 5.089 -12.782 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -11.600 7.022 -11.084 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -10.120 6.377 -10.401 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -8.904 6.726 -12.451 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -10.373 7.031 -13.357 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -9.443 9.119 -12.957 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -10.695 9.006 -11.815 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -9.083 8.771 -11.335 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.440 2.794 -8.393 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.417 2.751 -7.313 1.00 0.81 C ATOM 1119 C ASP A 71 -13.762 2.287 -6.018 1.00 0.75 C ATOM 1120 O ASP A 71 -14.017 2.840 -4.947 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.587 1.829 -7.669 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.459 2.389 -8.776 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -17.148 3.411 -8.547 1.00 1.58 O ATOM 1124 OD2 ASP A 71 -16.468 1.814 -9.883 1.00 1.65 O1- ATOM 0 H ASP A 71 -13.529 2.039 -9.073 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.804 3.760 -7.171 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -15.198 0.858 -7.975 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -16.197 1.663 -6.781 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.891 1.290 -6.123 1.00 0.70 N ATOM 1130 CA LEU A 72 -12.196 0.756 -4.954 1.00 0.67 C ATOM 1131 C LEU A 72 -11.282 1.810 -4.330 1.00 0.61 C ATOM 1132 O LEU A 72 -11.020 1.780 -3.131 1.00 0.60 O ATOM 1133 CB LEU A 72 -11.391 -0.494 -5.322 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.796 -1.768 -4.567 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -10.978 -2.961 -5.038 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -11.639 -1.585 -3.064 1.00 1.17 C ATOM 0 H LEU A 72 -12.648 0.835 -7.003 1.00 0.70 H new ATOM 0 HA LEU A 72 -12.950 0.478 -4.218 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -11.496 -0.674 -6.392 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.336 -0.297 -5.134 1.00 0.66 H new ATOM 0 HG LEU A 72 -12.847 -1.961 -4.783 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.283 -3.851 -4.488 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -11.144 -3.118 -6.104 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -9.920 -2.770 -4.860 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -11.933 -2.502 -2.553 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -10.599 -1.357 -2.832 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -12.273 -0.764 -2.729 1.00 1.17 H new ATOM 1148 N THR A 73 -10.803 2.737 -5.149 1.00 0.60 N ATOM 1149 CA THR A 73 -9.936 3.807 -4.666 1.00 0.57 C ATOM 1150 C THR A 73 -10.700 4.713 -3.705 1.00 0.62 C ATOM 1151 O THR A 73 -10.152 5.190 -2.709 1.00 0.62 O ATOM 1152 CB THR A 73 -9.368 4.621 -5.845 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.653 3.741 -6.716 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.433 5.729 -5.373 1.00 0.56 C ATOM 0 H THR A 73 -10.999 2.771 -6.149 1.00 0.60 H new ATOM 0 HA THR A 73 -9.100 3.359 -4.129 1.00 0.57 H new ATOM 0 HB THR A 73 -10.203 5.088 -6.367 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.884 3.943 -7.647 1.00 0.56 H new ATOM 0 HG21 THR A 73 -8.055 6.278 -6.235 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.977 6.410 -4.719 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.597 5.292 -4.827 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.978 4.918 -3.995 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.826 5.744 -3.151 1.00 0.73 C ATOM 1164 C GLN A 74 -13.195 4.962 -1.896 1.00 0.72 C ATOM 1165 O GLN A 74 -13.240 5.509 -0.795 1.00 0.74 O ATOM 1166 CB GLN A 74 -14.080 6.177 -3.915 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.810 7.358 -3.287 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.536 8.202 -4.313 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.124 8.281 -5.470 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -16.617 8.841 -3.903 1.00 1.21 N ATOM 0 H GLN A 74 -12.449 4.523 -4.809 1.00 0.67 H new ATOM 0 HA GLN A 74 -12.286 6.646 -2.862 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.800 6.437 -4.936 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.765 5.331 -3.978 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.526 6.990 -2.552 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.094 7.980 -2.750 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -16.927 8.750 -2.935 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.142 9.425 -4.554 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.427 3.664 -2.076 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.767 2.777 -0.968 1.00 0.70 C ATOM 1181 C ALA A 75 -12.624 2.718 0.036 1.00 0.64 C ATOM 1182 O ALA A 75 -12.834 2.800 1.247 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.068 1.381 -1.492 1.00 0.71 C ATOM 0 H ALA A 75 -13.385 3.202 -2.984 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.652 3.170 -0.468 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.321 0.726 -0.658 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -14.908 1.426 -2.186 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.192 0.989 -2.008 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.412 2.582 -0.490 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.213 2.515 0.331 1.00 0.54 C ATOM 1191 C TRP A 76 -10.040 3.798 1.143 1.00 0.56 C ATOM 1192 O TRP A 76 -9.601 3.765 2.292 1.00 0.55 O ATOM 1193 CB TRP A 76 -8.985 2.267 -0.551 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.727 2.062 0.226 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.636 2.876 0.240 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.432 0.975 1.110 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.681 2.367 1.084 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.148 1.198 1.629 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.136 -0.162 1.517 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.543 0.323 2.529 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.538 -1.033 2.408 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.254 -0.785 2.909 1.00 0.46 C ATOM 0 H TRP A 76 -11.235 2.516 -1.492 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.317 1.685 1.029 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.165 1.391 -1.174 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.853 3.114 -1.224 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.537 3.788 -0.329 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.772 2.789 1.275 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.130 -0.356 1.142 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.551 0.511 2.913 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.069 -1.919 2.723 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -5.815 -1.481 3.609 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.407 4.926 0.548 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.304 6.209 1.226 1.00 0.65 C ATOM 1215 C ALA A 77 -11.239 6.247 2.429 1.00 0.69 C ATOM 1216 O ALA A 77 -10.898 6.792 3.478 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.611 7.341 0.261 1.00 0.70 C ATOM 0 H ALA A 77 -10.778 4.977 -0.401 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.283 6.338 1.585 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.530 8.295 0.782 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -9.901 7.317 -0.565 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.623 7.224 -0.127 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.413 5.650 2.272 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.388 5.587 3.349 1.00 0.75 C ATOM 1225 C VAL A 78 -12.845 4.732 4.490 1.00 0.71 C ATOM 1226 O VAL A 78 -12.955 5.090 5.667 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.730 4.996 2.864 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -15.756 4.977 3.983 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.264 5.773 1.674 1.00 0.84 C ATOM 0 H VAL A 78 -12.712 5.202 1.406 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.566 6.605 3.696 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.545 3.968 2.553 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.691 4.556 3.613 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.385 4.367 4.807 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -15.930 5.994 4.334 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.210 5.338 1.350 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.422 6.813 1.960 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.545 5.726 0.857 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.234 3.608 4.125 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.659 2.689 5.099 1.00 0.63 C ATOM 1241 C ALA A 79 -10.551 3.369 5.894 1.00 0.63 C ATOM 1242 O ALA A 79 -10.433 3.168 7.104 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.129 1.443 4.409 1.00 0.59 C ATOM 0 H ALA A 79 -12.125 3.312 3.155 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.446 2.392 5.793 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.704 0.769 5.152 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -11.944 0.941 3.888 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.359 1.724 3.691 1.00 0.59 H new ATOM 1249 N MET A 80 -9.750 4.175 5.207 1.00 0.63 N ATOM 1250 CA MET A 80 -8.655 4.896 5.843 1.00 0.66 C ATOM 1251 C MET A 80 -9.175 5.890 6.873 1.00 0.73 C ATOM 1252 O MET A 80 -8.589 6.051 7.943 1.00 0.79 O ATOM 1253 CB MET A 80 -7.816 5.642 4.800 1.00 0.65 C ATOM 1254 CG MET A 80 -6.628 4.847 4.282 1.00 1.08 C ATOM 1255 SD MET A 80 -5.448 5.877 3.388 1.00 1.04 S ATOM 1256 CE MET A 80 -6.326 6.129 1.848 1.00 1.02 C ATOM 0 H MET A 80 -9.839 4.346 4.205 1.00 0.63 H new ATOM 0 HA MET A 80 -8.031 4.158 6.347 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.455 5.911 3.959 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.455 6.573 5.237 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.124 4.365 5.120 1.00 1.08 H new ATOM 0 HG3 MET A 80 -6.984 4.053 3.625 1.00 1.08 H new ATOM 0 HE1 MET A 80 -5.634 6.022 1.013 1.00 1.02 H new ATOM 0 HE2 MET A 80 -7.121 5.389 1.757 1.00 1.02 H new ATOM 0 HE3 MET A 80 -6.758 7.129 1.835 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.281 6.545 6.547 1.00 0.76 N ATOM 1267 CA ALA A 81 -10.882 7.532 7.437 1.00 0.84 C ATOM 1268 C ALA A 81 -11.473 6.871 8.679 1.00 0.87 C ATOM 1269 O ALA A 81 -11.369 7.401 9.788 1.00 0.99 O ATOM 1270 CB ALA A 81 -11.952 8.318 6.697 1.00 0.89 C ATOM 0 H ALA A 81 -10.783 6.411 5.669 1.00 0.76 H new ATOM 0 HA ALA A 81 -10.098 8.216 7.764 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -12.395 9.052 7.370 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -11.504 8.830 5.845 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -12.726 7.636 6.344 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.092 5.714 8.489 1.00 0.80 N ATOM 1277 CA LEU A 82 -12.706 4.985 9.592 1.00 0.82 C ATOM 1278 C LEU A 82 -11.661 4.236 10.413 1.00 0.81 C ATOM 1279 O LEU A 82 -11.840 4.023 11.613 1.00 0.88 O ATOM 1280 CB LEU A 82 -13.749 4.000 9.062 1.00 0.82 C ATOM 1281 CG LEU A 82 -14.936 4.629 8.324 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -15.812 3.547 7.709 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -15.751 5.507 9.268 1.00 0.97 C ATOM 0 H LEU A 82 -12.183 5.259 7.581 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.193 5.714 10.240 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.254 3.301 8.388 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.132 3.418 9.900 1.00 0.82 H new ATOM 0 HG LEU A 82 -14.549 5.258 7.522 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -16.650 4.010 7.189 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.224 2.962 7.002 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.189 2.894 8.496 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -16.589 5.944 8.725 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.129 4.902 10.092 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -15.119 6.303 9.662 1.00 0.97 H new ATOM 1295 N GLY A 83 -10.579 3.840 9.763 1.00 0.75 N ATOM 1296 CA GLY A 83 -9.529 3.116 10.448 1.00 0.74 C ATOM 1297 C GLY A 83 -9.796 1.625 10.479 1.00 0.72 C ATOM 1298 O GLY A 83 -9.475 0.946 11.456 1.00 0.78 O ATOM 0 H GLY A 83 -10.408 4.007 8.771 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -8.576 3.304 9.953 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -9.437 3.489 11.468 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.382 1.117 9.403 1.00 0.67 N ATOM 1303 CA VAL A 84 -10.702 -0.305 9.294 1.00 0.65 C ATOM 1304 C VAL A 84 -10.066 -0.901 8.049 1.00 0.59 C ATOM 1305 O VAL A 84 -10.554 -1.899 7.516 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.227 -0.555 9.236 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -12.832 -0.463 10.624 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -12.904 0.427 8.290 1.00 0.73 C ATOM 0 H VAL A 84 -10.648 1.670 8.588 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.303 -0.784 10.188 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.392 -1.562 8.852 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -13.906 -0.641 10.565 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.374 -1.212 11.271 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -12.651 0.530 11.035 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -13.976 0.230 8.267 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -12.730 1.445 8.637 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.492 0.310 7.288 1.00 0.73 H new ATOM 1318 N GLU A 85 -8.972 -0.294 7.600 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.273 -0.754 6.400 1.00 0.55 C ATOM 1320 C GLU A 85 -7.887 -2.222 6.515 1.00 0.53 C ATOM 1321 O GLU A 85 -8.350 -3.053 5.738 1.00 0.56 O ATOM 1322 CB GLU A 85 -7.019 0.083 6.143 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.276 1.577 6.138 1.00 0.81 C ATOM 1324 CD GLU A 85 -6.866 2.223 7.439 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -7.382 1.805 8.494 1.00 1.71 O ATOM 1326 OE2 GLU A 85 -6.018 3.138 7.415 1.00 1.67 O1- ATOM 0 H GLU A 85 -8.548 0.519 8.048 1.00 0.58 H new ATOM 0 HA GLU A 85 -8.959 -0.636 5.562 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.276 -0.147 6.907 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -6.590 -0.206 5.184 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -6.728 2.037 5.316 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -8.335 1.763 