USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1376 hydrogens (0 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 88 SER OG : rot -8:sc= 0.676! USER MOD Set 1.2: A 135 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 106 GLN : amide:sc= -3.9! C(o=-5.2!,f=-9!) USER MOD Set 2.2: A 108 TYR OH : rot 68:sc= -1.3! USER MOD Set 3.1: A 92 GLN : amide:sc= -1.63! C(o=-1.6!,f=-1.8!) USER MOD Set 3.2: A 111 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 57 HIS : no HD1:sc= 0 X(o=-0.19,f=-0.25) USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= -0.193 USER MOD Set 5.1: A 22 CYS SG : rot -98:sc= 1.84 USER MOD Set 5.2: A 26 CYS SG : rot 120:sc= 1.08 USER MOD Set 6.1: A 8 SER OG : rot 84:sc= 0.716 USER MOD Set 6.2: A 10 TYR OH : rot 180:sc=-0.00276 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 41:sc= 0.489 USER MOD Single : A 6 LYS NZ :NH3+ 145:sc= 0.0091 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.52 X(o=-2.5,f=-2.1!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.6! USER MOD Single : A 31 SER OG : rot -25:sc= 0.1 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 5:sc= -2.52! USER MOD Single : A 37 ASN :FLIP amide:sc= -0.213 F(o=-2!,f=-0.21) USER MOD Single : A 38 SER OG : rot 59:sc= 0.551 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -144:sc= 0.545 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.327 F(o=-0.96,f=-0.33) USER MOD Single : A 55 SER OG : rot 180:sc= -0.236 USER MOD Single : A 58 MET CE :methyl 177:sc= 0 (180deg=-0.00714) USER MOD Single : A 63 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.65! C(o=-3.6!,f=-5.7!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.49 K(o=-1.5,f=-7.1!) USER MOD Single : A 81 SER OG : rot -140:sc= -1.73! USER MOD Single : A 82 CYS SG : rot 32:sc= -0.367 USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.234 F(o=-0.93,f=-0.23) USER MOD Single : A 89 SER OG : rot -127:sc= 0.328 USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= -0.289 (180deg=-1.5!) USER MOD Single : A 96 GLN : amide:sc= -2.65 X(o=-2.6,f=-2.2) USER MOD Single : A 100 LYS NZ :NH3+ -144:sc= -0.833 (180deg=-2.14!) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0824 F(o=-0.84,f=-0.082) USER MOD Single : A 107 MET CE :methyl 177:sc=-0.00247 (180deg=-0.0278) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 114 CYS SG : rot 139:sc= -1.19 USER MOD Single : A 116 SER OG : rot 160:sc= 0.172 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.42) USER MOD Single : A 122 HIS :FLIP no HD1:sc= -0.306 F(o=-0.84,f=-0.31) USER MOD Single : A 127 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-1) USER MOD Single : A 128 SER OG : rot 131:sc= -0.737 USER MOD Single : A 129 CYS SG : rot 43:sc= -0.617 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 180:sc= -0.386 USER MOD Single : A 143 ASN :FLIP amide:sc= -0.461 F(o=-0.99,f=-0.46) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.33 USER MOD Single : A 148 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.76) USER MOD Single : A 149 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 159:sc= -0.0352 (180deg=-0.422) USER MOD Single : A 156 TYR OH : rot 180:sc= -0.0375 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.0658 X(o=-0.066,f=-0.28) USER MOD Single : A 171 SER OG : rot 50:sc= -0.225 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.002 -15.597 -4.696 1.00 4.50 N ATOM 2 CA SER A 1 15.631 -16.885 -5.346 1.00 4.52 C ATOM 3 C SER A 1 14.819 -17.734 -4.366 1.00 3.57 C ATOM 4 O SER A 1 13.615 -17.847 -4.478 1.00 3.03 O ATOM 5 CB SER A 1 16.900 -17.638 -5.744 1.00 4.81 C ATOM 6 OG SER A 1 16.592 -19.011 -5.938 1.00 5.28 O ATOM 0 H1 SER A 1 16.554 -15.019 -5.361 1.00 4.50 H new ATOM 0 H2 SER A 1 15.139 -15.084 -4.425 1.00 4.50 H new ATOM 0 H3 SER A 1 16.572 -15.788 -3.847 1.00 4.50 H new ATOM 0 HA SER A 1 15.033 -16.686 -6.235 1.00 4.52 H new ATOM 0 HB2 SER A 1 17.316 -17.214 -6.658 1.00 4.81 H new ATOM 0 HB3 SER A 1 17.659 -17.530 -4.969 1.00 4.81 H new ATOM 0 HG SER A 1 17.404 -19.495 -6.195 1.00 5.28 H new ATOM 14 N LYS A 2 15.469 -18.331 -3.404 1.00 3.60 N ATOM 15 CA LYS A 2 14.733 -19.170 -2.417 1.00 3.08 C ATOM 16 C LYS A 2 13.816 -18.275 -1.580 1.00 2.11 C ATOM 17 O LYS A 2 13.165 -17.396 -2.110 1.00 2.12 O ATOM 18 CB LYS A 2 15.739 -19.889 -1.514 1.00 3.28 C ATOM 19 CG LYS A 2 16.750 -20.646 -2.377 1.00 3.95 C ATOM 20 CD LYS A 2 17.632 -21.518 -1.482 1.00 4.66 C ATOM 21 CE LYS A 2 18.556 -22.373 -2.353 1.00 5.66 C ATOM 22 NZ LYS A 2 19.227 -23.402 -1.506 1.00 5.96 N ATOM 0 H LYS A 2 16.477 -18.274 -3.259 1.00 3.60 H new ATOM 0 HA LYS A 2 14.128 -19.913 -2.937 1.00 3.08 H new ATOM 0 HB2 LYS A 2 16.254 -19.168 -0.880 1.00 3.28 H new ATOM 0 HB3 LYS A 2 15.219 -20.582 -0.852 1.00 3.28 H new ATOM 0 HG2 LYS A 2 16.229 -21.266 -3.107 1.00 3.95 H new ATOM 0 HG3 LYS A 2 17.365 -19.942 -2.937 1.00 3.95 H new ATOM 0 HD2 LYS A 2 18.222 -20.891 -0.813 1.00 4.66 H new ATOM 0 HD3 LYS A 2 17.012 -22.158 -0.854 1.00 4.66 H new ATOM 0 HE2 LYS A 2 17.983 -22.856 -3.145 1.00 5.66 H new ATOM 0 HE3 LYS A 2 19.302 -21.743 -2.838 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 19.855 -23.983 -2.098 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 19.786 -22.932 -0.766 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 18.508 -24.010 -1.063 1.00 5.96 H new ATOM 36 N THR A 3 13.788 -18.434 -0.280 1.00 1.72 N ATOM 37 CA THR A 3 12.952 -17.535 0.573 1.00 1.18 C ATOM 38 C THR A 3 13.892 -16.482 1.156 1.00 1.02 C ATOM 39 O THR A 3 14.740 -16.799 1.967 1.00 1.63 O ATOM 40 CB THR A 3 12.324 -18.349 1.707 1.00 1.48 C ATOM 41 OG1 THR A 3 13.313 -19.189 2.287 1.00 2.13 O ATOM 42 CG2 THR A 3 11.184 -19.204 1.155 1.00 2.22 C ATOM 0 H THR A 3 14.309 -19.149 0.228 1.00 1.72 H new ATOM 0 HA THR A 3 12.152 -17.071 -0.004 1.00 1.18 H new ATOM 0 HB THR A 3 11.930 -17.673 2.466 1.00 1.48 H new ATOM 0 HG1 THR A 3 14.154 -18.693 2.372 1.00 2.13 H new ATOM 0 HG21 THR A 3 10.738 -19.783 1.964 1.00 2.22 H new ATOM 0 HG22 THR A 3 10.427 -18.558 0.711 1.00 2.22 H new ATOM 0 HG23 THR A 3 11.573 -19.882 0.395 1.00 2.22 H new ATOM 50 N GLY A 4 13.784 -15.241 0.768 1.00 0.52 N ATOM 51 CA GLY A 4 14.711 -14.215 1.328 1.00 0.30 C ATOM 52 C GLY A 4 14.553 -12.965 0.461 1.00 0.41 C ATOM 53 O GLY A 4 15.157 -12.835 -0.585 1.00 0.81 O ATOM 0 H GLY A 4 13.101 -14.894 0.094 1.00 0.52 H new ATOM 0 HA2 GLY A 4 14.467 -13.999 2.368 1.00 0.30 H new ATOM 0 HA3 GLY A 4 15.741 -14.572 1.310 1.00 0.30 H new ATOM 57 N GLY A 5 13.725 -12.053 0.893 1.00 0.01 N ATOM 58 CA GLY A 5 13.496 -10.811 0.102 1.00 0.01 C ATOM 59 C GLY A 5 14.670 -9.848 0.270 1.00 0.01 C ATOM 60 O GLY A 5 15.299 -9.792 1.310 1.00 0.01 O ATOM 0 H GLY A 5 13.196 -12.115 1.763 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.371 -11.061 -0.951 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.574 -10.330 0.427 1.00 0.01 H new ATOM 64 N LYS A 6 14.970 -9.092 -0.753 1.00 0.00 N ATOM 65 CA LYS A 6 16.107 -8.128 -0.677 1.00 0.01 C ATOM 66 C LYS A 6 15.849 -6.959 -1.628 1.00 0.01 C ATOM 67 O LYS A 6 15.418 -7.145 -2.756 1.00 0.00 O ATOM 68 CB LYS A 6 17.409 -8.837 -1.063 1.00 0.02 C ATOM 69 CG LYS A 6 18.604 -7.901 -0.882 1.00 0.02 C ATOM 70 CD LYS A 6 19.861 -8.593 -1.411 1.00 0.02 C ATOM 71 CE LYS A 6 21.096 -7.774 -1.040 1.00 0.02 C ATOM 72 NZ LYS A 6 22.319 -8.474 -1.523 1.00 0.02 N ATOM 0 H LYS A 6 14.473 -9.101 -1.644 1.00 0.00 H new ATOM 0 HA LYS A 6 16.196 -7.749 0.341 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.541 -9.727 -0.448 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.355 -9.170 -2.099 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.435 -6.966 -1.417 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.728 -7.648 0.171 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.939 -9.596 -0.992 1.00 0.02 H new ATOM 0 HD3 LYS A 6 19.798 -8.704 -2.494 1.00 0.02 H new ATOM 0 HE2 LYS A 6 21.033 -6.780 -1.484 1.00 0.02 H new ATOM 0 HE3 LYS A 6 21.144 -7.638 0.040 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 23.024 -7.772 -1.826 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 22.714 -9.052 -0.754 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 22.074 -9.087 -2.327 1.00 0.02 H new ATOM 86 N ILE A 7 16.128 -5.754 -1.178 1.00 0.02 N ATOM 87 CA ILE A 7 15.923 -4.538 -2.034 1.00 0.00 C ATOM 88 C ILE A 7 17.190 -3.670 -2.018 1.00 0.02 C ATOM 89 O ILE A 7 17.835 -3.515 -0.999 1.00 0.01 O ATOM 90 CB ILE A 7 14.711 -3.752 -1.522 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.611 -2.414 -2.262 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.856 -3.490 -0.026 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.275 -1.746 -1.931 1.00 0.02 C ATOM 0 H ILE A 7 16.492 -5.561 -0.245 1.00 0.02 H new ATOM 0 HA ILE A 7 15.731 -4.840 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 7 13.809 -4.337 -1.702 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.436 -1.764 -1.972 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.693 -2.574 -3.337 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.991 -2.931 0.331 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.919 -4.440 0.505 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.762 -2.912 0.156 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.204 -0.794 -2.457 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.457 -2.395 -2.243 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.211 -1.572 -0.857 1.00 0.02 H new ATOM 105 N SER A 8 17.545 -3.095 -3.149 1.00 0.02 N ATOM 106 CA SER A 8 18.766 -2.220 -3.222 1.00 0.02 C ATOM 107 C SER A 8 18.376 -0.814 -3.703 1.00 0.01 C ATOM 108 O SER A 8 17.705 -0.654 -4.700 1.00 0.02 O ATOM 109 CB SER A 8 19.784 -2.817 -4.198 1.00 0.30 C ATOM 110 OG SER A 8 21.059 -2.235 -3.959 1.00 0.39 O ATOM 0 H SER A 8 17.038 -3.195 -4.029 1.00 0.02 H new ATOM 0 HA SER A 8 19.208 -2.158 -2.228 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.835 -3.898 -4.072 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.473 -2.630 -5.226 1.00 0.30 H new ATOM 0 HG SER A 8 21.501 -2.707 -3.222 1.00 0.39 H new ATOM 116 N PHE A 9 18.815 0.205 -2.999 1.00 0.02 N ATOM 117 CA PHE A 9 18.501 1.619 -3.396 1.00 0.01 C ATOM 118 C PHE A 9 19.782 2.305 -3.894 1.00 0.01 C ATOM 119 O PHE A 9 20.845 2.117 -3.336 1.00 0.02 O ATOM 120 CB PHE A 9 17.966 2.379 -2.175 1.00 0.02 C ATOM 121 CG PHE A 9 17.038 1.490 -1.382 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.566 0.492 -0.556 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.652 1.666 -1.469 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.708 -0.331 0.184 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.794 0.845 -0.729 1.00 0.02 C ATOM 126 CZ PHE A 9 15.323 -0.154 0.097 1.00 0.02 C ATOM 0 H PHE A 9 19.384 0.117 -2.157 1.00 0.02 H new ATOM 0 HA PHE A 9 17.753 1.619 -4.189 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.795 2.706 -1.547 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.437 3.276 -2.497 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.635 0.356 -0.489 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.245 2.436 -2.108 1.00 0.01 H new ATOM 0 HE1 PHE A 9 17.115 -1.102 0.821 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.725 0.982 -0.795 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.661 -0.789 0.668 1.00 0.02 H new ATOM 136 N TYR A 10 19.691 3.095 -4.943 1.00 0.02 N ATOM 137 CA TYR A 10 20.905 3.792 -5.488 1.00 0.01 C ATOM 138 C TYR A 10 20.675 5.309 -5.476 1.00 0.02 C ATOM 139 O TYR A 10 19.595 5.797 -5.776 1.00 0.01 O ATOM 140 CB TYR A 10 21.150 3.341 -6.933 1.00 0.02 C ATOM 141 CG TYR A 10 21.077 1.831 -7.033 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.843 1.179 -6.922 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.244 1.085 -7.247 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.775 -0.216 -7.023 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.173 -0.310 -7.349 1.00 0.02 C ATOM 146 CZ TYR A 10 20.940 -0.959 -7.237 1.00 0.00 C ATOM 147 OH TYR A 10 20.873 -2.333 -7.336 1.00 0.02 O ATOM 0 H TYR A 10 18.825 3.287 -5.446 1.00 0.02 H new ATOM 0 HA TYR A 10 21.768 3.543 -4.870 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.408 3.792 -7.592 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.128 3.687 -7.268 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.943 1.753 -6.758 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.197 1.585 -7.333 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.823 -0.718 -6.936 1.00 0.02 H new ATOM 0 HE2 TYR A 10 23.072 -0.885 -7.514 1.00 0.02 H new ATOM 0 HH TYR A 10 21.772 -2.694 -7.485 1.00 0.02 H new ATOM 157 N GLU A 11 21.674 6.063 -5.087 1.00 0.00 N ATOM 158 CA GLU A 11 21.504 7.540 -5.008 1.00 0.02 C ATOM 159 C GLU A 11 21.376 8.171 -6.397 1.00 0.03 C ATOM 160 O GLU A 11 20.758 9.208 -6.536 1.00 0.03 O ATOM 161 CB GLU A 11 22.712 8.151 -4.298 1.00 0.00 C ATOM 162 CG GLU A 11 22.776 7.633 -2.863 1.00 0.00 C ATOM 163 CD GLU A 11 23.762 8.480 -2.057 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.816 8.789 -2.584 1.00 0.01 O ATOM 165 OE2 GLU A 11 23.444 8.804 -0.924 1.00 0.02 O ATOM 0 H GLU A 11 22.596 5.717 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 11 20.587 7.741 -4.454 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.628 7.894 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.637 9.238 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.787 7.674 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.087 6.588 -2.856 1.00 0.00 H new ATOM 172 N ASP A 12 21.940 7.578 -7.428 1.00 0.02 N ATOM 173 CA ASP A 12 21.825 8.182 -8.797 1.00 0.01 C ATOM 174 C ASP A 12 21.007 7.265 -9.709 1.00 0.02 C ATOM 175 O ASP A 12 20.679 6.146 -9.369 1.00 0.02 O ATOM 176 CB ASP A 12 23.219 8.375 -9.402 1.00 0.01 C ATOM 177 CG ASP A 12 24.159 8.957 -8.344 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.680 9.285 -7.270 1.00 0.03 O ATOM 179 OD2 ASP A 12 25.341 9.066 -8.628 1.00 0.02 O ATOM 0 H ASP A 12 22.471 6.708 -7.380 1.00 0.02 H new ATOM 0 HA ASP A 12 21.327 9.147 -8.710 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.606 7.422 -9.762 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.165 9.043 -10.262 1.00 0.01 H new ATOM 184 N ARG A 13 20.675 7.759 -10.865 1.00 0.02 N ATOM 185 CA ARG A 13 19.869 6.971 -11.840 1.00 0.02 C ATOM 186 C ARG A 13 20.737 5.896 -12.499 1.00 0.00 C ATOM 187 O ARG A 13 21.951 5.955 -12.482 1.00 0.02 O ATOM 188 CB ARG A 13 19.345 7.931 -12.912 1.00 0.00 C ATOM 189 CG ARG A 13 18.195 8.763 -12.336 1.00 0.01 C ATOM 190 CD ARG A 13 17.670 9.719 -13.410 1.00 0.02 C ATOM 191 NE ARG A 13 18.716 10.730 -13.724 1.00 0.03 N ATOM 192 CZ ARG A 13 18.619 11.457 -14.805 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.601 11.300 -15.607 1.00 0.02 N ATOM 194 NH2 ARG A 13 19.539 12.341 -15.081 1.00 0.02 N ATOM 0 H ARG A 13 20.932 8.693 -11.184 1.00 0.02 H new ATOM 0 HA ARG A 13 19.042 6.481 -11.326 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.147 8.586 -13.252 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.002 7.370 -13.781 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.394 8.108 -11.994 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.538 9.327 -11.469 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.404 9.163 -14.309 1.00 0.02 H new ATOM 0 HD3 ARG A 13 16.763 10.213 -13.061 1.00 0.02 H new ATOM 0 HE ARG A 13 19.509 10.855 -13.095 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.882 10.610 -15.389 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.525 11.867 -16.451 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.333 12.464 -14.453 1.00 0.02 H new ATOM 0 HH22 ARG A 13 19.464 12.909 -15.925 1.00 0.02 H new ATOM 208 N ASN A 14 20.105 4.904 -13.074 1.00 0.02 N ATOM 209 CA ASN A 14 20.849 3.805 -13.754 1.00 0.02 C ATOM 210 C ASN A 14 21.722 3.051 -12.755 1.00 0.02 C ATOM 211 O ASN A 14 22.812 2.610 -13.060 1.00 0.02 O ATOM 212 CB ASN A 14 21.699 4.400 -14.881 1.00 0.26 C ATOM 213 CG ASN A 14 22.120 3.291 -15.849 1.00 0.12 C ATOM 214 OD1 ASN A 14 22.847 2.390 -15.480 1.00 0.74 O ATOM 215 ND2 ASN A 14 21.688 3.317 -17.079 1.00 0.46 N ATOM 0 H ASN A 14 19.090 4.810 -13.100 1.00 0.02 H new ATOM 0 HA ASN A 14 20.140 3.093 -14.177 1.00 0.02 H new ATOM 0 HB2 ASN A 14 21.132 5.164 -15.413 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.581 4.888 -14.466 1.00 0.26 H new ATOM 0 HD21 ASN A 14 21.960 2.581 -17.731 1.00 0.46 H new ATOM 0 HD22 ASN A 14 21.078 4.073 -17.389 1.00 0.46 H new ATOM 222 N PHE A 15 21.221 2.930 -11.551 1.00 0.02 N ATOM 223 CA PHE A 15 21.940 2.223 -10.450 1.00 0.02 C ATOM 224 C PHE A 15 23.378 2.717 -10.334 1.00 0.00 C ATOM 225 O PHE A 15 24.300 1.953 -10.136 1.00 0.02 O ATOM 226 CB PHE A 15 21.911 0.695 -10.656 1.00 0.02 C ATOM 227 CG PHE A 15 22.274 0.328 -12.074 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.274 0.228 -13.049 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.611 0.088 -12.416 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.611 -0.112 -14.363 1.00 0.02 C ATOM 231 CE2 PHE A 15 23.946 -0.252 -13.732 1.00 0.02 C ATOM 232 CZ PHE A 15 22.946 -0.351 -14.705 1.00 0.02 C ATOM 0 H PHE A 15 20.313 3.306 -11.279 1.00 0.02 H new ATOM 0 HA PHE A 15 21.421 2.450 -9.518 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.607 0.219 -9.965 1.00 0.02 H new ATOM 0 HB3 PHE A 15 20.918 0.313 -10.422 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.243 0.413 -12.786 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.383 0.165 -11.665 1.00 0.02 H new ATOM 0 HE1 PHE A 15 20.839 -0.190 -15.115 1.00 0.02 H new ATOM 0 HE2 PHE A 15 24.977 -0.438 -13.996 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.205 -0.612 -15.721 1.00 0.02 H new ATOM 242 N GLN A 16 23.557 4.010 -10.418 1.00 0.02 N ATOM 243 CA GLN A 16 24.919 4.608 -10.277 1.00 0.02 C ATOM 244 C GLN A 16 24.965 5.352 -8.937 1.00 0.02 C ATOM 245 O GLN A 16 23.942 5.598 -8.324 1.00 0.02 O ATOM 246 CB GLN A 16 25.162 5.599 -11.421 1.00 0.02 C ATOM 247 CG GLN A 16 25.534 4.833 -12.694 1.00 0.00 C ATOM 248 CD GLN A 16 25.605 5.804 -13.873 1.00 0.00 C ATOM 249 OE1 GLN A 16 25.474 7.085 -13.659 1.00 0.02 O flip ATOM 250 NE2 GLN A 16 25.780 5.392 -15.003 1.00 0.02 N flip ATOM 0 H GLN A 16 22.809 4.685 -10.580 1.00 0.02 H new ATOM 0 HA GLN A 16 25.685 3.833 -10.312 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.268 6.198 -11.593 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.961 6.290 -11.153 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.494 4.333 -12.563 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.795 4.057 -12.893 1.00 0.00 H new ATOM 0 HE21 GLN A 16 25.882 4.391 -15.171 1.00 0.02 H new ATOM 0 HE22 GLN A 16 25.824 6.047 -15.784 1.00 0.02 H new ATOM 259 N GLY A 17 26.131 5.708 -8.465 1.00 0.03 N ATOM 260 CA GLY A 17 26.214 6.434 -7.161 1.00 0.03 C ATOM 261 C GLY A 17 26.342 5.442 -5.997 1.00 0.02 C ATOM 262 O GLY A 17 26.579 4.265 -6.189 1.00 0.02 O ATOM 0 H GLY A 17 27.025 5.529 -8.922 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.071 7.108 -7.168 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.325 7.050 -7.025 1.00 0.03 H new ATOM 266 N ARG A 18 26.175 5.914 -4.790 1.00 0.00 N ATOM 267 CA ARG A 18 26.271 5.013 -3.602 1.00 0.02 C ATOM 268 C ARG A 18 25.069 4.065 -3.596 1.00 0.02 C ATOM 269 O ARG A 18 23.976 4.429 -3.986 1.00 0.02 O ATOM 270 CB ARG A 18 26.270 5.863 -2.331 1.00 0.79 C ATOM 271 CG ARG A 18 26.404 4.952 -1.107 1.00 1.49 C ATOM 272 CD ARG A 18 26.581 5.808 0.149 1.00 1.42 C ATOM 273 NE ARG A 18 27.736 6.730 -0.037 1.00 2.07 N ATOM 274 CZ ARG A 18 27.891 7.750 0.762 1.00 2.35 C ATOM 275 NH1 ARG A 18 27.034 7.960 1.723 1.00 2.53 N ATOM 276 NH2 ARG A 18 28.903 8.557 0.600 1.00 2.76 N ATOM 0 H ARG A 18 25.975 6.891 -4.574 1.00 0.00 H new ATOM 0 HA ARG A 18 27.190 4.429 -3.645 1.00 0.02 H new ATOM 0 HB2 ARG A 18 27.093 6.577 -2.358 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.348 6.441 -2.268 1.00 0.79 H new ATOM 0 HG2 ARG A 18 25.519 4.323 -1.010 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.257 4.285 -1.229 1.00 1.49 H new ATOM 0 HD2 ARG A 18 25.673 6.380 0.343 1.00 1.42 H new ATOM 0 HD3 ARG A 18 26.748 5.170 1.017 1.00 1.42 H new ATOM 0 HE ARG A 18 28.405 6.564 -0.789 1.00 2.07 H new ATOM 0 HH11 ARG A 18 26.244 7.327 1.849 1.00 2.53 H new ATOM 0 HH12 ARG A 18 27.154 8.757 2.348 1.00 2.53 H new ATOM 0 HH21 ARG A 18 29.573 8.391 -0.151 1.00 2.76 H new ATOM 0 HH22 ARG A 18 29.024 9.354 1.224 1.00 2.76 H new ATOM 290 N ARG A 19 25.277 2.838 -3.176 1.00 0.02 N ATOM 291 CA ARG A 19 24.171 1.830 -3.158 1.00 0.02 C ATOM 292 C ARG A 19 23.986 1.274 -1.742 1.00 0.02 C ATOM 293 O ARG A 19 24.924 1.168 -0.977 1.00 0.02 O ATOM 294 CB ARG A 19 24.559 0.674 -4.088 1.00 0.85 C ATOM 295 CG ARG A 19 23.379 -0.290 -4.260 1.00 1.31 C ATOM 296 CD ARG A 19 23.842 -1.548 -5.005 1.00 1.34 C ATOM 297 NE ARG A 19 24.475 -2.488 -4.039 1.00 1.50 N ATOM 298 CZ ARG A 19 24.679 -3.733 -4.376 1.00 1.63 C ATOM 299 NH1 ARG A 19 24.330 -4.155 -5.562 1.00 1.72 N ATOM 300 NH2 ARG A 19 25.233 -4.556 -3.529 1.00 1.89 N ATOM 0 H ARG A 19 26.176 2.490 -2.842 1.00 0.02 H new ATOM 0 HA ARG A 19 23.244 2.302 -3.483 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.862 1.066 -5.059 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.416 0.140 -3.678 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.974 -0.562 -3.285 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.577 0.197 -4.814 1.00 1.31 H new ATOM 0 HD2 ARG A 19 22.994 -2.028 -5.494 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.552 -1.280 -5.788 1.00 1.34 H new ATOM 0 HE ARG A 19 24.749 -2.159 -3.113 1.00 1.50 H new ATOM 0 HH11 ARG A 19 23.898 -3.512 -6.225 1.00 1.72 H new ATOM 0 HH12 ARG A 19 24.490 -5.128 -5.825 1.00 1.72 H new ATOM 0 HH21 ARG A 19 25.507 -4.227 -2.603 1.00 1.89 H new ATOM 0 HH22 ARG A 19 25.392 -5.528 -3.793 1.00 1.89 H new ATOM 314 N TYR A 20 22.780 0.883 -1.414 1.00 0.02 N ATOM 315 CA TYR A 20 22.513 0.281 -0.067 1.00 0.02 C ATOM 316 C TYR A 20 21.594 -0.929 -0.226 1.00 0.02 C ATOM 317 O TYR A 20 20.600 -0.868 -0.916 1.00 0.02 O ATOM 318 CB TYR A 20 21.865 1.292 0.884 1.00 0.02 C ATOM 319 CG TYR A 20 22.077 0.807 2.304 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.335 -0.278 2.792 1.00 0.01 C ATOM 321 CD2 TYR A 20 23.031 1.426 3.121 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.545 -0.738 4.097 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.242 0.960 4.425 1.00 0.02 C ATOM 324 CZ TYR A 20 22.499 -0.119 4.913 1.00 0.02 C ATOM 325 OH TYR A 20 22.708 -0.577 6.198 1.00 0.01 O ATOM 0 H TYR A 20 21.964 0.954 -2.022 1.00 0.02 H new ATOM 0 HA TYR A 20 23.467 -0.023 0.363 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.307 2.279 0.749 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.801 1.388 0.670 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.602 -0.759 2.161 