USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 975 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 94 THR OG1 : rot -80:sc= -1.63! USER MOD Set 1.2: A 96 TYR OH : rot 117:sc= 0.379 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -1.26! C(o=-1.3!,f=-8.5!) USER MOD Set 3.1: A 32 ASN : amide:sc= -4.32! C(o=-6.7!,f=-9.7!) USER MOD Set 3.2: A 34 GLN : amide:sc= -2.4! C(o=-6.7!,f=-2.8!) USER MOD Single : A 1 GLU N :NH3+ -168:sc= -0.062 (180deg=-0.226) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0192) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -2.16 USER MOD Single : A 10 THR OG1 : rot -25:sc= 0.513 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -63:sc= -3.66! USER MOD Single : A 14 THR OG1 : rot 7:sc= 0.81! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 23 ASN : amide:sc= -2.8! C(o=-2.8!,f=-6!) USER MOD Single : A 26 SER OG : rot 170:sc= -1.17! USER MOD Single : A 27 ASN : amide:sc= -7.04! C(o=-7!,f=-13!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -23:sc= 0.535 USER MOD Single : A 30 SER OG : rot 180:sc= -0.17 USER MOD Single : A 31 ASN : amide:sc= -0.0212 K(o=-0.021,f=-1.8!) USER MOD Single : A 33 GLN : amide:sc= -4.75! C(o=-4.7!,f=-6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0672 (180deg=-0.6) USER MOD Single : A 43 HIS : no HD1:sc= -0.706 K(o=-0.71,f=-0.017) USER MOD Single : A 45 ASN : amide:sc=-0.00945 K(o=-0.0095,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.08) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= 0.152 K(o=0.15,f=-4.8!) USER MOD Single : A 69 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.0519 (180deg=-0.493) USER MOD Single : A 76 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.9!) USER MOD Single : A 79 ASN : amide:sc= -1.57 K(o=-1.6,f=-5.2!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 85 ASN : amide:sc= -1.58! C(o=-1.6!,f=-1.9!) USER MOD Single : A 88 MET CE :methyl 141:sc= -0.0662 (180deg=-0.704) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.348 K(o=-0.35,f=-3.4!) USER MOD Single : A 93 ASN : amide:sc= -2.22! C(o=-2.2!,f=-5.6!) USER MOD Single : A 97 SER OG : rot -177:sc= 0.897 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -158:sc= 0.323 (180deg=0.28!) USER MOD Single : A 117 ASN : amide:sc= -0.715 K(o=-0.72,f=-4.6!) USER MOD Single : A 119 LYS NZ :NH3+ -96:sc= -2.46! (180deg=-3.12!) USER MOD Single : A 120 LYS NZ :NH3+ 151:sc= 0.458 (180deg=0.00492) USER MOD Single : A 124 THR OG1 : rot 16:sc= -2.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 117.338 14.313 -4.982 1.00 0.00 N ATOM 2 CA GLU A 1 115.850 14.221 -4.954 1.00 0.00 C ATOM 3 C GLU A 1 115.432 12.795 -4.594 1.00 0.00 C ATOM 4 O GLU A 1 114.339 12.561 -4.118 1.00 0.00 O ATOM 5 CB GLU A 1 115.290 14.582 -6.331 1.00 0.00 C ATOM 6 CG GLU A 1 113.762 14.525 -6.293 1.00 0.00 C ATOM 7 CD GLU A 1 113.201 14.928 -7.657 1.00 0.00 C ATOM 8 OE1 GLU A 1 113.975 14.992 -8.598 1.00 0.00 O ATOM 9 OE2 GLU A 1 112.007 15.166 -7.739 1.00 0.00 O ATOM 0 H1 GLU A 1 117.623 15.312 -5.024 1.00 0.00 H new ATOM 0 H2 GLU A 1 117.729 13.877 -4.123 1.00 0.00 H new ATOM 0 H3 GLU A 1 117.701 13.814 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 1 115.459 14.914 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 1 115.620 15.580 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 1 115.671 13.891 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 1 113.432 13.519 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 1 113.382 15.193 -5.520 1.00 0.00 H new ATOM 18 N LYS A 2 116.294 11.839 -4.813 1.00 0.00 N ATOM 19 CA LYS A 2 115.943 10.432 -4.477 1.00 0.00 C ATOM 20 C LYS A 2 116.224 10.180 -2.992 1.00 0.00 C ATOM 21 O LYS A 2 117.124 10.756 -2.414 1.00 0.00 O ATOM 22 CB LYS A 2 116.782 9.478 -5.332 1.00 0.00 C ATOM 23 CG LYS A 2 116.360 9.604 -6.800 1.00 0.00 C ATOM 24 CD LYS A 2 117.202 8.660 -7.661 1.00 0.00 C ATOM 25 CE LYS A 2 116.709 8.715 -9.110 1.00 0.00 C ATOM 26 NZ LYS A 2 117.192 9.968 -9.753 1.00 0.00 N ATOM 0 H LYS A 2 117.224 11.972 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 2 114.886 10.260 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 2 117.841 9.713 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 2 116.647 8.452 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 2 115.302 9.363 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 2 116.488 10.632 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 2 118.253 8.946 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 