5.958 1.00 0.81 H new ATOM 1333 N ASP A 86 -7.049 -2.529 7.501 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.575 -3.896 7.734 1.00 0.62 C ATOM 1335 C ASP A 86 -7.729 -4.879 7.906 1.00 0.64 C ATOM 1336 O ASP A 86 -7.666 -6.014 7.430 1.00 0.87 O ATOM 1337 CB ASP A 86 -5.692 -3.941 8.980 1.00 0.74 C ATOM 1338 CG ASP A 86 -4.216 -4.062 8.653 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -3.615 -3.058 8.209 1.00 1.91 O ATOM 1340 OD2 ASP A 86 -3.643 -5.158 8.850 1.00 1.75 O1- ATOM 0 H ASP A 86 -6.679 -1.844 8.160 1.00 0.57 H new ATOM 0 HA ASP A 86 -6.002 -4.192 6.855 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -5.856 -3.038 9.568 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -5.992 -4.785 9.601 1.00 0.74 H new ATOM 1345 N LYS A 87 -8.785 -4.430 8.575 1.00 0.59 N ATOM 1346 CA LYS A 87 -9.955 -5.267 8.836 1.00 0.63 C ATOM 1347 C LYS A 87 -10.669 -5.675 7.547 1.00 0.60 C ATOM 1348 O LYS A 87 -11.229 -6.770 7.464 1.00 0.67 O ATOM 1349 CB LYS A 87 -10.939 -4.531 9.751 1.00 0.70 C ATOM 1350 CG LYS A 87 -10.357 -4.134 11.094 1.00 0.79 C ATOM 1351 CD LYS A 87 -9.905 -5.348 11.894 1.00 1.48 C ATOM 1352 CE LYS A 87 -10.304 -5.237 13.363 1.00 1.85 C ATOM 1353 NZ LYS A 87 -9.618 -4.111 14.058 1.00 2.28 N1+ ATOM 0 H LYS A 87 -8.857 -3.484 8.950 1.00 0.59 H new ATOM 0 HA LYS A 87 -9.599 -6.173 9.325 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.292 -3.635 9.241 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -11.809 -5.167 9.918 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -9.511 -3.464 10.940 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -11.103 -3.580 11.664 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -10.342 -6.250 11.465 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -8.823 -5.452 11.818 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -11.383 -5.100 13.434 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -10.068 -6.172 13.872 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -9.923 -4.079 15.052 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -8.589 -4.253 14.016 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -9.863 -3.214 13.592 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.660 -4.804 6.547 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.331 -5.101 5.285 1.00 0.55 C ATOM 1369 C VAL A 88 -10.343 -5.545 4.206 1.00 0.50 C ATOM 1370 O VAL A 88 -10.752 -6.011 3.148 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.148 -3.896 4.765 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.219 -3.501 5.769 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.243 -2.713 4.458 1.00 0.56 C ATOM 0 H VAL A 88 -10.201 -3.894 6.582 1.00 0.56 H new ATOM 0 HA VAL A 88 -12.016 -5.922 5.496 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.637 -4.197 3.838 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.783 -2.651 5.384 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -13.894 -4.341 5.930 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -12.749 -3.227 6.713 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.844 -1.880 4.094 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.717 -2.412 5.364 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.518 -2.998 3.695 1.00 0.56 H new ATOM 1383 N THR A 89 -9.054 -5.429 4.491 1.00 0.48 N ATOM 1384 CA THR A 89 -8.016 -5.806 3.535 1.00 0.44 C ATOM 1385 C THR A 89 -8.134 -7.273 3.112 1.00 0.43 C ATOM 1386 O THR A 89 -8.127 -7.584 1.919 1.00 0.44 O ATOM 1387 CB THR A 89 -6.609 -5.553 4.122 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.417 -4.151 4.354 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.513 -6.057 3.194 1.00 0.79 C ATOM 0 H THR A 89 -8.698 -5.076 5.379 1.00 0.48 H new ATOM 0 HA THR A 89 -8.159 -5.182 2.653 1.00 0.44 H new ATOM 0 HB THR A 89 -6.545 -6.101 5.062 1.00 0.45 H new ATOM 0 HG1 THR A 89 -7.281 -3.730 4.545 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.539 -5.861 3.642 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.632 -7.129 3.039 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.582 -5.542 2.236 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.263 -8.165 4.087 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.360 -9.595 3.802 1.00 0.49 C ATOM 1399 C VAL A 90 -9.618 -9.945 2.991 1.00 0.50 C ATOM 1400 O VAL A 90 -9.499 -10.491 1.894 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.305 -10.451 5.089 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -8.205 -11.931 4.746 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.138 -10.021 5.966 1.00 0.57 C ATOM 0 H VAL A 90 -8.303 -7.927 5.078 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.488 -9.835 3.194 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.228 -10.293 5.646 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -8.167 -12.516 5.665 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -9.076 -12.229 4.162 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -7.300 -12.110 4.165 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.115 -10.634 6.867 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.205 -10.147 5.417 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -7.258 -8.974 6.243 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.839 -9.635 3.489 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.081 -9.957 2.762 1.00 0.57 C ATOM 1415 C PRO A 91 -12.137 -9.342 1.360 1.00 0.57 C ATOM 1416 O PRO A 91 -12.653 -9.961 0.427 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.191 -9.382 3.651 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.513 -8.435 4.582 1.00 0.58 C ATOM 1419 CD PRO A 91 -11.125 -8.972 4.778 1.00 0.54 C ATOM 0 HA PRO A 91 -12.169 -11.030 2.592 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.946 -8.871 3.053 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.702 -10.173 4.200 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.487 -7.429 4.164 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -13.045 -8.373 5.531 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.411 -8.176 4.990 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -11.078 -9.673 5.611 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.606 -8.133 1.208 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.604 -7.466 -0.090 1.00 0.55 C ATOM 1429 C LEU A 92 -10.685 -8.197 -1.057 1.00 0.54 C ATOM 1430 O LEU A 92 -11.036 -8.413 -2.213 1.00 0.59 O ATOM 1431 CB LEU A 92 -11.168 -6.002 0.036 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.211 -5.051 0.640 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.643 -3.646 0.764 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.475 -5.029 -0.203 1.00 0.79 C ATOM 0 H LEU A 92 -11.174 -7.598 1.961 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.623 -7.486 -0.476 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.267 -5.961 0.648 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.898 -5.635 -0.954 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.465 -5.417 1.635 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.396 -2.986 1.194 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -10.765 -3.664 1.410 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -11.360 -3.280 -0.223 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -14.199 -4.348 0.245 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -13.234 -4.691 -1.211 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.900 -6.032 -0.248 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.513 -8.594 -0.566 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.538 -9.314 -1.383 1.00 0.48 C ATOM 1448 C PHE A 93 -9.105 -10.652 -1.846 1.00 0.54 C ATOM 1449 O PHE A 93 -9.010 -11.012 -3.021 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.250 -9.544 -0.592 1.00 0.44 C ATOM 1451 CG PHE A 93 -6.135 -8.609 -0.971 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.669 -8.549 -2.276 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.554 -7.790 -0.017 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.644 -7.686 -2.619 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.530 -6.927 -0.355 1.00 0.43 C ATOM 1456 CZ PHE A 93 -4.074 -6.876 -1.657 1.00 0.41 C ATOM 0 H PHE A 93 -9.215 -8.429 0.395 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.315 -8.707 -2.260 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.462 -9.431 0.471 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.919 -10.571 -0.744 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.111 -9.182 -3.031 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.906 -7.827 1.003 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.290 -7.646 -3.638 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -4.087 -6.293 0.398 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.272 -6.203 -1.923 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.698 -11.378 -0.912 1.00 0.55 N ATOM 1467 CA GLU A 94 -10.288 -12.679 -1.200 1.00 0.62 C ATOM 1468 C GLU A 94 -11.457 -12.555 -2.174 1.00 0.66 C ATOM 1469 O GLU A 94 -11.590 -13.348 -3.109 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.761 -13.331 0.101 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.627 -13.674 1.052 1.00 0.66 C ATOM 1472 CD GLU A 94 -9.051 -15.046 0.791 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -8.326 -15.218 -0.212 1.00 1.70 O ATOM 1474 OE2 GLU A 94 -9.330 -15.969 1.585 1.00 1.46 O1- ATOM 0 H GLU A 94 -9.785 -11.086 0.062 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.525 -13.303 -1.667 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.456 -12.658 0.604 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -11.313 -14.240 -0.137 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.838 -12.928 0.957 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -9.990 -13.625 2.079 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.289 -11.548 -1.959 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.448 -11.343 -2.808 1.00 0.71 C ATOM 1483 C GLY A 95 -13.097 -10.896 -4.214 1.00 0.73 C ATOM 1484 O GLY A 95 -13.941 -10.937 -5.107 1.00 0.82 O ATOM 0 H GLY A 95 -12.183 -10.865 -1.209 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -14.018 -12.271 -2.862 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -14.097 -10.597 -2.349 1.00 0.71 H new ATOM 1488 N VAL A 96 -11.857 -10.472 -4.421 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.429 -10.006 -5.734 1.00 0.67 C ATOM 1490 C VAL A 96 -10.561 -11.041 -6.456 1.00 0.69 C ATOM 1491 O VAL A 96 -10.608 -11.150 -7.682 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.651 -8.667 -5.630 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.002 -8.296 -6.961 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.571 -7.546 -5.160 1.00 0.65 C ATOM 0 H VAL A 96 -11.134 -10.441 -3.702 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.337 -9.850 -6.316 1.00 0.67 H new ATOM 0 HB VAL A 96 -9.858 -8.802 -4.894 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.465 -7.353 -6.854 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.304 -9.079 -7.256 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -10.773 -8.190 -7.724 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.007 -6.616 -5.094 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.389 -7.424 -5.870 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -11.976 -7.795 -4.179 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.787 -11.818 -5.709 1.00 0.66 N ATOM 1505 CA GLN A 97 -8.894 -12.798 -6.335 1.00 0.68 C ATOM 1506 C GLN A 97 -9.267 -14.251 -6.037 1.00 0.75 C ATOM 1507 O GLN A 97 -9.231 -15.093 -6.933 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.455 -12.537 -5.900 1.00 0.63 C ATOM 1509 CG GLN A 97 -7.009 -11.110 -6.151 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.515 -10.935 -6.020 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.741 -11.859 -6.268 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.100 -9.741 -5.640 1.00 0.55 N ATOM 0 H GLN A 97 -9.755 -11.795 -4.690 1.00 0.66 H new ATOM 0 HA GLN A 97 -9.001 -12.667 -7.412 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.356 -12.761 -4.838 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -6.791 -13.218 -6.433 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -7.320 -10.807 -7.151 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.512 -10.447 -5.446 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.777 -9.004 -5.445 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.102 -9.555 -5.542 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.615 -14.550 -4.797 1.00 0.74 N ATOM 1522 CA LYS A 98 -9.960 -15.921 -4.420 1.00 0.81 C ATOM 1523 C LYS A 98 -11.283 -16.353 -5.052 1.00 0.88 C ATOM 1524 O LYS A 98 -11.325 -17.296 -5.845 1.00 1.03 O ATOM 1525 CB LYS A 98 -10.038 -16.048 -2.902 1.00 0.76 C ATOM 1526 CG LYS A 98 -10.051 -17.482 -2.405 1.00 0.88 C ATOM 1527 CD LYS A 98 -10.952 -17.634 -1.195 1.00 1.03 C ATOM 1528 CE LYS A 98 -10.451 -18.713 -0.248 1.00 1.34 C ATOM 1529 NZ LYS A 98 -9.176 -18.331 0.421 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.668 -13.873 -4.036 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.175 -16.579 -4.793 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -9.188 -15.528 -2.460 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -10.938 -15.544 -2.551 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -10.393 -18.143 -3.202 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -9.037 -17.790 -2.148 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -11.011 -16.684 -0.664 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -11.962 -17.879 -1.523 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -11.211 -18.911 0.508 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -10.304 -19.640 -0.802 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -8.743 -19.174 0.850 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -8.524 -17.926 -0.280 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -9.370 -17.627 1.161 1.00 1.41 H new ATOM 1543 N THR A 99 -12.355 -15.659 -4.702 1.00 0.82 N ATOM 1544 CA THR A 99 -13.672 -15.971 -5.233 1.00 0.94 C ATOM 1545 C THR A 99 -13.963 -15.141 -6.474 1.00 0.98 C ATOM 1546 O THR A 99 -14.684 -15.583 -7.373 1.00 1.08 O ATOM 1547 CB THR A 99 -14.765 -15.711 -4.183 1.00 0.96 C ATOM 1548 OG1 THR A 99 -14.529 -14.458 -3.530 1.00 0.95 O ATOM 1549 CG2 THR A 99 -14.804 -16.825 -3.151 1.00 1.31 C ATOM 0 H THR A 99 -12.338 -14.874 -4.051 1.00 0.82 H new ATOM 0 HA THR A 99 -13.676 -17.028 -5.497 1.00 0.94 H new ATOM 