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.603 2.262 2.746 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.971 -1.571 4.475 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.980 1.435 5.054 1.00 0.02 H new ATOM 0 HH TYR A 20 23.404 -0.038 6.628 1.00 0.01 H new ATOM 335 N ASP A 21 21.912 -2.020 0.418 1.00 0.01 N ATOM 336 CA ASP A 21 21.059 -3.249 0.328 1.00 0.02 C ATOM 337 C ASP A 21 20.354 -3.466 1.673 1.00 0.00 C ATOM 338 O ASP A 21 20.952 -3.345 2.724 1.00 0.01 O ATOM 339 CB ASP A 21 21.966 -4.448 0.027 1.00 0.12 C ATOM 340 CG ASP A 21 22.321 -4.464 -1.463 1.00 0.41 C ATOM 341 OD1 ASP A 21 21.962 -3.519 -2.148 1.00 0.56 O ATOM 342 OD2 ASP A 21 22.944 -5.422 -1.894 1.00 1.12 O ATOM 0 H ASP A 21 22.736 -2.117 1.011 1.00 0.01 H new ATOM 0 HA ASP A 21 20.313 -3.139 -0.459 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.874 -4.389 0.627 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.463 -5.375 0.301 1.00 0.12 H new ATOM 347 N CYS A 22 19.076 -3.779 1.639 1.00 0.01 N ATOM 348 CA CYS A 22 18.302 -4.002 2.906 1.00 0.00 C ATOM 349 C CYS A 22 17.586 -5.352 2.831 1.00 0.02 C ATOM 350 O CYS A 22 17.028 -5.718 1.809 1.00 0.01 O ATOM 351 CB CYS A 22 17.272 -2.883 3.072 1.00 0.00 C ATOM 352 SG CYS A 22 16.585 -2.940 4.747 1.00 0.02 S ATOM 0 H CYS A 22 18.534 -3.890 0.782 1.00 0.01 H new ATOM 0 HA CYS A 22 18.982 -3.999 3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.739 -1.915 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.475 -2.995 2.336 1.00 0.00 H new ATOM 0 HG CYS A 22 15.450 -3.573 4.729 1.00 0.02 H new ATOM 358 N ASP A 23 17.604 -6.099 3.912 1.00 0.01 N ATOM 359 CA ASP A 23 16.939 -7.441 3.939 1.00 0.02 C ATOM 360 C ASP A 23 15.829 -7.466 4.998 1.00 0.00 C ATOM 361 O ASP A 23 15.308 -8.513 5.328 1.00 0.02 O ATOM 362 CB ASP A 23 17.986 -8.505 4.277 1.00 0.16 C ATOM 363 CG ASP A 23 18.954 -8.658 3.101 1.00 0.17 C ATOM 364 OD1 ASP A 23 19.745 -7.755 2.890 1.00 0.20 O ATOM 365 OD2 ASP A 23 18.886 -9.676 2.432 1.00 0.17 O ATOM 0 H ASP A 23 18.057 -5.831 4.786 1.00 0.01 H new ATOM 0 HA ASP A 23 16.497 -7.642 2.963 1.00 0.02 H new ATOM 0 HB2 ASP A 23 18.532 -8.221 5.177 1.00 0.16 H new ATOM 0 HB3 ASP A 23 17.498 -9.457 4.487 1.00 0.16 H new ATOM 370 N CYS A 24 15.450 -6.330 5.533 1.00 0.01 N ATOM 371 CA CYS A 24 14.365 -6.315 6.560 1.00 0.01 C ATOM 372 C CYS A 24 13.773 -4.901 6.648 1.00 0.01 C ATOM 373 O CYS A 24 14.266 -3.981 6.025 1.00 0.01 O ATOM 374 CB CYS A 24 14.940 -6.719 7.919 1.00 0.62 C ATOM 375 SG CYS A 24 13.631 -6.669 9.166 1.00 1.23 S ATOM 0 H CYS A 24 15.844 -5.418 5.303 1.00 0.01 H new ATOM 0 HA CYS A 24 13.583 -7.021 6.278 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.365 -7.721 7.863 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.749 -6.045 8.199 1.00 0.62 H new ATOM 0 HG CYS A 24 14.118 -7.014 10.321 1.00 1.23 H new ATOM 381 N ASP A 25 12.720 -4.711 7.404 1.00 0.02 N ATOM 382 CA ASP A 25 12.104 -3.353 7.512 1.00 0.01 C ATOM 383 C ASP A 25 13.083 -2.360 8.142 1.00 0.02 C ATOM 384 O ASP A 25 13.862 -2.702 9.012 1.00 0.00 O ATOM 385 CB ASP A 25 10.858 -3.441 8.395 1.00 0.01 C ATOM 386 CG ASP A 25 11.220 -4.117 9.719 1.00 0.01 C ATOM 387 OD1 ASP A 25 11.787 -3.448 10.566 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.923 -5.291 9.863 1.00 0.01 O ATOM 0 H ASP A 25 12.260 -5.439 7.951 1.00 0.02 H new ATOM 0 HA ASP A 25 11.845 -3.007 6.511 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.459 -2.444 8.580 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.078 -4.007 7.886 1.00 0.01 H new ATOM 393 N CYS A 26 13.024 -1.120 7.719 1.00 0.01 N ATOM 394 CA CYS A 26 13.920 -0.063 8.293 1.00 0.01 C ATOM 395 C CYS A 26 13.076 1.187 8.597 1.00 0.01 C ATOM 396 O CYS A 26 12.477 1.766 7.713 1.00 0.01 O ATOM 397 CB CYS A 26 15.025 0.272 7.285 1.00 0.01 C ATOM 398 SG CYS A 26 16.392 -0.899 7.480 1.00 0.02 S ATOM 0 H CYS A 26 12.387 -0.791 6.993 1.00 0.01 H new ATOM 0 HA CYS A 26 14.384 -0.419 9.213 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.633 0.224 6.269 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.379 1.291 7.442 1.00 0.01 H new ATOM 0 HG CYS A 26 16.576 -1.541 6.365 1.00 0.02 H new ATOM 404 N ALA A 27 12.994 1.575 9.848 1.00 0.01 N ATOM 405 CA ALA A 27 12.150 2.753 10.229 1.00 0.01 C ATOM 406 C ALA A 27 12.835 4.080 9.882 1.00 0.01 C ATOM 407 O ALA A 27 12.187 5.107 9.793 1.00 0.02 O ATOM 408 CB ALA A 27 11.877 2.706 11.733 1.00 0.24 C ATOM 0 H ALA A 27 13.478 1.124 10.625 1.00 0.01 H new ATOM 0 HA ALA A 27 11.218 2.699 9.666 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.263 3.560 12.018 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.351 1.783 11.979 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.822 2.741 12.276 1.00 0.24 H new ATOM 414 N ASP A 28 14.126 4.087 9.712 1.00 0.01 N ATOM 415 CA ASP A 28 14.826 5.371 9.389 1.00 0.02 C ATOM 416 C ASP A 28 16.095 5.067 8.598 1.00 0.01 C ATOM 417 O ASP A 28 17.068 4.569 9.128 1.00 0.02 O ATOM 418 CB ASP A 28 15.185 6.107 10.682 1.00 0.67 C ATOM 419 CG ASP A 28 13.907 6.439 11.454 1.00 0.90 C ATOM 420 OD1 ASP A 28 13.365 5.542 12.077 1.00 1.14 O ATOM 421 OD2 ASP A 28 13.494 7.587 11.409 1.00 0.87 O ATOM 0 H ASP A 28 14.729 3.267 9.781 1.00 0.01 H new ATOM 0 HA ASP A 28 14.168 6.004 8.793 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.842 5.489 11.294 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.731 7.022 10.452 1.00 0.67 H new ATOM 426 N PHE A 29 16.078 5.334 7.318 1.00 0.02 N ATOM 427 CA PHE A 29 17.250 5.043 6.444 1.00 0.02 C ATOM 428 C PHE A 29 18.053 6.330 6.184 1.00 0.00 C ATOM 429 O PHE A 29 18.961 6.360 5.376 1.00 0.02 O ATOM 430 CB PHE A 29 16.700 4.473 5.107 1.00 2.87 C ATOM 431 CG PHE A 29 17.331 3.135 4.801 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.679 3.078 4.457 1.00 4.52 C ATOM 433 CD2 PHE A 29 16.570 1.962 4.869 1.00 4.68 C ATOM 434 CE1 PHE A 29 19.276 1.848 4.180 1.00 5.75 C ATOM 435 CE2 PHE A 29 17.166 0.727 4.590 1.00 5.85 C ATOM 436 CZ PHE A 29 18.521 0.670 4.247 1.00 6.37 C ATOM 0 H PHE A 29 15.283 5.750 6.833 1.00 0.02 H new ATOM 0 HA PHE A 29 17.917 4.326 6.922 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.617 4.365 5.169 1.00 2.87 H new ATOM 0 HB3 PHE A 29 16.904 5.172 4.296 1.00 2.87 H new ATOM 0 HD1 PHE A 29 19.262 3.986 4.405 1.00 4.52 H new ATOM 0 HD2 PHE A 29 15.525 2.010 5.136 1.00 4.68 H new ATOM 0 HE1 PHE A 29 20.322 1.804 3.914 1.00 5.75 H new ATOM 0 HE2 PHE A 29 16.581 -0.180 4.639 1.00 5.85 H new ATOM 0 HZ PHE A 29 18.985 -0.282 4.034 1.00 6.37 H new ATOM 446 N ARG A 30 17.674 7.401 6.820 1.00 0.01 N ATOM 447 CA ARG A 30 18.356 8.704 6.581 1.00 0.00 C ATOM 448 C ARG A 30 19.841 8.669 6.967 1.00 0.01 C ATOM 449 O ARG A 30 20.636 9.397 6.407 1.00 0.02 O ATOM 450 CB ARG A 30 17.663 9.798 7.403 1.00 0.32 C ATOM 451 CG ARG A 30 16.206 9.977 6.934 1.00 0.86 C ATOM 452 CD ARG A 30 16.142 10.951 5.750 1.00 1.62 C ATOM 453 NE ARG A 30 16.730 12.261 6.150 1.00 2.25 N ATOM 454 CZ ARG A 30 17.056 13.136 5.239 1.00 2.70 C ATOM 455 NH1 ARG A 30 16.865 12.866 3.976 1.00 3.11 N ATOM 456 NH2 ARG A 30 17.570 14.283 5.590 1.00 3.02 N ATOM 0 H ARG A 30 16.915 7.431 7.501 1.00 0.01 H new ATOM 0 HA ARG A 30 18.291 8.911 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.682 9.535 8.461 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.204 10.739 7.299 1.00 0.32 H new ATOM 0 HG2 ARG A 30 15.790 9.013 6.643 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.596 10.353 7.756 1.00 0.86 H new ATOM 0 HD2 ARG A 30 16.686 10.541 4.899 1.00 1.62 H new ATOM 0 HD3 ARG A 30 15.108 11.086 5.433 1.00 1.62 H new ATOM 0 HE ARG A 30 16.878 12.473 7.137 1.00 2.25 H new ATOM 0 HH11 ARG A 30 16.461 11.971 3.701 1.00 3.11 H new ATOM 0 HH12 ARG A 30 17.120 13.550 3.264 1.00 3.11 H new ATOM 0 HH21 ARG A 30 17.717 14.495 6.577 1.00 3.02 H new ATOM 0 HH22 ARG A 30 17.825 14.967 4.878 1.00 3.02 H new ATOM 470 N SER A 31 20.239 7.873 7.925 1.00 0.02 N ATOM 471 CA SER A 31 21.679 7.874 8.333 1.00 0.02 C ATOM 472 C SER A 31 22.549 7.101 7.339 1.00 0.01 C ATOM 473 O SER A 31 23.755 7.243 7.328 1.00 0.02 O ATOM 474 CB SER A 31 21.803 7.225 9.711 1.00 0.37 C ATOM 475 OG SER A 31 23.145 7.342 10.163 1.00 0.88 O ATOM 0 H SER A 31 19.638 7.228 8.439 1.00 0.02 H new ATOM 0 HA SER A 31 22.026 8.907 8.356 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.126 7.708 10.416 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.514 6.175 9.659 1.00 0.37 H new ATOM 0 HG SER A 31 23.744 7.425 9.392 1.00 0.88 H new ATOM 481 N TYR A 32 21.957 6.263 6.531 1.00 0.01 N ATOM 482 CA TYR A 32 22.761 5.448 5.561 1.00 0.01 C ATOM 483 C TYR A 32 22.581 5.981 4.138 1.00 0.02 C ATOM 484 O TYR A 32 23.373 5.699 3.261 1.00 0.02 O ATOM 485 CB TYR A 32 22.273 3.998 5.630 1.00 0.02 C ATOM 486 CG TYR A 32 22.814 3.339 6.882 1.00 0.02 C ATOM 487 CD1 TYR A 32 24.192 3.129 7.024 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.938 2.938 7.902 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.694 2.522 8.181 1.00 0.00 C ATOM 490 CE2 TYR A 32 22.442 2.329 9.058 1.00 0.02 C ATOM 491 CZ TYR A 32 23.819 2.121 9.198 1.00 0.02 C ATOM 492 OH TYR A 32 24.314 1.519 10.336 1.00 0.02 O ATOM 0 H TYR A 32 20.950 6.104 6.497 1.00 0.01 H new ATOM 0 HA TYR A 32 23.818 5.508 5.820 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.183 3.970 5.634 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.603 3.450 4.747 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.868 3.436 6.240 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.875 3.099 7.796 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.757 2.363 8.289 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.767 2.019 9.842 1.00 0.02 H new ATOM 0 HH TYR A 32 23.574 1.304 10.941 1.00 0.02 H new ATOM 502 N LEU A 33 21.537 6.721 3.888 1.00 0.02 N ATOM 503 CA LEU A 33 21.302 7.236 2.503 1.00 0.02 C ATOM 504 C LEU A 33 20.583 8.587 2.576 1.00 0.02 C ATOM 505 O LEU A 33 19.571 8.735 3.229 1.00 0.02 O ATOM 506 CB LEU A 33 20.400 6.230 1.764 1.00 1.66 C ATOM 507 CG LEU A 33 20.605 6.343 0.238 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.819 5.512 -0.200 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.361 5.825 -0.491 1.00 2.80 C ATOM 0 H LEU A 33 20.836 6.993 4.578 1.00 0.02 H new ATOM 0 HA LEU A 33 22.251 7.358 1.981 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.628 5.217 2.094 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.355 6.418 2.012 1.00 1.66 H new ATOM 0 HG LEU A 33 20.774 7.390 -0.012 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.951 5.601 -1.278 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.712 5.878 0.307 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.657 4.466 0.060 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.510 5.907 -1.568 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.192 4.781 -0.226 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.495 6.418 -0.199 1.00 2.80 H new ATOM 521 N SER A 34 21.125 9.581 1.917 1.00 0.02 N ATOM 522 CA SER A 34 20.511 10.939 1.948 1.00 0.02 C ATOM 523 C SER A 34 19.448 11.086 0.855 1.00 0.00 C ATOM 524 O SER A 34 18.679 12.027 0.856 1.00 0.01 O ATOM 525 CB SER A 34 21.602 11.989 1.734 1.00 0.02 C ATOM 526 OG SER A 34 22.190 11.799 0.454 1.00 0.02 O ATOM 0 H SER A 34 21.973 9.506 1.355 1.00 0.02 H new ATOM 0 HA SER A 34 20.033 11.081 2.917 1.00 0.02 H new ATOM 0 HB2 SER A 34 21.179 12.991 1.808 1.00 0.02 H new ATOM 0 HB3 SER A 34 22.361 11.906 2.512 1.00 0.02 H new ATOM 0 HG SER A 34 22.889 12.471 0.312 1.00 0.02 H new ATOM 532 N ARG A 35 19.396 10.175 -0.084 1.00 0.02 N ATOM 533 CA ARG A 35 18.386 10.268 -1.177 1.00 0.01 C ATOM 534 C ARG A 35 18.451 8.981 -2.010 1.00 0.02 C ATOM 535 O ARG A 35 19.422 8.251 -1.963 1.00 0.02 O ATOM 536 CB ARG A 35 18.702 11.468 -2.071 1.00 0.02 C ATOM 537 CG ARG A 35 20.087 11.288 -2.695 1.00 0.02 C ATOM 538 CD ARG A 35 20.519 12.591 -3.370 1.00 0.02 C ATOM 539 NE ARG A 35 20.527 13.693 -2.368 1.00 0.02 N ATOM 540 CZ ARG A 35 21.141 14.814 -2.637 1.00 0.02 C ATOM 541 NH1 ARG A 35 21.748 14.968 -3.783 1.00 0.00 N ATOM 542 NH2 ARG A 35 21.149 15.781 -1.759 1.00 0.02 N ATOM 0 H ARG A 35 20.015 9.366 -0.139 1.00 0.02 H new ATOM 0 HA ARG A 35 17.390 10.393 -0.753 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.948 11.561 -2.853 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.671 12.388 -1.487 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.809 11.007 -1.928 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.066 10.478 -3.424 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.511 12.475 -3.806 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.838 12.833 -4.186 1.00 0.02 H new ATOM 0 HE ARG A 35 20.053 13.572 -1.473 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.743 14.213 -4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.227 15.844 -3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 35 20.676 15.661 -0.863 1.00 0.02 H new ATOM 0 HH22 ARG A 35 21.628 16.656 -1.969 1.00 0.02 H new ATOM 556 N CYS A 36 17.432 8.699 -2.781 1.00 0.02 N ATOM 557 CA CYS A 36 17.436 7.465 -3.631 1.00 0.02 C ATOM 558 C CYS A 36 16.765 7.784 -4.969 1.00 0.02 C ATOM 559 O CYS A 36 15.595 8.105 -5.000 1.00 0.02 O ATOM 560 CB CYS A 36 16.645 6.367 -2.919 1.00 0.02 C ATOM 561 SG CYS A 36 15.139 7.084 -2.222 1.00 0.02 S ATOM 0 H CYS A 36 16.592 9.272 -2.860 1.00 0.02 H new ATOM 0 HA CYS A 36 18.459 7.130 -3.800 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.394 5.570 -3.619 1.00 0.02 H new ATOM 0 HB3 CYS A 36 17.249 5.919 -2.130 1.00 0.02 H new ATOM 0 HG CYS A 36 15.041 8.328 -2.588 1.00 0.02 H new ATOM 567 N ASN A 37 17.480 7.733 -6.077 1.00 0.02 N ATOM 568 CA ASN A 37 16.845 8.080 -7.393 1.00 0.01 C ATOM 569 C ASN A 37 16.607 6.830 -8.247 1.00 0.02 C ATOM 570 O ASN A 37 16.025 6.896 -9.313 1.00 0.02 O ATOM 571 CB ASN A 37 17.747 9.045 -8.165 1.00 0.02 C ATOM 572 CG ASN A 37 17.766 10.403 -7.459 1.00 0.01 C ATOM 573 OD1 ASN A 37 18.071 10.462 -6.192 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 17.501 11.420 -8.068 1.00 0.02 N flip ATOM 0 H ASN A 37 18.464 7.469 -6.125 1.00 0.02 H new ATOM 0 HA ASN A 37 15.882 8.547 -7.185 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.758 8.642 -8.229 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.385 9.160 -9.187 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.263 11.374 -9.059 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.517 12.320 -7.589 1.00 0.02 H new ATOM 581 N SER A 38 17.020 5.684 -7.769 1.00 0.02 N ATOM 582 CA SER A 38 16.785 4.419 -8.526 1.00 0.02 C ATOM 583 C SER A 38 16.728 3.274 -7.519 1.00 0.01 C ATOM 584 O SER A 38 17.278 3.358 -6.439 1.00 0.02 O ATOM 585 CB SER A 38 17.904 4.176 -9.542 1.00 0.01 C ATOM 586 OG SER A 38 18.006 2.781 -9.801 1.00 0.02 O ATOM 0 H SER A 38 17.512 5.570 -6.883 1.00 0.02 H new ATOM 0 HA SER A 38 15.849 4.487 -9.080 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.696 4.715 -10.466 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.850 4.557 -9.157 1.00 0.01 H new ATOM 0 HG SER A 38 17.150 2.448 -10.142 1.00 0.02 H new ATOM 592 N ILE A 39 16.036 2.208 -7.840 1.00 0.02 N ATOM 593 CA ILE A 39 15.920 1.077 -6.868 1.00 0.02 C ATOM 594 C ILE A 39 15.842 -0.261 -7.602 1.00 0.02 C ATOM 595 O ILE A 39 15.272 -0.376 -8.667 1.00 0.02 O ATOM 596 CB ILE A 39 14.637 1.252 -6.048 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.510 2.707 -5.587 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.682 0.334 -4.824 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.303 2.846 -4.659 1.00 0.00 C ATOM 0 H ILE A 39 15.550 2.073 -8.726 1.00 0.02 H new ATOM 0 HA ILE A 39 16.799 1.083 -6.223 1.00 0.02 H new ATOM 0 HB ILE A 39 13.778 0.993 -6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.418 3.016 -5.069 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.396 3.364 -6.449 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.769 0.459 -4.242 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.765 -0.703 -5.150 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.544 0.591 -4.208 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.213 3.882 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.398 2.555 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.436 2.201 -3.790 1.00 0.00 H new ATOM 611 N ARG A 40 16.382 -1.286 -6.991 1.00 0.02 N ATOM 612 CA ARG A 40 16.323 -2.659 -7.576 1.00 0.02 C ATOM 613 C ARG A 40 15.704 -3.590 -6.533 1.00 0.01 C ATOM 614 O ARG A 40 16.202 -3.703 -5.430 1.00 0.02 O ATOM 615 CB ARG A 40 17.722 -3.166 -7.938 1.00 0.01 C ATOM 616 CG ARG A 40 17.604 -4.409 -8.821 1.00 0.02 C ATOM 617 CD ARG A 40 18.998 -4.852 -9.274 1.00 0.02 C ATOM 618 NE ARG A 40 18.918 -6.225 -9.848 1.00 0.02 N ATOM 619 CZ ARG A 40 19.903 -6.692 -10.565 1.00 0.02 C ATOM 620 NH1 ARG A 40 20.961 -5.956 -10.781 1.00 0.02 N ATOM 621 NH2 ARG A 40 19.833 -7.894 -11.069 1.00 0.02 N ATOM 0 H ARG A 40 16.869 -1.227 -6.097 1.00 0.02 H new ATOM 0 HA ARG A 40 15.726 -2.636 -8.488 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.278 -2.388 -8.461 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.280 -3.403 -7.032 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.117 -5.214 -8.270 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.980 -4.193 -9.688 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.389 -4.157 -10.017 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.688 -4.838 -8.431 1.00 0.02 H new ATOM 0 HE ARG A 40 18.092 -6.800 -9.680 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.017 -5.016 -10.389 1.00 0.02 H new ATOM 0 HH12 ARG A 40 21.731 -6.322 -11.342 1.00 0.02 H new ATOM 0 HH21 ARG A 40 19.007 -8.470 -10.903 1.00 0.02 H new ATOM 0 HH22 ARG A 40 20.604 -8.258 -11.629 1.00 0.02 H new ATOM 635 N VAL A 41 14.660 -4.300 -6.877 1.00 0.02 N ATOM 636 CA VAL A 41 14.060 -5.268 -5.913 1.00 0.01 C ATOM 637 C VAL A 41 14.456 -6.662 -6.390 1.00 0.02 C ATOM 638 O VAL A 41 14.085 -7.081 -7.467 1.00 0.02 O ATOM 639 CB VAL A 41 12.541 -5.114 -5.880 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.978 -5.991 -4.760 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.195 -3.652 -5.585 1.00 0.00 C ATOM 0 H VAL A 41 14.198 -4.250 -7.785 1.00 0.02 H new ATOM 0 HA VAL A 41 14.420 -5.091 -4.900 1.00 0.01 H new ATOM 0 HB VAL A 41 12.116 -5.412 -6.838 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.893 -5.888 -4.728 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.238 -7.033 -4.948 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.401 -5.678 -3.805 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.112 -3.532 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.614 -3.366 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.612 -3.015 -6.365 1.00 0.00 H new ATOM 651 N GLU A 42 15.240 -7.364 -5.614 1.00 0.01 N ATOM 652 CA GLU A 42 15.701 -8.714 -6.040 1.00 0.01 C ATOM 653 C GLU A 42 14.663 -9.762 -5.660 1.00 0.02 C ATOM 654 O GLU A 42 14.477 -10.734 -6.362 1.00 0.01 O ATOM 655 CB GLU A 42 17.040 -9.032 -5.364 1.00 0.99 C ATOM 656 CG GLU A 42 17.766 -10.146 -6.128 1.00 1.86 C ATOM 657 CD GLU A 42 16.973 -11.450 -6.011 1.00 3.10 C ATOM 658 OE1 GLU A 42 16.451 -11.707 -4.939 1.00 3.67 O ATOM 659 OE2 GLU A 42 16.905 -12.170 -6.993 1.00 3.81 O ATOM 0 H GLU A 42 15.580 -7.058 -4.702 1.00 0.01 H new ATOM 0 HA GLU A 42 15.832 -8.727 -7.122 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.662 -8.137 -5.333 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.871 -9.339 -4.332 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.877 -9.869 -7.176 1.00 1.86 H new ATOM 0 HG3 GLU A 42 18.770 -10.282 -5.726 1.00 1.86 H new ATOM 666 N GLY A 43 13.982 -9.598 -4.561 1.00 0.01 N ATOM 667 CA GLY A 43 12.972 -10.628 -4.190 1.00 0.02 C ATOM 668 C GLY A 43 12.013 -10.087 -3.138 1.00 0.02 C ATOM 669 O GLY A 43 12.387 -9.269 -2.320 1.00 0.02 O ATOM 0 H GLY A 43 14.077 -8.814 -3.916 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.414 -10.933 -5.075 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.475 -11.517 -3.808 1.00 0.02 H new ATOM 673 N GLY A 44 10.795 -10.567 -3.131 1.00 0.00 N ATOM 674 CA GLY A 44 9.811 -10.104 -2.111 1.00 0.01 C ATOM 675 C GLY A 44 9.114 -8.824 -2.581 1.00 0.01 C ATOM 676 O GLY A 44 9.496 -8.215 -3.561 1.00 0.01 O ATOM 0 H GLY A 44 10.441 -11.261 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.071 -10.883 -1.931 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.319 -9.922 -1.164 1.00 0.01 H new ATOM 680 N THR A 45 8.108 -8.402 -1.856 1.00 0.01 N ATOM 681 CA THR A 45 7.374 -7.140 -2.201 1.00 0.00 C ATOM 682 C THR A 45 7.546 -6.172 -1.032 1.00 0.01 C ATOM 683 O THR A 45 7.446 -6.565 0.108 1.00 0.01 O ATOM 684 CB THR A 45 5.885 -7.463 -2.396 1.00 0.73 C ATOM 685 OG1 THR A 45 5.726 -8.255 -3.566 1.00 0.88 O ATOM 686 CG2 THR A 45 5.069 -6.174 -2.542 1.00 1.48 C ATOM 0 H THR A 45 7.758 -8.884 -1.028 1.00 0.01 H new ATOM 0 HA THR A 45 7.762 -6.698 -3.119 1.00 0.00 H new ATOM 0 HB THR A 45 5.526 -8.008 -1.523 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.777 -8.465 -3.693 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.017 -6.423 -2.679 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.184 -5.567 -1.644 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.425 -5.614 -3.407 1.00 1.48 H new ATOM 694 N TRP A 46 7.877 -4.926 -1.288 1.00 0.02 N ATOM 695 CA TRP A 46 8.130 -3.970 -0.157 1.00 0.01 C ATOM 696 C TRP A 46 7.286 -2.700 -0.276 1.00 0.01 C ATOM 697 O TRP A 46 6.916 -2.260 -1.345 1.00 0.01 O ATOM 698 CB TRP A 46 9.606 -3.573 -0.181 1.00 0.00 C ATOM 699 CG TRP A 46 10.454 -4.791 -0.008 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.609 -5.768 -0.931 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.264 -5.180 1.140 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.462 -6.730 -0.423 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.892 -6.415 0.850 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.511 -4.587 2.391 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.735 -7.039 1.769 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.360 -5.213 3.318 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.970 -6.436 3.009 1.00 0.01 C ATOM 0 H TRP A 46 7.982 -4.531 -2.223 1.00 0.02 H new ATOM 0 HA TRP A 46 7.860 -4.469 0.774 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.846 -3.081 -1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.814 -2.857 0.614 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.143 -5.792 -1.905 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.740 -7.571 -0.928 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.045 -3.645 2.640 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.203 -7.981 1.525 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.544 -4.749 4.276 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.621 -6.912 3.727 1.00 0.01 H new ATOM 718 N ALA A 