2 117.130 7.641 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.072 7.848 -9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 2 115.620 8.677 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 116.915 9.973 -10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 116.771 10.789 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 118.228 10.018 -9.680 1.00 0.00 H new ATOM 40 N VAL A 3 115.455 9.328 -2.372 1.00 0.00 N ATOM 41 CA VAL A 3 115.663 9.038 -0.924 1.00 0.00 C ATOM 42 C VAL A 3 116.803 8.033 -0.747 1.00 0.00 C ATOM 43 O VAL A 3 116.873 7.029 -1.425 1.00 0.00 O ATOM 44 CB VAL A 3 114.381 8.445 -0.339 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.648 7.963 1.089 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.285 9.513 -0.320 1.00 0.00 C ATOM 0 H VAL A 3 114.687 8.817 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 3 115.917 9.965 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 3 114.057 7.604 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.735 7.540 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.428 7.201 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.972 8.804 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.371 9.089 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.608 10.355 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.094 9.857 -1.337 1.00 0.00 H new ATOM 56 N LYS A 4 117.696 8.289 0.170 1.00 0.00 N ATOM 57 CA LYS A 4 118.811 7.328 0.384 1.00 0.00 C ATOM 58 C LYS A 4 118.256 6.081 1.061 1.00 0.00 C ATOM 59 O LYS A 4 117.560 6.159 2.057 1.00 0.00 O ATOM 60 CB LYS A 4 119.885 7.959 1.275 1.00 0.00 C ATOM 61 CG LYS A 4 120.429 9.233 0.623 1.00 0.00 C ATOM 62 CD LYS A 4 121.117 8.888 -0.701 1.00 0.00 C ATOM 63 CE LYS A 4 122.022 10.045 -1.121 1.00 0.00 C ATOM 64 NZ LYS A 4 122.714 9.691 -2.394 1.00 0.00 N ATOM 0 H LYS A 4 117.702 9.112 0.773 1.00 0.00 H new ATOM 0 HA LYS A 4 119.259 7.068 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.465 8.193 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.696 7.250 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.616 9.938 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.136 9.722 1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.703 7.975 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.371 8.698 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.433 10.953 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.754 10.251 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 123.331 10.476 -2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.287 8.835 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 122.007 9.515 -3.136 1.00 0.00 H new ATOM 78 N GLY A 5 118.557 4.926 0.535 1.00 0.00 N ATOM 79 CA GLY A 5 118.040 3.683 1.162 1.00 0.00 C ATOM 80 C GLY A 5 118.262 2.496 0.225 1.00 0.00 C ATOM 81 O GLY A 5 119.155 2.504 -0.599 1.00 0.00 O ATOM 0 H GLY A 5 119.134 4.792 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 5 118.545 3.507 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.978 3.791 1.381 1.00 0.00 H new ATOM 85 N CYS A 6 117.457 1.469 0.347 1.00 0.00 N ATOM 86 CA CYS A 6 117.629 0.279 -0.535 1.00 0.00 C ATOM 87 C CYS A 6 116.268 -0.154 -1.087 1.00 0.00 C ATOM 88 O CYS A 6 115.305 -0.294 -0.354 1.00 0.00 O ATOM 89 CB CYS A 6 118.220 -0.863 0.287 1.00 0.00 C ATOM 90 SG CYS A 6 119.076 -2.025 -0.807 1.00 0.00 S ATOM 0 H CYS A 6 116.691 1.406 1.018 1.00 0.00 H new ATOM 0 HA CYS A 6 118.293 0.530 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.914 -0.468 1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.429 -1.378 0.833 1.00 0.00 H new ATOM 95 N ASP A 7 116.187 -0.376 -2.370 1.00 0.00 N ATOM 96 CA ASP A 7 114.898 -0.815 -2.978 1.00 0.00 C ATOM 97 C ASP A 7 115.021 -2.279 -3.415 1.00 0.00 C ATOM 98 O ASP A 7 115.709 -2.596 -4.365 1.00 0.00 O ATOM 99 CB ASP A 7 114.585 0.053 -4.195 1.00 0.00 C ATOM 100 CG ASP A 7 113.122 -0.139 -4.597 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.542 -1.132 -4.189 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.606 0.710 -5.305 1.00 0.00 O ATOM 0 H ASP A 7 116.961 -0.272 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 7 114.096 -0.715 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.775 1.101 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.239 -0.216 -5.024 1.00 0.00 H new ATOM 107 N PHE A 8 114.358 -3.171 -2.734 1.00 0.00 N ATOM 108 CA PHE A 8 114.436 -4.609 -3.117 1.00 0.00 C ATOM 109 C PHE A 8 113.329 -4.911 -4.128 