0 HB THR A 99 -15.727 -15.680 -4.695 1.00 0.96 H new ATOM 0 HG1 THR A 99 -15.260 -13.839 -3.736 1.00 0.95 H new ATOM 0 HG21 THR A 99 -15.585 -16.617 -2.420 1.00 1.31 H new ATOM 0 HG22 THR A 99 -15.014 -17.773 -3.647 1.00 1.31 H new ATOM 0 HG23 THR A 99 -13.841 -16.886 -2.645 1.00 1.31 H new ATOM 1557 N GLN A 100 -13.382 -13.937 -6.514 1.00 0.90 N ATOM 1558 CA GLN A 100 -13.575 -13.016 -7.634 1.00 0.94 C ATOM 1559 C GLN A 100 -15.052 -12.645 -7.761 1.00 1.01 C ATOM 1560 O GLN A 100 -15.566 -12.425 -8.860 1.00 1.10 O ATOM 1561 CB GLN A 100 -13.049 -13.634 -8.937 1.00 1.01 C ATOM 1562 CG GLN A 100 -11.551 -13.888 -8.929 1.00 0.99 C ATOM 1563 CD GLN A 100 -11.097 -14.782 -10.065 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -10.818 -14.311 -11.171 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -11.013 -16.079 -9.805 1.00 1.44 N ATOM 0 H GLN A 100 -12.772 -13.579 -5.779 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.008 -12.105 -7.442 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -13.568 -14.575 -9.118 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -13.292 -12.971 -9.768 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -11.026 -12.935 -8.992 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -11.270 -14.345 -7.980 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -11.252 -16.430 -8.878 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -10.709 -16.726 -10.532 1.00 1.44 H new ATOM 1574 N THR A 101 -15.719 -12.579 -6.619 1.00 1.00 N ATOM 1575 CA THR A 101 -17.129 -12.241 -6.564 1.00 1.08 C ATOM 1576 C THR A 101 -17.341 -10.737 -6.682 1.00 1.03 C ATOM 1577 O THR A 101 -18.350 -10.286 -7.229 1.00 1.12 O ATOM 1578 CB THR A 101 -17.750 -12.732 -5.244 1.00 1.14 C ATOM 1579 OG1 THR A 101 -16.725 -12.864 -4.249 1.00 1.20 O ATOM 1580 CG2 THR A 101 -18.459 -14.062 -5.432 1.00 1.57 C ATOM 0 H THR A 101 -15.298 -12.758 -5.708 1.00 1.00 H new ATOM 0 HA THR A 101 -17.615 -12.734 -7.405 1.00 1.08 H new ATOM 0 HB THR A 101 -18.487 -11.998 -4.918 1.00 1.14 H new ATOM 0 HG1 THR A 101 -17.123 -13.175 -3.409 1.00 1.20 H new ATOM 0 HG21 THR A 101 -18.887 -14.383 -4.483 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.254 -13.950 -6.169 1.00 1.57 H new ATOM 0 HG23 THR A 101 -17.745 -14.809 -5.779 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.381 -9.973 -6.174 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.458 -8.518 -6.210 1.00 0.88 C ATOM 1590 C ILE A 102 -16.274 -8.012 -7.632 1.00 0.87 C ATOM 1591 O ILE A 102 -15.172 -8.037 -8.182 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.410 -7.867 -5.277 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.697 -8.245 -3.818 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.404 -6.350 -5.440 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.683 -7.703 -2.834 1.00 0.79 C ATOM 0 H ILE A 102 -15.538 -10.339 -5.731 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.448 -8.234 -5.853 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.424 -8.242 -5.553 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.686 -7.877 -3.545 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -15.726 -9.331 -3.733 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -14.659 -5.915 -4.774 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.160 -6.096 -6.472 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.388 -5.953 -5.191 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -14.954 -8.012 -1.825 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.694 -8.091 -3.079 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -14.669 -6.614 -2.888 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.372 -7.576 -8.225 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.357 -7.064 -9.586 1.00 0.95 C ATOM 1609 C ARG A 103 -18.041 -5.706 -9.652 1.00 0.96 C ATOM 1610 O ARG A 103 -17.957 -5.004 -10.662 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.060 -8.037 -10.533 1.00 1.07 C ATOM 1612 CG ARG A 103 -17.502 -9.449 -10.495 1.00 1.12 C ATOM 1613 CD ARG A 103 -16.097 -9.520 -11.076 1.00 1.44 C ATOM 1614 NE ARG A 103 -15.596 -10.895 -11.112 1.00 1.88 N ATOM 1615 CZ ARG A 103 -14.994 -11.445 -12.167 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -14.813 -10.745 -13.282 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -14.576 -12.705 -12.105 1.00 3.22 N ATOM 0 H ARG A 103 -18.291 -7.566 -7.783 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.317 -6.955 -9.895 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.120 -8.070 -10.282 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -17.985 -7.655 -11.551 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -17.487 -9.806 -9.465 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -18.160 -10.115 -11.054 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -16.099 -9.107 -12.085 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -15.425 -8.903 -10.480 1.00 1.44 H new ATOM 0 HE ARG A 103 -15.715 -11.469 -10.277 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -15.136 -9.779 -13.336 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -14.351 -11.174 -14.084 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -14.716 -13.247 -11.253 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -14.115 -13.130 -12.910 1.00 3.22 H new ATOM 1631 N SER A 104 -18.722 -5.347 -8.574 1.00 0.97 N ATOM 1632 CA SER A 104 -19.421 -4.074 -8.493 1.00 1.01 C ATOM 1633 C SER A 104 -19.141 -3.400 -7.150 1.00 0.98 C ATOM 1634 O SER A 104 -18.639 -4.033 -6.219 1.00 0.94 O ATOM 1635 CB SER A 104 -20.924 -4.294 -8.679 1.00 1.13 C ATOM 1636 OG SER A 104 -21.175 -5.246 -9.701 1.00 1.51 O ATOM 0 H SER A 104 -18.805 -5.925 -7.737 1.00 0.97 H new ATOM 0 HA SER A 104 -19.061 -3.420 -9.287 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.364 -4.636 -7.742 1.00 1.13 H new ATOM 0 HB3 SER A 104 -21.405 -3.349 -8.931 1.00 1.13 H new ATOM 0 HG SER A 104 -22.142 -5.371 -9.801 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.472 -2.117 -7.051 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.247 -1.359 -5.823 1.00 1.02 C ATOM 1644 C ALA A 105 -20.174 -1.840 -4.715 1.00 1.05 C ATOM 1645 O ALA A 105 -19.874 -1.699 -3.528 1.00 1.03 O ATOM 1646 CB ALA A 105 -19.451 0.125 -6.073 1.00 1.08 C ATOM 0 H ALA A 105 -19.897 -1.579 -7.806 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.217 -1.522 -5.504 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -19.280 0.677 -5.149 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -18.749 0.466 -6.834 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -20.471 0.299 -6.416 1.00 1.08 H new ATOM 1652 N SER A 106 -21.301 -2.412 -5.114 1.00 1.12 N ATOM 1653 CA SER A 106 -22.276 -2.927 -4.170 1.00 1.17 C ATOM 1654 C SER A 106 -21.679 -4.064 -3.349 1.00 1.09 C ATOM 1655 O SER A 106 -21.947 -4.187 -2.151 1.00 1.09 O ATOM 1656 CB SER A 106 -23.513 -3.414 -4.921 1.00 1.28 C ATOM 1657 OG SER A 106 -23.268 -3.454 -6.320 1.00 1.43 O ATOM 0 H SER A 106 -21.562 -2.530 -6.093 1.00 1.12 H new ATOM 0 HA SER A 106 -22.562 -2.126 -3.489 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.792 -4.406 -4.567 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.354 -2.753 -4.713 1.00 1.28 H new ATOM 0 HG SER A 106 -23.403 -2.561 -6.701 1.00 1.43 H new ATOM 1663 N ASP A 107 -20.845 -4.876 -3.999 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.198 -6.002 -3.335 1.00 0.99 C ATOM 1665 C ASP A 107 -19.279 -5.481 -2.244 1.00 0.91 C ATOM 1666 O ASP A 107 -19.296 -5.967 -1.116 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.387 -6.845 -4.330 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.148 -7.173 -5.604 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.352 -7.483 -5.522 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -19.541 -7.110 -6.696 1.00 1.89 O ATOM 0 H ASP A 107 -20.603 -4.773 -4.985 1.00 1.05 H new ATOM 0 HA ASP A 107 -20.972 -6.637 -2.903 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.474 -6.309 -4.589 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -19.085 -7.774 -3.846 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.494 -4.468 -2.592 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.563 -3.846 -1.657 1.00 0.84 C ATOM 1677 C ILE A 108 -18.311 -3.283 -0.455 1.00 0.86 C ATOM 1678 O ILE A 108 -17.862 -3.397 0.682 1.00 0.83 O ATOM 1679 CB ILE A 108 -16.769 -2.705 -2.334 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.176 -3.171 -3.666 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.663 -2.203 -1.418 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.524 -2.059 -4.468 1.00 0.90 C ATOM 0 H ILE A 108 -18.484 -4.056 -3.525 1.00 0.90 H new ATOM 0 HA ILE A 108 -16.866 -4.617 -1.329 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.460 -1.885 -2.529 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.437 -3.948 -3.472 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -16.965 -3.624 -4.266 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.116 -1.400 -1.913 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.100 -1.827 -0.493 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -14.979 -3.021 -1.191 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.127 -2.466 -5.398 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.264 -1.291 -4.694 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.712 -1.620 -3.888 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.466 -2.696 -0.719 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.290 -2.115 0.329 1.00 0.94 C ATOM 1696 C ARG A 109 -20.740 -3.188 1.319 1.00 0.94 C ATOM 1697 O ARG A 109 -20.688 -2.988 2.532 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.504 -1.431 -0.300 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.395 -0.691 0.686 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.550 -0.012 -0.030 1.00 1.12 C ATOM 1701 NE ARG A 109 -24.345 0.829 0.863 1.00 1.24 N ATOM 1702 CZ ARG A 109 -25.367 0.385 1.591 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -25.688 -0.905 1.585 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -26.077 1.235 2.322 1.00 1.94 N ATOM 0 H ARG A 109 -19.857 -2.609 -1.657 1.00 0.91 H new ATOM 0 HA ARG A 109 -19.702 -1.377 0.875 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.157 -0.726 -1.055 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.101 -2.183 -0.816 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -22.782 -1.390 1.428 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -21.808 0.053 1.225 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -23.160 0.597 -0.846 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.192 -0.771 -0.477 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.102 1.817 0.933 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -25.150 -1.562 1.020 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -26.472 -1.238 2.145 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -25.839 2.227 2.325 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -26.861 0.896 2.880 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.155 -4.339 0.793 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.619 -5.442 1.630 1.00 0.97 C ATOM 1720 C ASP A 110 -20.478 -5.984 2.487 1.00 0.92 C ATOM 1721 O ASP A 110 -20.686 -6.407 3.626 1.00 0.92 O ATOM 1722 CB ASP A 110 -22.210 -6.558 0.763 1.00 1.01 C ATOM 1723 CG ASP A 110 -22.892 -7.643 1.579 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -23.602 -7.314 2.556 1.00 1.95 O ATOM 1725 OD2 ASP A 110 -22.739 -8.835 1.231 1.00 1.85 O1- ATOM 0 H ASP A 110 -21.179 -4.531 -0.208 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.398 -5.065 2.293 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -22.930 -6.128 0.067 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -21.416 -7.005 0.165 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.268 -5.954 1.933 1.00 0.88 N ATOM 1731 CA VAL A 111 -18.083 -6.421 2.647 1.00 0.84 C ATOM 1732 C VAL A 111 -17.850 -5.575 3.895 1.00 0.84 C ATOM 1733 O VAL A 111 -17.576 -6.103 4.972 1.00 0.84 O ATOM 1734 CB VAL A 111 -16.823 -6.383 1.750 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -15.578 -6.768 2.538 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -17.000 -7.300 0.550 1.00 0.86 C ATOM 0 H VAL A 111 -19.083 -5.611 0.991 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.262 -7.457 2.936 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.692 -5.362 1.393 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -14.707 -6.733 1.883 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.439 -6.070 3.363 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -15.695 -7.777 2.932 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -16.105 -7.263 -0.072 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -17.161 -8.322 0.894 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -17.861 -6.974 -0.033 1.00 0.86 H new ATOM 1746 N PHE A 112 -17.984 -4.261 3.746 1.00 0.84 N ATOM 1747 CA PHE A 112 -17.799 -3.342 4.865 1.00 0.85 C ATOM 1748 C PHE A 112 -18.854 -3.585 5.937 1.00 0.89 C ATOM 1749 O PHE A 112 -18.563 -3.541 7.132 1.00 0.92 O ATOM 1750 CB PHE A 112 -17.856 -1.889 4.388 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.534 -1.367 3.907 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.102 -1.624 2.616 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -15.725 -0.618 4.747 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -14.882 -1.143 2.169 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.505 -0.136 4.305 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.086 -0.398 3.015 1.00 0.79 C ATOM 0 H PHE A 112 -18.220 -3.808 2.863 1.00 0.84 H new ATOM 0 HA PHE A 112 -16.815 -3.526 5.296 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.585 -1.807 3.582 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.211 -1.260 5.204 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -16.723 -2.206 1.951 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.049 -0.409 5.756 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.555 -1.351 1.161 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -13.881 0.445 4.968 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.136 -0.020 2.669 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.077 -3.859 5.496 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.180 -4.134 6.412 1.00 0.97 C ATOM 1768 C ILE A 113 -20.902 -5.417 7.189 1.00 0.99 C ATOM 1769 O ILE A 113 -21.296 -5.565 8.350 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.530 -4.251 5.658 