47 7.046 -2.086 0.852 1.00 0.01 N ATOM 719 CA ALA A 47 6.299 -0.795 0.905 1.00 0.01 C ATOM 720 C ALA A 47 7.343 0.259 1.278 1.00 0.01 C ATOM 721 O ALA A 47 8.124 0.067 2.189 1.00 0.01 O ATOM 722 CB ALA A 47 5.199 -0.868 1.970 1.00 0.24 C ATOM 0 H ALA A 47 7.345 -2.435 1.763 1.00 0.01 H new ATOM 0 HA ALA A 47 5.811 -0.561 -0.041 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.659 0.079 2.001 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.506 -1.673 1.723 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.648 -1.062 2.944 1.00 0.24 H new ATOM 728 N VAL A 48 7.349 1.374 0.591 1.00 0.01 N ATOM 729 CA VAL A 48 8.331 2.463 0.904 1.00 0.02 C ATOM 730 C VAL A 48 7.574 3.730 1.305 1.00 0.01 C ATOM 731 O VAL A 48 6.521 4.018 0.771 1.00 0.01 O ATOM 732 CB VAL A 48 9.204 2.740 -0.323 1.00 0.09 C ATOM 733 CG1 VAL A 48 10.058 1.509 -0.629 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.308 3.049 -1.526 1.00 0.65 C ATOM 0 H VAL A 48 6.712 1.580 -0.179 1.00 0.01 H new ATOM 0 HA VAL A 48 8.971 2.151 1.729 1.00 0.02 H new ATOM 0 HB VAL A 48 9.853 3.593 -0.123 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.680 1.705 -1.502 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.695 1.286 0.227 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.409 0.657 -0.830 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.928 3.246 -2.400 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.660 2.196 -1.726 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.697 3.925 -1.309 1.00 0.65 H new ATOM 744 N TYR A 49 8.103 4.485 2.240 1.00 0.01 N ATOM 745 CA TYR A 49 7.415 5.741 2.689 1.00 0.01 C ATOM 746 C TYR A 49 8.332 6.946 2.464 1.00 0.01 C ATOM 747 O TYR A 49 9.541 6.861 2.545 1.00 0.02 O ATOM 748 CB TYR A 49 7.067 5.623 4.172 1.00 0.01 C ATOM 749 CG TYR A 49 6.139 4.447 4.373 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.646 3.144 4.333 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.776 4.661 4.605 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.789 2.054 4.524 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.919 3.572 4.797 1.00 0.01 C ATOM 754 CZ TYR A 49 4.426 2.268 4.756 1.00 0.02 C ATOM 755 OH TYR A 49 3.580 1.192 4.946 1.00 0.01 O ATOM 0 H TYR A 49 8.984 4.285 2.713 1.00 0.01 H new ATOM 0 HA TYR A 49 6.501 5.881 2.111 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.974 5.490 4.761 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.592 6.540 4.520 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.698 2.979 4.155 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.385 5.667 4.636 1.00 0.01 H new ATOM 0 HE1 TYR A 49 6.180 1.048 4.492 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.867 3.737 4.977 1.00 0.01 H new ATOM 0 HH TYR A 49 2.709 1.385 4.541 1.00 0.01 H new ATOM 765 N GLU A 50 7.741 8.058 2.123 1.00 0.01 N ATOM 766 CA GLU A 50 8.523 9.290 1.815 1.00 0.01 C ATOM 767 C GLU A 50 9.235 9.841 3.056 1.00 0.01 C ATOM 768 O GLU A 50 10.298 10.421 2.942 1.00 0.02 O ATOM 769 CB GLU A 50 7.557 10.352 1.282 1.00 0.02 C ATOM 770 CG GLU A 50 8.353 11.481 0.627 1.00 0.01 C ATOM 771 CD GLU A 50 7.432 12.676 0.374 1.00 0.02 C ATOM 772 OE1 GLU A 50 7.023 13.298 1.340 1.00 0.02 O ATOM 773 OE2 GLU A 50 7.150 12.949 -0.780 1.00 0.01 O ATOM 0 H GLU A 50 6.730 8.167 2.043 1.00 0.01 H new ATOM 0 HA GLU A 50 9.286 9.040 1.078 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.874 9.907 0.559 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.948 10.746 2.095 1.00 0.02 H new ATOM 0 HG2 GLU A 50 9.181 11.777 1.271 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.786 11.137 -0.312 1.00 0.01 H new ATOM 780 N ARG A 51 8.659 9.707 4.232 1.00 0.02 N ATOM 781 CA ARG A 51 9.317 10.273 5.463 1.00 0.02 C ATOM 782 C ARG A 51 9.517 9.152 6.505 1.00 0.01 C ATOM 783 O ARG A 51 8.839 8.140 6.463 1.00 0.02 O ATOM 784 CB ARG A 51 8.385 11.368 6.036 1.00 0.02 C ATOM 785 CG ARG A 51 8.805 12.749 5.518 1.00 0.01 C ATOM 786 CD ARG A 51 7.706 13.766 5.829 1.00 0.02 C ATOM 787 NE ARG A 51 8.180 15.132 5.469 1.00 0.02 N ATOM 788 CZ ARG A 51 7.326 16.113 5.372 1.00 0.02 C ATOM 789 NH1 ARG A 51 6.058 15.897 5.591 1.00 0.02 N ATOM 790 NH2 ARG A 51 7.738 17.308 5.054 1.00 0.01 N ATOM 0 H ARG A 51 7.770 9.235 4.394 1.00 0.02 H new ATOM 0 HA ARG A 51 10.291 10.696 5.219 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.353 11.163 5.750 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.423 11.354 7.125 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.741 13.055 5.985 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.983 12.707 4.443 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.802 13.524 5.270 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.447 13.726 6.887 1.00 0.02 H new ATOM 0 HE ARG A 51 9.172 15.300 5.299 1.00 0.02 H new ATOM 0 HH11 ARG A 51 5.735 14.961 5.838 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.390 16.664 5.515 1.00 0.02 H new ATOM 0 HH21 ARG A 51 8.729 17.477 4.881 1.00 0.01 H new ATOM 0 HH22 ARG A 51 7.069 18.075 4.978 1.00 0.01 H new ATOM 804 N PRO A 52 10.446 9.334 7.437 1.00 0.02 N ATOM 805 CA PRO A 52 10.718 8.303 8.482 1.00 0.02 C ATOM 806 C PRO A 52 9.455 7.881 9.242 1.00 0.01 C ATOM 807 O PRO A 52 8.435 8.541 9.219 1.00 0.02 O ATOM 808 CB PRO A 52 11.732 9.013 9.409 1.00 0.02 C ATOM 809 CG PRO A 52 11.929 10.454 8.901 1.00 0.01 C ATOM 810 CD PRO A 52 11.288 10.565 7.509 1.00 0.01 C ATOM 0 HA PRO A 52 11.092 7.370 8.060 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.367 9.020 10.436 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.682 8.479 9.412 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.471 11.165 9.588 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.990 10.698 8.851 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.690 11.471 7.409 1.00 0.01 H new ATOM 0 HD3 PRO A 52 12.038 10.590 6.718 1.00 0.01 H new ATOM 818 N ASN A 53 9.562 6.782 9.944 1.00 0.02 N ATOM 819 CA ASN A 53 8.425 6.277 10.764 1.00 0.02 C ATOM 820 C ASN A 53 7.236 5.893 9.883 1.00 0.01 C ATOM 821 O ASN A 53 6.090 6.073 10.242 1.00 0.01 O ATOM 822 CB ASN A 53 8.008 7.358 11.767 1.00 0.01 C ATOM 823 CG ASN A 53 9.255 8.047 12.324 1.00 0.02 C ATOM 824 OD1 ASN A 53 9.494 9.290 12.009 1.00 0.02 O flip ATOM 825 ND2 ASN A 53 10.020 7.447 13.052 1.00 0.01 N flip ATOM 0 H ASN A 53 10.403 6.206 9.983 1.00 0.02 H new ATOM 0 HA ASN A 53 8.748 5.383 11.296 1.00 0.02 H new ATOM 0 HB2 ASN A 53 7.362 8.089 11.282 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.432 6.913 12.579 1.00 0.01 H new ATOM 0 HD21 ASN A 53 9.833 6.475 13.298 1.00 0.01 H new ATOM 0 HD22 ASN A 53 10.849 7.915 13.417 1.00 0.01 H new ATOM 832 N PHE A 54 7.515 5.337 8.734 1.00 0.02 N ATOM 833 CA PHE A 54 6.428 4.903 7.815 1.00 0.01 C ATOM 834 C PHE A 54 5.347 5.981 7.707 1.00 0.01 C ATOM 835 O PHE A 54 4.171 5.722 7.875 1.00 0.02 O ATOM 836 CB PHE A 54 5.819 3.600 8.339 1.00 1.78 C ATOM 837 CG PHE A 54 6.922 2.709 8.868 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.898 2.214 7.994 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.970 2.375 10.228 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.920 1.388 8.477 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.993 1.548 10.712 1.00 3.32 C ATOM 842 CZ PHE A 54 8.968 1.056 9.836 1.00 3.39 C ATOM 0 H PHE A 54 8.460 5.164 8.392 1.00 0.02 H new ATOM 0 HA PHE A 54 6.846 4.741 6.821 1.00 0.01 H new ATOM 0 HB2 PHE A 54 5.098 3.814 9.128 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.277 3.092 7.541 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.862 2.470 6.945 1.00 2.53 H new ATOM 0 HD2 PHE A 54 6.218 2.755 10.904 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.671 1.007 7.801 1.00 3.03 H new ATOM 0 HE2 PHE A 54 8.029 1.290 11.760 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.757 0.420 10.209 1.00 3.39 H new ATOM 852 N SER A 55 5.758 7.193 7.426 1.00 0.02 N ATOM 853 CA SER A 55 4.784 8.327 7.297 1.00 0.02 C ATOM 854 C SER A 55 4.974 9.021 5.945 1.00 0.01 C ATOM 855 O SER A 55 5.974 8.836 5.277 1.00 0.01 O ATOM 856 CB SER A 55 5.038 9.334 8.421 1.00 1.90 C ATOM 857 OG SER A 55 4.294 10.517 8.171 1.00 2.33 O ATOM 0 H SER A 55 6.734 7.450 7.279 1.00 0.02 H new ATOM 0 HA SER A 55 3.766 7.942 7.365 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.749 8.905 9.381 1.00 1.90 H new ATOM 0 HB3 SER A 55 6.101 9.566 8.483 1.00 1.90 H new ATOM 0 HG SER A 55 4.454 11.162 8.891 1.00 2.33 H new ATOM 863 N GLY A 56 4.013 9.807 5.523 1.00 0.02 N ATOM 864 CA GLY A 56 4.124 10.500 4.205 1.00 0.02 C ATOM 865 C GLY A 56 3.551 9.607 3.096 1.00 0.02 C ATOM 866 O GLY A 56 2.793 8.694 3.355 1.00 0.00 O ATOM 0 H GLY A 56 3.154 9.998 6.038 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.586 11.447 4.236 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.168 10.733 3.994 1.00 0.02 H new ATOM 870 N HIS A 57 3.885 9.877 1.862 1.00 0.02 N ATOM 871 CA HIS A 57 3.334 9.058 0.738 1.00 0.02 C ATOM 872 C HIS A 57 3.857 7.621 0.820 1.00 0.01 C ATOM 873 O HIS A 57 5.006 7.392 1.137 1.00 0.01 O ATOM 874 CB HIS A 57 3.751 9.687 -0.592 1.00 0.00 C ATOM 875 CG HIS A 57 2.995 10.970 -0.799 1.00 0.01 C ATOM 876 ND1 HIS A 57 1.632 10.991 -1.045 1.00 0.01 N ATOM 877 CD2 HIS A 57 3.396 12.284 -0.796 1.00 0.01 C ATOM 878 CE1 HIS A 57 1.264 12.277 -1.181 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.301 13.108 -1.039 1.00 0.01 N ATOM 0 H HIS A 57 4.515 10.629 1.582 1.00 0.02 H new ATOM 0 HA HIS A 57 2.247 9.035 0.810 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.824 9.880 -0.595 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.549 8.997 -1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.407 12.626 -0.630 1.00 0.01 H new ATOM 0 HE1 HIS A 57 0.253 12.599 -1.381 1.00 0.02 H new ATOM 0 HE2 HIS A 57 2.292 14.126 -1.096 1.00 0.01 H new ATOM 887 N MET A 58 3.013 6.651 0.532 1.00 0.02 N ATOM 888 CA MET A 58 3.437 5.210 0.586 1.00 0.02 C ATOM 889 C MET A 58 3.298 4.570 -0.804 1.00 0.01 C ATOM 890 O MET A 58 2.334 4.792 -1.510 1.00 0.01 O ATOM 891 CB MET A 58 2.538 4.462 1.575 1.00 2.61 C ATOM 892 CG MET A 58 2.913 2.980 1.595 1.00 3.46 C ATOM 893 SD MET A 58 2.036 2.160 2.948 1.00 4.50 S ATOM 894 CE MET A 58 0.486 1.863 2.065 1.00 5.01 C ATOM 0 H MET A 58 2.041 6.799 0.260 1.00 0.02 H new ATOM 0 HA MET A 58 4.477 5.152 0.906 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.646 4.888 2.573 1.00 2.61 H new ATOM 0 HB3 MET A 58 1.492 4.578 1.290 1.00 2.61 H new ATOM 0 HG2 MET A 58 2.654 2.515 0.644 1.00 3.46 H new ATOM 0 HG3 MET A 58 3.990 2.867 1.723 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.198 1.308 2.707 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.034 2.817 1.792 1.00 5.01 H new ATOM 0 HE3 MET A 58 0.686 1.285 1.163 1.00 5.01 H new ATOM 904 N TYR A 59 4.262 3.772 -1.195 1.00 0.02 N ATOM 905 CA TYR A 59 4.220 3.094 -2.535 1.00 0.01 C ATOM 906 C TYR A 59 4.601 1.614 -2.380 1.00 0.01 C ATOM 907 O TYR A 59 5.528 1.268 -1.677 1.00 0.02 O ATOM 908 CB TYR A 59 5.221 3.762 -3.477 1.00 0.01 C ATOM 909 CG TYR A 59 4.963 5.248 -3.527 1.00 0.01 C ATOM 910 CD1 TYR A 59 5.484 6.081 -2.532 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.207 5.792 -4.573 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.251 7.459 -2.581 1.00 0.01 C ATOM 913 CE2 TYR A 59 3.973 7.171 -4.622 1.00 0.02 C ATOM 914 CZ TYR A 59 4.496 8.005 -3.625 1.00 0.01 C ATOM 915 OH TYR A 59 4.267 9.364 -3.672 1.00 0.01 O ATOM 0 H TYR A 59 5.088 3.557 -0.637 1.00 0.02 H new ATOM 0 HA TYR A 59 3.212 3.175 -2.942 1.00 0.01 H new ATOM 0 HB2 TYR A 59 6.238 3.572 -3.136 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.135 3.335 -4.476 1.00 0.01 H new ATOM 0 HD1 TYR A 59 6.066 5.660 -1.726 1.00 0.01 H new ATOM 0 HD2 TYR A 59 3.805 5.148 -5.341 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.654 8.102 -1.813 1.00 0.01 H new ATOM 0 HE2 TYR A 59 3.390 7.592 -5.428 1.00 0.02 H new ATOM 0 HH TYR A 59 3.727 9.578 -4.461 1.00 0.01 H new ATOM 925 N ILE A 60 3.884 0.741 -3.051 1.00 0.02 N ATOM 926 CA ILE A 60 4.185 -0.725 -2.979 1.00 0.01 C ATOM 927 C ILE A 60 5.080 -1.099 -4.167 1.00 0.01 C ATOM 928 O ILE A 60 4.808 -0.726 -5.291 1.00 0.01 O ATOM 929 CB ILE A 60 2.877 -1.532 -3.058 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.830 -0.985 -2.059 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.166 -3.007 -2.758 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.132 -1.448 -0.625 1.00 1.72 C ATOM 0 H ILE A 60 3.096 0.985 -3.651 1.00 0.02 H new ATOM 0 HA ILE A 60 4.688 -0.951 -2.039 1.00 0.01 H new ATOM 0 HB ILE A 60 2.469 -1.437 -4.064 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.822 0.104 -2.098 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.835 -1.322 -2.350 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.239 -3.578 -2.814 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.876 -3.395 -3.489 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.589 -3.099 -1.758 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.379 -1.047 0.053 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.115 -2.537 -0.583 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.117 -1.089 -0.326 1.00 1.72 H new ATOM 944 N LEU A 61 6.161 -1.808 -3.925 1.00 0.01 N ATOM 945 CA LEU A 61 7.101 -2.180 -5.039 1.00 0.01 C ATOM 946 C LEU A 61 7.233 -3.725 -5.164 1.00 0.01 C ATOM 947 O LEU A 61 7.824 -4.353 -4.304 1.00 0.00 O ATOM 948 CB LEU A 61 8.491 -1.582 -4.711 1.00 0.01 C ATOM 949 CG LEU A 61 8.705 -0.244 -5.448 1.00 0.02 C ATOM 950 CD1 LEU A 61 10.016 0.387 -4.964 1.00 0.01 C ATOM 951 CD2 LEU A 61 8.768 -0.475 -6.978 1.00 0.01 C ATOM 0 H LEU A 61 6.434 -2.146 -3.002 1.00 0.01 H new ATOM 0 HA LEU A 61 6.714 -1.791 -5.981 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.580 -1.427 -3.636 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.271 -2.288 -4.997 1.00 0.01 H new ATOM 0 HG LEU A 61 7.870 0.423 -5.233 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.176 1.334 -5.480 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.960 0.564 -3.890 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.845 -0.287 -5.178 1.00 0.01 H new ATOM 0 HD21 LEU A 61 8.919 0.479 -7.484 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.596 -1.145 -7.211 1.00 0.01 H new ATOM 0 HD23 LEU A 61 7.833 -0.921 -7.317 1.00 0.01 H new ATOM 963 N PRO A 62 6.736 -4.348 -6.229 1.00 0.02 N ATOM 964 CA PRO A 62 6.904 -5.822 -6.394 1.00 0.01 C ATOM 965 C PRO A 62 8.328 -6.141 -6.886 1.00 0.00 C ATOM 966 O PRO A 62 9.069 -5.258 -7.267 1.00 0.02 O ATOM 967 CB PRO A 62 5.849 -6.154 -7.460 1.00 1.47 C ATOM 968 CG PRO A 62 5.482 -4.845 -8.182 1.00 1.29 C ATOM 969 CD PRO A 62 5.974 -3.663 -7.321 1.00 0.82 C ATOM 0 HA PRO A 62 6.777 -6.396 -5.476 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.239 -6.885 -8.169 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.966 -6.597 -6.999 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.943 -4.814 -9.169 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.404 -4.783 -8.332 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.606 -2.982 -7.891 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.145 -3.075 -6.929 1.00 0.82 H new ATOM 977 N GLN A 63 8.722 -7.386 -6.876 1.00 0.02 N ATOM 978 CA GLN A 63 10.100 -7.738 -7.339 1.00 0.00 C ATOM 979 C GLN A 63 10.354 -7.178 -8.742 1.00 0.00 C ATOM 980 O GLN A 63 9.485 -7.203 -9.591 1.00 0.02 O ATOM 981 CB GLN A 63 10.240 -9.264 -7.370 1.00 1.27 C ATOM 982 CG GLN A 63 11.696 -9.654 -7.666 1.00 1.67 C ATOM 983 CD GLN A 63 11.976 -9.509 -9.163 1.00 2.43 C ATOM 984 OE1 GLN A 63 12.944 -8.889 -9.553 1.00 4.25 O ATOM 985 NE2 GLN A 63 11.163 -10.057 -10.024 1.00 3.04 N ATOM 0 H GLN A 63 8.153 -8.174 -6.568 1.00 0.02 H new ATOM 0 HA GLN A 63 10.828 -7.305 -6.652 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.930 -9.685 -6.414 1.00 1.27 H new ATOM 0 HB3 GLN A 63 9.581 -9.682 -8.131 1.00 1.27 H new ATOM 0 HG2 GLN A 63 12.375 -9.020 -7.096 1.00 1.67 H new ATOM 0 HG3 GLN A 63 11.879 -10.681 -7.350 1.00 1.67 H new ATOM 0 HE21 GLN A 63 10.349 -10.578 -9.697 1.00 3.04 H new ATOM 0 HE22 GLN A 63 11.341 -9.964 -11.024 1.00 3.04 H new ATOM 994 N GLY A 64 11.540 -6.679 -9.003 1.00 0.02 N ATOM 995 CA GLY A 64 11.828 -6.135 -10.364 1.00 0.01 C ATOM 996 C GLY A 64 12.955 -5.099 -10.304 1.00 0.02 C ATOM 997 O GLY A 64 13.537 -4.848 -9.267 1.00 0.02 O ATOM 0 H GLY A 64 12.312 -6.626 -8.338 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.109 -6.947 -11.034 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.928 -5.678 -10.777 1.00 0.01 H new ATOM 1001 N GLU A 65 13.271 -4.499 -11.426 1.00 0.02 N ATOM 1002 CA GLU A 65 14.365 -3.477 -11.474 1.00 0.02 C ATOM 1003 C GLU A 65 13.797 -2.131 -11.923 1.00 0.02 C ATOM 1004 O GLU A 65 13.103 -2.029 -12.916 1.00 0.02 O ATOM 1005 CB GLU A 65 15.427 -3.933 -12.478 1.00 0.77 C ATOM 1006 CG GLU A 65 16.525 -2.871 -12.576 1.00 0.49 C ATOM 1007 CD GLU A 65 17.729 -3.450 -13.322 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.559 -3.846 -14.464 1.00 0.96 O ATOM 1009 OE2 GLU A 65 18.801 -3.488 -12.738 1.00 0.71 O ATOM 0 H GLU A 65 12.813 -4.675 -12.320 1.00 0.02 H new ATOM 0 HA GLU A 65 14.806 -3.370 -10.483 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.854 -4.885 -12.164 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.973 -4.094 -13.456 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.149 -1.991 -13.098 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.823 -2.547 -11.579 1.00 0.49 H new ATOM 1016 N TYR A 66 14.112 -1.089 -11.191 1.00 0.02 N ATOM 1017 CA TYR A 66 13.635 0.282 -11.540 1.00 0.02 C ATOM 1018 C TYR A 66 14.872 1.176 -11.757 1.00 0.02 C ATOM 1019 O TYR A 66 15.448 1.665 -10.798 1.00 0.02 O ATOM 1020 CB TYR A 66 12.818 0.823 -10.366 1.00 0.01 C ATOM 1021 CG TYR A 66 11.627 -0.078 -10.148 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.757 -1.233 -9.369 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.395 0.238 -10.732 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.654 -2.073 -9.175 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.292 -0.603 -10.539 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.422 -1.758 -9.760 1.00 0.02 C ATOM 1027 OH TYR A 66 8.335 -2.587 -9.571 1.00 0.01 O ATOM 0 H TYR A 66 14.690 -1.135 -10.352 1.00 0.02 H new ATOM 0 HA TYR A 66 13.020 0.266 -12.440 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.431 0.863 -9.466 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.488 1.841 -10.573 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.708 -1.476 -8.918 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.295 1.131 -11.332 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.754 -2.965 -8.574 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.342 -0.360 -10.991 1.00 0.02 H new ATOM 0 HH TYR A 66 7.559 -2.222 -10.045 1.00 0.01 H new ATOM 1037 N PRO A 67 15.312 1.381 -12.989 1.00 0.01 N ATOM 1038 CA PRO A 67 16.522 2.215 -13.236 1.00 0.02 C ATOM 1039 C PRO A 67 16.308 3.706 -12.944 1.00 0.02 C ATOM 1040 O PRO A 67 17.235 4.487 -13.018 1.00 0.02 O ATOM 1041 CB PRO A 67 16.812 1.967 -14.732 1.00 0.02 C ATOM 1042 CG PRO A 67 15.649 1.146 -15.329 1.00 0.02 C ATOM 1043 CD PRO A 67 14.656 0.805 -14.200 1.00 0.01 C ATOM 0 HA PRO A 67 17.345 1.944 -12.575 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.916 2.915 -15.260 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.754 1.431 -14.851 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.149 1.714 -16.114 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.027 0.233 -15.788 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.676 1.248 -14.377 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.507 -0.271 -14.105 1.00 0.01 H new ATOM 1051 N GLU A 68 15.119 4.116 -12.598 1.00 0.01 N ATOM 1052 CA GLU A 68 14.897 5.559 -12.292 1.00 0.01 C ATOM 1053 C GLU A 68 13.658 5.668 -11.406 1.00 0.03 C ATOM 1054 O GLU A 68 12.798 4.810 -11.399 1.00 0.02 O ATOM 1055 CB GLU A 68 14.658 6.342 -13.587 1.00 0.69 C ATOM 1056 CG GLU A 68 15.950 6.411 -14.405 1.00 1.09 C ATOM 1057 CD GLU A 68 15.809 7.476 -15.494 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.724 8.019 -15.627 1.00 2.02 O ATOM 1059 OE2 GLU A 68 16.788 7.731 -16.178 1.00 1.55 O ATOM 0 H GLU A 68 14.296 3.520 -12.514 1.00 0.01 H new ATOM 0 HA GLU A 68 15.772 5.971 -11.789 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.873 5.862 -14.172 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.312 7.349 -13.354 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.792 6.650 -13.755 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.160 5.441 -14.855 1.00 1.09 H new ATOM 1066 N TYR A 69 13.589 6.705 -10.623 1.00 0.02 N ATOM 1067 CA TYR A 69 12.444 6.855 -9.686 1.00 0.02 C ATOM 1068 C TYR A 69 11.105 6.905 -10.428 1.00 0.01 C ATOM 1069 O TYR A 69 10.115 6.366 -9.974 1.00 0.01 O ATOM 1070 CB TYR A 69 12.642 8.101 -8.814 1.00 0.02 C ATOM 1071 CG TYR A 69 12.592 9.352 -9.663 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.702 9.728 -10.430 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.434 10.142 -9.675 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.656 10.892 -11.207 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.388 11.306 -10.454 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.498 11.681 -11.219 1.00 0.02 C ATOM 1077 OH TYR A 69 12.452 12.828 -11.984 1.00 0.01 O ATOM 0 H TYR A 69 14.277 7.457 -10.591 1.00 0.02 H new ATOM 0 HA TYR A 69 12.415 5.976 -9.042 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.868 8.143 -8.047 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.600 8.043 -8.297 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.594 9.120 -10.422 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.577 9.854 -9.084 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.513 11.182 -11.797 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.495 11.914 -10.464 1.00 0.02 H new ATOM 0 HH TYR A 69 11.577 13.256 -11.879 1.00 0.01 H new ATOM 1087 N GLN A 70 11.061 7.549 -11.565 1.00 0.01 N ATOM 1088 CA GLN A 70 9.788 7.630 -12.337 1.00 0.02 C ATOM 1089 C GLN A 70 9.309 6.226 -12.729 1.00 0.01 C ATOM 1090 O GLN A 70 8.138 5.998 -12.964 1.00 0.02 O ATOM 1091 CB GLN A 70 10.019 8.446 -13.613 1.00 0.01 C ATOM 1092 CG GLN A 70 10.552 9.833 -13.250 1.00 0.01 C ATOM 1093 CD GLN A 70 9.420 10.679 -12.660 1.00 0.02 C ATOM 1094 OE1 GLN A 70 8.998 10.457 -11.544 1.00 0.01 O ATOM 1095 NE2 GLN A 70 8.908 11.646 -13.370 1.00 0.02 N ATOM 0 H GLN A 70 11.856 8.024 -11.993 1.00 0.01 H new ATOM 0 HA GLN A 70 9.032 8.107 -11.714 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.728 7.932 -14.261 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.087 8.539 -14.170 1.00 0.01 H new ATOM 0 HG2 GLN A 70 11.366 9.744 -12.531 1.00 0.01 H new ATOM 0 HG3 GLN A 70 10.960 10.320 -14.135 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.262 