1.00 0.00 C ATOM 110 O PHE A 8 113.132 -6.041 -4.531 1.00 0.00 O ATOM 111 CB PHE A 8 114.241 -5.482 -1.874 1.00 0.00 C ATOM 112 CG PHE A 8 115.324 -5.188 -0.867 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.612 -5.705 -1.049 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.039 -4.399 0.254 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.615 -5.433 -0.111 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.041 -4.128 1.194 1.00 0.00 C ATOM 117 CZ PHE A 8 117.329 -4.645 1.010 1.00 0.00 C ATOM 0 H PHE A 8 113.766 -2.967 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 8 115.410 -4.822 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.262 -5.291 -1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.266 -6.536 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.832 -6.314 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.046 -3.999 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.609 -5.831 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.820 -3.521 2.060 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.103 -4.436 1.734 1.00 0.00 H new ATOM 127 N THR A 9 112.587 -3.908 -4.522 1.00 0.00 N ATOM 128 CA THR A 9 111.474 -4.136 -5.484 1.00 0.00 C ATOM 129 C THR A 9 111.897 -3.732 -6.900 1.00 0.00 C ATOM 130 O THR A 9 111.294 -4.140 -7.872 1.00 0.00 O ATOM 131 CB THR A 9 110.275 -3.285 -5.056 1.00 0.00 C ATOM 132 OG1 THR A 9 109.877 -3.656 -3.744 1.00 0.00 O ATOM 133 CG2 THR A 9 109.115 -3.502 -6.027 1.00 0.00 C ATOM 0 H THR A 9 112.706 -2.942 -4.218 1.00 0.00 H new ATOM 0 HA THR A 9 111.212 -5.194 -5.486 1.00 0.00 H new ATOM 0 HB THR A 9 110.556 -2.232 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.111 -3.111 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.264 -2.895 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.423 -3.212 -7.032 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.830 -4.554 -6.024 1.00 0.00 H new ATOM 141 N THR A 10 112.916 -2.927 -7.035 1.00 0.00 N ATOM 142 CA THR A 10 113.341 -2.507 -8.401 1.00 0.00 C ATOM 143 C THR A 10 114.802 -2.055 -8.393 1.00 0.00 C ATOM 144 O THR A 10 115.199 -1.213 -7.610 1.00 0.00 O ATOM 145 CB THR A 10 112.457 -1.348 -8.870 1.00 0.00 C ATOM 146 OG1 THR A 10 111.091 -1.719 -8.754 1.00 0.00 O ATOM 147 CG2 THR A 10 112.774 -1.015 -10.330 1.00 0.00 C ATOM 0 H THR A 10 113.468 -2.545 -6.267 1.00 0.00 H new ATOM 0 HA THR A 10 113.239 -3.355 -9.078 1.00 0.00 H new ATOM 0 HB THR A 10 112.651 -0.472 -8.251 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.012 -2.695 -8.802 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.143 -0.190 -10.660 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.822 -0.728 -10.419 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.583 -1.889 -10.952 1.00 0.00 H new ATOM 155 N SER A 11 115.607 -2.604 -9.263 1.00 0.00 N ATOM 156 CA SER A 11 117.038 -2.194 -9.305 1.00 0.00 C ATOM 157 C SER A 11 117.122 -0.722 -9.705 1.00 0.00 C ATOM 158 O SER A 11 118.051 -0.022 -9.351 1.00 0.00 O ATOM 159 CB SER A 11 117.785 -3.043 -10.334 1.00 0.00 C ATOM 160 OG SER A 11 117.185 -2.870 -11.611 1.00 0.00 O ATOM 0 H SER A 11 115.336 -3.315 -9.943 1.00 0.00 H new ATOM 0 HA SER A 11 117.490 -2.338 -8.324 1.00 0.00 H new ATOM 0 HB2 SER A 11 118.835 -2.751 -10.370 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.756 -4.094 -10.045 1.00 0.00 H new ATOM 0 HG SER A 11 117.663 -3.412 -12.273 1.00 0.00 H new ATOM 166 N GLU A 12 116.148 -0.250 -10.435 1.00 0.00 N ATOM 167 CA GLU A 12 116.145 1.180 -10.859 1.00 0.00 C ATOM 168 C GLU A 12 114.972 1.894 -10.189 1.00 0.00 C ATOM 169 O GLU A 12 113.969 2.182 -10.811 1.00 0.00 O ATOM 170 CB GLU A 12 115.985 1.256 -12.380 1.00 0.00 C ATOM 171 CG GLU A 12 117.243 0.708 -13.057 1.00 0.00 C ATOM 172 CD GLU A 12 117.042 0.702 -14.573 1.00 0.00 C ATOM 173 OE1 GLU A 12 115.980 1.111 -15.012 1.00 0.00 O ATOM 174 OE2 GLU A 12 117.954 0.289 -15.271 1.00 0.00 O ATOM 0 H GLU A 12 115.350 -0.797 -10.758 1.00 0.00 H new ATOM 0 HA GLU A 12 117.082 1.656 -10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.112 0.683 -12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.815 2.288 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 12 118.106 1.320 -12.796 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.450 -0.302 -12.702 1.00 0.00 H new ATOM 181 N SER A 13 115.082 2.166 -8.920 1.00 0.00 N ATOM 182 CA SER A 13 113.965 2.845 -8.205 1.00 0.00 C ATOM 183 C SER A 13 113.831 4.290 -8.682 1.00 0.00 C ATOM 184 O SER A 13 