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -22.825 -2.949 4.912 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -23.665 -4.568 6.626 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -23.964 -3.054 3.921 1.00 1.33 C ATOM 0 H ILE A 113 -20.331 -3.897 4.509 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.257 -3.297 7.106 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.454 -5.067 4.939 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -23.059 -2.171 5.638 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -21.925 -2.632 4.384 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -24.602 -4.645 6.075 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.461 -5.513 7.129 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -23.744 -3.772 7.367 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.112 -2.091 3.433 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -23.725 -3.808 3.171 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -24.877 -3.339 4.444 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.185 -6.331 6.547 1.00 0.97 N ATOM 1786 CA ASN A 114 -19.826 -7.604 7.159 1.00 1.00 C ATOM 1787 C ASN A 114 -18.681 -7.426 8.146 1.00 0.99 C ATOM 1788 O ASN A 114 -18.403 -8.307 8.962 1.00 1.02 O ATOM 1789 CB ASN A 114 -19.424 -8.620 6.091 1.00 1.01 C ATOM 1790 CG ASN A 114 -20.593 -9.453 5.609 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -20.845 -10.542 6.122 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -21.313 -8.943 4.622 1.00 1.93 N ATOM 0 H ASN A 114 -19.838 -6.212 5.595 1.00 0.97 H new ATOM 0 HA ASN A 114 -20.701 -7.974 7.694 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -18.983 -8.095 5.244 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -18.655 -9.279 6.493 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -22.114 -9.458 4.257 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -21.066 -8.035 4.227 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.016 -6.283 8.065 1.00 0.97 N ATOM 1800 CA ALA A 115 -16.900 -5.980 8.948 1.00 0.97 C ATOM 1801 C ALA A 115 -17.369 -5.216 10.181 1.00 1.01 C ATOM 1802 O ALA A 115 -16.562 -4.853 11.038 1.00 1.10 O ATOM 1803 CB ALA A 115 -15.842 -5.185 8.203 1.00 0.94 C ATOM 0 H ALA A 115 -18.232 -5.547 7.393 1.00 0.97 H new ATOM 0 HA ALA A 115 -16.464 -6.922 9.281 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.012 -4.965 8.875 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -15.479 -5.767 7.356 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.275 -4.252 7.843 1.00 0.94 H new ATOM 1809 N GLY A 116 -18.674 -4.975 10.266 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.225 -4.265 11.406 1.00 1.05 C ATOM 1811 C GLY A 116 -19.579 -2.826 11.089 1.00 1.06 C ATOM 1812 O GLY A 116 -19.982 -2.075 11.976 1.00 1.15 O ATOM 0 H GLY A 116 -19.359 -5.259 9.566 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -20.117 -4.785 11.755 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -18.504 -4.285 12.223 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.427 -2.438 9.834 1.00 1.01 N ATOM 1817 CA ILE A 117 -19.739 -1.079 9.408 1.00 1.02 C ATOM 1818 C ILE A 117 -21.193 -0.995 8.943 1.00 1.04 C ATOM 1819 O ILE A 117 -21.750 -1.974 8.440 1.00 1.06 O ATOM 1820 CB ILE A 117 -18.781 -0.619 8.277 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -17.327 -0.659 8.761 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -19.130 0.779 7.776 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -17.062 0.201 9.982 1.00 1.61 C ATOM 0 H ILE A 117 -19.088 -3.045 9.088 1.00 1.01 H new ATOM 0 HA ILE A 117 -19.601 -0.412 10.259 1.00 1.02 H new ATOM 0 HB ILE A 117 -18.900 -1.311 7.443 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.059 -1.690 8.990 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -16.675 -0.333 7.950 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.437 1.066 6.985 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -20.148 0.782 7.386 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -19.055 1.490 8.599 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -16.012 0.120 10.263 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -17.297 1.240 9.753 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -17.686 -0.138 10.809 1.00 1.61 H new ATOM 1835 N LYS A 118 -21.811 0.160 9.147 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.198 0.367 8.750 1.00 1.12 C ATOM 1837 C LYS A 118 -23.282 0.873 7.314 1.00 1.11 C ATOM 1838 O LYS A 118 -22.376 1.559 6.834 1.00 1.07 O ATOM 1839 CB LYS A 118 -23.891 1.348 9.701 1.00 1.18 C ATOM 1840 CG LYS A 118 -24.176 0.754 11.069 1.00 1.29 C ATOM 1841 CD LYS A 118 -24.551 1.829 12.075 1.00 1.83 C ATOM 1842 CE LYS A 118 -24.614 1.273 13.488 1.00 1.95 C ATOM 1843 NZ LYS A 118 -23.350 0.583 13.864 1.00 2.73 N1+ ATOM 0 H LYS A 118 -21.373 0.970 9.586 1.00 1.08 H new ATOM 0 HA LYS A 118 -23.712 -0.593 8.806 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -23.265 2.233 9.819 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -24.828 1.678 9.253 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -24.986 0.029 10.991 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -23.298 0.214 11.422 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -23.821 2.638 12.033 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -25.517 2.257 11.808 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -24.809 2.084 14.190 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -25.447 0.575 13.568 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -23.157 0.738 14.874 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -23.444 -0.437 13.682 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -22.565 0.965 13.299 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.379 0.541 6.643 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.568 0.942 5.261 1.00 1.19 C ATOM 1859 C GLY A 119 -24.623 2.447 5.078 1.00 1.19 C ATOM 1860 O GLY A 119 -23.835 3.008 4.315 1.00 1.19 O ATOM 0 H GLY A 119 -25.147 -0.003 7.036 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -23.755 0.539 4.658 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.492 0.503 4.885 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.543 3.102 5.784 1.00 1.23 N ATOM 1865 CA GLU A 120 -25.701 4.554 5.693 1.00 1.27 C ATOM 1866 C GLU A 120 -24.416 5.269 6.102 1.00 1.20 C ATOM 1867 O GLU A 120 -24.088 6.333 5.576 1.00 1.22 O ATOM 1868 CB GLU A 120 -26.859 5.026 6.572 1.00 1.35 C ATOM 1869 CG GLU A 120 -28.214 4.506 6.125 1.00 1.80 C ATOM 1870 CD GLU A 120 -29.358 5.118 6.908 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -29.715 4.579 7.979 1.00 2.98 O ATOM 1872 OE2 GLU A 120 -29.908 6.145 6.453 1.00 2.88 O1- ATOM 0 H GLU A 120 -26.192 2.649 6.427 1.00 1.23 H new ATOM 0 HA GLU A 120 -25.922 4.801 4.654 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -26.678 4.708 7.599 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -26.881 6.116 6.575 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -28.349 4.719 5.065 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -28.239 3.422 6.239 1.00 1.80 H new ATOM 1879 N GLU A 121 -23.693 4.668 7.038 1.00 1.16 N ATOM 1880 CA GLU A 121 -22.436 5.225 7.515 1.00 1.12 C ATOM 1881 C GLU A 121 -21.416 5.249 6.377 1.00 1.07 C ATOM 1882 O GLU A 121 -20.700 6.233 6.181 1.00 1.07 O ATOM 1883 CB GLU A 121 -21.922 4.386 8.685 1.00 1.10 C ATOM 1884 CG GLU A 121 -20.548 4.787 9.190 1.00 1.15 C ATOM 1885 CD GLU A 121 -20.156 4.023 10.435 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -20.034 2.781 10.368 1.00 1.97 O ATOM 1887 OE2 GLU A 121 -19.976 4.661 11.495 1.00 2.52 O1- ATOM 0 H GLU A 121 -23.958 3.790 7.484 1.00 1.16 H new ATOM 0 HA GLU A 121 -22.592 6.248 7.858 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -22.633 4.458 9.508 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -21.892 3.340 8.380 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -19.809 4.610 8.409 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -20.538 5.856 9.403 1.00 1.15 H new ATOM 1894 N TYR A 122 -21.383 4.161 5.617 1.00 1.04 N ATOM 1895 CA TYR A 122 -20.480 4.029 4.487 1.00 1.01 C ATOM 1896 C TYR A 122 -20.897 4.975 3.365 1.00 1.05 C ATOM 1897 O TYR A 122 -20.061 5.660 2.779 1.00 1.05 O ATOM 1898 CB TYR A 122 -20.479 2.576 3.993 1.00 1.00 C ATOM 1899 CG TYR A 122 -19.520 2.302 2.852 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.145 2.357 3.041 1.00 1.50 C ATOM 1901 CD2 TYR A 122 -19.994 1.983 1.585 1.00 1.30 C ATOM 1902 CE1 TYR A 122 -17.270 2.105 2.002 1.00 1.51 C ATOM 1903 CE2 TYR A 122 -19.126 1.728 0.543 1.00 1.28 C ATOM 1904 CZ TYR A 122 -17.768 1.790 0.754 1.00 0.93 C ATOM 1905 OH TYR A 122 -16.906 1.538 -0.282 1.00 0.95 O ATOM 0 H TYR A 122 -21.981 3.349 5.769 1.00 1.04 H new ATOM 0 HA TYR A 122 -19.471 4.295 4.802 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -20.227 1.922 4.828 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -21.488 2.313 3.675 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -17.753 2.601 4.017 1.00 1.50 H new ATOM 0 HD2 TYR A 122 -21.059 1.934 1.413 1.00 1.30 H new ATOM 0 HE1 TYR A 122 -16.204 2.154 2.165 1.00 1.51 H new ATOM 0 HE2 TYR A 122 -19.512 1.481 -0.435 1.00 1.28 H new ATOM 0 HH TYR A 122 -16.940 2.278 -0.923 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.198 5.022 3.091 1.00 1.11 N ATOM 1916 CA ASP A 123 -22.734 5.882 2.037 1.00 1.18 C ATOM 1917 C ASP A 123 -22.420 7.347 2.319 1.00 1.18 C ATOM 1918 O ASP A 123 -22.100 8.115 1.407 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.253 5.717 1.906 1.00 1.25 C ATOM 1920 CG ASP A 123 -24.683 4.297 1.581 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -23.998 3.619 0.784 1.00 2.25 O ATOM 1922 OD2 ASP A 123 -25.725 3.850 2.108 1.00 2.30 O1- ATOM 0 H ASP A 123 -22.903 4.474 3.585 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.259 5.580 1.104 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -24.726 6.027 2.838 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -24.617 6.386 1.126 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.527 7.730 3.586 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.254 9.098 4.006 1.00 1.20 C ATOM 1929 C ALA A 124 -20.803 9.486 3.744 1.00 1.17 C ATOM 1930 O ALA A 124 -20.529 10.538 3.167 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.585 9.274 5.480 1.00 1.21 C ATOM 0 H ALA A 124 -22.803 7.107 4.345 1.00 1.18 H new ATOM 0 HA ALA A 124 -22.889 9.758 3.415 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -22.376 10.301 5.780 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.640 9.056 5.645 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -21.976 8.592 6.074 1.00 1.21 H new ATOM 1937 N ALA A 125 -19.882 8.620 4.157 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.455 8.873 3.985 1.00 1.06 C ATOM 1939 C ALA A 125 -18.043 8.804 2.516 1.00 1.08 C ATOM 1940 O ALA A 125 -17.158 9.533 2.080 1.00 1.11 O ATOM 1941 CB ALA A 125 -17.643 7.888 4.816 1.00 1.02 C ATOM 0 H ALA A 125 -20.099 7.735 4.614 1.00 1.09 H new ATOM 0 HA ALA A 125 -18.250 9.885 4.334 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -16.580 8.087 4.680 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -17.901 8.001 5.869 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -17.866 6.871 4.495 1.00 1.02 H new ATOM 1947 N TRP A 126 -18.700 7.934 1.759 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.412 7.769 0.332 1.00 1.10 C ATOM 1949 C TRP A 126 -18.558 9.095 -0.415 1.00 1.21 C ATOM 1950 O TRP A 126 -17.844 9.359 -1.385 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.357 6.712 -0.261 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.212 6.503 -1.743 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -19.883 7.161 -2.735 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.351 5.560 -2.398 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -19.492 6.692 -3.963 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.552 5.708 -3.784 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.429 4.609 -1.948 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -17.868 4.939 -4.719 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -16.751 3.848 -2.882 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -16.972 4.017 -4.253 1.00 0.96 C ATOM 0 H TRP A 126 -19.441 7.326 2.108 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.380 7.437 0.219 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.182 5.763 0.245 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.386 7.003 -0.047 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -20.616 7.938 -2.575 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -19.843 7.021 -4.863 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.250 4.472 -0.892 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -18.039 5.066 -5.778 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -16.038 3.109 -2.547 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.425 3.408 -4.957 1.00 0.96 H new ATOM 1971 N ASN A 127 -19.463 9.935 0.064 1.00 1.27 N ATOM 1972 CA ASN A 127 -19.722 11.225 -0.560 1.00 1.39 C ATOM 1973 C ASN A 127 -19.135 12.366 0.266 1.00 1.41 C ATOM 1974 O ASN A 127 -19.651 13.484 0.249 1.00 1.53 O ATOM 1975 CB ASN A 127 -21.231 11.435 -0.735 1.00 1.49 C ATOM 1976 CG ASN A 127 -21.832 10.498 -1.763 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -21.853 10.797 -2.958 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -22.327 9.355 -1.311 1.00 1.49 N ATOM 0 H ASN A 127 -20.034 9.745 0.888 1.00 1.27 H new ATOM 0 HA ASN A 127 -19.240 11.226 -1.538 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -21.729 11.285 0.223 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -21.419 12.466 -1.034 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -22.744 8.688 -1.960 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -22.291 9.143 -0.314 1.00 1.49 H new ATOM 1985 N SER A 128 -18.060 12.089 0.992 1.00 1.34 N ATOM 1986 CA SER A 128 -17.421 13.106 1.818 1.00 1.37 C ATOM 1987 C SER A 128 -16.293 13.795 1.048 1.00 1.36 C ATOM 1988 O SER A 128 -15.611 13.167 0.231 1.00 1.34 O ATOM 1989 CB SER A 128 -16.876 12.480 3.106 1.00 1.32 C ATOM 1990 OG SER A 128 -16.607 13.466 4.090 1.00 2.04 O ATOM 0 H SER A 128 -17.613 11.173 1.026 1.00 1.34 H new ATOM 0 HA SER A 128 -18.169 13.855 2.080 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.597 11.762 3.496 1.00 1.32 H new ATOM 0 HB3 SER A 128 -15.963 11.927 2.885 1.00 1.32 H new ATOM 0 HG SER A 128 -16.262 13.035 4.900 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.105 15.084 