11.833 -14.308 1.00 0.02 H new ATOM 0 HE22 GLN A 70 8.153 12.215 -12.987 1.00 0.02 H new ATOM 1104 N ARG A 71 10.214 5.281 -12.796 1.00 0.01 N ATOM 1105 CA ARG A 71 9.816 3.893 -13.167 1.00 0.02 C ATOM 1106 C ARG A 71 9.008 3.286 -12.019 1.00 0.01 C ATOM 1107 O ARG A 71 8.298 2.315 -12.182 1.00 0.02 O ATOM 1108 CB ARG A 71 11.066 3.042 -13.429 1.00 0.34 C ATOM 1109 CG ARG A 71 10.684 1.752 -14.182 1.00 0.72 C ATOM 1110 CD ARG A 71 10.662 2.005 -15.695 1.00 1.04 C ATOM 1111 NE ARG A 71 11.994 2.506 -16.135 1.00 1.67 N ATOM 1112 CZ ARG A 71 12.306 2.504 -17.403 1.00 2.47 C ATOM 1113 NH1 ARG A 71 11.451 2.062 -18.285 1.00 2.54 N ATOM 1114 NH2 ARG A 71 13.474 2.942 -17.788 1.00 3.42 N ATOM 0 H ARG A 71 11.208 5.413 -12.610 1.00 0.01 H new ATOM 0 HA ARG A 71 9.211 3.915 -14.073 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.787 3.613 -14.014 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.548 2.791 -12.484 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.398 0.962 -13.949 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.705 1.405 -13.850 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.415 1.085 -16.225 1.00 1.04 H new ATOM 0 HD3 ARG A 71 9.889 2.732 -15.942 1.00 1.04 H new ATOM 0 HE ARG A 71 12.662 2.851 -15.446 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.539 1.718 -17.984 1.00 2.54 H new ATOM 0 HH12 ARG A 71 11.695 2.060 -19.275 1.00 2.54 H new ATOM 0 HH21 ARG A 71 14.142 3.286 -17.098 1.00 3.42 H new ATOM 0 HH22 ARG A 71 13.718 2.941 -18.778 1.00 3.42 H new ATOM 1128 N TRP A 72 9.125 3.871 -10.857 1.00 0.02 N ATOM 1129 CA TRP A 72 8.391 3.376 -9.655 1.00 0.01 C ATOM 1130 C TRP A 72 7.285 4.394 -9.338 1.00 0.01 C ATOM 1131 O TRP A 72 6.641 4.347 -8.310 1.00 0.02 O ATOM 1132 CB TRP A 72 9.423 3.245 -8.511 1.00 0.02 C ATOM 1133 CG TRP A 72 8.829 3.532 -7.167 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.839 2.825 -6.576 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.194 4.588 -6.234 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.566 3.388 -5.342 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.378 4.477 -5.086 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.145 5.623 -6.277 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.502 5.363 -4.016 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.272 6.515 -5.202 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.453 6.386 -4.073 1.00 0.02 C ATOM 0 H TRP A 72 9.711 4.688 -10.687 1.00 0.02 H new ATOM 0 HA TRP A 72 7.922 2.404 -9.806 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.837 2.237 -8.514 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.251 3.930 -8.693 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.343 1.963 -6.998 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.853 3.042 -4.700 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.781 5.732 -7.143 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.867 5.259 -3.149 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 11.006 7.306 -5.245 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.556 7.076 -3.248 1.00 0.02 H new ATOM 1152 N MET A 73 7.067 5.310 -10.240 1.00 0.02 N ATOM 1153 CA MET A 73 6.014 6.344 -10.037 1.00 0.02 C ATOM 1154 C MET A 73 6.320 7.187 -8.791 1.00 0.01 C ATOM 1155 O MET A 73 5.447 7.805 -8.213 1.00 0.02 O ATOM 1156 CB MET A 73 4.650 5.662 -9.877 1.00 0.02 C ATOM 1157 CG MET A 73 4.523 4.523 -10.892 1.00 0.01 C ATOM 1158 SD MET A 73 2.784 4.046 -11.048 1.00 0.01 S ATOM 1159 CE MET A 73 3.024 2.705 -12.240 1.00 0.01 C ATOM 0 H MET A 73 7.579 5.387 -11.119 1.00 0.02 H new ATOM 0 HA MET A 73 5.995 7.001 -10.906 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.543 5.274 -8.864 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.850 6.387 -10.027 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.913 4.839 -11.860 1.00 0.01 H new ATOM 0 HG3 MET A 73 5.119 3.668 -10.572 1.00 0.01 H new ATOM 0 HE1 MET A 73 2.060 2.258 -12.484 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.480 3.102 -13.147 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.677 1.946 -11.808 1.00 0.01 H new ATOM 1169 N GLY A 74 7.561 7.208 -8.377 1.00 0.02 N ATOM 1170 CA GLY A 74 7.934 8.002 -7.173 1.00 0.02 C ATOM 1171 C GLY A 74 7.587 9.470 -7.409 1.00 0.01 C ATOM 1172 O GLY A 74 7.740 9.983 -8.500 1.00 0.01 O ATOM 0 H GLY A 74 8.331 6.709 -8.822 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.404 7.627 -6.298 1.00 0.02 H new ATOM 0 HA3 GLY A 74 9.000 7.897 -6.969 1.00 0.02 H new ATOM 1176 N LEU A 75 7.162 10.165 -6.388 1.00 0.02 N ATOM 1177 CA LEU A 75 6.855 11.615 -6.559 1.00 0.02 C ATOM 1178 C LEU A 75 8.184 12.381 -6.529 1.00 0.01 C ATOM 1179 O LEU A 75 8.350 13.392 -7.181 1.00 0.02 O ATOM 1180 CB LEU A 75 5.932 12.083 -5.427 1.00 0.55 C ATOM 1181 CG LEU A 75 5.762 13.609 -5.470 1.00 0.58 C ATOM 1182 CD1 LEU A 75 5.287 14.049 -6.861 1.00 0.98 C ATOM 1183 CD2 LEU A 75 4.724 14.022 -4.422 1.00 0.42 C ATOM 0 H LEU A 75 7.015 9.795 -5.449 1.00 0.02 H new ATOM 0 HA LEU A 75 6.345 11.797 -7.505 1.00 0.02 H new ATOM 0 HB2 LEU A 75 4.959 11.600 -5.519 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.347 11.784 -4.464 1.00 0.55 H new ATOM 0 HG LEU A 75 6.719 14.086 -5.258 1.00 0.58 H new ATOM 0 HD11 LEU A 75 5.170 15.133 -6.880 1.00 0.98 H new ATOM 0 HD12 LEU A 75 6.023 13.751 -7.608 1.00 0.98 H new ATOM 0 HD13 LEU A 75 4.330 13.577 -7.085 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.595 15.104 -4.444 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.772 13.539 -4.643 1.00 0.42 H new ATOM 0 HD23 LEU A 75 5.065 13.717 -3.433 1.00 0.42 H new ATOM 1195 N ASN A 76 9.143 11.879 -5.794 1.00 0.01 N ATOM 1196 CA ASN A 76 10.484 12.514 -5.713 1.00 0.02 C ATOM 1197 C ASN A 76 11.457 11.417 -5.275 1.00 0.02 C ATOM 1198 O ASN A 76 11.091 10.259 -5.219 1.00 0.02 O ATOM 1199 CB ASN A 76 10.467 13.651 -4.687 1.00 0.02 C ATOM 1200 CG ASN A 76 10.155 13.086 -3.300 1.00 0.02 C ATOM 1201 OD1 ASN A 76 9.776 11.939 -3.169 1.00 0.01 O ATOM 1202 ND2 ASN A 76 10.297 13.850 -2.251 1.00 0.02 N ATOM 0 H ASN A 76 9.045 11.033 -5.233 1.00 0.01 H new ATOM 0 HA ASN A 76 10.779 12.941 -6.671 1.00 0.02 H new ATOM 0 HB2 ASN A 76 11.432 14.158 -4.675 1.00 0.02 H new ATOM 0 HB3 ASN A 76 9.719 14.394 -4.965 1.00 0.02 H new ATOM 0 HD21 ASN A 76 10.090 13.484 -1.322 1.00 0.02 H new ATOM 0 HD22 ASN A 76 10.615 14.813 -2.361 1.00 0.02 H new ATOM 1209 N ASP A 77 12.689 11.744 -4.976 1.00 0.01 N ATOM 1210 CA ASP A 77 13.663 10.683 -4.559 1.00 0.01 C ATOM 1211 C ASP A 77 13.780 10.626 -3.032 1.00 0.01 C ATOM 1212 O ASP A 77 14.816 10.271 -2.504 1.00 0.01 O ATOM 1213 CB ASP A 77 15.040 11.009 -5.151 1.00 0.01 C ATOM 1214 CG ASP A 77 15.342 12.494 -4.949 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.536 13.306 -5.375 1.00 0.01 O ATOM 1216 OD2 ASP A 77 16.372 12.796 -4.371 1.00 0.02 O ATOM 0 H ASP A 77 13.063 12.693 -5.001 1.00 0.01 H new ATOM 0 HA ASP A 77 13.308 9.718 -4.922 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.807 10.402 -4.671 1.00 0.01 H new ATOM 0 HB3 ASP A 77 15.059 10.764 -6.213 1.00 0.01 H new ATOM 1221 N ARG A 78 12.745 10.987 -2.309 1.00 0.01 N ATOM 1222 CA ARG A 78 12.830 10.966 -0.811 1.00 0.01 C ATOM 1223 C ARG A 78 12.214 9.680 -0.239 1.00 0.02 C ATOM 1224 O ARG A 78 11.051 9.399 -0.437 1.00 0.02 O ATOM 1225 CB ARG A 78 12.096 12.186 -0.250 1.00 0.43 C ATOM 1226 CG ARG A 78 12.471 12.377 1.223 1.00 0.80 C ATOM 1227 CD ARG A 78 11.775 13.623 1.776 1.00 1.00 C ATOM 1228 NE ARG A 78 11.951 14.775 0.829 1.00 1.30 N ATOM 1229 CZ ARG A 78 13.136 15.196 0.470 1.00 2.30 C ATOM 1230 NH1 ARG A 78 14.210 14.740 1.056 1.00 2.72 N ATOM 1231 NH2 ARG A 78 13.242 16.120 -0.446 1.00 3.20 N ATOM 0 H ARG A 78 11.849 11.294 -2.688 1.00 0.01 H new ATOM 0 HA ARG A 78 13.880 10.995 -0.520 1.00 0.01 H new ATOM 0 HB2 ARG A 78 12.359 13.076 -0.821 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.019 12.052 -0.347 1.00 0.43 H new ATOM 0 HG2 ARG A 78 12.178 11.499 1.799 1.00 0.80 H new ATOM 0 HG3 ARG A 78 13.552 12.478 1.323 1.00 0.80 H new ATOM 0 HD2 ARG A 78 10.714 13.421 1.923 1.00 1.00 H new ATOM 0 HD3 ARG A 78 12.189 13.878 2.752 1.00 1.00 H new ATOM 0 HE ARG A 78 11.124 15.242 0.456 1.00 1.30 H new ATOM 0 HH11 ARG A 78 14.130 14.049 1.802 1.00 2.72 H new ATOM 0 HH12 ARG A 78 15.129 15.075 0.768 1.00 2.72 H new ATOM 0 HH21 ARG A 78 12.404 16.509 -0.877 1.00 3.20 H new ATOM 0 HH22 ARG A 78 14.163 16.453 -0.731 1.00 3.20 H new ATOM 1245 N LEU A 79 12.980 8.925 0.508 1.00 0.01 N ATOM 1246 CA LEU A 79 12.450 7.677 1.152 1.00 0.01 C ATOM 1247 C LEU A 79 13.085 7.565 2.538 1.00 0.01 C ATOM 1248 O LEU A 79 14.294 7.530 2.664 1.00 0.02 O ATOM 1249 CB LEU A 79 12.829 6.441 0.328 1.00 1.04 C ATOM 1250 CG LEU A 79 11.997 6.371 -0.965 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.420 5.133 -1.767 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.488 6.284 -0.636 1.00 2.61 C ATOM 0 H LEU A 79 13.962 9.120 0.703 1.00 0.01 H new ATOM 0 HA LEU A 79 11.363 7.728 1.216 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.890 6.474 0.082 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.667 5.540 0.920 1.00 1.04 H new ATOM 0 HG LEU A 79 12.173 7.274 -1.550 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.835 5.077 -2.685 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.479 5.205 -2.016 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.247 4.237 -1.171 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.916 6.235 -1.562 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.296 5.390 -0.043 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.188 7.166 -0.070 1.00 2.61 H new ATOM 1264 N GLY A 80 12.289 7.550 3.583 1.00 0.02 N ATOM 1265 CA GLY A 80 12.850 7.491 4.972 1.00 0.02 C ATOM 1266 C GLY A 80 12.642 6.117 5.623 1.00 0.02 C ATOM 1267 O GLY A 80 13.302 5.795 6.589 1.00 0.01 O ATOM 0 H GLY A 80 11.271 7.576 3.533 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.915 7.719 4.942 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.377 8.257 5.586 1.00 0.02 H new ATOM 1271 N SER A 81 11.747 5.296 5.133 1.00 0.01 N ATOM 1272 CA SER A 81 11.548 3.962 5.782 1.00 0.01 C ATOM 1273 C SER A 81 10.963 2.966 4.787 1.00 0.02 C ATOM 1274 O SER A 81 10.323 3.327 3.819 1.00 0.01 O ATOM 1275 CB SER A 81 10.589 4.106 6.960 1.00 0.01 C ATOM 1276 OG SER A 81 11.024 5.163 7.793 1.00 0.01 O ATOM 0 H SER A 81 11.154 5.486 4.325 1.00 0.01 H new ATOM 0 HA SER A 81 12.515 3.597 6.128 1.00 0.01 H new ATOM 0 HB2 SER A 81 9.580 4.304 6.599 1.00 0.01 H new ATOM 0 HB3 SER A 81 10.548 3.175 7.526 1.00 0.01 H new ATOM 0 HG SER A 81 10.907 4.909 8.732 1.00 0.01 H new ATOM 1282 N CYS A 82 11.188 1.701 5.032 1.00 0.02 N ATOM 1283 CA CYS A 82 10.654 0.646 4.118 1.00 0.01 C ATOM 1284 C CYS A 82 10.264 -0.593 4.930 1.00 0.01 C ATOM 1285 O CYS A 82 10.877 -0.910 5.929 1.00 0.01 O ATOM 1286 CB CYS A 82 11.722 0.264 3.089 1.00 0.01 C ATOM 1287 SG CYS A 82 13.235 -0.243 3.944 1.00 0.02 S ATOM 0 H CYS A 82 11.721 1.352 5.829 1.00 0.02 H new ATOM 0 HA CYS A 82 9.775 1.033 3.602 1.00 0.01 H new ATOM 0 HB2 CYS A 82 11.360 -0.547 2.458 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.929 1.110 2.433 1.00 0.01 H new ATOM 0 HG CYS A 82 12.927 -0.804 5.075 1.00 0.02 H new ATOM 1293 N ARG A 83 9.254 -1.303 4.496 1.00 0.01 N ATOM 1294 CA ARG A 83 8.815 -2.535 5.227 1.00 0.01 C ATOM 1295 C ARG A 83 8.504 -3.636 4.213 1.00 0.01 C ATOM 1296 O ARG A 83 7.967 -3.388 3.150 1.00 0.01 O ATOM 1297 CB ARG A 83 7.538 -2.239 6.019 1.00 0.01 C ATOM 1298 CG ARG A 83 7.805 -1.110 7.019 1.00 0.01 C ATOM 1299 CD ARG A 83 6.507 -0.746 7.744 1.00 0.01 C ATOM 1300 NE ARG A 83 5.887 -1.979 8.303 1.00 0.01 N ATOM 1301 CZ ARG A 83 4.947 -1.887 9.203 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.550 -0.714 9.617 1.00 0.01 N ATOM 1303 NH2 ARG A 83 4.405 -2.969 9.691 1.00 0.01 N ATOM 0 H ARG A 83 8.710 -1.083 3.662 1.00 0.01 H new ATOM 0 HA ARG A 83 9.609 -2.850 5.904 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.734 -1.955 5.340 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.208 -3.135 6.546 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.561 -1.421 7.740 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.200 -0.237 6.500 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.712 -0.035 8.544 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.817 -0.260 7.054 1.00 0.01 H new ATOM 0 HE ARG A 83 6.197 -2.896 7.982 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.975 0.132 9.237 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.815 -0.643 10.321 1.00 0.01 H new ATOM 0 HH21 ARG A 83 4.716 -3.885 9.369 1.00 0.01 H new ATOM 0 HH22 ARG A 83 3.670 -2.898 10.395 1.00 0.01 H new ATOM 1317 N ALA A 84 8.840 -4.860 4.532 1.00 0.01 N ATOM 1318 CA ALA A 84 8.569 -5.980 3.590 1.00 0.01 C ATOM 1319 C ALA A 84 7.096 -6.377 3.684 1.00 0.01 C ATOM 1320 O ALA A 84 6.549 -6.556 4.755 1.00 0.00 O ATOM 1321 CB ALA A 84 9.435 -7.183 3.964 1.00 0.43 C ATOM 0 H ALA A 84 9.291 -5.129 5.406 1.00 0.01 H new ATOM 0 HA ALA A 84 8.802 -5.662 2.574 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.236 -8.003 3.274 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.488 -6.906 3.905 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.200 -7.499 4.980 1.00 0.43 H new ATOM 1327 N VAL A 85 6.461 -6.531 2.556 1.00 0.01 N ATOM 1328 CA VAL A 85 5.029 -6.935 2.533 1.00 0.01 C ATOM 1329 C VAL A 85 4.946 -8.460 2.468 1.00 0.01 C ATOM 1330 O VAL A 85 5.496 -9.077 1.578 1.00 0.01 O ATOM 1331 CB VAL A 85 4.346 -6.335 1.303 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.843 -6.587 1.386 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.598 -4.827 1.261 1.00 1.12 C ATOM 0 H VAL A 85 6.880 -6.392 1.637 1.00 0.01 H new ATOM 0 HA VAL A 85 4.530 -6.574 3.432 1.00 0.01 H new ATOM 0 HB VAL A 85 4.750 -6.799 0.403 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.354 -6.160 0.510 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.655 -7.660 1.420 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.445 -6.121 2.287 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.111 -4.401 0.384 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.193 -4.365 2.161 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.670 -4.639 1.208 1.00 1.12 H new ATOM 1343 N HIS A 86 4.260 -9.081 3.388 1.00 0.01 N ATOM 1344 CA HIS A 86 4.144 -10.566 3.353 1.00 0.01 C ATOM 1345 C HIS A 86 2.882 -10.937 2.580 1.00 0.01 C ATOM 1346 O HIS A 86 1.815 -10.407 2.819 1.00 0.00 O ATOM 1347 CB HIS A 86 4.036 -11.105 4.781 1.00 0.21 C ATOM 1348 CG HIS A 86 5.236 -10.666 5.575 1.00 0.71 C ATOM 1349 ND1 HIS A 86 5.715 -9.423 5.902 1.00 1.26 N flip ATOM 1350 CD2 HIS A 86 6.115 -11.572 6.147 1.00 1.20 C flip ATOM 1351 CE1 HIS A 86 6.874 -9.551 6.663 1.00 1.77 C flip ATOM 1352 NE2 HIS A 86 7.070 -10.867 6.781 1.00 1.71 N flip ATOM 0 H HIS A 86 3.776 -8.625 4.161 1.00 0.01 H new ATOM 0 HA HIS A 86 5.022 -10.996 2.871 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.123 -10.740 5.251 1.00 0.21 H new ATOM 0 HB3 HIS A 86 3.974 -12.193 4.767 1.00 0.21 H new ATOM 0 HD2 HIS A 86 6.046 -12.648 6.094 1.00 1.20 H new ATOM 0 HE1 HIS A 86 7.483 -8.757 7.070 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.848 -11.286 7.290 1.00 1.71 H new ATOM 1360 N LEU A 87 2.996 -11.848 1.650 1.00 0.01 N ATOM 1361 CA LEU A 87 1.810 -12.268 0.846 1.00 0.01 C ATOM 1362 C LEU A 87 1.232 -13.536 1.475 1.00 0.01 C ATOM 1363 O LEU A 87 1.960 -14.426 1.868 1.00 0.01 O ATOM 1364 CB LEU A 87 2.256 -12.562 -0.605 1.00 0.67 C ATOM 1365 CG LEU A 87 3.460 -11.690 -0.986 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.840 -11.969 -2.443 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.102 -10.208 -0.832 1.00 1.34 C ATOM 0 H LEU A 87 3.866 -12.323 1.411 1.00 0.01 H new ATOM 0 HA LEU A 87 1.057 -11.480 0.834 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.517 -13.616 -0.705 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.430 -12.372 -1.291 1.00 0.67 H new ATOM 0 HG LEU A 87 4.298 -11.926 -0.330 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.695 -11.353 -2.720 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.100 -13.022 -2.556 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.996 -11.732 -3.091 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.962 -9.596 -1.104 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.263 -9.967 -1.485 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.826 -10.006 0.203 1.00 1.34 H new ATOM 1379 N SER A 88 -0.072 -13.637 1.554 1.00 0.01 N ATOM 1380 CA SER A 88 -0.719 -14.854 2.132 1.00 0.01 C ATOM 1381 C SER A 88 -1.432 -15.614 1.013 1.00 0.01 C ATOM 1382 O SER A 88 -2.273 -15.051 0.339 1.00 0.01 O ATOM 1383 CB SER A 88 -1.745 -14.440 3.189 1.00 0.81 C ATOM 1384 OG SER A 88 -2.931 -13.997 2.542 1.00 1.08 O ATOM 0 H SER A 88 -0.723 -12.918 1.238 1.00 0.01 H new ATOM 0 HA SER A 88 0.039 -15.487 2.593 1.00 0.01 H new ATOM 0 HB2 SER A 88 -1.967 -15.281 3.846 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.339 -13.645 3.815 1.00 0.81 H new ATOM 0 HG SER A 88 -2.775 -13.941 1.576 1.00 1.08 H new ATOM 1390 N SER A 89 -1.173 -16.884 0.829 1.00 0.01 N ATOM 1391 CA SER A 89 -1.917 -17.651 -0.218 1.00 0.01 C ATOM 1392 C SER A 89 -2.953 -18.490 0.525 1.00 0.01 C ATOM 1393 O SER A 89 -3.327 -18.141 1.629 1.00 0.01 O ATOM 1394 CB SER A 89 -0.953 -18.565 -0.976 1.00 0.43 C ATOM 1395 OG SER A 89 -1.677 -19.309 -1.945 1.00 1.26 O ATOM 0 H SER A 89 -0.483 -17.421 1.354 1.00 0.01 H new ATOM 0 HA SER A 89 -2.387 -16.986 -0.942 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.177 -17.973 -1.461 1.00 0.43 H new ATOM 0 HB3 SER A 89 -0.452 -19.240 -0.282 1.00 0.43 H new ATOM 0 HG SER A 89 -1.488 -20.264 -1.832 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.401 -19.601 -0.009 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.385 -20.445 0.744 1.00 0.00 C ATOM 1403 C GLY A 90 -5.522 -20.943 -0.149 1.00 0.00 C ATOM 1404 O GLY A 90 -5.812 -22.123 -0.179 1.00 0.01 O ATOM 0 H GLY A 90 -3.131 -19.958 -0.925 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.868 -21.299 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.800 -19.867 1.569 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.172 -20.079 -0.884 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.273 -20.565 -1.758 1.00 0.00 C ATOM 1410 C GLY A 91 -7.944 -19.419 -2.523 1.00 0.00 C ATOM 1411 O GLY A 91 -7.437 -18.973 -3.534 1.00 0.01 O ATOM 0 H GLY A 91 -5.991 -19.076 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.879 -21.293 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.017 -21.081 -1.151 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.081 -18.949 -2.068 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.793 -17.836 -2.792 1.00 2.31 C ATOM 1417 C GLN A 92 -9.955 -16.620 -1.874 1.00 1.91 C ATOM 1418 O GLN A 92 -10.554 -16.687 -0.818 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.160 -18.348 -3.256 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.842 -17.277 -4.112 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.084 -17.868 -4.781 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.779 -17.186 -5.508 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.396 -19.117 -4.566 1.00 4.43 N ATOM 0 H GLN A 92 -9.550 -19.285 -1.227 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.208 -17.525 -3.657 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -11.040 -19.266 -3.831 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.781 -18.590 -2.394 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -12.121 -16.425 -3.492 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.150 -16.907 -4.869 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.813 -19.690 -3.956 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.222 -19.520 -5.008 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.386 -15.514 -2.280 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.458 -14.280 -1.442 1.00 0.01 C ATOM 1434 C ALA A 93 -10.911 -13.788 -1.374 1.00 0.01 C ATOM 1435 O ALA A 93 -11.621 -13.819 -2.360 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.578 -13.198 -2.069 1.00 2.99 C ATOM 0 H ALA A 93 -8.874 -15.412 -3.156 1.00 0.01 H new ATOM 0 HA ALA A 93 -9.107 -14.499 -0.434 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.626 -12.294 -1.462 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.547 -13.549 -2.116 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.933 -12.979 -3.076 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.381 -13.384 -0.202 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.826 -12.942 -0.078 1.00 0.01 C ATOM 1444 C LYS A 94 -12.991 -11.652 0.753 1.00 0.01 C ATOM 1445 O LYS A 94 -12.473 -11.516 1.878 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.645 -14.058 0.580 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.144 -13.789 0.375 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.972 -14.958 0.935 1.00 4.11 C ATOM 1449 CE LYS A 94 -16.156 -14.797 2.449 1.00 5.23 C ATOM 1450 NZ LYS A 94 -16.816 -13.492 2.737 1.00 6.36 N ATOM 0 H LYS A 94 -10.838 -13.341 0.660 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.181 -12.733 -1.087 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.376 -15.022 0.149 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.417 -14.110 1.645 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.426 -12.862 0.873 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.356 -13.658 -0.686 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -16.945 -14.992 0.444 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.473 -15.903 0.720 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -16.760 -15.616 2.841 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -15.189 -14.845 2.950 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -17.369 -13.569 3.614 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -16.092 -12.754 2.848 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.448 -13.241 1.950 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.748 -10.705 0.201 1.00 0.00 N ATOM 1465 CA ILE A 95 -14.010 -9.408 0.904 1.00 0.01 C ATOM 1466 C ILE A 95 -15.518 -9.073 0.870 1.00 0.01 C ATOM 1467 O ILE A 95 -16.194 -9.274 -0.123 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.205 -8.300 0.200 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.779 -6.912 0.532 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.267 -8.511 -1.315 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.768 -5.829 0.151 1.00 1.09 C ATOM 0 H ILE A 95 -14.192 -10.789 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.704 -9.486 1.947 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.173 -8.350 0.549 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.713 -6.756 -0.007 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -14.010 -6.849 1.595 