114.791 4.925 -9.070 1.00 0.00 O ATOM 185 CB SER A 13 114.245 2.838 -6.703 1.00 0.00 C ATOM 186 OG SER A 13 114.626 1.531 -6.306 1.00 0.00 O ATOM 0 H SER A 13 115.897 1.948 -8.346 1.00 0.00 H new ATOM 0 HA SER A 13 113.038 2.312 -8.414 1.00 0.00 H new ATOM 0 HB2 SER A 13 115.037 3.549 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.358 3.154 -6.154 1.00 0.00 H new ATOM 0 HG SER A 13 113.884 0.911 -6.466 1.00 0.00 H new ATOM 192 N THR A 14 112.639 4.815 -8.637 1.00 0.00 N ATOM 193 CA THR A 14 112.422 6.226 -9.064 1.00 0.00 C ATOM 194 C THR A 14 112.319 7.102 -7.817 1.00 0.00 C ATOM 195 O THR A 14 112.164 8.304 -7.896 1.00 0.00 O ATOM 196 CB THR A 14 111.121 6.323 -9.864 1.00 0.00 C ATOM 197 OG1 THR A 14 110.673 7.671 -9.873 1.00 0.00 O ATOM 198 CG2 THR A 14 110.057 5.435 -9.218 1.00 0.00 C ATOM 0 H THR A 14 111.802 4.326 -8.321 1.00 0.00 H new ATOM 0 HA THR A 14 113.252 6.559 -9.688 1.00 0.00 H new ATOM 0 HB THR A 14 111.297 5.991 -10.887 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.351 8.244 -9.458 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.130 5.504 -9.788 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.402 4.401 -9.210 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.879 5.766 -8.195 1.00 0.00 H new ATOM 206 N ILE A 15 112.411 6.496 -6.662 1.00 0.00 N ATOM 207 CA ILE A 15 112.326 7.268 -5.388 1.00 0.00 C ATOM 208 C ILE A 15 113.548 6.989 -4.510 1.00 0.00 C ATOM 209 O ILE A 15 113.759 7.649 -3.514 1.00 0.00 O ATOM 210 CB ILE A 15 111.050 6.875 -4.647 1.00 0.00 C ATOM 211 CG1 ILE A 15 110.837 5.367 -4.771 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.856 7.611 -5.257 1.00 0.00 C ATOM 213 CD1 ILE A 15 109.786 4.914 -3.757 1.00 0.00 C ATOM 0 H ILE A 15 112.542 5.491 -6.547 1.00 0.00 H new ATOM 0 HA ILE A 15 112.304 8.334 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 15 111.142 7.146 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.514 5.117 -5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 15 111.776 4.841 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 15 108.946 7.330 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.009 8.687 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.761 7.342 -6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 15 109.634 3.838 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.127 5.150 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 15 108.846 5.430 -3.952 1.00 0.00 H new ATOM 225 N PHE A 16 114.350 6.011 -4.860 1.00 0.00 N ATOM 226 CA PHE A 16 115.550 5.690 -4.024 1.00 0.00 C ATOM 227 C PHE A 16 116.814 5.707 -4.886 1.00 0.00 C ATOM 228 O PHE A 16 116.815 5.284 -6.024 1.00 0.00 O ATOM 229 CB PHE A 16 115.385 4.300 -3.403 1.00 0.00 C ATOM 230 CG PHE A 16 114.217 4.306 -2.445 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.312 4.986 -1.225 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.037 3.633 -2.778 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.227 4.991 -0.340 1.00 0.00 C ATOM 234 CE2 PHE A 16 111.954 3.638 -1.895 1.00 0.00 C ATOM 235 CZ PHE A 16 112.049 4.316 -0.675 1.00 0.00 C ATOM 0 H PHE A 16 114.226 5.424 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 16 115.641 6.439 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.222 3.559 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.297 4.015 -2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.222 5.507 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.963 3.109 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 16 113.300 5.516 0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.043 3.118 -2.154 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.213 4.318 0.008 1.00 0.00 H new ATOM 245 N SER A 17 117.887 6.217 -4.343 1.00 0.00 N ATOM 246 CA SER A 17 119.160 6.292 -5.115 1.00 0.00 C ATOM 247 C SER A 17 119.745 4.895 -5.346 1.00 0.00 C ATOM 248 O SER A 17 120.557 4.702 -6.229 1.00 0.00 O ATOM 249 CB SER A 17 120.172 7.135 -4.341 1.00 0.00 C ATOM 250 OG SER A 17 121.362 7.263 -5.110 1.00 0.00 O ATOM 0 H SER A 17 117.936 6.586 -3.394 1.00 0.00 H new ATOM 0 HA SER A 17 118.949 6.747 -6.083 1.00 0.00 H new ATOM 0 HB2 SER A 17 119.755 8.119 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 17 120.394 6.668 -3.381 1.00 0.00 H new ATOM 0 HG SER A 17 122.013 7.805 -4.617 1.00 0.00 H new ATOM 256 N LYS A 18 119.363 3.925 -4.555 1.00 0.00 N ATOM 257 CA LYS A 18 119.930 2.550 -4.733 1.00 0.00 C ATOM 258 C LYS A 18 118.815 1.500 -4.723 1.00 0.00 C ATOM 259 O LYS A 18 