1.308 1.00 1.41 N ATOM 1997 CA PHE A 129 -15.057 15.859 0.654 1.00 1.43 C ATOM 1998 C PHE A 129 -13.675 15.294 0.986 1.00 1.32 C ATOM 1999 O PHE A 129 -12.786 15.256 0.131 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.153 17.331 1.085 1.00 1.58 C ATOM 2001 CG PHE A 129 -13.891 18.124 0.864 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -13.472 18.457 -0.417 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -13.114 18.529 1.940 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -12.307 19.174 -0.619 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -11.951 19.248 1.743 1.00 3.66 C ATOM 2006 CZ PHE A 129 -11.549 19.568 0.464 1.00 3.82 C ATOM 0 H PHE A 129 -16.668 15.617 1.971 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.197 15.794 -0.425 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -15.967 17.806 0.537 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -15.414 17.372 2.143 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -14.064 18.152 -1.267 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -13.422 18.279 2.944 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -11.992 19.425 -1.621 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -11.358 19.559 2.590 1.00 3.66 H new ATOM 0 HZ PHE A 129 -10.639 20.128 0.309 1.00 3.82 H new ATOM 2016 N VAL A 130 -13.508 14.846 2.225 1.00 1.34 N ATOM 2017 CA VAL A 130 -12.239 14.285 2.674 1.00 1.27 C ATOM 2018 C VAL A 130 -11.862 13.080 1.821 1.00 1.13 C ATOM 2019 O VAL A 130 -10.711 12.923 1.411 1.00 1.06 O ATOM 2020 CB VAL A 130 -12.311 13.865 4.156 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -10.928 13.512 4.675 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -12.933 14.972 4.999 1.00 1.53 C ATOM 0 H VAL A 130 -14.237 14.860 2.938 1.00 1.34 H new ATOM 0 HA VAL A 130 -11.477 15.057 2.568 1.00 1.27 H new ATOM 0 HB VAL A 130 -12.944 12.981 4.232 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -10.997 13.218 5.722 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -10.520 12.686 4.092 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -10.273 14.378 4.584 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -12.975 14.656 6.041 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -12.328 15.875 4.918 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -13.942 15.178 4.642 1.00 1.53 H new ATOM 2032 N VAL A 131 -12.856 12.254 1.534 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.658 11.067 0.723 1.00 1.01 C ATOM 2034 C VAL A 131 -12.316 11.453 -0.715 1.00 0.96 C ATOM 2035 O VAL A 131 -11.367 10.926 -1.296 1.00 0.90 O ATOM 2036 CB VAL A 131 -13.913 10.168 0.752 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.848 9.085 -0.311 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -14.068 9.539 2.126 1.00 1.08 C ATOM 0 H VAL A 131 -13.815 12.387 1.855 1.00 1.11 H new ATOM 0 HA VAL A 131 -11.823 10.505 1.142 1.00 1.01 H new ATOM 0 HB VAL A 131 -14.779 10.794 0.538 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.748 8.472 -0.261 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.777 9.546 -1.296 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -12.972 8.459 -0.140 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -14.955 8.906 2.139 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.189 8.935 2.351 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.171 10.323 2.876 1.00 1.08 H new ATOM 2048 N LYS A 132 -13.069 12.405 -1.265 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.846 12.875 -2.633 1.00 1.01 C ATOM 2050 C LYS A 132 -11.431 13.427 -2.795 1.00 0.96 C ATOM 2051 O LYS A 132 -10.792 13.233 -3.831 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.870 13.949 -3.004 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.148 13.393 -3.614 1.00 1.32 C ATOM 2054 CD LYS A 132 -16.168 14.490 -3.871 1.00 1.44 C ATOM 2055 CE LYS A 132 -17.384 13.967 -4.619 1.00 1.93 C ATOM 2056 NZ LYS A 132 -18.359 15.051 -4.918 1.00 2.43 N1+ ATOM 0 H LYS A 132 -13.840 12.867 -0.784 1.00 1.02 H new ATOM 0 HA LYS A 132 -12.966 12.025 -3.304 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -14.123 14.520 -2.111 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.414 14.644 -3.709 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -14.914 12.886 -4.550 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.576 12.646 -2.945 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -16.484 14.922 -2.922 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -15.704 15.290 -4.447 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -17.064 13.499 -5.550 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -17.871 13.194 -4.025 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -19.174 14.654 -5.428 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -18.684 15.481 -4.028 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -17.902 15.777 -5.506 1.00 2.43 H new ATOM 2070 N SER A 133 -10.953 14.115 -1.768 1.00 0.99 N ATOM 2071 CA SER A 133 -9.613 14.680 -1.785 1.00 0.96 C ATOM 2072 C SER A 133 -8.564 13.569 -1.705 1.00 0.88 C ATOM 2073 O SER A 133 -7.575 13.579 -2.438 1.00 0.86 O ATOM 2074 CB SER A 133 -9.436 15.672 -0.630 1.00 1.04 C ATOM 2075 OG SER A 133 -8.843 16.881 -1.078 1.00 1.47 O ATOM 0 H SER A 133 -11.475 14.295 -0.911 1.00 0.99 H new ATOM 0 HA SER A 133 -9.475 15.217 -2.724 1.00 0.96 H new ATOM 0 HB2 SER A 133 -10.405 15.885 -0.178 1.00 1.04 H new ATOM 0 HB3 SER A 133 -8.814 15.224 0.145 1.00 1.04 H new ATOM 0 HG SER A 133 -8.743 17.496 -0.322 1.00 1.47 H new ATOM 2081 N LEU A 134 -8.804 12.595 -0.830 1.00 0.85 N ATOM 2082 CA LEU A 134 -7.888 11.471 -0.652 1.00 0.79 C ATOM 2083 C LEU A 134 -7.776 10.652 -1.934 1.00 0.72 C ATOM 2084 O LEU A 134 -6.695 10.172 -2.280 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.349 10.581 0.505 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.073 11.140 1.901 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -8.560 10.172 2.967 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -6.588 11.427 2.080 1.00 0.93 C ATOM 0 H LEU A 134 -9.629 12.562 -0.231 1.00 0.85 H new ATOM 0 HA LEU A 134 -6.903 11.873 -0.414 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.420 10.407 0.405 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -7.859 9.611 0.415 1.00 0.80 H new ATOM 0 HG LEU A 134 -8.619 12.077 2.010 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -8.356 10.585 3.955 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -9.633 10.016 2.854 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -8.041 9.220 2.858 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -6.412 11.824 3.080 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.021 10.505 1.951 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -6.267 12.158 1.338 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.899 10.493 -2.632 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.927 9.749 -3.888 1.00 0.69 C ATOM 2102 C VAL A 135 -8.000 10.397 -4.907 1.00 0.68 C ATOM 2103 O VAL A 135 -7.130 9.735 -5.469 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.354 9.662 -4.481 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -10.334 9.076 -5.890 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.245 8.833 -3.576 1.00 0.80 C ATOM 0 H VAL A 135 -9.803 10.871 -2.348 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.589 8.737 -3.667 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.756 10.673 -4.546 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -11.351 9.028 -6.279 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.727 9.708 -6.538 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.909 8.073 -5.861 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.247 8.778 -4.003 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.835 7.827 -3.483 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.295 9.297 -2.591 1.00 0.80 H new ATOM 2116 N ALA A 136 -8.177 11.696 -5.114 1.00 0.74 N ATOM 2117 CA ALA A 136 -7.362 12.440 -6.067 1.00 0.75 C ATOM 2118 C ALA A 136 -5.879 12.348 -5.721 1.00 0.70 C ATOM 2119 O ALA A 136 -5.032 12.262 -6.608 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.800 13.893 -6.116 1.00 0.85 C ATOM 0 H ALA A 136 -8.880 12.258 -4.633 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.506 11.992 -7.050 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -7.182 14.435 -6.832 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.844 13.948 -6.423 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.688 14.340 -5.128 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.578 12.361 -4.428 1.00 0.72 N ATOM 2127 CA GLN A 137 -4.203 12.277 -3.948 1.00 0.71 C ATOM 2128 C GLN A 137 -3.576 10.932 -4.297 1.00 0.63 C ATOM 2129 O GLN A 137 -2.406 10.865 -4.674 1.00 0.63 O ATOM 2130 CB GLN A 137 -4.158 12.479 -2.433 1.00 0.78 C ATOM 2131 CG GLN A 137 -4.377 13.918 -1.994 1.00 0.84 C ATOM 2132 CD GLN A 137 -4.479 14.060 -0.487 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -3.867 13.295 0.265 1.00 1.08 O ATOM 2134 NE2 GLN A 137 -5.248 15.038 -0.039 1.00 1.39 N ATOM 0 H GLN A 137 -6.275 12.430 -3.686 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.632 13.065 -4.440 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -4.918 11.849 -1.970 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -3.192 12.139 -2.060 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -3.555 14.534 -2.358 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -5.289 14.299 -2.454 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -5.735 15.646 -0.697 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -5.354 15.184 0.965 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.365 9.869 -4.175 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.890 8.518 -4.461 1.00 0.52 C ATOM 2145 C GLN A 138 -3.430 8.385 -5.912 1.00 0.55 C ATOM 2146 O GLN A 138 -2.359 7.841 -6.184 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.982 7.488 -4.153 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.305 7.367 -2.669 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.411 6.373 -2.388 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.171 5.173 -2.250 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.632 6.869 -2.284 1.00 0.61 N ATOM 0 H GLN A 138 -5.340 9.917 -3.879 1.00 0.58 H new ATOM 0 HA GLN A 138 -3.032 8.325 -3.817 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.889 7.760 -4.693 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.668 6.514 -4.528 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.407 7.066 -2.130 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.595 8.345 -2.284 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.788 7.870 -2.405 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.418 6.251 -2.082 1.00 0.61 H new ATOM 2160 N GLU A 139 -4.231 8.897 -6.841 1.00 0.60 N ATOM 2161 CA GLU A 139 -3.887 8.825 -8.258 1.00 0.67 C ATOM 2162 C GLU A 139 -2.820 9.853 -8.618 1.00 0.64 C ATOM 2163 O GLU A 139 -1.968 9.601 -9.473 1.00 0.66 O ATOM 2164 CB GLU A 139 -5.118 9.034 -9.152 1.00 0.78 C ATOM 2165 CG GLU A 139 -6.368 9.481 -8.413 1.00 1.18 C ATOM 2166 CD GLU A 139 -7.483 9.890 -9.351 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -7.890 9.062 -10.196 1.00 2.82 O ATOM 2168 OE2 GLU A 139 -7.949 11.042 -9.254 1.00 2.63 O1- ATOM 0 H GLU A 139 -5.116 9.363 -6.641 1.00 0.60 H new ATOM 0 HA GLU A 139 -3.494 7.824 -8.435 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -4.876 9.776 -9.913 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -5.334 8.102 -9.674 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -6.716 8.671 -7.772 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -6.120 10.319 -7.761 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.856 11.007 -7.957 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.893 12.064 -8.234 1.00 0.65 C ATOM 2177 C LYS A 140 -0.479 11.641 -7.849 1.00 0.63 C ATOM 2178 O LYS A 140 0.438 11.730 -8.664 1.00 0.64 O ATOM 2179 CB LYS A 140 -2.255 13.360 -7.504 1.00 0.71 C ATOM 2180 CG LYS A 140 -1.447 14.559 -7.980 1.00 0.85 C ATOM 2181 CD LYS A 140 -1.791 15.822 -7.208 1.00 1.16 C ATOM 2182 CE LYS A 140 -0.864 16.971 -7.580 1.00 1.57 C ATOM 2183 NZ LYS A 140 0.550 16.703 -7.197 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.537 11.231 -7.231 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.927 12.247 -9.308 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -3.316 13.565 -7.645 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -2.096 13.224 -6.434 1.00 0.71 H new ATOM 0 HG2 LYS A 140 -0.384 14.346 -7.870 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -1.632 14.722 -9.042 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -2.824 16.105 -7.412 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -1.720 15.627 -6.138 1.00 1.16 H new ATOM 0 HE2 LYS A 140 -0.920 17.147 -8.654 1.00 1.57 H new ATOM 0 HE3 LYS A 140 -1.204 17.883 -7.089 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 1.037 17.604 -7.017 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 0.572 16.119 -6.337 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 1.029 16.199 -7.970 1.00 1.95 H new ATOM 2197 N ALA A 141 -0.319 11.161 -6.619 1.00 0.62 N ATOM 2198 CA ALA A 141 0.990 10.742 -6.116 1.00 0.62 C ATOM 2199 C ALA A 141 1.581 9.622 -6.964 1.00 0.58 C ATOM 2200 O ALA A 141 2.777 9.631 -7.263 1.00 0.60 O ATOM 2201 CB ALA A 141 0.882 10.306 -4.661 1.00 0.65 C ATOM 0 H ALA A 141 -1.080 11.052 -5.949 1.00 0.62 H new ATOM 0 HA ALA A 141 1.662 11.598 -6.181 1.00 0.62 H new ATOM 0 HB1 ALA A 141 1.863 9.997 -4.300 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.519 11.138 -4.058 1.00 0.65 H new ATOM 0 HB3 ALA A 141 0.187 9.470 -4.582 1.00 0.65 H new ATOM 2207 N ALA A 142 0.736 8.674 -7.365 1.00 0.56 N ATOM 2208 CA ALA A 142 1.170 7.544 -8.181 1.00 0.54 C ATOM 2209 C ALA A 142 1.730 8.009 -9.525 1.00 0.57 C ATOM 2210 O ALA A 142 2.714 7.461 -10.022 1.00 0.61 O ATOM 2211 CB ALA A 142 0.016 6.573 -8.400 1.00 0.53 C ATOM 0 H ALA A 142 -0.258 8.667 -7.136 1.00 0.56 H new ATOM 0 HA ALA A 142 1.968 7.032 -7.643 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.356 5.736 -9.010 1.00 0.53 H new ATOM 0 HB2 ALA A 142 -0.335 6.201 -7.437 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.800 7.086 -8.910 1.00 0.53 H new ATOM 2217 N ALA A 143 1.109 9.031 -10.100 1.00 0.58 N ATOM 2218 CA ALA A 143 1.544 9.558 -11.387 1.00 0.63 C ATOM 2219 C ALA A 143 2.671 10.580 -11.225 1.00 0.66 C ATOM 2220 O ALA A 143 3.489 10.755 -12.127 1.00 0.72 O ATOM 