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.698 -7.727 -1.815 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.843 -9.483 -1.565 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.305 -8.472 -1.646 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.179 -4.848 0.388 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.845 -5.980 0.710 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.559 -5.886 -0.917 1.00 1.09 H new ATOM 1483 N GLN A 96 -16.020 -8.494 1.944 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.460 -8.053 2.000 1.00 0.01 C ATOM 1485 C GLN A 96 -17.472 -6.559 2.362 1.00 0.01 C ATOM 1486 O GLN A 96 -16.694 -6.135 3.188 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.243 -8.877 3.035 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.348 -9.226 4.219 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.197 -9.829 5.339 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -17.776 -10.753 6.006 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -19.384 -9.341 5.580 1.00 2.05 N ATOM 0 H GLN A 96 -15.487 -8.306 2.793 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.945 -8.211 1.037 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.110 -8.313 3.379 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.620 -9.790 2.574 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.578 -9.933 3.911 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.836 -8.333 4.577 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -19.740 -8.565 5.021 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -19.956 -9.736 6.327 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.324 -5.746 1.762 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.334 -4.274 2.088 1.00 0.01 C ATOM 1502 C VAL A 97 -19.731 -3.821 2.546 1.00 0.01 C ATOM 1503 O VAL A 97 -20.741 -4.329 2.096 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.930 -3.489 0.839 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.564 -3.979 0.350 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.973 -3.714 -0.259 1.00 1.03 C ATOM 0 H VAL A 97 -19.009 -6.037 1.065 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.630 -4.088 2.899 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.872 -2.427 1.077 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.274 -3.421 -0.540 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.821 -3.825 1.132 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.623 -5.040 0.109 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.688 -3.156 -1.151 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -19.027 -4.776 -0.497 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.947 -3.370 0.089 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.779 -2.873 3.465 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.089 -2.376 4.006 1.00 0.01 C ATOM 1518 C PHE A 98 -21.250 -0.869 3.752 1.00 0.01 C ATOM 1519 O PHE A 98 -20.316 -0.081 3.867 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.138 -2.629 5.514 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.219 -4.114 5.785 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -20.106 -4.928 5.543 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.399 -4.674 6.288 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.174 -6.301 5.802 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.468 -6.047 6.549 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.355 -6.862 6.306 1.00 0.69 C ATOM 0 H PHE A 98 -18.956 -2.421 3.864 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.896 -2.907 3.501 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.251 -2.212 5.990 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -22.001 -2.124 5.948 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.195 -4.496 5.156 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.257 -4.046 6.475 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.316 -6.929 5.613 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.379 -6.478 6.938 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.407 -7.922 6.507 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.449 -0.480 3.401 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.732 0.956 3.103 1.00 0.01 C ATOM 1538 C GLU A 99 -22.645 1.829 4.365 1.00 0.01 C ATOM 1539 O GLU A 99 -22.274 2.985 4.285 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.141 1.076 2.504 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.316 2.441 1.824 1.00 0.01 C ATOM 1542 CD GLU A 99 -24.420 3.536 2.887 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -25.355 3.488 3.667 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -23.564 4.403 2.902 1.00 0.02 O ATOM 0 H GLU A 99 -23.252 -1.102 3.307 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.980 1.309 2.397 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.305 0.278 1.780 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.888 0.954 3.288 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -23.472 2.640 1.164 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -25.212 2.437 1.203 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.992 1.306 5.522 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.937 2.134 6.779 1.00 0.01 C ATOM 1553 C LYS A 100 -21.872 1.587 7.728 1.00 0.01 C ATOM 1554 O LYS A 100 -21.352 0.506 7.545 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.296 2.104 7.483 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.382 2.589 6.523 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.759 2.315 7.130 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.842 2.915 6.232 1.00 2.84 C ATOM 1559 NZ LYS A 100 -27.883 2.174 4.940 1.00 3.18 N ATOM 0 H LYS A 100 -23.310 0.346 5.652 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.686 3.159 6.507 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.520 1.092 7.820 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.271 2.737 8.370 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.263 3.655 6.331 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.288 2.080 5.564 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -26.914 1.241 7.237 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.820 2.747 8.129 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -28.812 2.859 6.727 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -27.637 3.970 6.052 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.094 2.836 4.166 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -26.961 1.724 4.769 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -28.622 1.444 4.982 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.538 2.344 8.737 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.495 1.902 9.704 1.00 0.01 C ATOM 1575 C GLY A 101 -21.006 0.742 10.563 1.00 0.00 C ATOM 1576 O GLY A 101 -22.191 0.490 10.663 1.00 0.01 O ATOM 0 H GLY A 101 -21.947 3.257 8.934 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.600 1.594 9.164 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.210 2.736 10.345 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.096 0.056 11.203 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.466 -1.082 12.093 1.00 0.00 C ATOM 1582 C ASP A 102 -21.245 -2.160 11.334 1.00 0.00 C ATOM 1583 O ASP A 102 -22.152 -2.774 11.858 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.314 -0.559 13.254 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.633 0.662 13.873 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -20.748 1.733 13.301 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -20.009 0.506 14.909 1.00 0.01 O ATOM 0 H ASP A 102 -19.094 0.240 11.145 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.548 -1.534 12.469 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.310 -0.293 12.900 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.441 -1.338 14.006 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.865 -2.416 10.111 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.536 -3.481 9.313 1.00 0.01 C ATOM 1594 C PHE A 103 -23.052 -3.293 9.303 1.00 0.00 C ATOM 1595 O PHE A 103 -23.798 -4.193 9.637 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.201 -4.845 9.919 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.718 -4.917 10.204 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.815 -5.118 9.154 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.247 -4.783 11.516 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.441 -5.184 9.416 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.872 -4.847 11.777 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.970 -5.049 10.727 1.00 0.01 C ATOM 0 H PHE A 103 -20.111 -1.928 9.627 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.177 -3.421 8.286 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.767 -4.996 10.838 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.490 -5.641 9.233 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.178 -5.222 8.142 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.944 -4.630 12.327 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.744 -5.339 8.606 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.509 -4.740 12.788 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.910 -5.101 10.928 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.516 -2.140 8.892 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.988 -1.882 8.813 1.00 0.01 C ATOM 1614 C ASN A 104 -25.298 -1.349 7.414 1.00 0.01 C ATOM 1615 O ASN A 104 -24.410 -0.954 6.684 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.391 -0.835 9.856 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.426 -1.481 11.241 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -25.958 -2.664 11.381 1.00 3.15 O flip ATOM 1619 ND2 ASN A 104 -24.966 -0.903 12.206 1.00 2.38 N flip ATOM 0 H ASN A 104 -22.931 -1.356 8.604 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.541 -2.801 9.007 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.683 -0.007 9.847 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.369 -0.421 9.612 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -24.550 0.022 12.096 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -24.996 -1.343 13.126 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.543 -1.346 7.019 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.887 -0.843 5.655 1.00 0.01 C ATOM 1628 C GLY A 105 -26.852 -2.010 4.671 1.00 0.01 C ATOM 1629 O GLY A 105 -26.882 -3.159 5.064 1.00 0.01 O ATOM 0 H GLY A 105 -27.334 -1.668 7.577 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.876 -0.385 5.661 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.181 -0.071 5.349 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.777 -1.741 3.398 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.727 -2.854 2.414 1.00 0.01 C ATOM 1635 C GLN A 106 -25.329 -3.478 2.432 1.00 0.01 C ATOM 1636 O GLN A 106 -24.325 -2.797 2.552 1.00 0.01 O ATOM 1637 CB GLN A 106 -27.027 -2.309 1.016 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.265 -3.475 0.055 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.741 -2.936 -1.295 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -28.434 -3.618 -2.024 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -27.397 -1.731 -1.662 1.00 0.01 N ATOM 0 H GLN A 106 -26.748 -0.803 2.999 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.468 -3.610 2.674 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.905 -1.664 1.046 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.195 -1.699 0.665 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -26.346 -4.047 -0.074 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -28.009 -4.155 0.469 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -26.815 -1.158 -1.050 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -27.710 -1.363 -2.560 1.00 0.01 H new ATOM 1650 N MET A 107 -25.275 -4.781 2.316 1.00 0.01 N ATOM 1651 CA MET A 107 -23.966 -5.508 2.326 1.00 0.01 C ATOM 1652 C MET A 107 -23.754 -6.192 0.975 1.00 0.01 C ATOM 1653 O MET A 107 -24.676 -6.703 0.371 1.00 0.01 O ATOM 1654 CB MET A 107 -23.990 -6.573 3.434 1.00 0.00 C ATOM 1655 CG MET A 107 -22.782 -7.514 3.304 1.00 0.01 C ATOM 1656 SD MET A 107 -23.175 -8.840 2.133 1.00 0.01 S ATOM 1657 CE MET A 107 -22.261 -10.164 2.962 1.00 0.01 C ATOM 0 H MET A 107 -26.093 -5.381 2.213 1.00 0.01 H new ATOM 0 HA MET A 107 -23.156 -4.802 2.509 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.978 -6.090 4.411 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.914 -7.148 3.374 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.909 -6.958 2.961 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.529 -7.936 4.277 1.00 0.01 H new ATOM 0 HE1 MET A 107 -22.413 -11.101 2.427 1.00 0.01 H new ATOM 0 HE2 MET A 107 -21.198 -9.921 2.973 1.00 0.01 H new ATOM 0 HE3 MET A 107 -22.620 -10.268 3.986 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.531 -6.214 0.510 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.207 -6.876 -0.791 1.00 0.00 C ATOM 1669 C TYR A 108 -20.979 -7.771 -0.581 1.00 0.01 C ATOM 1670 O TYR A 108 -20.026 -7.397 0.073 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.890 -5.812 -1.847 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.173 -5.175 -2.328 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.973 -5.835 -3.268 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.561 -3.922 -1.835 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.160 -5.245 -3.715 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.748 -3.332 -2.282 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.548 -3.992 -3.223 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.718 -3.409 -3.666 1.00 2.48 O ATOM 0 H TYR A 108 -21.731 -5.795 0.984 1.00 0.01 H new ATOM 0 HA TYR A 108 -23.055 -7.470 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.231 -5.053 -1.426 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.360 -6.264 -2.685 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.674 -6.800 -3.648 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.944 -3.412 -1.110 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.777 -5.755 -4.439 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -25.048 -2.367 -1.901 1.00 1.51 H new ATOM 0 HH TYR A 108 -27.485 -3.924 -3.338 1.00 2.48 H new ATOM 1688 N GLU A 109 -21.021 -8.965 -1.116 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.893 -9.940 -0.946 1.00 0.01 C ATOM 1690 C GLU A 109 -19.271 -10.242 -2.307 1.00 0.01 C ATOM 1691 O GLU A 109 -19.965 -10.479 -3.275 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.464 -11.223 -0.332 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.329 -12.075 0.248 1.00 0.01 C ATOM 1694 CD GLU A 109 -18.442 -12.595 -0.885 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -18.906 -13.441 -1.633 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -17.313 -12.143 -0.983 1.00 0.00 O ATOM 0 H GLU A 109 -21.801 -9.314 -1.673 1.00 0.01 H new ATOM 0 HA GLU A 109 -19.122 -9.526 -0.296 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -21.180 -10.974 0.451 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -21.005 -11.790 -1.090 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.736 -11.482 0.944 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -19.741 -12.911 0.813 1.00 0.01 H new ATOM 1703 N THR A 110 -17.961 -10.230 -2.399 1.00 0.01 N ATOM 1704 CA THR A 110 -17.318 -10.512 -3.718 1.00 0.00 C ATOM 1705 C THR A 110 -15.953 -11.185 -3.537 1.00 0.01 C ATOM 1706 O THR A 110 -15.226 -10.952 -2.578 1.00 0.01 O ATOM 1707 CB THR A 110 -17.125 -9.205 -4.489 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.625 -9.493 -5.787 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.134 -8.314 -3.740 1.00 1.69 C ATOM 0 H THR A 110 -17.320 -10.040 -1.629 1.00 0.01 H new ATOM 0 HA THR A 110 -17.972 -11.186 -4.272 1.00 0.00 H new ATOM 0 HB THR A 110 -18.080 -8.687 -4.577 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.502 -8.657 -6.283 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.996 -7.382 -4.289 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.522 -8.095 -2.745 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.177 -8.828 -3.652 1.00 1.69 H new ATOM 1717 N THR A 111 -15.619 -12.025 -4.486 1.00 0.00 N ATOM 1718 CA THR A 111 -14.321 -12.763 -4.468 1.00 0.01 C ATOM 1719 C THR A 111 -13.452 -12.321 -5.652 1.00 0.01 C ATOM 1720 O THR A 111 -12.429 -12.915 -5.932 1.00 0.01 O ATOM 1721 CB THR A 111 -14.591 -14.266 -4.577 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.513 -14.502 -5.633 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.175 -14.781 -3.262 1.00 0.01 C ATOM 0 H THR A 111 -16.208 -12.234 -5.292 1.00 0.00 H new ATOM 0 HA THR A 111 -13.799 -12.546 -3.536 1.00 0.01 H new ATOM 0 HB THR A 111 -13.657 -14.789 -4.783 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.687 -15.464 -5.707 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.366 -15.851 -3.343 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.467 -14.599 -2.453 1.00 0.01 H new ATOM 0 HG23 THR A 111 -16.109 -14.261 -3.050 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.877 -11.307 -6.373 1.00 0.01 N ATOM 1732 CA GLU A 112 -13.106 -10.843 -7.580 1.00 0.01 C ATOM 1733 C GLU A 112 -12.704 -9.371 -7.448 1.00 0.01 C ATOM 1734 O GLU A 112 -13.251 -8.634 -6.650 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.978 -11.010 -8.826 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.411 -12.472 -8.956 1.00 1.61 C ATOM 1737 CD GLU A 112 -15.015 -12.702 -10.343 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -15.453 -11.736 -10.944 1.00 3.21 O ATOM 1739 OE2 GLU A 112 -15.029 -13.841 -10.779 1.00 3.07 O ATOM 0 H GLU A 112 -14.727 -10.778 -6.178 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.200 -11.444 -7.661 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.854 -10.365 -8.758 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.424 -10.704 -9.714 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.556 -13.131 -8.806 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -15.141 -12.717 -8.184 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.763 -8.934 -8.244 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.327 -7.507 -8.198 1.00 0.01 C ATOM 1748 C ASP A 113 -12.434 -6.608 -8.760 1.00 0.00 C ATOM 1749 O ASP A 113 -13.239 -7.028 -9.568 1.00 0.01 O ATOM 1750 CB ASP A 113 -10.073 -7.346 -9.055 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.409 -7.646 -10.517 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -10.940 -6.766 -11.175 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -10.126 -8.748 -10.954 1.00 0.00 O ATOM 0 H ASP A 113 -11.274 -9.510 -8.930 1.00 0.01 H new ATOM 0 HA ASP A 113 -11.119 -7.223 -7.166 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.684 -6.332 -8.961 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.292 -8.021 -8.705 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.456 -5.359 -8.354 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.481 -4.394 -8.877 1.00 0.01 C ATOM 1760 C CYS A 114 -12.764 -3.143 -9.433 1.00 0.01 C ATOM 1761 O CYS A 114 -12.160 -2.413 -8.668 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.387 -3.959 -7.729 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.504 -2.657 -8.305 1.00 0.01 S ATOM 0 H CYS A 114 -11.803 -4.963 -7.678 1.00 0.01 H new ATOM 0 HA CYS A 114 -14.066 -4.873 -9.662 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.961 -4.810 -7.362 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.787 -3.596 -6.895 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.692 -2.858 -7.817 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.828 -2.853 -10.727 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.160 -1.631 -11.256 1.00 0.01 C ATOM 1771 C PRO A 115 -12.951 -0.367 -10.892 1.00 0.01 C ATOM 1772 O PRO A 115 -12.382 0.689 -10.684 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.159 -1.884 -12.771 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.199 -2.983 -13.065 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.534 -3.695 -11.740 1.00 0.01 C ATOM 0 HA PRO A 115 -11.163 -1.464 -10.848 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.406 -0.970 -13.311 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.169 -2.195 -13.106 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.098 -2.548 -13.501 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.805 -3.695 -13.790 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.608 -3.730 -11.560 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.176 -4.724 -11.732 1.00 0.01 H new ATOM 1783 N SER A 116 -14.257 -0.463 -10.827 1.00 0.01 N ATOM 1784 CA SER A 116 -15.093 0.728 -10.482 1.00 0.02 C ATOM 1785 C SER A 116 -16.253 0.276 -9.588 1.00 0.01 C ATOM 1786 O SER A 116 -17.176 -0.394 -10.018 1.00 0.00 O ATOM 1787 CB SER A 116 -15.641 1.354 -11.765 1.00 0.01 C ATOM 1788 OG SER A 116 -16.782 2.144 -11.454 1.00 0.01 O ATOM 0 H SER A 116 -14.782 -1.320 -10.999 1.00 0.01 H new ATOM 0 HA SER A 116 -14.490 1.467 -9.955 1.00 0.02 H new ATOM 0 HB2 SER A 116 -14.876 1.970 -12.238 1.00 0.01 H new ATOM 0 HB3 SER A 116 -15.908 0.574 -12.478 1.00 0.01 H new ATOM 0 HG SER A 116 -16.943 2.786 -12.177 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.184 0.617 -8.331 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.238 0.200 -7.363 1.00 0.01 C ATOM 1796 C ILE A 117 -18.581 0.840 -7.701 1.00 0.01 C ATOM 1797 O ILE A 117 -19.612 0.210 -7.579 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.804 0.618 -5.960 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.495 -0.097 -5.617 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.880 0.231 -4.942 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.852 0.566 -4.403 1.00 1.83 C ATOM 0 H ILE A 117 -15.431 1.175 -7.928 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.361 -0.882 -7.416 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.661 1.698 -5.928 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.688 -1.150 -5.410 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.815 -0.059 -6.468 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.562 0.533 -3.944 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.815 0.733 -5.192 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.030 -0.848 -4.964 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.920 0.055 -4.161 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.645 1.612 -4.627 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.531 0.505 -3.553 1.00 1.83 H new ATOM 1813 N MET A 118 -18.590 2.084 -8.098 1.00 0.02 N ATOM 1814 CA MET A 118 -19.892 2.736 -8.404 1.00 0.01 C ATOM 1815 C MET A 118 -20.521 2.074 -9.627 1.00 0.01 C ATOM 1816 O MET A 118 -21.717 1.894 -9.694 1.00 0.02 O ATOM 1817 CB MET A 118 -19.693 4.232 -8.665 1.00 0.24 C ATOM 1818 CG MET A 118 -21.058 4.911 -8.798 1.00 0.63 C ATOM 1819 SD MET A 118 -20.832 6.706 -8.882 1.00 1.20 S ATOM 1820 CE MET A 118 -22.586 7.154 -8.886 1.00 1.34 C ATOM 0 H MET A 118 -17.764 2.669 -8.222 1.00 0.02 H new ATOM 0 HA MET A 118 -20.555 2.619 -7.547 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.128 4.683 -7.849 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.111 4.379 -9.575 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.568 4.555 -9.694 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.689 4.652 -7.948 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.684 8.238 -8.935 1.00 1.34 H new ATOM 0 HE2 MET A 118 -23.074 6.706 -9.752 1.00 1.34 H new ATOM 0 HE3 MET A 118 -23.057 6.787 -7.974 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.741 1.699 -10.596 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.333 1.050 -11.794 1.00 0.02 C ATOM 1832 C GLU A 119 -20.852 -0.340 -11.424 1.00 0.02 C ATOM 1833 O GLU A 119 -21.861 -0.793 -11.932 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.263 0.921 -12.879 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.921 0.521 -14.201 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.878 0.545 -15.320 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -17.805 0.002 -15.114 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -19.168 1.107 -16.363 1.00 2.11 O ATOM 0 H GLU A 119 -18.727 1.812 -10.612 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.160 1.656 -12.163 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.733 1.866 -12.996 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.524 0.175 -12.588 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.355 -0.475 -14.116 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.736 1.206 -14.435 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.140 -1.045 -10.586 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.557 -2.434 -10.233 1.00 0.01 C ATOM 1847 C GLN A 120 -21.666 -2.462 -9.173 1.00 0.01 C ATOM 1848 O GLN A 120 -22.614 -3.213 -9.286 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.343 -3.200 -9.705 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.655 -4.698 -9.679 1.00 1.07 C ATOM 1851 CD GLN A 120 -19.648 -5.246 -11.108 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -18.709 -5.033 -11.849 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -20.664 -5.948 -11.528 1.00 2.08 N ATOM 0 H GLN A 120 -19.287 -0.719 -10.130 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.953 -2.899 -11.136 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.476 -3.009 -10.338 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -19.089 -2.853 -8.703 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -18.917 -5.224 -9.073 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.627 -4.870 -9.217 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -21.452 -6.127 -10.906 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -20.670 -6.318 -12.478 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.519 -1.706 -8.109 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.528 -1.756 -6.994 1.00 0.01 C ATOM 1864 C PHE A 121 -23.344 -0.468 -6.880 1.00 0.01 C ATOM 1865 O PHE A 121 -24.205 -0.352 -6.030 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.790 -1.995 -5.677 1.00 0.01 C ATOM 1867 CG PHE A 121 -21.028 -3.296 -5.758 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.661 -4.501 -5.424 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.689 -3.300 -6.166 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.955 -5.708 -5.498 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.983 -4.506 -6.241 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.616 -5.710 -5.907 1.00 0.01 C ATOM 0 H PHE A 121 -20.746 -1.057 -7.962 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.225 -2.565 -7.213 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.105 -1.171 -5.477 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.500 -2.027 -4.850 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.694 -4.499 -5.109 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.200 -2.372 -6.423 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.443 -6.636 -5.240 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.950 -4.508 -6.556 1.00 0.01 H new ATOM 0 HZ PHE A 121 -19.071 -6.641 -5.965 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.090 0.505 -7.708 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.863 1.774 -7.614 1.00 0.01 C ATOM 1884 C HIS A 122 -23.657 2.402 -6.230 1.00 0.01 C ATOM 1885 O HIS A 122 -24.543 3.030 -5.687 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.348 1.481 -7.853 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.486 0.451 -8.940 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.719 -0.900 -8.898 1.00 0.01 N flip ATOM 1889 CD2 HIS A 122 -25.383 0.775 -10.285 1.00 0.01 C flip ATOM 1890 CE1 HIS A 122 -25.760 -1.411 -10.193 1.00 0.00 C flip ATOM 1891 NE2 HIS A 122 -25.552 -0.359 -10.990 1.00 0.01 N flip ATOM 0 H HIS A 122 -22.384 0.477 -8.443 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.513 2.476 -8.371 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.811 1.121 -6.935 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.869 2.396 -8.135 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -25.200 1.758 -10.692 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.924 -2.437 -10.489 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.525 -0.409 -12.008 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.483 2.235 -5.659 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.194 2.821 -4.301 1.00 0.01 C ATOM 1901 C LEU A 123 -21.146 3.928 -4.454 1.00 0.02 C ATOM 1902 O LEU A 123 -20.164 3.775 -5.153 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.648 1.717 -3.367 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.796 1.044 -2.584 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.345 -0.334 -2.088 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.177 1.897 -1.365 1.00 0.01 C ATOM 0 H LEU A 123 -21.709 1.717 -6.075 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.108 3.232 -3.872 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.115 0.969 -3.954 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.929 2.147 -2.669 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.655 0.944 -3.248 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.158 -0.806 -1.536 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -22.076 -0.957 -2.941 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.480 -0.220 -1.434 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.988 1.412 -0.821 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.312 2.002 -0.710 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.502 2.883 -1.698 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.353 5.047 -3.806 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.376 6.172 -3.914 1.00 0.00 C ATOM 1920 C ARG A 124 -19.339 6.101 -2.788 1.00 0.01 C ATOM 1921 O ARG A 124 -18.259 6.645 -2.896 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.125 7.503 -3.821 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.301 7.496 -4.799 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.852 8.915 -4.945 1.00 2.92 C ATOM 1925 NE ARG A 124 -23.069 9.507 -3.595 1.00 3.54 N ATOM 1926 CZ ARG A 124 -23.246 10.794 -3.467 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.228 11.564 -4.521 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -23.440 11.311 -2.285 1.00 5.32 N ATOM 0 H ARG A 124 -22.158 5.230 -3.206 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.861 6.094 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.485 7.660 -2.804 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.451 8.328 -4.051 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.979 7.118 -5.769 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -23.082 6.826 -4.440 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -22.156 9.530 -5.515 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.790 8.897 -5.500 1.00 2.92 H new ATOM 0 HE ARG A 124 -23.079 8.906 -2.771 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -23.076 11.160 -5.445 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -23.366 12.570 -4.420 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -23.453 10.710 -1.461 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -23.578 12.317 -2.185 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.668 5.452 -1.695 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.712 5.370 -0.545 1.00 0.01 C ATOM 1944 C GLU A 125 -18.911 4.047 0.209 1.00 0.01 C ATOM 1945 O GLU A 125 -19.929 3.398 0.080 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.985 6.524 0.422 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.531 7.841 -0.214 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.642 8.967 0.813 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.632 8.998 1.524 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -17.736 9.780 0.871 1.00 0.01 O ATOM 0 H GLU A 125 -20.558 4.975 -1.550 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.693 5.427 -0.927 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.048 6.570 0.660 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.455 6.359 1.360 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.502 7.753 -0.563 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.145 8.067 -1.086 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.954 3.666 1.021 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.081 2.405 1.827 1.00 0.01 C ATOM 1959 C ILE A 126 -17.700 2.740 3.274 1.00 0.01 C ATOM 1960 O ILE A 126 -16.696 3.386 3.508 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.131 1.341 1.263 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.708 0.823 -0.059 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -17.001 0.176 2.255 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.693 -0.088 -0.745 1.00 1.70 C ATOM 0 H ILE A 126 -17.083 4.177 1.163 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.098 2.016 1.785 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.145 1.777 1.100 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.633 0.277 0.127 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.957 1.661 -0.711 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.325 -0.575 1.847 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.605 0.546 3.201 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.981 -0.271 2.422 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.108 -0.453 -1.684 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.779 0.471 -0.946 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.466 -0.933 -0.096 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.519 2.373 4.243 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.205 2.761 5.666 1.00 0.01 C ATOM 1978 C HIS A 127 -17.740 1.581 6.526 1.00 0.01 C ATOM 1979 O HIS A 127 -17.192 1.776 7.593 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.443 3.407 6.301 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.632 4.797 5.753 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.817 5.039 4.401 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.665 6.027 6.361 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.952 6.369 4.241 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -19.868 7.018 5.404 1.00 0.02 N ATOM 0 H HIS A 127 -19.374 1.832 4.114 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.376 3.467 5.629 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.326 2.802 6.095 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.329 3.446 7.384 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -19.551 6.200 7.421 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -20.109 6.852 3.288 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -19.938 8.024 5.559 1.00 0.02 H new ATOM 1993 N SER A 128 -17.905 0.365 6.084 1.00 0.01 N ATOM 1994 CA SER A 128 -17.407 -0.782 6.907 1.00 0.01 C ATOM 1995 C SER A 128 -17.139 -1.958 5.974 1.00 0.01 C ATOM 1996 O SER A 128 -17.713 -2.056 4.912 1.00 0.01 O ATOM 1997 CB SER A 128 -18.462 -1.168 7.954 1.00 0.01 C ATOM 1998 OG SER A 128 -18.480 -2.580 8.115 1.00 0.01 O ATOM 0 H SER A 128 -18.355 0.114 5.204 1.00 0.01 H new ATOM 0 HA SER A 128 -16.491 -0.504 7.428 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.238 -0.686 8.906 1.00 0.01 H new ATOM 0 HB3 SER A 128 -19.445 -0.815 7.642 1.00 0.01 H new ATOM 0 HG SER A 128 -18.435 -2.801 9.069 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.251 -2.844 6.325 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.956 -3.973 5.408 1.00 0.01 C ATOM 2006 C CYS A 129 -15.272 -5.098 6.174 1.00 0.00 C ATOM 2007 O CYS A 129 -14.529 -4.872 7.108 1.00 0.01 O ATOM 2008 CB CYS A 129 -15.032 -3.479 4.294 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.328 -4.885 3.396 1.00 1.22 S ATOM 0 H CYS A 129 -15.723 -2.835 7.198 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.886 -4.349 4.981 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.588 -2.841 3.607 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.232 -2.871 4.718 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.256 -5.769 3.178 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.521 -6.318 5.775 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.894 -7.487 6.461 1.00 0.01 C ATOM 2017 C LYS A 130 -14.090 -8.286 5.430 1.00 0.01 C ATOM 2018 O LYS A 130 -14.628 -8.963 4.581 1.00 0.01 O ATOM 2019 CB LYS A 130 -16.013 -8.366 7.085 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.828 -8.477 8.605 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.985 -9.280 9.200 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.726 -9.527 10.689 1.00 0.33 C ATOM 2023 NZ LYS A 130 -17.945 -10.113 11.316 1.00 1.41 N ATOM 0 H LYS A 130 -16.137 -6.556 4.997 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.225 -7.156 7.255 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.989 -7.934 6.863 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.995 -9.360 6.637 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.879 -8.963 8.832 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.793 -7.483 9.052 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.922 -8.739 9.068 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -17.089 -10.230 8.676 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -15.879 -10.202 10.815 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -16.464 -8.592 11.183 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -17.769 -10.281 12.327 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -18.742 -9.454 11.208 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -18.176 -11.014 10.851 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.796 -8.219 5.531 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.903 -8.976 4.614 1.00 0.01 C ATOM 2039 C VAL A 131 -11.316 -10.096 5.438 1.00 0.01 C ATOM 2040 O VAL A 131 -10.593 -9.839 6.390 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.774 -8.062 4.120 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -10.028 -8.748 2.977 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.361 -6.739 3.621 1.00 0.01 C ATOM 0 H VAL A 131 -12.307 -7.657 6.228 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.445 -9.351 3.745 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.085 -7.865 4.941 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.226 -8.100 2.625 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.606 -9.689 3.331 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.720 -8.946 2.158 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.556 -6.093 3.271 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -12.052 -6.934 2.801 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.893 -6.247 4.435 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.532 -11.344 5.060 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.875 -12.442 5.837 1.00 0.01 C ATOM 2055 C VAL A 132 -10.538 -13.572 4.881 1.00 0.00 C ATOM 2056 O VAL A 132 -11.108 -14.640 4.953 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.838 -12.955 6.912 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.097 -13.920 7.843 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.367 -11.776 7.729 1.00 1.98 C ATOM 0 H VAL A 132 -12.114 -11.637 4.275 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.969 -12.071 6.316 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.670 -13.472 6.434 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.782 -14.285 8.608 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.716 -14.762 7.265 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.265 -13.400 8.319 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -13.052 -12.142 8.494 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.533 -11.260 8.205 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.893 -11.084 7.071 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.611 -13.363 4.008 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.215 -14.435 3.057 1.00 0.01 C ATOM 2071 C GLU A 133 -8.248 -13.800 2.056 1.00 0.01 C ATOM 2072 O GLU A 133 -8.662 -13.002 1.234 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.473 -15.022 2.351 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.696 -16.489 2.764 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.697 -17.386 2.029 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.553 -16.979 1.891 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -10.091 -18.465 1.614 1.00 0.00 O ATOM 0 H GLU A 133 -9.100 -12.486 3.906 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.731 -15.266 3.569 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.351 -14.429 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.352 -14.958 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.573 -16.597 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.716 -16.793 2.528 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.985 -14.127 2.118 1.00 0.01 N ATOM 2085 CA GLY A 134 -6.008 -13.523 1.160 1.00 0.01 C ATOM 2086 C GLY A 134 -5.786 -12.041 1.501 1.00 0.01 C ATOM 2087 O GLY A 134 -6.264 -11.547 2.504 1.00 0.01 O ATOM 0 H GLY A 134 -6.586 -14.784 2.788 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -5.061 -14.061 1.206 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.380 -13.618 0.140 1.00 0.01 H new ATOM 2091 N THR A 135 -5.057 -11.329 0.670 1.00 0.01 N ATOM 2092 CA THR A 135 -4.785 -9.875 0.925 1.00 0.01 C ATOM 2093 C THR A 135 -5.507 -9.032 -0.136 1.00 0.01 C ATOM 2094 O THR A 135 -5.615 -9.426 -1.281 1.00 0.01 O ATOM 2095 CB THR A 135 -3.277 -9.624 0.839 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.590 -10.652 1.536 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.942 -8.269 1.465 1.00 2.30 C ATOM 0 H THR A 135 -4.635 -11.697 -0.182 1.00 0.01 H new ATOM 0 HA THR A 135 -5.145 -9.599 1.916 1.00 0.01 H new ATOM 0 HB THR A 135 -2.969 -9.621 -0.207 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.624 -10.495 1.481 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.868 -8.095 1.402 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.470 -7.480 0.929 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.249 -8.265 2.511 1.00 2.30 H new ATOM 2105 N TRP A 136 -6.015 -7.882 0.244 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.756 -7.005 -0.726 1.00 0.01 C ATOM 2107 C TRP A 136 -6.214 -5.572 -0.670 1.00 0.01 C ATOM 2108 O TRP A 136 -5.850 -5.075 0.374 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.242 -6.984 -0.352 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.873 -8.286 -0.725 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.840 -9.412 0.023 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.629 -8.616 -1.926 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.530 -10.409 -0.640 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -10.035 -9.968 -1.846 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.998 -7.881 -3.063 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.782 -10.567 -2.860 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.749 -8.482 -4.087 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.139 -9.822 -3.985 1.00 0.01 C ATOM 0 H TRP A 136 -5.948 -7.509 1.191 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.622 -7.402 -1.732 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.355 -6.807 0.718 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.745 -6.165 -0.866 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.354 -9.515 0.982 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.651 -11.356 -0.281 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.703 -6.846 -3.152 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -11.082 -11.601 -2.775 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -11.027 -7.907 -4.958 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.715 -10.279 -4.776 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.194 -4.886 -1.788 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.723 -3.463 -1.810 1.00 0.00 C ATOM 2131 C ILE A 137 -6.897 -2.591 -2.261 1.00 0.01 C ATOM 2132 O ILE A 137 -7.632 -2.956 -3.150 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.582 -3.298 -2.821 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.490 -4.339 -2.544 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.987 -1.887 -2.695 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.277 -4.050 -3.433 1.00 1.69 C ATOM 0 H ILE A 137 -6.486 -5.253 -2.694 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.368 -3.177 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.970 -3.442 -3.829 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.201 -4.309 -1.494 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.869 -5.342 -2.741 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.176 -1.769 -3.413 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.761 -1.146 -2.897 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.602 -1.743 -1.686 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.499 -4.788 -3.238 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.573 -4.102 -4.481 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.894 -3.053 -3.214 1.00 1.69 H new ATOM 2148 N PHE A 138 -7.049 -1.423 -1.676 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.151 -0.480 -2.087 1.00 0.01 C ATOM 2150 C PHE A 138 -7.479 0.750 -2.716 1.00 0.01 C ATOM 2151 O PHE A 138 -6.450 1.202 -2.252 1.00 0.00 O ATOM 2152 CB PHE A 138 -9.035 -0.136 -0.842 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.983 1.336 -0.422 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -9.339 2.358 -1.318 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.596 1.671 0.886 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -9.297 3.698 -0.910 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.554 3.012 1.288 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.902 4.024 0.390 1.00 2.49 C ATOM 0 H PHE A 138 -6.453 -1.077 -0.924 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.825 -0.921 -2.822 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.069 -0.404 -1.060 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.716 -0.753 -0.002 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.646 2.110 -2.323 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.330 0.891 1.584 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -9.571 4.481 -1.602 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -8.252 3.264 2.294 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.866 5.058 0.700 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.057 1.296 -3.764 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.469 2.503 -4.431 1.00 0.01 C ATOM 2170 C TYR A 139 -8.507 3.630 -4.439 1.00 0.01 C ATOM 2171 O TYR A 139 -9.704 3.391 -4.503 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.076 2.157 -5.871 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.289 0.866 -5.882 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.946 -0.349 -5.673 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.906 0.883 -6.106 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.225 -1.548 -5.682 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.184 -0.317 -6.118 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.844 -1.532 -5.905 1.00 0.02 C ATOM 2179 OH TYR A 139 -4.132 -2.713 -5.914 1.00 0.00 O ATOM 0 H TYR A 139 -8.919 0.952 -4.188 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.582 2.825 -3.886 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.968 2.057 -6.489 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.480 2.962 -6.300 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -8.013 -0.363 -5.504 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.397 1.821 -6.269 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.735 -2.486 -5.517 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.118 -0.304 -6.292 1.00 0.02 H new ATOM 0 HH TYR A 139 -3.186 -2.523 -6.084 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.057 4.854 -4.314 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.998 6.010 -4.238 1.00 0.02 C ATOM 2191 C GLU A 140 -9.620 6.335 -5.601 1.00 0.01 C ATOM 2192 O GLU A 140 -10.730 6.827 -5.653 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.204 7.222 -3.751 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.169 8.349 -3.381 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.373 9.599 -3.003 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.349 9.832 -3.619 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -8.801 10.301 -2.101 1.00 0.02 O ATOM 0 H GLU A 140 -7.069 5.102 -4.261 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.812 5.758 -3.558 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.598 6.950 -2.887 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.518 7.557 -4.529 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.830 8.566 -4.220 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -9.801 8.042 -2.548 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.941 6.087 -6.702 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.538 6.413 -8.045 1.00 0.02 C ATOM 2206 C LEU A 141 -9.747 5.105 -8.836 1.00 0.01 C ATOM 2207 O LEU A 141 -9.040 4.134 -8.624 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.559 7.328 -8.804 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.743 8.794 -8.360 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.460 9.582 -8.637 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.900 9.448 -9.129 1.00 1.24 C ATOM 0 H LEU A 141 -8.008 5.677 -6.730 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.497 6.916 -7.924 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.533 7.010 -8.616 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.728 7.242 -9.877 1.00 0.57 H new ATOM 0 HG LEU A 141 -8.967 8.805 -7.293 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.594 10.617 -8.322 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.633 9.138 -8.083 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.238 9.553 -9.704 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.015 10.482 -8.803 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.685 9.426 -10.197 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.822 8.901 -8.933 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.704 5.073 -9.752 1.00 0.01 N ATOM 2224 CA PRO A 142 -10.970 3.841 -10.551 1.00 0.01 C ATOM 2225 C PRO A 142 -9.720 3.314 -11.263 1.00 0.01 C ATOM 2226 O PRO A 142 -8.711 3.980 -11.386 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.040 4.313 -11.563 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.264 5.826 -11.367 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.580 6.246 -10.056 1.00 0.01 C ATOM 0 HA PRO A 142 -11.291 3.005 -9.930 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.714 4.107 -12.583 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -12.972 3.769 -11.410 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.850 6.384 -12.207 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.330 6.051 -11.329 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.002 7.162 -10.176 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.304 6.427 -9.262 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.824 2.107 -11.748 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.702 1.467 -12.490 1.00 0.01 C ATOM 2239 C ASN A 143 -7.443 1.383 -11.621 1.00 0.01 C ATOM 2240 O ASN A 143 -6.330 1.424 -12.107 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.395 2.281 -13.749 1.00 0.23 C ATOM 2242 CG ASN A 143 -7.488 1.468 -14.675 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -6.213 1.742 -14.724 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 -7.945 0.573 -15.358 1.00 0.56 N flip ATOM 0 H ASN A 143 -10.658 1.526 -11.659 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.002 0.455 -12.761 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -9.321 2.538 -14.263 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.910 3.219 -13.479 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -8.942 0.360 -15.319 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -7.332 0.035 -15.970 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.623 1.228 -10.336 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.462 1.095 -9.410 1.00 0.02 C ATOM 2253 C TYR A 144 -5.524 2.305 -9.508 1.00 0.01 C ATOM 2254 O TYR A 144 -4.333 2.156 -9.691 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.689 -0.191 -9.751 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.656 -1.246 -10.247 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.835 -1.506 -9.537 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.374 -1.964 -11.419 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.731 -2.478 -9.997 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.269 -2.937 -11.877 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.447 -3.195 -11.166 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.329 -4.155 -11.619 1.00 0.01 O ATOM 0 H TYR A 144 -8.537 1.188 -9.884 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.840 1.048 -8.389 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.937 0.015 -10.513 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.159 -0.554 -8.870 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -8.053 -0.956 -8.634 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.465 -1.765 -11.968 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.641 -2.675 -9.450 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.051 -3.489 -12.779 1.00 0.01 H new ATOM 0 HH TYR A 144 -8.981 -4.557 -12.442 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.055 3.500 -9.379 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.191 4.730 -9.452 1.00 0.01 C ATOM 2274 C ARG A 145 -5.383 5.568 -8.186 1.00 0.01 C ATOM 2275 O ARG A 145 -6.329 5.379 -7.447 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.597 5.576 -10.667 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.342 4.791 -11.969 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.100 5.758 -13.135 1.00 0.01 C ATOM 2279 NE ARG A 145 -5.985 6.964 -12.999 1.00 0.01 N ATOM 2280 CZ ARG A 145 -7.280 6.847 -12.877 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -7.860 5.690 -13.043 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -8.006 7.906 -12.642 1.00 0.01 N ATOM 0 H ARG A 145 -7.048 3.679 -9.226 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.148 4.426 -9.543 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.651 5.846 -10.596 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.030 6.507 -10.678 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.479 4.137 -11.844 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.197 4.151 -12.189 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -4.054 6.065 -13.152 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.300 5.256 -14.081 1.00 0.01 H new ATOM 0 HE ARG A 145 -5.566 7.894 -13.002 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -7.301 4.867 -13.270 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -8.872 5.608 -12.946 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -7.562 8.820 -12.554 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -9.018 7.820 -12.546 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.483 6.482 -7.915 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.605 7.327 -6.689 1.00 0.02 C ATOM 2298 C GLY A 146 -3.904 6.643 -5.512 1.00 0.01 C ATOM 2299 O GLY A 146 -3.130 5.721 -5.684 1.00 0.02 O ATOM 0 H GLY A 146 -3.666 6.679 -8.494 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.163 8.307 -6.867 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.656 7.490 -6.452 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.174 7.095 -4.318 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.528 6.487 -3.119 1.00 0.01 C ATOM 2305 C ARG A 147 -4.059 5.067 -2.939 1.00 0.01 C ATOM 2306 O ARG A 147 -5.219 4.778 -3.175 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.873 7.324 -1.885 1.00 0.01 C ATOM 2308 CG ARG A 147 -2.984 6.899 -0.713 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.219 7.838 0.473 1.00 0.01 C ATOM 2310 NE ARG A 147 -2.441 7.356 1.649 1.00 0.02 N ATOM 2311 CZ ARG A 147 -2.245 8.147 2.669 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -2.729 9.360 2.656 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -1.565 7.726 3.699 1.00 0.02 N ATOM 0 H ARG A 147 -4.817 7.862 -4.120 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.446 6.461 -3.248 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.729 8.383 -2.099 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.923 7.192 -1.625 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.208 5.871 -0.427 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.935 6.926 -1.010 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.916 8.852 0.213 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -4.281 7.875 0.716 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.062 6.409 1.657 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -3.260 9.689 1.849 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -2.576 9.979 3.453 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -1.186 6.779 3.708 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -1.412 8.344 4.496 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.182 4.170 -2.554 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.556 2.733 -2.380 1.00 0.01 C ATOM 2329 C GLN A 148 -3.342 2.323 -0.916 1.00 0.01 C ATOM 2330 O GLN A 148 -2.457 2.817 -0.243 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.631 1.895 -3.287 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.252 2.706 -4.533 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.702 1.769 -5.612 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.985 0.833 -5.310 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -2.007 1.980 -6.863 1.00 0.01 N ATOM 0 H GLN A 148 -2.205 4.379 -2.350 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.602 2.573 -2.644 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.732 1.609 -2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.132 0.973 -3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.125 3.239 -4.911 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.506 3.458 -4.276 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -2.608 2.764 -7.116 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -1.645 1.361 -7.588 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.141 1.413 -0.429 1.00 0.01 N ATOM 2345 CA TYR A 149 -4.009 0.933 0.983 1.00 0.01 C ATOM 2346 C TYR A 149 -3.946 -0.596 0.985 1.00 0.01 C ATOM 2347 O TYR A 149 -4.628 -1.241 0.215 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.223 1.385 1.784 1.00 0.01 C ATOM 2349 CG TYR A 149 -5.117 2.862 2.081 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -5.489 3.799 1.108 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.644 3.296 3.325 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -5.386 5.170 1.382 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.541 4.665 3.598 1.00 0.01 C ATOM 2354 CZ TYR A 149 -4.913 5.602 2.626 1.00 0.01 C ATOM 2355 OH TYR A 149 -4.811 6.951 2.897 1.00 0.01 O ATOM 0 H TYR A 149 -4.894 0.972 -0.957 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.103 1.343 1.429 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -6.136 1.182 1.224 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.287 0.821 2.715 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -5.855 3.465 0.148 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.358 2.574 4.075 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -5.672 5.893 0.633 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.175 4.998 4.558 1.00 0.01 H new ATOM 0 HH TYR A 149 -4.466 7.077 3.806 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.142 -1.182 1.834 1.00 0.01 N ATOM 2366 CA LEU A 150 -3.041 -2.678 1.868 1.00 0.01 C ATOM 2367 C LEU A 150 -3.944 -3.221 2.980 1.00 0.01 C ATOM 2368 O LEU A 150 -3.804 -2.880 4.137 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.579 -3.058 2.128 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.358 -4.546 1.809 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.143 -4.839 1.763 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -2.031 -5.439 2.874 1.00 0.01 C ATOM 0 H LEU A 150 -2.550 -0.693 2.506 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.364 -3.107 0.920 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.920 -2.444 1.514 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.322 -2.859 3.168 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.807 -4.767 0.840 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.301 -5.894 1.537 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.609 -4.228 0.990 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.589 -4.604 2.729 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.862 -6.488 2.629 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -1.604 -5.222 3.853 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.102 -5.239 2.893 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.881 -4.069 2.625 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.820 -4.655 3.630 1.00 0.01 C ATOM 2386 C LEU A 151 -5.453 -6.113 3.922 1.00 0.01 C ATOM 2387 O LEU A 151 -5.237 -6.901 3.021 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.244 -4.606 3.071 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.511 -3.225 2.466 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.985 -3.133 2.050 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.195 -2.136 3.505 1.00 0.01 C ATOM 0 H LEU A 151 -5.035 -4.383 1.667 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.752 -4.079 4.553 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.374 -5.378 2.313 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.964 -4.813 3.863 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.876 -3.079 1.592 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.181 -2.151 1.618 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.203 -3.904 1.311 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.620 -3.278 2.924 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.386 -1.154 3.072 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.827 -2.275 4.382 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.148 -2.206 3.798 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.416 -6.486 5.176 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.102 -7.903 5.548 1.00 0.01 C ATOM 2405 C ASP A 152 -6.379 -8.555 6.082 1.00 0.00 C ATOM 2406 O ASP A 152 -7.395 -7.906 6.222 1.00 0.01 O ATOM 2407 CB ASP A 152 -4.026 -7.916 6.638 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.589 -9.357 6.899 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -3.280 -10.042 5.939 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -3.568 -9.752 8.054 1.00 2.27 O ATOM 0 H ASP A 152 -5.591 -5.865 5.966 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.736 -8.450 4.679 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.171 -7.315 6.328 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.414 -7.470 7.554 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.345 -9.826 6.387 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.572 -10.490 6.919 1.00 0.01 C ATOM 2417 C LYS A 153 -8.022 -9.744 8.177 1.00 0.01 C ATOM 2418 O LYS A 153 -7.665 -10.108 9.280 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.254 -11.944 7.276 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.838 -12.704 6.015 1.00 0.71 C ATOM 2421 CD LYS A 153 -6.206 -14.041 6.407 1.00 0.72 C ATOM 2422 CE LYS A 153 -5.709 -14.758 5.150 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.877 -15.928 5.542 1.00 1.84 N ATOM 0 H LYS A 153 -5.528 -10.429 6.292 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.362 -10.471 6.168 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.454 -11.981 8.015 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.126 -12.417 7.727 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.706 -12.873 5.377 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -6.129 -12.110 5.438 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -5.378 -13.876 7.096 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.935 -14.661 6.928 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -6.556 -15.086 4.547 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -5.126 -14.073 4.535 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -4.539 -16.415 4.688 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -4.062 -15.603 6.100 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -5.448 -16.584 6.112 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.779 -8.684 8.020 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.229 -7.887 9.212 1.00 0.01 C ATOM 2439 C LYS A 154 -10.708 -7.502 9.103 1.00 0.01 C ATOM 2440 O LYS A 154 -11.310 -7.559 8.046 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.381 -6.615 9.303 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.867 -5.744 10.469 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.778 -4.735 10.845 1.00 0.97 C ATOM 2444 CE LYS A 154 -8.377 -3.652 11.747 1.00 1.44 C ATOM 2445 NZ LYS A 154 -9.108 -4.297 12.877 1.00 2.28 N ATOM 0 H LYS A 154 -9.106 -8.334 7.119 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.105 -8.499 10.105 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.332 -6.876 9.446 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.446 -6.057 8.369 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.781 -5.220 10.189 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -9.109 -6.370 11.328 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -6.960 -5.240 11.359 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.359 -4.284 9.946 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -7.588 -3.006 12.131 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -9.055 -3.020 11.174 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -9.206 -3.619 13.659 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -10.052 -4.593 12.556 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -8.577 -5.129 13.204 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.280 -7.069 10.203 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.707 -6.623 10.217 1.00 0.01 C ATOM 2461 C GLU A 155 -12.728 -5.107 10.439 1.00 0.01 C ATOM 2462 O GLU A 155 -12.423 -4.633 11.515 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.450 -7.325 11.360 1.00 0.01 C ATOM 2464 CG GLU A 155 -13.054 -8.804 11.395 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.929 -9.542 12.414 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -14.894 -8.952 12.873 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -13.619 -10.683 12.718 1.00 0.01 O ATOM 0 H GLU A 155 -10.808 -7.006 11.105 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.195 -6.872 9.275 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -13.208 -6.850 12.311 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.527 -7.229 11.221 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -13.175 -9.248 10.407 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.002 -8.904 11.663 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.062 -4.336 9.431 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.072 -2.849 9.594 1.00 0.01 C ATOM 2476 C TYR A 156 -14.497 -2.354 9.848 1.00 0.01 C ATOM 2477 O TYR A 156 -15.364 -2.491 9.008 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.522 -2.209 8.319 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.103 -2.674 8.091 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.051 -2.078 8.795 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.841 -3.702 7.177 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.736 -2.506 8.586 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.525 -4.132 6.969 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.474 -3.534 7.673 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.177 -3.960 7.470 1.00 0.01 O ATOM 0 H TYR A 156 -13.327 -4.672 8.505 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.452 -2.573 10.447 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.145 -2.479 7.466 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.550 -1.123 8.404 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.255 -1.286 9.501 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.653 -4.162 6.633 