2221 CB ALA A 143 0.363 10.170 -12.125 1.00 0.69 C ATOM 0 H ALA A 143 0.304 9.511 -9.697 1.00 0.58 H new ATOM 0 HA ALA A 143 1.939 8.730 -11.976 1.00 0.63 H new ATOM 0 HB1 ALA A 143 0.698 10.561 -13.086 1.00 0.69 H new ATOM 0 HB2 ALA A 143 -0.398 9.407 -12.289 1.00 0.69 H new ATOM 0 HB3 ALA A 143 -0.058 10.980 -11.530 1.00 0.69 H new ATOM 2227 N ASP A 144 2.722 11.238 -10.071 1.00 0.67 N ATOM 2228 CA ASP A 144 3.753 12.240 -9.806 1.00 0.71 C ATOM 2229 C ASP A 144 5.117 11.579 -9.651 1.00 0.72 C ATOM 2230 O ASP A 144 6.138 12.118 -10.077 1.00 0.79 O ATOM 2231 CB ASP A 144 3.424 13.047 -8.544 1.00 0.73 C ATOM 2232 CG ASP A 144 3.220 14.522 -8.830 1.00 0.85 C ATOM 2233 OD1 ASP A 144 4.196 15.192 -9.242 1.00 1.38 O1- ATOM 2234 OD2 ASP A 144 2.083 15.023 -8.650 1.00 1.39 O ATOM 0 H ASP A 144 2.064 11.097 -9.305 1.00 0.67 H new ATOM 0 HA ASP A 144 3.781 12.920 -10.658 1.00 0.71 H new ATOM 0 HB2 ASP A 144 2.523 12.642 -8.083 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.232 12.929 -7.821 1.00 0.73 H new ATOM 2239 N VAL A 145 5.129 10.401 -9.043 1.00 0.68 N ATOM 2240 CA VAL A 145 6.369 9.661 -8.835 1.00 0.70 C ATOM 2241 C VAL A 145 6.590 8.671 -9.985 1.00 0.70 C ATOM 2242 O VAL A 145 7.634 8.020 -10.071 1.00 0.75 O ATOM 2243 CB VAL A 145 6.362 8.912 -7.480 1.00 0.68 C ATOM 2244 CG1 VAL A 145 5.425 7.718 -7.528 1.00 1.34 C ATOM 2245 CG2 VAL A 145 7.772 8.485 -7.092 1.00 1.34 C ATOM 0 H VAL A 145 4.295 9.936 -8.685 1.00 0.68 H new ATOM 0 HA VAL A 145 7.189 10.379 -8.815 1.00 0.70 H new ATOM 0 HB VAL A 145 5.995 9.596 -6.715 1.00 0.68 H new ATOM 0 HG11 VAL A 145 5.437 7.207 -6.565 1.00 1.34 H new ATOM 0 HG12 VAL A 145 4.413 8.058 -7.746 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.752 7.030 -8.308 1.00 1.34 H new ATOM 0 HG21 VAL A 145 7.743 7.961 -6.137 1.00 1.34 H new ATOM 0 HG22 VAL A 145 8.175 7.822 -7.858 1.00 1.34 H new ATOM 0 HG23 VAL A 145 8.408 9.366 -7.003 1.00 1.34 H new ATOM 2255 N GLN A 146 5.602 8.600 -10.882 1.00 0.68 N ATOM 2256 CA GLN A 146 5.644 7.700 -12.032 1.00 0.71 C ATOM 2257 C GLN A 146 5.810 6.260 -11.565 1.00 0.63 C ATOM 2258 O GLN A 146 6.894 5.682 -11.662 1.00 0.69 O ATOM 2259 CB GLN A 146 6.775 8.082 -12.988 1.00 0.86 C ATOM 2260 CG GLN A 146 6.711 9.514 -13.500 1.00 1.03 C ATOM 2261 CD GLN A 146 7.904 9.867 -14.368 1.00 1.30 C ATOM 2262 OE1 GLN A 146 9.003 9.345 -14.177 1.00 1.61 O ATOM 2263 NE2 GLN A 146 7.694 10.747 -15.330 1.00 1.95 N ATOM 0 H GLN A 146 4.754 9.164 -10.829 1.00 0.68 H new ATOM 0 HA GLN A 146 4.701 7.792 -12.571 1.00 0.71 H new ATOM 0 HB2 GLN A 146 7.728 7.933 -12.481 1.00 0.86 H new ATOM 0 HB3 GLN A 146 6.758 7.403 -13.841 1.00 0.86 H new ATOM 0 HG2 GLN A 146 5.794 9.653 -14.073 1.00 1.03 H new ATOM 0 HG3 GLN A 146 6.665 10.199 -12.653 1.00 1.03 H new ATOM 0 HE21 GLN A 146 6.768 11.156 -15.454 1.00 1.95 H new ATOM 0 HE22 GLN A 146 8.458 11.018 -15.949 1.00 1.95 H new ATOM 2272 N LEU A 147 4.734 5.705 -11.034 1.00 0.55 N ATOM 2273 CA LEU A 147 4.737 4.340 -10.535 1.00 0.49 C ATOM 2274 C LEU A 147 5.089 3.343 -11.638 1.00 0.50 C ATOM 2275 O LEU A 147 4.444 3.307 -12.685 1.00 0.62 O ATOM 2276 CB LEU A 147 3.367 3.999 -9.935 1.00 0.51 C ATOM 2277 CG LEU A 147 3.411 3.238 -8.612 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.195 4.017 -7.571 1.00 0.71 C ATOM 2279 CD2 LEU A 147 2.005 2.955 -8.116 1.00 0.55 C ATOM 0 H LEU A 147 3.839 6.184 -10.937 1.00 0.55 H new ATOM 0 HA LEU A 147 5.501 4.266 -9.761 1.00 0.49 H new ATOM 0 HB2 LEU A 147 2.812 4.925 -9.785 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.808 3.406 -10.659 1.00 0.51 H new ATOM 0 HG LEU A 147 3.917 2.287 -8.780 1.00 0.46 H new ATOM 0 HD11 LEU A 147 4.214 3.457 -6.636 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.215 4.170 -7.923 1.00 0.71 H new ATOM 0 HD13 LEU A 147 3.719 4.984 -7.405 1.00 0.71 H new ATOM 0 HD21 LEU A 147 2.055 2.412 -7.172 1.00 0.55 H new ATOM 0 HD22 LEU A 147 1.476 3.896 -7.966 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.473 2.353 -8.853 1.00 0.55 H new ATOM 2291 N ARG A 148 6.121 2.542 -11.395 1.00 0.53 N ATOM 2292 CA ARG A 148 6.569 1.538 -12.357 1.00 0.64 C ATOM 2293 C ARG A 148 6.117 0.145 -11.929 1.00 0.61 C ATOM 2294 O ARG A 148 6.652 -0.865 -12.382 1.00 1.08 O ATOM 2295 CB ARG A 148 8.097 1.560 -12.497 1.00 0.84 C ATOM 2296 CG ARG A 148 8.602 2.514 -13.566 1.00 1.02 C ATOM 2297 CD ARG A 148 8.856 3.903 -13.009 1.00 1.75 C ATOM 2298 NE ARG A 148 10.057 3.950 -12.175 1.00 2.46 N ATOM 2299 CZ ARG A 148 10.418 4.995 -11.435 1.00 3.34 C ATOM 2300 NH1 ARG A 148 9.633 6.062 -11.357 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 11.554 4.958 -10.750 1.00 4.16 N ATOM 0 H ARG A 148 6.667 2.568 -10.534 1.00 0.53 H new ATOM 0 HA ARG A 148 6.122 1.779 -13.322 1.00 0.64 H new ATOM 0 HB2 ARG A 148 8.536 1.838 -11.539 1.00 0.84 H new ATOM 0 HB3 ARG A 148 8.446 0.553 -12.728 1.00 0.84 H new ATOM 0 HG2 ARG A 148 9.523 2.122 -13.997 1.00 1.02 H new ATOM 0 HG3 ARG A 148 7.872 2.574 -14.373 1.00 1.02 H new ATOM 0 HD2 ARG A 148 8.959 4.610 -13.832 1.00 1.75 H new ATOM 0 HD3 ARG A 148 7.995 4.221 -12.422 1.00 1.75 H new ATOM 0 HE ARG A 148 10.658 3.126 -12.160 1.00 2.46 H new ATOM 0 HH11 ARG A 148 8.749 6.083 -11.866 1.00 3.78 H new ATOM 0 HH12 ARG A 148 9.914 6.861 -10.788 1.00 3.78 H new ATOM 0 HH21 ARG A 148 12.148 4.130 -10.792 1.00 4.16 H new ATOM 0 HH22 ARG A 148 11.833 5.758 -10.182 1.00 4.16 H new ATOM 2315 N GLY A 149 5.131 0.103 -11.054 1.00 0.49 N ATOM 2316 CA GLY A 149 4.614 -1.155 -10.567 1.00 0.45 C ATOM 2317 C GLY A 149 3.488 -0.931 -9.586 1.00 0.42 C ATOM 2318 O GLY A 149 3.229 0.207 -9.206 1.00 0.68 O ATOM 0 H GLY A 149 4.673 0.928 -10.667 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.258 -1.755 -11.404 1.00 0.45 H new ATOM 0 HA3 GLY A 149 5.413 -1.720 -10.087 1.00 0.45 H new ATOM 2322 N VAL A 150 2.819 -1.996 -9.176 1.00 0.31 N ATOM 2323 CA VAL A 150 1.719 -1.870 -8.237 1.00 0.32 C ATOM 2324 C VAL A 150 2.222 -1.848 -6.790 1.00 0.33 C ATOM 2325 O VAL A 150 1.952 -0.891 -6.072 1.00 0.38 O ATOM 2326 CB VAL A 150 0.661 -2.983 -8.414 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.689 -2.509 -7.910 1.00 0.45 C ATOM 2328 CG2 VAL A 150 0.574 -3.417 -9.869 1.00 0.49 C ATOM 0 H VAL A 150 3.017 -2.950 -9.476 1.00 0.31 H new ATOM 0 HA VAL A 150 1.236 -0.918 -8.457 1.00 0.32 H new ATOM 0 HB VAL A 150 0.965 -3.848 -7.824 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -1.425 -3.302 -8.040 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.614 -2.254 -6.853 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -1.000 -1.630 -8.474 1.00 0.45 H new ATOM 0 HG21 VAL A 150 -0.177 -4.201 -9.971 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.294 -2.564 -10.487 1.00 0.49 H new ATOM 0 HG23 VAL A 150 1.542 -3.798 -10.194 1.00 0.49 H new ATOM 2338 N PRO A 151 2.973 -2.881 -6.331 1.00 0.35 N ATOM 2339 CA PRO A 151 3.488 -2.921 -4.963 1.00 0.41 C ATOM 2340 C PRO A 151 4.765 -2.106 -4.828 1.00 0.40 C ATOM 2341 O PRO A 151 5.870 -2.615 -5.022 1.00 0.56 O ATOM 2342 CB PRO A 151 3.763 -4.415 -4.716 1.00 0.50 C ATOM 2343 CG PRO A 151 3.427 -5.122 -5.996 1.00 0.53 C ATOM 2344 CD PRO A 151 3.403 -4.073 -7.070 1.00 0.37 C ATOM 0 HA PRO A 151 2.790 -2.494 -4.243 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.806 -4.579 -4.444 1.00 0.50 H new ATOM 0 HB3 PRO A 151 3.156 -4.791 -3.893 1.00 0.50 H new ATOM 0 HG2 PRO A 151 4.167 -5.890 -6.221 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.461 -5.622 -5.921 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.383 -3.937 -7.528 1.00 0.37 H new ATOM 0 HD3 PRO A 151 2.709 -4.327 -7.872 1.00 0.37 H new ATOM 2352 N ALA A 152 4.609 -0.827 -4.528 1.00 0.38 N ATOM 2353 CA ALA A 152 5.751 0.057 -4.377 1.00 0.38 C ATOM 2354 C ALA A 152 5.692 0.806 -3.053 1.00 0.40 C ATOM 2355 O ALA A 152 4.613 1.148 -2.572 1.00 0.63 O ATOM 2356 CB ALA A 152 5.816 1.039 -5.537 1.00 0.40 C ATOM 0 H ALA A 152 3.704 -0.379 -4.385 1.00 0.38 H new ATOM 0 HA ALA A 152 6.654 -0.553 -4.381 1.00 0.38 H new ATOM 0 HB1 ALA A 152 6.677 1.695 -5.410 1.00 0.40 H new ATOM 0 HB2 ALA A 152 5.913 0.490 -6.474 1.00 0.40 H new ATOM 0 HB3 ALA A 152 4.905 1.636 -5.559 1.00 0.40 H new ATOM 2362 N MET A 153 6.852 1.062 -2.469 1.00 0.32 N ATOM 2363 CA MET A 153 6.923 1.776 -1.206 1.00 0.31 C ATOM 2364 C MET A 153 7.984 2.862 -1.282 1.00 0.31 C ATOM 2365 O MET A 153 9.103 2.617 -1.736 1.00 0.34 O ATOM 2366 CB MET A 153 7.233 0.809 -0.063 1.00 0.34 C ATOM 2367 CG MET A 153 7.042 1.417 1.320 1.00 0.35 C ATOM 2368 SD MET A 153 7.315 0.230 2.650 1.00 0.38 S ATOM 2369 CE MET A 153 5.830 -0.768 2.537 1.00 0.42 C ATOM 0 H MET A 153 7.757 0.786 -2.850 1.00 0.32 H new ATOM 0 HA MET A 153 5.957 2.241 -1.011 1.00 0.31 H new ATOM 0 HB2 MET A 153 6.592 -0.068 -0.157 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.262 0.464 -0.160 1.00 0.34 H new ATOM 0 HG2 MET A 153 7.728 2.255 1.441 1.00 0.35 H new ATOM 0 HG3 MET A 153 6.032 1.818 1.399 1.00 0.35 H new ATOM 0 HE1 MET A 153 5.741 -1.390 3.428 1.00 0.42 H new ATOM 0 HE2 MET A 153 4.959 -0.117 2.461 1.00 0.42 H new ATOM 0 HE3 MET A 153 5.886 -1.405 1.654 1.00 0.42 H new ATOM 2379 N PHE A 154 7.621 4.060 -0.858 1.00 0.33 N ATOM 2380 CA PHE A 154 8.528 5.197 -0.876 1.00 0.36 C ATOM 2381 C PHE A 154 8.683 5.772 0.522 1.00 0.38 C ATOM 2382 O PHE A 154 7.701 5.907 1.254 1.00 0.43 O ATOM 2383 CB PHE A 154 8.005 6.276 -1.827 1.00 0.39 C ATOM 2384 CG PHE A 154 7.788 5.793 -3.230 1.00 0.39 C ATOM 2385 CD1 PHE A 154 8.862 5.593 -4.080 1.00 0.45 C ATOM 2386 CD2 PHE A 154 6.510 5.537 -3.696 1.00 0.48 C ATOM 2387 CE1 PHE A 154 8.665 5.146 -5.371 1.00 0.48 C ATOM 2388 CE2 PHE A 154 6.307 5.089 -4.988 1.00 0.52 C ATOM 2389 CZ PHE A 154 7.387 4.893 -5.825 1.00 0.48 C ATOM 0 H PHE A 154 6.693 4.273 -0.493 1.00 0.33 H new ATOM 0 HA PHE A 154 9.502 4.856 -1.227 1.00 0.36 H new ATOM 0 HB2 PHE A 154 7.065 6.666 -1.437 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.711 7.106 -1.844 1.00 0.39 H new ATOM 0 HD1 PHE A 154 9.865 5.789 -3.729 1.00 0.45 H new ATOM 0 HD2 PHE A 154 5.663 5.689 -3.044 1.00 0.48 H new ATOM 0 HE1 PHE A 154 9.511 4.994 -6.025 1.00 0.48 H new ATOM 0 HE2 PHE A 154 5.306 4.893 -5.342 1.00 0.52 H new ATOM 0 HZ PHE A 154 7.232 4.542 -6.834 1.00 0.48 H new ATOM 2399 N VAL A 155 9.911 6.110 0.884 1.00 0.40 N ATOM 2400 CA VAL A 155 10.193 6.669 2.199 1.00 0.43 C ATOM 2401 C VAL A 155 10.518 8.156 2.100 1.00 0.46 C ATOM 2402 O VAL A 155 11.425 8.559 1.363 1.00 0.48 O ATOM 2403 CB VAL A 155 11.359 5.934 2.893 1.00 0.47 C ATOM 2404 CG1 VAL A 155 11.609 6.496 4.285 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.073 4.443 2.964 1.00 0.47 C ATOM 0 H VAL A 155 10.730 6.007 0.285 1.00 0.40 H new ATOM 0 HA VAL A 155 9.294 6.536 2.800 1.00 0.43 H new ATOM 0 HB VAL A 155 12.261 6.091 2.301 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.436 5.960 4.751 1.00 0.55 H new ATOM 0 HG12 VAL A 155 11.859 7.554 4.211 1.00 0.55 H new ATOM 0 HG13 VAL A 155 10.711 6.377 4.892 1.00 0.55 H new ATOM 0 HG21 VAL A 155 11.903 3.936 3.456 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.158 4.275 3.532 1.00 0.47 H new ATOM 0 HG23 VAL A 155 10.952 4.047 1.956 1.00 0.47 H new ATOM 2415 N ASN A 156 9.736 8.958 2.823 1.00 0.49 N ATOM 2416 CA ASN A 156 9.891 10.417 2.868 1.00 0.55 C ATOM 2417 C ASN A 156 9.686 11.062 1.497 1.00 0.54 C ATOM 2418 O ASN A 156 9.955 12.252 1.317 1.00 0.58 O ATOM 2419 CB ASN A 156 11.263 10.800 3.436 1.00 0.61 C ATOM 2420 CG ASN A 156 11.193 11.173 4.906 1.00 0.86 C ATOM 2421 OD1 ASN A 156 10.217 11.773 5.359 1.00 1.16 O ATOM 2422 ND2 ASN A 156 12.222 10.817 5.659 1.00 1.01 N ATOM 0 H ASN A 156 8.969 8.613 3.400 1.00 0.49 H new ATOM 0 HA ASN A 156 9.113 10.800 3.529 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.953 9.966 3.307 1.00 0.61 H new ATOM 0 HB3 ASN A 156 11.667 11.639 2.869 1.00 0.61 H new ATOM 0 HD21 ASN A 156 12.226 11.039 6.655 1.00 1.01 H new ATOM 0 HD22 ASN A 156 13.011 10.321 5.244 1.00 1.01 H new ATOM 2429 N GLY A 157 9.190 10.279 0.543 1.00 0.51 N ATOM 2430 CA GLY A 157 8.964 10.780 -0.801 1.00 0.52 C ATOM 2431 C GLY A 157 10.258 11.073 -1.530 1.00 0.53 C ATOM 2432 O GLY A 157 10.271 11.817 -2.510 1.00 0.56 O ATOM 0 H GLY A 157 8.939 9.300 0.679 1.00 0.51 H new ATOM 0 HA2 GLY A 157 8.388 10.048 -1.367 1.00 0.52 H new ATOM 0 HA3 GLY A 157 8.364 11.688 -0.752 1.00 0.52 H new ATOM 2436 N LYS A 158 11.350 10.486 -1.055 1.00 0.52 N ATOM 2437 CA LYS A 158 12.659 10.706 -1.662 1.00 0.55 C ATOM 2438 C LYS A 158 13.357 9.385 -1.960 1.00 0.53 C ATOM 2439 O LYS A 158 13.979 9.221 -3.009 1.00 0.58 O ATOM 2440 CB LYS A 158 13.545 11.546 -0.731 1.00 0.61 C ATOM 2441 CG LYS A 158 12.972 12.909 -0.389 1.00 0.75 C ATOM 2442 CD LYS A 158 13.738 13.566 0.750 1.00 0.96 C ATOM 2443 CE LYS A 158 15.180 13.867 0.363 1.00 1.30 C ATOM 2444 NZ LYS A 158 15.270 14.787 -0.803 1.00 1.75 N1+ ATOM 0 H LYS A 158 11.356 9.855 -0.253 1.00 0.52 H new ATOM 0 HA LYS A 158 12.502 11.240 -2.599 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.710 10.992 0.193 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.520 11.681 -1.200 1.00 0.61 H new ATOM 0 HG2 LYS A 158 13.006 13.551 -1.270 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.923 12.805 -0.111 1.00 0.75 H new ATOM 0 HD2 LYS A 158 13.238 14.491 1.038 1.00 0.96 H new ATOM 0 HD3 LYS A 158 13.725 12.912 1.622 1.00 0.96 H new ATOM 0 HE2 LYS A 158 15.698 14.310 1.214 1.00 1.30 H new ATOM 0 HE3 LYS A 158 15.693 12.935 0.128 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 16.245 15.137 -0.894 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 15.003 14.277 -1.669 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 14.625 15.591 -0.662 1.00 1.75 H new ATOM 2458 N TYR A 159 13.249 8.447 -1.034 1.00 0.50 N ATOM 2459 CA TYR A 159 13.899 7.154 -1.191 1.00 0.49 C ATOM 2460 C TYR A 159 12.940 6.109 -1.745 1.00 0.44 C ATOM 2461 O TYR A 159 11.881 5.851 -1.168 1.00 0.45 O ATOM 2462 CB TYR A 159 14.464 6.681 0.147 1.00 0.53 C ATOM 2463 CG TYR A 159 15.318 7.711 0.855 1.00 0.63 C ATOM 2464 CD1 TYR A 159 16.623 7.958 0.446 1.00 0.75 C ATOM 2465 CD2 TYR A 159 14.818 8.441 1.928 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.403 8.907 1.085 1.00 0.92 C ATOM 2467 CE2 TYR A 159 15.594 9.390 2.569 1.00 0.89 C ATOM 2468 CZ TYR A 159 16.883 9.618 2.144 1.00 0.96 C ATOM 2469 OH TYR A 159 17.654 10.567 2.776 1.00 1.16 O ATOM 0 H TYR A 159 12.720 8.554 -0.169 1.00 0.50 H new ATOM 0 HA TYR A 159 14.713 7.278 -1.905 1.00 0.49 H new ATOM 0 HB2 TYR A 159 13.637 6.399 0.799 1.00 0.53 H new ATOM 0 HB3 TYR A 159 15.059 5.783 -0.019 1.00 0.53 H new ATOM 0 HD1 TYR A 159 17.035 7.401 -0.383 1.00 0.75 H new ATOM 0 HD2 TYR A 159 13.808 8.264 2.266 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.415 9.089 0.754 1.00 0.92 H new ATOM 0 HE2 TYR A 159 15.190 9.950 3.400 1.00 0.89 H new ATOM 0 HH TYR A 159 17.138 10.978 3.501 1.00 1.16 H new ATOM 2479 N GLN A 160 13.328 5.506 -2.860 1.00 0.43 N ATOM 2480 CA GLN A 160 12.530 4.479 -3.507 1.00 0.40 C ATOM 2481 C GLN A 160 13.197 3.128 -3.310 1.00 0.40 C ATOM 2482 O GLN A 160 14.361 2.949 -3.662 1.00 0.46 O ATOM 2483 CB GLN A 160 12.381 4.782 -5.002 1.00 0.44 C ATOM 2484 CG GLN A 160 11.889 3.597 -5.825 1.00 0.48 C ATOM 2485 CD GLN A 160 11.632 3.958 -7.277 1.00 0.72 C ATOM 2486 OE1 GLN A 160 12.240 4.878 -7.821 1.00 0.98 O ATOM 2487 NE2 GLN A 160 10.740 3.222 -7.921 1.00 0.91 N ATOM 0 H GLN A 160 14.204 5.716 -3.339 1.00 0.43 H new ATOM 0 HA GLN A 160 11.536 4.462 -3.060 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.686 5.613 -5.127 1.00 0.44 H new ATOM 0 HB3 GLN A 160 13.344 5.110 -5.394 1.00 0.44 H new ATOM 0 HG2 GLN A 160 12.627 2.797 -5.779 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.971 3.209 -5.383 1.00 0.48 H new ATOM 0 HE21 GLN A 160 10.256 2.467 -7.435 1.00 0.91 H new ATOM 0 HE22 GLN A 160 10.537 3.410 -8.903 1.00 0.91 H new ATOM 2496 N LEU A 161 12.470 2.184 -2.748 1.00 0.39 N ATOM 2497 CA LEU A 161 13.021 0.859 -2.498 1.00 0.40 C ATOM 2498 C LEU A 161 13.084 0.039 -3.782 1.00 0.37 C ATOM 2499 O LEU A 161 12.198 0.136 -4.635 1.00 0.37 O ATOM 2500 CB LEU A 161 12.197 0.123 -1.439 1.00 0.45 C ATOM 2501 CG LEU A 161 12.436 0.586 0.003 1.00 0.51 C ATOM 2502 CD1 LEU A 161 11.645 1.845 0.311 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.077 -0.516 0.984 1.00 1.20 C ATOM 0 H LEU A 161 11.500 2.304 -2.455 1.00 0.39 H new ATOM 0 HA LEU A 161 14.037 0.986 -2.125 1.00 0.40 H new ATOM 0 HB2 LEU A 161 11.139 0.245 -1.673 1.00 0.45 H new ATOM 0 HB3 LEU A 161 12.417 -0.942 -1.504 1.00 0.45 H new ATOM 0 HG LEU A 161 13.496 0.816 0.109 1.00 0.51 H new ATOM 0 HD11 LEU A 161 11.834 2.151 1.340 1.00 1.13 H new ATOM 0 HD12 LEU A 161 11.952 2.642 -0.366 1.00 1.13 H new ATOM 0 HD13 LEU A 161 10.581 1.647 0.180 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.253 -0.169 2.002 1.00 1.20 H new ATOM 0 HD22 LEU A 161 11.026 -0.779 0.867 1.00 1.20 H new ATOM 0 HD23 LEU A 161 12.694 -1.393 0.788 1.00 1.20 H new ATOM 2515 N ASN A 162 14.135 -0.767 -3.912 1.00 0.40 N ATOM 2516 CA ASN A 162 14.330 -1.609 -5.086 1.00 0.41 C ATOM 2517 C ASN A 162 14.362 -3.081 -4.680 1.00 0.41 C ATOM 2518 O ASN A 162 15.394 -3.603 -4.254 1.00 0.45 O ATOM 2519 CB ASN A 162 15.625 -1.231 -5.815 1.00 0.50 C ATOM 2520 CG ASN A 162 15.889 -2.102 -7.031 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.961 -2.591 -7.678 1.00 0.62 O ATOM 2522 ND2 ASN A 162 17.159 -2.313 -7.337 1.00 0.72 N ATOM 0 H ASN A 162 14.870 -0.854 -3.210 1.00 0.40 H new ATOM 0 HA ASN A 162 13.494 -1.449 -5.767 1.00 0.41 H new ATOM 0 HB2 ASN A 162 15.571 -0.188 -6.125 1.00 0.50 H new ATOM 0 HB3 ASN A 162 16.464 -1.315 -5.124 1.00 0.50 H new ATOM 0 HD21 ASN A 162 17.400 -2.900 -8.135 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.896 -1.889 -6.774 1.00 0.72 H new ATOM 2529 N PRO A 163 13.220 -3.769 -4.800 1.00 0.41 N ATOM 2530 CA PRO A 163 13.113 -5.187 -4.436 1.00 0.43 C ATOM 2531 C PRO A 163 13.894 -6.098 -5.379 1.00 0.45 C ATOM 2532 O PRO A 163 14.229 -7.230 -5.033 1.00 0.52 O ATOM 2533 CB PRO A 163 11.613 -5.464 -4.537 1.00 0.46 C ATOM 2534 CG PRO A 163 11.080 -4.431 -5.469 1.00 0.54 C ATOM 2535 CD PRO A 163 11.939 -3.214 -5.281 1.00 0.43 C ATOM 0 HA PRO A 163 13.533 -5.386 -3.450 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.424 -6.469 -4.915 1.00 0.46 H new ATOM 0 HB3 PRO A 163 11.135 -5.396 -3.560 1.00 0.46 H new ATOM 0 HG2 PRO A 163 11.120 -4.780 -6.501 1.00 0.54 H new ATOM 0 HG3 PRO A 163 10.036 -4.209 -5.248 1.00 0.54 H new ATOM 0 HD2 PRO A 163 12.065 -2.663 -6.213 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.504 -2.523 -4.559 1.00 0.43 H new ATOM 2543 N GLN A 164 14.203 -5.582 -6.561 1.00 0.48 N ATOM 2544 CA GLN A 164 14.933 -6.341 -7.571 1.00 0.53 C ATOM 2545 C GLN A 164 16.400 -6.512 -7.183 1.00 0.54 C ATOM 2546 O GLN A 164 17.074 -7.431 -7.649 1.00 0.68 O ATOM 2547 CB GLN A 164 14.822 -5.640 -8.927 1.00 0.62 C ATOM 2548 CG GLN A 164 13.408 -5.618 -9.492 1.00 0.86 C ATOM 2549 CD GLN A 164 13.145 -6.760 -10.458 1.00 1.41 C ATOM 2550 OE1 GLN A 164 13.360 -6.625 -11.660 1.00 2.22 O ATOM 2551 NE2 GLN A 164 12.672 -7.884 -9.944 1.00 1.82 N ATOM 0 H GLN A 164 13.958 -4.634 -6.847 1.00 0.48 H new ATOM 0 HA GLN A 164 14.488 -7.334 -7.640 1.00 0.53 H new ATOM 0 HB2 GLN A 164 15.179 -4.615 -8.826 1.00 0.62 H new ATOM 0 HB3 GLN A 164 15.480 -6.139 -9.639 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.692 -5.670 -8.671 1.00 0.86 H new ATOM 0 HG3 GLN A 164 13.240 -4.670 -10.002 1.00 0.86 H new ATOM 0 HE21 GLN A 164 12.507 -7.956 -8.940 1.00 1.82 H new ATOM 0 HE22 GLN A 164 12.472 -8.678 -10.552 1.00 1.82 H new ATOM 2560 N GLY A 165 16.884 -5.626 -6.320 1.00 0.51 N ATOM 2561 CA GLY A 165 18.265 -5.695 -5.887 1.00 0.54 C ATOM 2562 C GLY A 165 18.391 -6.206 -4.465 1.00 0.50 C ATOM 2563 O GLY A 165 19.403 -5.980 -3.799 1.00 0.59 O ATOM 0 H GLY A 165 16.344 -4.862 -5.913 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.823 -6.349 -6.558 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.717 -4.706 -5.958 1.00 0.54 H new ATOM 2567 N MET A 166 17.360 -6.899 -3.998 1.00 0.45 N ATOM 2568 CA MET A 166 17.356 -7.445 -2.646 1.00 0.45 C ATOM 2569 C MET A 166 17.557 -8.955 -2.682 1.00 0.48 C ATOM 2570 O MET A 166 17.976 -9.503 -3.703 1.00 0.57 O ATOM 2571 CB MET A 166 16.055 -7.090 -1.922 1.00 0.43 C ATOM 2572 CG MET A 166 15.914 -5.606 -1.632 1.00 0.43 C ATOM 2573 SD MET A 166 14.608 -5.247 -0.446 1.00 0.48 S ATOM 2574 CE MET A 166 14.806 -3.477 -0.251 1.00 0.49 C ATOM 0 H MET A 166 16.516 -7.096 -4.535 1.00 0.45 H new ATOM 0 HA MET A 166 18.183 -7.000 -2.093 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.210 -7.417 -2.528 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.007 -7.643 -0.984 1.00 0.43 H new ATOM 0 HG2 MET A 166 16.861 -5.224 -1.250 1.00 0.43 H new ATOM 0 HG3 MET A 166 15.709 -5.077 -2.562 1.00 0.43 H new ATOM 0 HE1 MET A 166 14.011 -3.090 0.386 1.00 0.49 H new ATOM 0 HE2 MET A 166 15.773 -3.267 0.207 1.00 0.49 H new ATOM 0 HE3 MET A 166 14.755 -2.995 -1.227 1.00 0.49 H new ATOM 2584 N ASP A 167 17.262 -9.625 -1.573 1.00 0.55 N ATOM 2585 CA ASP A 167 17.431 -11.069 -1.494 1.00 0.62 C ATOM 2586 C ASP A 167 16.408 -11.787 -2.355 1.00 0.62 C ATOM 2587 O ASP A 167 15.220 -11.470 -2.327 1.00 0.79 O ATOM 2588 CB ASP A 167 17.316 -11.564 -0.048 1.00 0.80 C ATOM 2589 CG ASP A 167 17.920 -12.947 0.129 1.00 0.94 C ATOM 2590 OD1 ASP A 167 17.263 -13.953 -0.226 1.00 1.54 O1- ATOM 2591 OD2 ASP A 167 19.073 -13.033 0.603 1.00 1.38 O ATOM 0 H ASP A 167 16.906 -9.192 -0.721 1.00 0.55 H new ATOM 0 HA ASP A 167 18.430 -11.295 -1.866 1.00 0.62 H new ATOM 0 HB2 ASP A 167 17.818 -10.861 0.617 1.00 0.80 H new ATOM 0 HB3 ASP A 167 16.266 -11.586 0.245 1.00 0.80 H new ATOM 2596 N THR A 168 16.881 -12.740 -3.136 1.00 0.67 N ATOM 2597 CA THR A 168 16.015 -13.519 -4.000 1.00 0.79 C ATOM 2598 C THR A 168 16.257 -15.010 -3.763 1.00 0.86 C ATOM 2599 O THR A 168 15.932 -15.848 -4.602 1.00 1.04 O ATOM 2600 CB THR A 168 16.255 -13.176 -5.485 1.00 0.92 C ATOM 2601 OG1 THR A 168 16.822 -11.859 -5.592 1.00 1.03 O ATOM 2602 CG2 THR A 168 14.955 -13.230 -6.276 1.00 1.16 C ATOM 0 H THR A 168 17.867 -12.994 -3.189 1.00 0.67 H new ATOM 0 HA THR A 168 14.980 -13.274 -3.760 1.00 0.79 H new ATOM 0 HB THR A 168 16.944 -13.913 -5.898 1.00 0.92 H new ATOM 0 HG1 THR A 168 16.975 -11.644 -6.536 1.00 1.03 H new ATOM 0 HG21 THR A 168 15.153 -12.984 -7.319 1.00 1.16 H new ATOM 0 HG22 THR A 168 14.533 -14.233 -6.214 1.00 1.16 H new ATOM 0 HG23 THR A 168 14.247 -12.512 -5.862 1.00 1.16 H new ATOM 2610 N SER A 169 16.822 -15.331 -2.604 1.00 0.82 N ATOM 2611 CA SER A 169 17.122 -16.712 -2.254 1.00 0.89 C ATOM 2612 C SER A 169 16.173 -17.218 -1.175 1.00 0.80 C ATOM 2613 O SER A 169 15.676 -18.344 -1.246 1.00 0.93 O ATOM 2614 CB SER A 169 18.575 -16.824 -1.780 1.00 1.01 C ATOM 2615 OG SER A 169 19.081 -15.558 -1.373 1.00 1.53 O ATOM 0 H SER A 169 17.082 -14.650 -1.890 1.00 0.82 H new ATOM 0 HA SER A 169 16.986 -17.332 -3.140 1.00 0.89 H new ATOM 0 HB2 SER A 169 18.637 -17.527 -0.950 1.00 1.01 H new ATOM 0 HB3 SER A 169 19.193 -17.225 -2.584 1.00 1.01 H new ATOM 0 HG SER A 169 18.500 -15.181 -0.680 1.00 1.53 H new ATOM 2621 N ASN A 170 15.906 -16.373 -0.190 1.00 0.68 N ATOM 2622 CA ASN A 170 15.031 -16.741 0.916 1.00 0.69 C ATOM 2623 C ASN A 170 13.928 -15.706 1.079 1.00 0.63 C ATOM 2624 O ASN A 170 14.203 -14.511 1.215 1.00 0.60 O ATOM 2625 CB ASN A 170 15.849 -16.865 2.206 1.00 0.80 C ATOM 2626 CG ASN A 170 15.097 -17.539 3.344 1.00 0.91 C ATOM 2627 OD1 ASN A 170 13.876 -17.440 3.458 1.00 1.21 O ATOM 2628 ND2 ASN A 170 15.831 -18.229 4.203 1.00 1.14 N ATOM 0 H ASN A 170 16.283 -15.427 -0.133 1.00 0.68 H new ATOM 0 HA ASN A 170 14.568 -17.704 0.701 1.00 0.69 H new ATOM 0 HB2 ASN A 170 16.757 -17.430 1.997 1.00 0.80 H new ATOM 0 HB3 ASN A 170 16.159 -15.870 2.526 1.00 0.80 H new ATOM 0 HD21 ASN A 170 15.386 -18.700 4.991 1.00 1.14 H new ATOM 0 HD22 ASN A 170 16.841 -18.289 4.077 1.00 1.14 H new ATOM 2635 N MET A 171 12.683 -16.177 1.081 1.00 0.67 N ATOM 2636 CA MET A 171 11.522 -15.299 1.210 1.00 0.66 C ATOM 2637 C MET A 171 11.563 -14.547 2.538 1.00 0.59 C ATOM 2638 O MET A 171 11.327 -13.340 2.589 1.00 0.55 O ATOM 2639 CB MET A 171 10.210 -16.098 1.119 1.00 0.78 C ATOM 2640 CG MET A 171 10.159 -17.085 -0.035 1.00 0.95 C ATOM 2641 SD MET A 171 10.029 -16.280 -1.640 1.00 1.54 S ATOM 2642 CE MET A 171 9.746 -17.701 -2.692 1.00 1.96 C ATOM 0 H MET A 171 12.452 -17.167 0.994 1.00 0.67 H new ATOM 0 HA MET A 171 11.558 -14.585 0.388 1.00 0.66 H new ATOM 0 HB2 MET A 171 10.063 -16.641 2.053 1.00 0.78 H new ATOM 0 HB3 MET A 171 9.379 -15.400 1.022 1.00 0.78 H new ATOM 0 HG2 MET A 171 11.056 -17.705 -0.016 1.00 0.95 H new ATOM 0 HG3 MET A 171 9.308 -17.752 0.101 1.00 0.95 H new ATOM 0 HE1 MET A 171 9.607 -17.370 -3.721 1.00 1.96 H new ATOM 0 HE2 MET A 171 10.605 -18.370 -2.638 1.00 1.96 H new ATOM 0 HE3 MET A 171 8.853 -18.229 -2.358 1.00 1.96 H new ATOM 2652 N ASP A 172 11.887 -15.276 3.607 1.00 0.63 N ATOM 2653 CA ASP A 172 11.951 -14.699 4.951 1.00 0.62 C ATOM 2654 C ASP A 172 12.954 -13.556 5.012 1.00 0.54 C ATOM 2655 O ASP A 172 12.662 -12.495 5.558 1.00 0.57 O ATOM 2656 CB ASP A 172 12.327 -15.769 5.981 1.00 0.70 C ATOM 2657 CG ASP A 172 12.450 -15.207 7.384 1.00 1.26 C ATOM 2658 OD1 ASP A 172 11.408 -14.893 7.997 1.00 2.05 O1- ATOM 2659 OD2 ASP A 172 13.590 -15.078 7.882 1.00 1.82 O ATOM 0 H ASP A 172 12.110 -16.271 3.568 1.00 0.63 H new ATOM 0 HA ASP A 172 10.962 -14.307 5.187 1.00 0.62 H new ATOM 0 HB2 ASP A 172 11.574 -16.557 5.973 1.00 0.70 H new ATOM 0 HB3 ASP A 172 13.272 -16.229 5.693 1.00 0.70 H new ATOM 2664 N VAL A 173 14.129 -13.772 4.431 1.00 0.51 N ATOM 2665 CA VAL A 173 15.181 -12.759 4.430 1.00 0.49 C ATOM 2666 C VAL A 173 14.729 -11.511 3.673 1.00 0.42 C ATOM 2667 O VAL A 173 14.930 -10.388 4.139 1.00 0.43 O ATOM 2668 CB VAL A 173 16.492 -13.294 3.815 1.00 0.55 C ATOM 2669 CG1 VAL A 173 17.550 -12.199 3.748 1.00 0.58 C ATOM 2670 CG2 VAL A 173 17.010 -14.478 4.615 1.00 0.65 C ATOM 0 H VAL A 173 14.378 -14.639 3.955 1.00 0.51 H new ATOM 0 HA VAL A 173 15.375 -12.499 5.470 1.00 0.49 H new ATOM 0 HB VAL A 173 16.278 -13.624 2.799 1.00 0.55 H new ATOM 0 HG11 VAL A 173 18.464 -12.602 3.311 1.00 0.58 H new ATOM 0 HG12 VAL A 173 17.185 -11.377 3.132 1.00 0.58 H new ATOM 0 HG13 VAL A 173 17.759 -11.833 4.753 1.00 0.58 H new ATOM 0 HG21 VAL A 173 17.935 -14.843 4.168 1.00 0.65 H new ATOM 0 HG22 VAL A 173 17.202 -14.167 5.642 1.00 0.65 H new ATOM 0 HG23 VAL A 173 16.266 -15.274 4.610 1.00 0.65 H new ATOM 2680 N PHE A 174 14.097 -11.719 2.517 1.00 0.42 N ATOM 2681 CA PHE A 174 13.602 -10.617 1.693 1.00 0.38 C ATOM 2682 C PHE A 174 12.636 -9.742 2.487 1.00 0.35 C ATOM 2683 O PHE A 174 12.737 -8.514 2.465 1.00 0.35 O ATOM 2684 CB PHE A 174 12.914 -11.156 0.429 1.00 0.41 C ATOM 2685 CG PHE A 174 12.314 -10.085 -0.442 1.00 0.39 C ATOM 2686 CD1 PHE A 174 13.126 -9.196 -1.127 1.00 0.42 C ATOM 2687 CD2 PHE A 174 10.940 -9.969 -0.571 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.575 -8.213 -1.928 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.385 -8.990 -1.368 1.00 0.47 C ATOM 2690 CZ PHE A 174 11.203 -8.109 -2.047 1.00 0.45 C ATOM 0 H PHE A 174 13.916 -12.645 2.130 1.00 0.42 H new ATOM 0 HA PHE A 174 14.454 -10.007 1.393 1.00 0.38 H new ATOM 0 HB2 PHE A 174 13.640 -11.721 -0.155 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.130 -11.853 0.723 1.00 0.41 H new ATOM 0 HD1 PHE A 174 14.199 -9.271 -1.035 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.295 -10.654 -0.041 1.00 0.44 H new ATOM 0 HE1 PHE A 174 13.217 -7.527 -2.460 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.312 -8.913 -1.461 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.771 -7.340 -2.670 1.00 0.45 H new ATOM 2700 N VAL A 175 11.710 -10.380 3.196 1.00 0.37 N ATOM 2701 CA VAL A 175 10.727 -9.661 4.000 1.00 0.37 C ATOM 2702 C VAL A 175 11.413 -8.787 5.047 1.00 0.35 C ATOM 2703 O VAL A 175 11.090 -7.607 5.193 1.00 0.36 O ATOM 2704 CB VAL A 175 9.756 -10.630 4.711 1.00 0.41 C ATOM 2705 CG1 VAL A 175 8.767 -9.874 5.587 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.024 -11.495 3.697 1.00 0.45 C ATOM 0 H VAL A 175 11.620 -11.395 3.230 1.00 0.37 H new ATOM 0 HA VAL A 175 10.158 -9.031 3.316 1.00 0.37 H new ATOM 0 HB VAL A 175 10.345 -11.280 5.357 1.00 0.41 H new ATOM 0 HG11 VAL A 175 8.097 -10.582 6.074 1.00 0.48 H new ATOM 0 HG12 VAL A 175 9.310 -9.309 6.344 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.185 -9.189 4.971 1.00 0.48 H new ATOM 0 HG21 VAL A 175 8.345 -12.170 4.218 1.00 0.45 H new ATOM 0 HG22 VAL A 175 8.454 -10.859 3.020 1.00 0.45 H new ATOM 0 HG23 VAL A 175 9.747 -12.077 3.126 1.00 0.45 H new ATOM 2716 N GLN A 176 12.378 -9.366 5.758 1.00 0.37 N ATOM 2717 CA GLN A 176 13.096 -8.632 6.796 1.00 0.39 C ATOM 2718 C GLN A 176 13.902 -7.494 6.192 1.00 0.38 C ATOM 2719 O GLN A 176 13.829 -6.361 6.661 1.00 0.40 O ATOM 2720 CB GLN A 176 14.031 -9.553 7.582 1.00 0.44 C ATOM 2721 CG GLN A 176 13.384 -10.848 8.027 1.00 0.64 C ATOM 2722 CD GLN A 176 12.126 -10.639 8.843 1.00 