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.924 -2.044 9.128 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.321 -4.925 6.265 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.170 -4.680 6.806 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.760 -1.811 11.011 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.148 -1.351 11.323 1.00 0.01 C ATOM 2497 C ARG A 157 -16.334 0.130 10.982 1.00 0.00 C ATOM 2498 O ARG A 157 -17.435 0.563 10.707 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.409 -1.554 12.815 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.256 -0.956 13.622 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.652 -0.876 15.097 1.00 0.00 C ATOM 2502 NE ARG A 157 -16.188 -2.194 15.540 1.00 0.01 N ATOM 2503 CZ ARG A 157 -16.308 -2.455 16.813 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.960 -1.565 17.701 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -16.773 -3.611 17.198 1.00 0.01 N ATOM 0 H ARG A 157 -14.077 -1.667 11.755 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.849 -1.931 10.723 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.349 -1.080 13.098 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.509 -2.617 13.036 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.362 -1.569 13.507 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.012 0.037 13.246 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -14.788 -0.601 15.702 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.403 -0.099 15.241 1.00 0.00 H new ATOM 0 HE ARG A 157 -16.461 -2.892 14.848 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -15.593 -0.662 17.401 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -16.055 -1.772 18.695 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -17.042 -4.309 16.505 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -16.868 -3.817 18.192 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.282 0.915 10.987 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.413 2.373 10.651 1.00 0.01 C ATOM 2521 C LYS A 158 -14.433 2.708 9.512 1.00 0.01 C ATOM 2522 O LYS A 158 -13.413 2.065 9.379 1.00 0.01 O ATOM 2523 CB LYS A 158 -15.057 3.198 11.898 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.271 3.277 12.830 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.825 3.741 14.220 1.00 1.44 C ATOM 2526 CE LYS A 158 -15.163 5.118 14.117 1.00 2.13 C ATOM 2527 NZ LYS A 158 -15.096 5.739 15.470 1.00 2.54 N ATOM 0 H LYS A 158 -14.335 0.609 11.210 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.431 2.604 10.337 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.215 2.742 12.419 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.745 4.201 11.606 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -17.009 3.969 12.424 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.753 2.302 12.899 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -16.683 3.789 14.891 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.126 3.022 14.647 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -14.161 5.021 13.699 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -15.730 5.756 13.440 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -14.646 6.674 15.401 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -16.058 5.844 15.852 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -14.537 5.132 16.103 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.702 3.717 8.711 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.755 4.086 7.618 1.00 0.02 C ATOM 2543 C PRO A 159 -12.385 4.475 8.194 1.00 0.01 C ATOM 2544 O PRO A 159 -11.356 4.083 7.677 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.469 5.274 6.949 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.633 5.707 7.857 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.932 4.552 8.825 1.00 0.28 C ATOM 0 HA PRO A 159 -13.540 3.278 6.919 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.774 6.101 6.801 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.840 4.989 5.965 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.371 6.609 8.409 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.514 5.943 7.261 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -16.091 4.906 9.844 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.827 4.000 8.536 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.351 5.240 9.246 1.00 0.01 N ATOM 2556 CA VAL A 160 -11.036 5.631 9.825 1.00 0.02 C ATOM 2557 C VAL A 160 -10.291 4.362 10.248 1.00 0.02 C ATOM 2558 O VAL A 160 -9.084 4.358 10.386 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.263 6.528 11.044 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.913 6.956 11.623 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.052 7.771 10.622 1.00 0.74 C ATOM 0 H VAL A 160 -13.170 5.610 9.728 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.448 6.176 9.087 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.824 5.978 11.799 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -10.075 7.595 12.491 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.349 6.073 11.923 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.351 7.506 10.868 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.214 8.411 11.489 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.490 8.320 9.867 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.014 7.468 10.209 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.994 3.281 10.444 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.300 2.027 10.843 1.00 0.01 C ATOM 2573 C ASP A 161 -9.395 1.556 9.701 1.00 0.01 C ATOM 2574 O ASP A 161 -8.507 0.749 9.891 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.333 0.942 11.153 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.654 -0.211 11.894 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.439 -0.185 12.003 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.360 -1.101 12.338 1.00 0.00 O ATOM 0 H ASP A 161 -12.007 3.212 10.346 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.697 2.217 11.731 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.139 1.355 11.760 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.784 0.579 10.229 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.602 2.074 8.513 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.743 1.681 7.353 1.00 0.01 C ATOM 2585 C TRP A 162 -7.617 2.717 7.223 1.00 0.01 C ATOM 2586 O TRP A 162 -6.881 2.712 6.258 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.582 1.720 6.043 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.889 0.358 5.472 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.115 -0.761 5.533 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -11.059 -0.009 4.687 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.755 -1.783 4.853 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.956 -1.367 4.314 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.198 0.707 4.276 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.946 -1.993 3.555 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.195 0.081 3.512 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -13.068 -1.265 3.153 1.00 0.01 C ATOM 0 H TRP A 162 -10.331 2.754 8.298 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.347 0.678 7.510 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.519 2.240 6.239 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -9.044 2.303 5.296 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.159 -0.838 6.030 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.384 -2.729 4.761 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.306 1.746 4.550 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.845 -3.033 3.281 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -14.064 0.641 3.200 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.838 -1.742 2.565 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.459 3.590 8.174 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.362 4.591 8.068 1.00 0.01 C ATOM 2609 C GLY A 163 -6.761 5.690 7.084 1.00 0.01 C ATOM 2610 O GLY A 163 -5.949 6.495 6.672 1.00 0.01 O ATOM 0 H GLY A 163 -8.035 3.656 9.013 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.155 5.023 9.047 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.445 4.106 7.734 1.00 0.01 H new ATOM 2614 N ALA A 164 -8.009 5.707 6.679 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.473 6.727 5.689 1.00 0.02 C ATOM 2616 C ALA A 164 -9.187 7.870 6.407 1.00 0.01 C ATOM 2617 O ALA A 164 -9.911 7.673 7.362 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.474 6.067 4.738 1.00 0.01 C ATOM 0 H ALA A 164 -8.728 5.055 6.994 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.611 7.115 5.146 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.821 6.800 4.010 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.991 5.240 4.218 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.324 5.691 5.308 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.984 9.069 5.937 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.641 10.249 6.562 1.00 0.01 C ATOM 2626 C ALA A 165 -11.051 10.421 5.991 1.00 0.02 C ATOM 2627 O ALA A 165 -11.825 11.219 6.480 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.828 11.510 6.265 1.00 0.59 C ATOM 0 H ALA A 165 -8.385 9.283 5.139 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.698 10.092 7.639 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.312 12.372 6.724 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.823 11.399 6.672 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.769 11.659 5.187 1.00 0.59 H new ATOM 2634 N SER A 166 -11.407 9.675 4.972 1.00 0.01 N ATOM 2635 CA SER A 166 -12.780 9.788 4.387 1.00 0.01 C ATOM 2636 C SER A 166 -13.238 8.385 3.930 1.00 0.02 C ATOM 2637 O SER A 166 -12.415 7.569 3.569 1.00 0.01 O ATOM 2638 CB SER A 166 -12.743 10.729 3.182 1.00 0.72 C ATOM 2639 OG SER A 166 -12.597 12.068 3.637 1.00 0.87 O ATOM 0 H SER A 166 -10.802 8.990 4.519 1.00 0.01 H new ATOM 0 HA SER A 166 -13.472 10.183 5.130 1.00 0.01 H new ATOM 0 HB2 SER A 166 -11.915 10.464 2.524 1.00 0.72 H new ATOM 0 HB3 SER A 166 -13.658 10.628 2.599 1.00 0.72 H new ATOM 0 HG SER A 166 -12.571 12.674 2.867 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.526 8.090 3.925 1.00 0.02 N ATOM 2646 CA PRO A 167 -15.002 6.744 3.475 1.00 0.01 C ATOM 2647 C PRO A 167 -14.960 6.592 1.948 1.00 0.01 C ATOM 2648 O PRO A 167 -15.671 5.780 1.377 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.452 6.745 3.979 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.875 8.211 4.140 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.596 9.039 4.362 1.00 0.22 C ATOM 0 HA PRO A 167 -14.389 5.924 3.849 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.105 6.231 3.273 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.530 6.216 4.929 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.406 8.556 3.253 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.556 8.323 4.984 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.595 9.954 3.770 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.478 9.334 5.405 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.170 7.386 1.278 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.134 7.298 -0.211 1.00 0.01 C ATOM 2661 C ALA A 168 -13.201 6.176 -0.685 1.00 0.01 C ATOM 2662 O ALA A 168 -12.025 6.138 -0.391 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.638 8.629 -0.780 1.00 0.18 C ATOM 0 H ALA A 168 -13.553 8.086 1.691 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.142 7.079 -0.563 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.609 8.571 -1.868 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.314 9.429 -0.477 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.637 8.836 -0.401 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.765 5.276 -1.443 1.00 0.01 N ATOM 2670 CA ILE A 169 -13.005 4.122 -2.013 1.00 0.01 C ATOM 2671 C ILE A 169 -13.617 3.845 -3.384 1.00 0.01 C ATOM 2672 O ILE A 169 -14.818 3.694 -3.499 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.183 2.890 -1.104 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.656 3.219 0.305 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.434 1.658 -1.694 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.792 1.993 1.209 1.00 3.99 C ATOM 0 H ILE A 169 -14.752 5.292 -1.700 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.940 4.339 -2.089 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.242 2.639 -1.044 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.612 3.527 0.250 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.214 4.056 0.726 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.572 0.799 -1.037 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.834 1.428 -2.682 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.371 1.884 -1.777 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.418 2.232 2.204 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.841 1.704 1.275 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -12.214 1.168 0.792 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.826 3.826 -4.438 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.397 3.614 -5.812 1.00 0.01 C ATOM 2690 C GLN A 170 -12.997 2.270 -6.428 1.00 0.02 C ATOM 2691 O GLN A 170 -13.649 1.818 -7.350 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.916 4.740 -6.731 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.451 6.080 -6.223 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.950 6.174 -6.511 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.763 5.776 -5.700 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.354 6.687 -7.641 1.00 5.17 N ATOM 0 H GLN A 170 -11.814 3.948 -4.405 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.482 3.615 -5.712 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.827 4.759 -6.760 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.259 4.563 -7.750 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.269 6.174 -5.152 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.924 6.901 -6.709 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -14.672 7.021 -8.322 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.352 6.754 -7.843 1.00 5.17 H new ATOM 2705 N SER A 171 -11.965 1.598 -5.982 1.00 0.01 N ATOM 2706 CA SER A 171 -11.636 0.291 -6.643 1.00 0.01 C ATOM 2707 C SER A 171 -10.826 -0.592 -5.693 1.00 0.01 C ATOM 2708 O SER A 171 -10.209 -0.121 -4.761 1.00 0.01 O ATOM 2709 CB SER A 171 -10.819 0.557 -7.906 1.00 0.01 C ATOM 2710 OG SER A 171 -10.480 -0.681 -8.517 1.00 0.02 O ATOM 0 H SER A 171 -11.353 1.881 -5.217 1.00 0.01 H new ATOM 0 HA SER A 171 -12.563 -0.221 -6.900 1.00 0.01 H new ATOM 0 HB2 SER A 171 -11.391 1.173 -8.600 1.00 0.01 H new ATOM 0 HB3 SER A 171 -9.915 1.112 -7.657 1.00 0.01 H new ATOM 0 HG SER A 171 -11.284 -1.234 -8.603 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.794 -1.878 -5.946 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.985 -2.785 -5.073 1.00 0.01 C ATOM 2718 C PHE A 172 -9.509 -4.003 -5.870 1.00 0.01 C ATOM 2719 O PHE A 172 -10.125 -4.405 -6.837 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.784 -3.221 -3.836 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.146 -3.773 -4.206 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.255 -5.035 -4.802 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.301 -3.035 -3.917 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.515 -5.556 -5.114 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.563 -3.560 -4.225 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.670 -4.819 -4.824 1.00 1.92 C ATOM 0 H PHE A 172 -11.288 -2.336 -6.712 1.00 0.01 H new ATOM 0 HA PHE A 172 -9.111 -2.234 -4.725 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.222 -3.978 -3.290 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.907 -2.370 -3.166 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.365 -5.607 -5.021 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.219 -2.061 -3.457 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.597 -6.527 -5.579 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.454 -2.992 -4.000 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.643 -5.223 -5.063 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.393 -4.578 -5.482 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.835 -5.753 -6.229 1.00 0.01 C ATOM 2738 C ARG A 173 -7.202 -6.749 -5.246 1.00 0.01 C ATOM 2739 O ARG A 173 -6.697 -6.382 -4.204 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.740 -5.246 -7.194 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.357 -4.741 -8.524 1.00 0.01 C ATOM 2742 CD ARG A 173 -7.238 -5.817 -9.613 1.00 0.01 C ATOM 2743 NE ARG A 173 -5.878 -5.760 -10.220 1.00 0.01 N ATOM 2744 CZ ARG A 173 -5.441 -6.756 -10.943 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -6.197 -7.802 -11.135 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -4.250 -6.705 -11.474 1.00 0.01 N ATOM 0 H ARG A 173 -7.842 -4.282 -4.676 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.636 -6.248 -6.778 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -6.179 -4.440 -6.721 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.032 -6.049 -7.400 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.405 -4.484 -8.371 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -6.849 -3.832 -8.846 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -7.416 -6.804 -9.186 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -7.997 -5.660 -10.379 1.00 0.01 H new ATOM 0 HE ARG A 173 -5.288 -4.942 -10.071 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -7.128 -7.841 -10.721 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -5.857 -8.580 -11.699 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -3.660 -5.887 -11.324 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -3.910 -7.483 -12.038 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.225 -8.012 -5.586 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.620 -9.047 -4.696 1.00 0.01 C ATOM 2762 C ARG A 174 -5.137 -9.218 -5.042 1.00 0.01 C ATOM 2763 O ARG A 174 -4.751 -9.165 -6.194 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.333 -10.386 -4.904 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.222 -10.800 -6.373 1.00 0.01 C ATOM 2766 CD ARG A 174 -8.079 -12.042 -6.620 1.00 0.01 C ATOM 2767 NE ARG A 174 -8.146 -12.317 -8.082 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.559 -13.481 -8.508 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.912 -14.401 -7.654 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -8.621 -13.720 -9.790 1.00 0.01 N ATOM 0 H ARG A 174 -7.639 -8.372 -6.446 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.725 -8.730 -3.658 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.889 -11.150 -4.265 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.381 -10.300 -4.617 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.551 -9.985 -7.017 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.182 -11.007 -6.626 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.655 -12.899 -6.097 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -9.082 -11.890 -6.222 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.870 -11.597 -8.750 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.866 -14.212 -6.653 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.234 -15.310 -7.987 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -8.347 -12.999 -10.457 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.943 -14.628 -10.124 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.302 -9.445 -4.057 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.844 -9.646 -4.346 1.00 0.01 C ATOM 2786 C ILE A 175 -2.566 -11.142 -4.504 1.00 0.00 C ATOM 2787 O ILE A 175 -2.922 -11.936 -3.657 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.977 -9.107 -3.204 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.421 -7.690 -2.826 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.514 -9.074 -3.660 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.440 -7.100 -1.802 1.00 3.04 C ATOM 0 H ILE A 175 -4.562 -9.500 -3.072 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.598 -9.107 -5.261 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.085 -9.756 -2.335 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.458 -7.060 -3.715 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.428 -7.712 -2.409 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.110 -8.691 -2.853 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.192 -10.082 -3.921 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.419 -8.425 -4.531 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.757 -6.092 -1.534 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.426 -7.726 -0.909 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.440 -7.063 -2.235 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.930 -11.536 -5.580 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.623 -12.988 -5.796 1.00 0.00 C ATOM 2805 C VAL A 176 -0.184 -13.137 -6.296 1.00 0.01 C ATOM 2806 O VAL A 176 0.325 -12.295 -7.010 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.570 -13.561 -6.852 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.303 -15.059 -7.018 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -4.019 -13.349 -6.406 1.00 1.89 C ATOM 0 H VAL A 176 -1.608 -10.914 -6.322 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.748 -13.523 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.403 -13.054 -7.802 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.978 -15.468 -7.770 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -1.271 -15.212 -7.334 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.470 -15.566 -6.068 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.695 -13.757 -7.158 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -4.185 -13.856 -5.456 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -4.211 -12.283 -6.287 1.00 1.89 H new ATOM 2819 N GLU A 177 0.476 -14.200 -5.925 1.00 0.01 N ATOM 2820 CA GLU A 177 1.882 -14.408 -6.376 1.00 0.01 C ATOM 2821 C GLU A 177 1.974 -14.176 -7.886 1.00 0.01 C ATOM 2822 CB GLU A 177 2.314 -15.840 -6.052 1.00 2.15 C ATOM 2823 CG GLU A 177 2.546 -15.978 -4.545 1.00 3.19 C ATOM 2824 CD GLU A 177 3.862 -15.299 -4.162 1.00 4.20 C ATOM 2825 OE1 GLU A 177 4.485 -14.721 -5.038 1.00 4.77 O ATOM 2826 OE2 GLU A 177 4.228 -15.369 -3.001 1.00 4.89 O ATOM 0 H GLU A 177 0.101 -14.936 -5.327 1.00 0.01 H new ATOM 0 HA GLU A 177 2.537 -13.705 -5.861 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.549 -16.544 -6.378 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.226 -16.087 -6.595 1.00 2.15 H new ATOM 0 HG2 GLU A 177 1.719 -15.526 -3.997 1.00 3.19 H new ATOM 0 HG3 GLU A 177 2.575 -17.031 -4.267 1.00 3.19 H new TER 2833 GLU A 177