0.81 C ATOM 2723 OE1 GLN A 176 11.982 -9.642 9.558 1.00 1.70 O ATOM 2724 NE2 GLN A 176 11.206 -11.581 8.732 1.00 1.11 N ATOM 0 H GLN A 176 12.679 -10.333 5.636 1.00 0.37 H new ATOM 0 HA GLN A 176 12.350 -8.224 7.478 1.00 0.39 H new ATOM 0 HB2 GLN A 176 14.899 -9.785 6.965 1.00 0.44 H new ATOM 0 HB3 GLN A 176 14.397 -9.020 8.460 1.00 0.44 H new ATOM 0 HG2 GLN A 176 13.144 -11.447 7.148 1.00 0.64 H new ATOM 0 HG3 GLN A 176 14.100 -11.420 8.616 1.00 0.64 H new ATOM 0 HE21 GLN A 176 11.371 -12.386 8.128 1.00 1.11 H new ATOM 0 HE22 GLN A 176 10.331 -11.503 9.250 1.00 1.11 H new ATOM 2733 N GLN A 177 14.657 -7.809 5.145 1.00 0.37 N ATOM 2734 CA GLN A 177 15.499 -6.828 4.469 1.00 0.39 C ATOM 2735 C GLN A 177 14.681 -5.655 3.938 1.00 0.37 C ATOM 2736 O GLN A 177 15.060 -4.499 4.119 1.00 0.39 O ATOM 2737 CB GLN A 177 16.262 -7.496 3.320 1.00 0.42 C ATOM 2738 CG GLN A 177 17.367 -6.631 2.738 1.00 0.56 C ATOM 2739 CD GLN A 177 17.960 -7.207 1.468 1.00 0.58 C ATOM 2740 OE1 GLN A 177 17.958 -8.418 1.257 1.00 1.02 O ATOM 2741 NE2 GLN A 177 18.478 -6.343 0.612 1.00 1.32 N ATOM 0 H GLN A 177 14.703 -8.745 4.743 1.00 0.37 H new ATOM 0 HA GLN A 177 16.208 -6.437 5.199 1.00 0.39 H new ATOM 0 HB2 GLN A 177 16.694 -8.431 3.677 1.00 0.42 H new ATOM 0 HB3 GLN A 177 15.558 -7.752 2.528 1.00 0.42 H new ATOM 0 HG2 GLN A 177 16.972 -5.637 2.530 1.00 0.56 H new ATOM 0 HG3 GLN A 177 18.157 -6.511 3.480 1.00 0.56 H new ATOM 0 HE21 GLN A 177 18.461 -5.345 0.822 1.00 1.32 H new ATOM 0 HE22 GLN A 177 18.894 -6.674 -0.258 1.00 1.32 H new ATOM 2750 N TYR A 178 13.558 -5.957 3.293 1.00 0.36 N ATOM 2751 CA TYR A 178 12.695 -4.920 2.732 1.00 0.36 C ATOM 2752 C TYR A 178 12.186 -3.983 3.823 1.00 0.36 C ATOM 2753 O TYR A 178 12.295 -2.762 3.705 1.00 0.39 O ATOM 2754 CB TYR A 178 11.513 -5.547 1.985 1.00 0.37 C ATOM 2755 CG TYR A 178 10.805 -4.582 1.059 1.00 0.36 C ATOM 2756 CD1 TYR A 178 11.273 -4.363 -0.231 1.00 0.44 C ATOM 2757 CD2 TYR A 178 9.678 -3.887 1.476 1.00 0.40 C ATOM 2758 CE1 TYR A 178 10.634 -3.480 -1.081 1.00 0.46 C ATOM 2759 CE2 TYR A 178 9.034 -3.002 0.634 1.00 0.42 C ATOM 2760 CZ TYR A 178 9.516 -2.802 -0.645 1.00 0.40 C ATOM 2761 OH TYR A 178 8.883 -1.915 -1.485 1.00 0.45 O ATOM 0 H TYR A 178 13.224 -6.909 3.145 1.00 0.36 H new ATOM 0 HA TYR A 178 13.288 -4.338 2.027 1.00 0.36 H new ATOM 0 HB2 TYR A 178 11.870 -6.399 1.406 1.00 0.37 H new ATOM 0 HB3 TYR A 178 10.798 -5.933 2.711 1.00 0.37 H new ATOM 0 HD1 TYR A 178 12.150 -4.891 -0.575 1.00 0.44 H new ATOM 0 HD2 TYR A 178 9.299 -4.041 2.475 1.00 0.40 H new ATOM 0 HE1 TYR A 178 11.009 -3.322 -2.082 1.00 0.46 H new ATOM 0 HE2 TYR A 178 8.158 -2.469 0.974 1.00 0.42 H new ATOM 0 HH TYR A 178 7.997 -1.700 -1.126 1.00 0.45 H new ATOM 2771 N ALA A 179 11.642 -4.558 4.888 1.00 0.35 N ATOM 2772 CA ALA A 179 11.112 -3.771 5.996 1.00 0.37 C ATOM 2773 C ALA A 179 12.226 -3.012 6.714 1.00 0.39 C ATOM 2774 O ALA A 179 12.044 -1.863 7.131 1.00 0.43 O ATOM 2775 CB ALA A 179 10.359 -4.671 6.963 1.00 0.39 C ATOM 0 H ALA A 179 11.556 -5.567 5.009 1.00 0.35 H new ATOM 0 HA ALA A 179 10.418 -3.034 5.593 1.00 0.37 H new ATOM 0 HB1 ALA A 179 9.968 -4.074 7.786 1.00 0.39 H new ATOM 0 HB2 ALA A 179 9.533 -5.155 6.441 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.036 -5.430 7.355 1.00 0.39 H new ATOM 2781 N ASP A 180 13.383 -3.654 6.847 1.00 0.39 N ATOM 2782 CA ASP A 180 14.533 -3.040 7.505 1.00 0.44 C ATOM 2783 C ASP A 180 15.010 -1.836 6.704 1.00 0.44 C ATOM 2784 O ASP A 180 15.406 -0.818 7.272 1.00 0.49 O ATOM 2785 CB ASP A 180 15.664 -4.056 7.654 1.00 0.48 C ATOM 2786 CG ASP A 180 16.795 -3.552 8.530 1.00 0.80 C ATOM 2787 OD1 ASP A 180 16.578 -3.384 9.754 1.00 1.40 O1- ATOM 2788 OD2 ASP A 180 17.912 -3.345 8.002 1.00 1.55 O ATOM 0 H ASP A 180 13.550 -4.601 6.507 1.00 0.39 H new ATOM 0 HA ASP A 180 14.232 -2.707 8.498 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.265 -4.977 8.078 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.057 -4.303 6.668 1.00 0.48 H new ATOM 2793 N THR A 181 14.960 -1.959 5.376 1.00 0.42 N ATOM 2794 CA THR A 181 15.356 -0.875 4.485 1.00 0.43 C ATOM 2795 C THR A 181 14.488 0.357 4.734 1.00 0.42 C ATOM 2796 O THR A 181 14.983 1.486 4.756 1.00 0.45 O ATOM 2797 CB THR A 181 15.241 -1.284 2.998 1.00 0.44 C ATOM 2798 OG1 THR A 181 16.009 -2.464 2.749 1.00 0.47 O ATOM 2799 CG2 THR A 181 15.736 -0.171 2.085 1.00 0.48 C ATOM 0 H THR A 181 14.648 -2.803 4.896 1.00 0.42 H new ATOM 0 HA THR A 181 16.400 -0.645 4.699 1.00 0.43 H new ATOM 0 HB THR A 181 14.189 -1.475 2.787 1.00 0.44 H new ATOM 0 HG1 THR A 181 16.877 -2.390 3.198 1.00 0.47 H new ATOM 0 HG21 THR A 181 15.644 -0.485 1.045 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.138 0.726 2.247 1.00 0.48 H new ATOM 0 HG23 THR A 181 16.781 0.045 2.308 1.00 0.48 H new ATOM 2807 N VAL A 182 13.193 0.122 4.945 1.00 0.40 N ATOM 2808 CA VAL A 182 12.246 1.203 5.205 1.00 0.40 C ATOM 2809 C VAL A 182 12.642 1.955 6.467 1.00 0.44 C ATOM 2810 O VAL A 182 12.758 3.181 6.459 1.00 0.48 O ATOM 2811 CB VAL A 182 10.798 0.680 5.363 1.00 0.40 C ATOM 2812 CG1 VAL A 182 9.818 1.834 5.525 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.411 -0.186 4.177 1.00 0.39 C ATOM 0 H VAL A 182 12.777 -0.809 4.941 1.00 0.40 H new ATOM 0 HA VAL A 182 12.277 1.870 4.344 1.00 0.40 H new ATOM 0 HB VAL A 182 10.755 0.070 6.265 1.00 0.40 H new ATOM 0 HG11 VAL A 182 8.807 1.441 5.634 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.080 2.412 6.411 1.00 0.43 H new ATOM 0 HG13 VAL A 182 9.864 2.477 4.646 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.390 -0.544 4.306 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.476 0.401 3.261 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.089 -1.037 4.111 1.00 0.39 H new ATOM 2823 N LYS A 183 12.856 1.208 7.547 1.00 0.44 N ATOM 2824 CA LYS A 183 13.256 1.792 8.824 1.00 0.50 C ATOM 2825 C LYS A 183 14.584 2.532 8.682 1.00 0.53 C ATOM 2826 O LYS A 183 14.744 3.649 9.177 1.00 0.60 O ATOM 2827 CB LYS A 183 13.382 0.702 9.892 1.00 0.53 C ATOM 2828 CG LYS A 183 13.949 1.207 11.209 1.00 0.60 C ATOM 2829 CD LYS A 183 14.446 0.068 12.085 1.00 0.75 C ATOM 2830 CE LYS A 183 15.463 0.561 13.100 1.00 0.93 C ATOM 2831 NZ LYS A 183 15.936 -0.530 13.990 1.00 1.59 N1+ ATOM 0 H LYS A 183 12.759 0.193 7.563 1.00 0.44 H new ATOM 0 HA LYS A 183 12.488 2.502 9.130 1.00 0.50 H new ATOM 0 HB2 LYS A 183 12.400 0.265 10.072 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.021 -0.096 9.512 1.00 0.53 H new ATOM 0 HG2 LYS A 183 14.769 1.897 11.011 1.00 0.60 H new ATOM 0 HG3 LYS A 183 13.182 1.768 11.743 1.00 0.60 H new ATOM 0 HD2 LYS A 183 13.604 -0.390 12.603 1.00 0.75 H new ATOM 0 HD3 LYS A 183 14.895 -0.705 11.461 1.00 0.75 H new ATOM 0 HE2 LYS A 183 16.314 0.997 12.577 1.00 0.93 H new ATOM 0 HE3 LYS A 183 15.019 1.353 13.703 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 16.628 -0.150 14.667 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 15.128 -0.930 14.509 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 16.383 -1.275 13.418 1.00 1.59 H new ATOM 2845 N TYR A 184 15.524 1.893 7.995 1.00 0.52 N ATOM 2846 CA TYR A 184 16.845 2.457 7.759 1.00 0.57 C ATOM 2847 C TYR A 184 16.747 3.801 7.040 1.00 0.58 C ATOM 2848 O TYR A 184 17.407 4.765 7.418 1.00 0.65 O ATOM 2849 CB TYR A 184 17.675 1.458 6.939 1.00 0.60 C ATOM 2850 CG TYR A 184 18.914 2.041 6.299 1.00 0.70 C ATOM 2851 CD1 TYR A 184 20.059 2.281 7.045 1.00 0.84 C ATOM 2852 CD2 TYR A 184 18.942 2.339 4.943 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.195 2.806 6.461 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.072 2.865 4.352 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.198 3.095 5.113 1.00 0.99 C ATOM 2856 OH TYR A 184 22.331 3.615 4.521 1.00 1.17 O ATOM 0 H TYR A 184 15.390 0.968 7.586 1.00 0.52 H new ATOM 0 HA TYR A 184 17.335 2.636 8.716 1.00 0.57 H new ATOM 0 HB2 TYR A 184 17.971 0.634 7.588 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.043 1.037 6.157 1.00 0.60 H new ATOM 0 HD1 TYR A 184 20.062 2.053 8.101 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.064 2.156 4.341 1.00 0.74 H new ATOM 0 HE1 TYR A 184 22.077 2.989 7.057 1.00 0.99 H new ATOM 0 HE2 TYR A 184 20.074 3.096 3.297 1.00 0.88 H new ATOM 0 HH TYR A 184 22.164 3.760 3.566 1.00 1.17 H new ATOM 2866 N LEU A 185 15.902 3.862 6.021 1.00 0.54 N ATOM 2867 CA LEU A 185 15.721 5.085 5.244 1.00 0.57 C ATOM 2868 C LEU A 185 14.959 6.144 6.039 1.00 0.59 C ATOM 2869 O LEU A 185 15.153 7.342 5.831 1.00 0.68 O ATOM 2870 CB LEU A 185 14.983 4.775 3.946 1.00 0.54 C ATOM 2871 CG LEU A 185 15.767 3.919 2.952 1.00 0.54 C ATOM 2872 CD1 LEU A 185 14.900 3.560 1.761 1.00 0.53 C ATOM 2873 CD2 LEU A 185 17.017 4.649 2.496 1.00 0.61 C ATOM 0 H LEU A 185 15.328 3.078 5.710 1.00 0.54 H new ATOM 0 HA LEU A 185 16.708 5.485 5.013 1.00 0.57 H new ATOM 0 HB2 LEU A 185 14.051 4.264 4.188 1.00 0.54 H new ATOM 0 HB3 LEU A 185 14.716 5.715 3.463 1.00 0.54 H new ATOM 0 HG LEU A 185 16.066 2.997 3.451 1.00 0.54 H new ATOM 0 HD11 LEU A 185 15.474 2.950 1.063 1.00 0.53 H new ATOM 0 HD12 LEU A 185 14.029 3.000 2.101 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.572 4.472 1.261 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.564 4.026 1.788 1.00 0.61 H new ATOM 0 HD22 LEU A 185 16.736 5.585 2.014 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.650 4.861 3.358 1.00 0.61 H new ATOM 2885 N SER A 186 14.095 5.696 6.943 1.00 0.55 N ATOM 2886 CA SER A 186 13.314 6.607 7.774 1.00 0.60 C ATOM 2887 C SER A 186 14.200 7.289 8.811 1.00 0.65 C ATOM 2888 O SER A 186 13.993 8.453 9.148 1.00 0.73 O ATOM 2889 CB SER A 186 12.174 5.850 8.463 1.00 0.59 C ATOM 2890 OG SER A 186 11.346 5.205 7.512 1.00 1.07 O ATOM 0 H SER A 186 13.917 4.707 7.120 1.00 0.55 H new ATOM 0 HA SER A 186 12.887 7.377 7.131 1.00 0.60 H new ATOM 0 HB2 SER A 186 12.586 5.112 9.151 1.00 0.59 H new ATOM 0 HB3 SER A 186 11.579 6.543 9.058 1.00 0.59 H new ATOM 0 HG SER A 186 11.888 4.601 6.962 1.00 1.07 H new ATOM 2896 N GLU A 187 15.194 6.563 9.300 1.00 0.66 N ATOM 2897 CA GLU A 187 16.111 7.095 10.298 1.00 0.76 C ATOM 2898 C GLU A 187 17.378 7.629 9.639 1.00 0.82 C ATOM 2899 O GLU A 187 18.326 8.024 10.320 1.00 0.98 O ATOM 2900 CB GLU A 187 16.469 6.010 11.316 1.00 0.80 C ATOM 2901 CG GLU A 187 15.273 5.478 12.096 1.00 1.10 C ATOM 2902 CD GLU A 187 14.866 6.366 13.255 1.00 1.56 C ATOM 2903 OE1 GLU A 187 14.266 7.431 13.020 1.00 2.26 O1- ATOM 2904 OE2 GLU A 187 15.156 6.002 14.418 1.00 2.01 O ATOM 0 H GLU A 187 15.387 5.601 9.021 1.00 0.66 H new ATOM 0 HA GLU A 187 15.616 7.919 10.813 1.00 0.76 H new ATOM 0 HB2 GLU A 187 16.949 5.181 10.796 1.00 0.80 H new ATOM 0 HB3 GLU A 187 17.199 6.411 12.019 1.00 0.80 H new ATOM 0 HG2 GLU A 187 14.427 5.368 11.418 1.00 1.10 H new ATOM 0 HG3 GLU A 187 15.509 4.484 12.475 1.00 1.10 H new ATOM 2911 N LYS A 188 17.391 7.644 8.315 1.00 0.79 N ATOM 2912 CA LYS A 188 18.547 8.122 7.574 1.00 0.86 C ATOM 2913 C LYS A 188 18.565 9.645 7.531 1.00 0.99 C ATOM 2914 O LYS A 188 17.723 10.272 6.886 1.00 1.46 O ATOM 2915 CB LYS A 188 18.545 7.547 6.153 1.00 0.82 C ATOM 2916 CG LYS A 188 19.886 7.654 5.440 1.00 0.95 C ATOM 2917 CD LYS A 188 20.009 8.960 4.669 1.00 1.00 C ATOM 2918 CE LYS A 188 21.464 9.315 4.400 1.00 1.25 C ATOM 2919 NZ LYS A 188 21.650 10.769 4.144 1.00 1.72 N1+ ATOM 0 H LYS A 188 16.615 7.331 7.732 1.00 0.79 H new ATOM 0 HA LYS A 188 19.448 7.783 8.085 1.00 0.86 H new ATOM 0 HB2 LYS A 188 18.251 6.498 6.197 1.00 0.82 H new ATOM 0 HB3 LYS A 188 17.789 8.066 5.563 1.00 0.82 H new ATOM 0 HG2 LYS A 188 20.693 7.584 6.169 1.00 0.95 H new ATOM 0 HG3 LYS A 188 20.002 6.814 4.755 1.00 0.95 H new ATOM 0 HD2 LYS A 188 19.473 8.877 3.724 1.00 1.00 H new ATOM 0 HD3 LYS A 188 19.536 9.763 5.234 1.00 1.00 H new ATOM 0 HE2 LYS A 188 22.073 9.017 5.254 1.00 1.25 H new ATOM 0 HE3 LYS A 188 21.822 8.748 3.541 1.00 1.25 H new ATOM 0 HZ1 LYS A 188 22.665 10.996 4.151 1.00 1.72 H new ATOM 0 HZ2 LYS A 188 21.247 11.013 3.217 1.00 1.72 H new ATOM 0 HZ3 LYS A 188 21.168 11.316 4.885 1.00 1.72 H new ATOM 2933 N LYS A 189 19.532 10.229 8.224 1.00 1.41 N ATOM 2934 CA LYS A 189 19.678 11.675 8.270 1.00 1.63 C ATOM 2935 C LYS A 189 20.880 12.107 7.439 1.00 2.24 C ATOM 2936 O LYS A 189 21.962 12.339 8.022 1.00 2.81 O ATOM 2937 CB LYS A 189 19.832 12.162 9.715 1.00 2.37 C ATOM 2938 CG LYS A 189 18.647 11.817 10.604 1.00 2.87 C ATOM 2939 CD LYS A 189 18.730 12.531 11.945 1.00 3.48 C ATOM 2940 CE LYS A 189 18.361 14.003 11.828 1.00 3.91 C ATOM 2941 NZ LYS A 189 16.915 14.204 11.526 1.00 4.33 N1+ ATOM 2942 OXT LYS A 189 20.749 12.196 6.202 1.00 2.89 O1- ATOM 0 H LYS A 189 20.231 9.719 8.765 1.00 1.41 H new ATOM 0 HA LYS A 189 18.777 12.124 7.852 1.00 1.63 H new ATOM 0 HB2 LYS A 189 20.735 11.726 10.142 1.00 2.37 H new ATOM 0 HB3 LYS A 189 19.971 13.243 9.712 1.00 2.37 H new ATOM 0 HG2 LYS A 189 17.720 12.093 10.100 1.00 2.87 H new ATOM 0 HG3 LYS A 189 18.613 10.740 10.766 1.00 2.87 H new ATOM 0 HD2 LYS A 189 18.063 12.045 12.657 1.00 3.48 H new ATOM 0 HD3 LYS A 189 19.741 12.441 12.342 1.00 3.48 H new ATOM 0 HE2 LYS A 189 18.609 14.512 12.759 1.00 3.91 H new ATOM 0 HE3 LYS A 189 18.961 14.464 11.043 1.00 3.91 H new ATOM 0 HZ1 LYS A 189 16.658 15.196 11.704 1.00 4.33 H new ATOM 0 HZ2 LYS A 189 16.733 13.973 10.528 1.00 4.33 H new ATOM 0 HZ3 LYS A 189 16.344 13.583 12.134 1.00 4.33 H new TER 2956 LYS A 189 HETATM 2957 O3 SFQ A 201 8.451 -9.304 -8.847 1.00 2.80 O HETATM 2958 C13 SFQ A 201 8.594 -10.011 -7.825 1.00 2.19 C HETATM 2959 O4 SFQ A 201 7.752 -10.901 -7.573 1.00 2.04 O HETATM 2960 C8 SFQ A 201 9.708 -9.852 -7.013 1.00 1.95 C HETATM 2961 C9 SFQ A 201 10.717 -8.972 -7.387 1.00 2.61 C HETATM 2962 C10 SFQ A 201 11.864 -8.860 -6.607 1.00 2.73 C HETATM 2963 C11 SFQ A 201 12.007 -9.629 -5.456 1.00 2.07 C HETATM 2964 C12 SFQ A 201 11.000 -10.510 -5.081 1.00 1.25 C HETATM 2965 C7 SFQ A 201 9.852 -10.613 -5.857 1.00 1.28 C HETATM 2966 N1 SFQ A 201 8.828 -11.398 -5.534 1.00 1.26 N HETATM 2967 S1 SFQ A 201 8.973 -12.300 -4.184 1.00 1.32 S HETATM 2968 O1 SFQ A 201 7.608 -12.881 -3.813 1.00 1.89 O HETATM 2969 O2 SFQ A 201 9.471 -11.434 -3.025 1.00 2.07 O HETATM 2970 C4 SFQ A 201 10.096 -13.604 -4.484 1.00 1.37 C HETATM 2971 C2 SFQ A 201 11.279 -13.698 -3.758 1.00 2.11 C HETATM 2972 C1 SFQ A 201 12.164 -14.738 -4.000 1.00 2.79 C HETATM 2973 C3 SFQ A 201 11.868 -15.692 -4.970 1.00 2.87 C HETATM 2974 I1 SFQ A 201 13.197 -17.265 -5.335 1.00 4.24 I HETATM 2975 C6 SFQ A 201 10.687 -15.598 -5.698 1.00 2.39 C HETATM 2976 C5 SFQ A 201 9.803 -14.556 -5.456 1.00 1.65 C