117.856 1.591 -3.984 1.00 0.00 O ATOM 260 CB LYS A 18 120.913 2.256 -3.599 1.00 0.00 C ATOM 261 CG LYS A 18 121.857 1.129 -4.023 1.00 0.00 C ATOM 262 CD LYS A 18 122.915 0.916 -2.939 1.00 0.00 C ATOM 263 CE LYS A 18 123.863 -0.207 -3.363 1.00 0.00 C ATOM 264 NZ LYS A 18 124.907 -0.396 -2.316 1.00 0.00 N ATOM 0 H LYS A 18 118.687 4.022 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 18 120.444 2.506 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.484 3.152 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 18 120.370 1.971 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.294 0.209 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.336 1.378 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.475 1.837 -2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.436 0.664 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 18 123.306 -1.133 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.330 0.037 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.552 -1.159 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.445 0.486 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.453 -0.647 -1.415 1.00 0.00 H new ATOM 278 N GLY A 19 118.948 0.492 -5.538 1.00 0.00 N ATOM 279 CA GLY A 19 117.908 -0.573 -5.583 1.00 0.00 C ATOM 280 C GLY A 19 118.531 -1.879 -6.082 1.00 0.00 C ATOM 281 O GLY A 19 119.651 -1.904 -6.548 1.00 0.00 O ATOM 0 H GLY A 19 119.733 0.359 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.479 -0.719 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.093 -0.272 -6.242 1.00 0.00 H new ATOM 285 N TYR A 20 117.808 -2.964 -5.984 1.00 0.00 N ATOM 286 CA TYR A 20 118.344 -4.280 -6.448 1.00 0.00 C ATOM 287 C TYR A 20 117.334 -4.945 -7.387 1.00 0.00 C ATOM 288 O TYR A 20 116.161 -4.628 -7.382 1.00 0.00 O ATOM 289 CB TYR A 20 118.584 -5.189 -5.242 1.00 0.00 C ATOM 290 CG TYR A 20 119.841 -4.760 -4.522 1.00 0.00 C ATOM 291 CD1 TYR A 20 119.853 -3.577 -3.777 1.00 0.00 C ATOM 292 CD2 TYR A 20 120.993 -5.555 -4.595 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.016 -3.186 -3.104 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.156 -5.163 -3.923 1.00 0.00 C ATOM 295 CZ TYR A 20 122.168 -3.979 -3.177 1.00 0.00 C ATOM 296 OH TYR A 20 123.314 -3.593 -2.511 1.00 0.00 O ATOM 0 H TYR A 20 116.863 -2.996 -5.600 1.00 0.00 H new ATOM 0 HA TYR A 20 119.283 -4.118 -6.978 1.00 0.00 H new ATOM 0 HB2 TYR A 20 117.732 -5.143 -4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 20 118.676 -6.225 -5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 20 118.965 -2.965 -3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 20 120.983 -6.469 -5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.025 -2.272 -2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.045 -5.774 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 20 124.020 -4.255 -2.665 1.00 0.00 H new ATOM 306 N SER A 21 117.784 -5.872 -8.187 1.00 0.00 N ATOM 307 CA SER A 21 116.854 -6.570 -9.121 1.00 0.00 C ATOM 308 C SER A 21 116.292 -7.817 -8.433 1.00 0.00 C ATOM 309 O SER A 21 116.945 -8.429 -7.610 1.00 0.00 O ATOM 310 CB SER A 21 117.611 -6.980 -10.384 1.00 0.00 C ATOM 311 OG SER A 21 116.878 -7.991 -11.064 1.00 0.00 O ATOM 0 H SER A 21 118.756 -6.177 -8.235 1.00 0.00 H new ATOM 0 HA SER A 21 116.037 -5.902 -9.392 1.00 0.00 H new ATOM 0 HB2 SER A 21 117.751 -6.117 -11.034 1.00 0.00 H new ATOM 0 HB3 SER A 21 118.604 -7.347 -10.124 1.00 0.00 H new ATOM 0 HG SER A 21 117.360 -8.255 -11.875 1.00 0.00 H new ATOM 317 N ILE A 22 115.083 -8.199 -8.757 1.00 0.00 N ATOM 318 CA ILE A 22 114.488 -9.404 -8.114 1.00 0.00 C ATOM 319 C ILE A 22 115.379 -10.619 -8.384 1.00 0.00 C ATOM 320 O ILE A 22 115.501 -11.504 -7.562 1.00 0.00 O ATOM 321 CB ILE A 22 113.088 -9.652 -8.680 1.00 0.00 C ATOM 322 CG1 ILE A 22 113.169 -9.857 -10.193 1.00 0.00 C ATOM 323 CG2 ILE A 22 112.195 -8.449 -8.376 1.00 0.00 C ATOM 324 CD1 ILE A 22 111.782 -10.209 -10.732 1.00 0.00 C ATOM 0 H ILE A 22 114.486 -7.729 -9.437 1.00 0.00 H new ATOM 0 HA ILE A 22 114.415 -9.242 -7.039 1.00 0.00 H new ATOM 0 HB ILE A 22 112.667 -10.545 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 22 113.540 -8.952 -10.675 1.00 0.00 H new ATOM 0 HG13 ILE A 22 113.875 -10.654 -10.426 1.00 0.00 H new ATOM 0 HG21 ILE A 22 111.198 -8.625 -8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 22 112.131 -8.307 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 22 112.619 -7.556 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 22 111.837 -10.356 -11.811 1.00 0.00 H new ATOM 0 HD12 ILE A 22 111.430 -11.126 -10.259 1.00 0.00 H new ATOM 0 HD13 ILE A 22 111.089 -9.397 -10.511 1.00 0.00 H new ATOM 336 N ASN A 23 116.010 -10.663 -9.523 1.00 0.00 N ATOM 337 CA ASN A 23 116.897 -11.816 -9.848 1.00 0.00 C ATOM 338 C ASN A 23 118.097 -11.829 -8.901 1.00 0.00 C ATOM 339 O ASN A 23 118.561 -12.872 -8.491 1.00 0.00 O ATOM 340 CB ASN A 23 117.389 -11.700 -11.291 1.00 0.00 C ATOM 341 CG ASN A 23 118.317 -12.874 -11.608 1.00 0.00 C ATOM 342 OD1 ASN A 23 118.805 -13.537 -10.714 1.00 0.00 O ATOM 343 ND2 ASN A 23 118.583 -13.164 -12.853 1.00 0.00 N ATOM 0 H ASN A 23 115.950 -9.947 -10.247 1.00 0.00 H new ATOM 0 HA ASN A 23 116.334 -12.742 -9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 23 116.542 -11.697 -11.977 1.00 0.00 H new ATOM 0 HB3 ASN A 23 117.917 -10.757 -11.432 1.00 0.00 H new ATOM 0 HD21 ASN A 23 119.200 -13.946 -13.074 1.00 0.00 H new ATOM 0 HD22 ASN A 23 118.174 -12.609 -13.605 1.00 0.00 H new ATOM 350 N GLU A 24 118.609 -10.675 -8.569 1.00 0.00 N ATOM 351 CA GLU A 24 119.789 -10.609 -7.659 1.00 0.00 C ATOM 352 C GLU A 24 119.413 -11.099 -6.259 1.00 0.00 C ATOM 353 O GLU A 24 120.165 -11.808 -5.621 1.00 0.00 O ATOM 354 CB GLU A 24 120.288 -9.166 -7.576 1.00 0.00 C ATOM 355 CG GLU A 24 120.882 -8.752 -8.923 1.00 0.00 C ATOM 356 CD GLU A 24 122.132 -9.583 -9.211 1.00 0.00 C ATOM 357 OE1 GLU A 24 122.703 -10.103 -8.266 1.00 0.00 O ATOM 358 OE2 GLU A 24 122.500 -9.682 -10.369 1.00 0.00 O ATOM 0 H GLU A 24 118.260 -9.772 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 24 120.576 -11.250 -8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 24 119.467 -8.501 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 24 121.040 -9.075 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 24 120.147 -8.896 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 24 121.133 -7.691 -8.910 1.00 0.00 H new ATOM 365 N ILE A 25 118.261 -10.732 -5.770 1.00 0.00 N ATOM 366 CA ILE A 25 117.860 -11.189 -4.409 1.00 0.00 C ATOM 367 C ILE A 25 117.259 -12.593 -4.491 1.00 0.00 C ATOM 368 O ILE A 25 117.133 -13.282 -3.498 1.00 0.00 O ATOM 369 CB ILE A 25 116.837 -10.216 -3.816 1.00 0.00 C ATOM 370 CG1 ILE A 25 115.741 -9.935 -4.842 1.00 0.00 C ATOM 371 CG2 ILE A 25 117.532 -8.906 -3.444 1.00 0.00 C ATOM 372 CD1 ILE A 25 114.597 -9.167 -4.172 1.00 0.00 C ATOM 0 H ILE A 25 117.584 -10.139 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 25 118.739 -11.216 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 25 116.394 -10.659 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 25 116.145 -9.355 -5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 25 115.370 -10.871 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 25 116.803 -8.214 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.312 -9.104 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.977 -8.464 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.815 -8.967 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.187 -9.763 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 25 114.974 -8.224 -3.777 1.00 0.00 H new ATOM 384 N SER A 26 116.897 -13.029 -5.667 1.00 0.00 N ATOM 385 CA SER A 26 116.316 -14.394 -5.807 1.00 0.00 C ATOM 386 C SER A 26 117.441 -15.399 -6.047 1.00 0.00 C ATOM 387 O SER A 26 117.782 -16.172 -5.176 1.00 0.00 O ATOM 388 CB SER A 26 115.345 -14.420 -6.985 1.00 0.00 C ATOM 389 OG SER A 26 116.082 -14.413 -8.200 1.00 0.00 O ATOM 0 H SER A 26 116.978 -12.500 -6.535 1.00 0.00 H new ATOM 0 HA SER A 26 115.780 -14.657 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 26 114.716 -15.308 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 26 114.681 -13.556 -6.944 1.00 0.00 H new ATOM 0 HG SER A 26 115.477 -14.591 -8.950 1.00 0.00 H new ATOM 395 N ASN A 27 118.016 -15.393 -7.226 1.00 0.00 N ATOM 396 CA ASN A 27 119.122 -16.349 -7.535 1.00 0.00 C ATOM 397 C ASN A 27 120.007 -16.513 -6.296 1.00 0.00 C ATOM 398 O ASN A 27 120.943 -15.769 -6.081 1.00 0.00 O ATOM 399 CB ASN A 27 119.961 -15.802 -8.692 1.00 0.00 C ATOM 400 CG ASN A 27 120.565 -14.457 -8.286 1.00 0.00 C ATOM 401 OD1 ASN A 27 120.219 -13.907 -7.260 1.00 0.00 O ATOM 402 ND2 ASN A 27 121.464 -13.902 -9.052 1.00 0.00 N ATOM 0 H ASN A 27 117.765 -14.764 -7.989 1.00 0.00 H new ATOM 0 HA ASN A 27 118.703 -17.315 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.752 -16.507 -8.948 1.00 0.00 H new ATOM 0 HB3 ASN A 27 119.342 -15.682 -9.581 1.00 0.00 H new ATOM 0 HD21 ASN A 27 121.876 -13.007 -8.789 1.00 0.00 H new ATOM 0 HD22 ASN A 27 121.755 -14.364 -9.914 1.00 0.00 H new ATOM 409 N LYS A 28 119.709 -17.483 -5.481 1.00 0.00 N ATOM 410 CA LYS A 28 120.522 -17.702 -4.251 1.00 0.00 C ATOM 411 C LYS A 28 121.660 -18.680 -4.550 1.00 0.00 C ATOM 412 O LYS A 28 121.880 -19.632 -3.829 1.00 0.00 O ATOM 413 CB LYS A 28 119.628 -18.272 -3.146 1.00 0.00 C ATOM 414 CG LYS A 28 118.949 -19.550 -3.644 1.00 0.00 C ATOM 415 CD LYS A 28 117.997 -20.076 -2.569 1.00 0.00 C ATOM 416 CE LYS A 28 117.312 -21.348 -3.071 1.00 0.00 C ATOM 417 NZ LYS A 28 116.373 -21.852 -2.029 1.00 0.00 N ATOM 0 H LYS A 28 118.936 -18.136 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 28 120.945 -16.753 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 28 120.222 -18.486 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 28 118.876 -17.537 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 28 118.400 -19.348 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 28 119.699 -20.304 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 28 118.547 -20.285 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 28 117.250 -19.319 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 28 116.771 -21.142 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 28 118.058 -22.109 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 115.907 -22.717 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 116.901 -22.064 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 115.654 -21.127 -1.830 1.00 0.00 H new ATOM 431 N SER A 29 122.390 -18.450 -5.606 1.00 0.00 N ATOM 432 CA SER A 29 123.517 -19.363 -5.952 1.00 0.00 C ATOM 433 C SER A 29 124.525 -18.617 -6.831 1.00 0.00 C ATOM 434 O SER A 29 125.342 -19.215 -7.503 1.00 0.00 O ATOM 435 CB SER A 29 122.970 -20.574 -6.712 1.00 0.00 C ATOM 436 OG SER A 29 121.935 -21.182 -5.948 1.00 0.00 O ATOM 0 H SER A 29 122.255 -17.667 -6.246 1.00 0.00 H new ATOM 0 HA SER A 29 124.012 -19.698 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 29 122.586 -20.264 -7.684 1.00 0.00 H new ATOM 0 HB3 SER A 29 123.769 -21.292 -6.899 1.00 0.00 H new ATOM 0 HG SER A 29 122.047 -20.950 -5.002 1.00 0.00 H new ATOM 442 N SER A 30 124.467 -17.314 -6.830 1.00 0.00 N ATOM 443 CA SER A 30 125.422 -16.527 -7.661 1.00 0.00 C ATOM 444 C SER A 30 126.801 -16.526 -6.994 1.00 0.00 C ATOM 445 O SER A 30 127.523 -17.502 -7.047 1.00 0.00 O ATOM 446 CB SER A 30 124.921 -15.091 -7.790 1.00 0.00 C ATOM 447 OG SER A 30 125.883 -14.318 -8.496 1.00 0.00 O ATOM 0 H SER A 30 123.801 -16.761 -6.291 1.00 0.00 H new ATOM 0 HA SER A 30 125.497 -16.978 -8.651 1.00 0.00 H new ATOM 0 HB2 SER A 30 123.966 -15.073 -8.316 1.00 0.00 H new ATOM 0 HB3 SER A 30 124.749 -14.664 -6.802 1.00 0.00 H new ATOM 0 HG SER A 30 125.563 -13.396 -8.582 1.00 0.00 H new ATOM 453 N ASN A 31 127.174 -15.440 -6.361 1.00 0.00 N ATOM 454 CA ASN A 31 128.508 -15.386 -5.689 1.00 0.00 C ATOM 455 C ASN A 31 128.308 -15.372 -4.170 1.00 0.00 C ATOM 456 O ASN A 31 128.743 -16.263 -3.469 1.00 0.00 O ATOM 457 CB ASN A 31 129.238 -14.110 -6.117 1.00 0.00 C ATOM 458 CG ASN A 31 129.624 -14.215 -7.594 1.00 0.00 C ATOM 459 OD1 ASN A 31 129.697 -15.298 -8.139 1.00 0.00 O ATOM 460 ND2 ASN A 31 129.872 -13.125 -8.269 1.00 0.00 N ATOM 0 H ASN A 31 126.613 -14.592 -6.281 1.00 0.00 H new ATOM 0 HA ASN A 31 129.098 -16.257 -5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 31 128.599 -13.242 -5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 31 130.129 -13.966 -5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 31 130.127 -13.183 -9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 31 129.810 -12.216 -7.810 1.00 0.00 H new ATOM 467 N ASN A 32 127.654 -14.364 -3.658 1.00 0.00 N ATOM 468 CA ASN A 32 127.429 -14.297 -2.185 1.00 0.00 C ATOM 469 C ASN A 32 126.059 -14.889 -1.852 1.00 0.00 C ATOM 470 O ASN A 32 125.035 -14.286 -2.106 1.00 0.00 O ATOM 471 CB ASN A 32 127.478 -12.838 -1.723 1.00 0.00 C ATOM 472 CG ASN A 32 127.396 -12.781 -0.196 1.00 0.00 C ATOM 473 OD1 ASN A 32 127.962 -13.613 0.486 1.00 0.00 O ATOM 474 ND2 ASN A 32 126.707 -11.830 0.374 1.00 0.00 N ATOM 0 H ASN A 32 127.267 -13.587 -4.194 1.00 0.00 H new ATOM 0 HA ASN A 32 128.207 -14.865 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 32 128.400 -12.368 -2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 32 126.652 -12.279 -2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 32 126.644 -11.785 1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.232 -11.132 -0.198 1.00 0.00 H new ATOM 481 N GLN A 33 126.029 -16.066 -1.284 1.00 0.00 N ATOM 482 CA GLN A 33 124.721 -16.694 -0.934 1.00 0.00 C ATOM 483 C GLN A 33 124.483 -16.584 0.574 1.00 0.00 C ATOM 484 O GLN A 33 124.739 -17.507 1.321 1.00 0.00 O ATOM 485 CB GLN A 33 124.741 -18.170 -1.344 1.00 0.00 C ATOM 486 CG GLN A 33 126.116 -18.770 -1.045 1.00 0.00 C ATOM 487 CD GLN A 33 127.110 -18.326 -2.119 1.00 0.00 C ATOM 488 OE1 GLN A 33 126.817 -18.383 -3.296 1.00 0.00 O ATOM 489 NE2 GLN A 33 128.286 -17.885 -1.762 1.00 0.00 N ATOM 0 H GLN A 33 126.853 -16.619 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 33 123.919 -16.179 -1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 33 123.969 -18.718 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 33 124.515 -18.265 -2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.459 -18.448 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 33 126.052 -19.858 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 33 128.534 -17.836 -0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 33 128.957 -17.589 -2.471 1.00 0.00 H new ATOM 498 N GLN A 34 123.998 -15.458 1.029 1.00 0.00 N ATOM 499 CA GLN A 34 123.748 -15.290 2.485 1.00 0.00 C ATOM 500 C GLN A 34 122.802 -14.111 2.707 1.00 0.00 C ATOM 501 O GLN A 34 122.120 -13.670 1.803 1.00 0.00 O ATOM 502 CB GLN A 34 125.073 -15.024 3.204 1.00 0.00 C ATOM 503 CG GLN A 34 125.696 -13.731 2.673 1.00 0.00 C ATOM 504 CD GLN A 34 127.040 -13.494 3.364 1.00 0.00 C ATOM 505 OE1 GLN A 34 127.550 -14.364 4.042 1.00 0.00 O ATOM 506 NE2 GLN A 34 127.642 -12.345 3.218 1.00 0.00 N ATOM 0 H GLN A 34 123.765 -14.649 0.452 1.00 0.00 H new ATOM 0 HA GLN A 34 123.296 -16.199 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 34 124.906 -14.944 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 34 125.756 -15.859 3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 34 125.836 -13.798 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 34 125.027 -12.890 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 34 127.215 -11.614 2.649 1.00 0.00 H new ATOM 0 HE22 GLN A 34 128.540 -12.178 3.673 1.00 0.00 H new ATOM 515 N ASP A 35 122.743 -13.604 3.908 1.00 0.00 N ATOM 516 CA ASP A 35 121.826 -12.465 4.191 1.00 0.00 C ATOM 517 C ASP A 35 122.201 -11.283 3.299 1.00 0.00 C ATOM 518 O ASP A 35 123.364 -11.002 3.088 1.00 0.00 O ATOM 519 CB ASP A 35 121.978 -12.049 5.658 1.00 0.00 C ATOM 520 CG ASP A 35 122.074 -13.295 6.540 1.00 0.00 C ATOM 521 OD1 ASP A 35 121.936 -14.384 6.010 1.00 0.00 O ATOM 522 OD2 ASP A 35 122.289 -13.138 7.731 1.00 0.00 O ATOM 0 H ASP A 35 123.290 -13.929 4.705 1.00 0.00 H new ATOM 0 HA ASP A 35 120.797 -12.766 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.870 -11.435 5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.127 -11.440 5.963 1.00 0.00 H new ATOM 527 N ILE A 36 121.230 -10.580 2.775 1.00 0.00 N ATOM 528 CA ILE A 36 121.552 -9.413 1.906 1.00 0.00 C ATOM 529 C ILE A 36 121.476 -8.147 2.749 1.00 0.00 C ATOM 530 O ILE A 36 120.466 -7.865 3.355 1.00 0.00 O ATOM 531 CB ILE A 36 120.540 -9.327 0.763 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.519 -10.655 -0.001 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.932 -8.195 -0.187 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.938 -11.017 -0.451 1.00 0.00 C ATOM 0 H ILE A 36 120.236 -10.763 2.911 1.00 0.00 H new ATOM 0 HA ILE A 36 122.552 -9.526 1.487 1.00 0.00 H new ATOM 0 HB ILE A 36 119.549 -9.127 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 36 120.117 -11.444 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.862 -10.577 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 36 120.209 -8.136 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.944 -7.251 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.923 -8.390 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.918 -11.962 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.324 -10.233 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.583 -11.114 0.422 1.00 0.00 H new ATOM 546 N VAL A 37 122.540 -7.390 2.810 1.00 0.00 N ATOM 547 CA VAL A 37 122.533 -6.147 3.639 1.00 0.00 C ATOM 548 C VAL A 37 122.776 -4.919 2.766 1.00 0.00 C ATOM 549 O VAL A 37 123.697 -4.875 1.975 1.00 0.00 O ATOM 550 CB VAL A 37 123.639 -6.236 4.689 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.813 -4.873 5.360 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.260 -7.280 5.743 1.00 0.00 C ATOM 0 H VAL A 37 123.415 -7.579 2.321 1.00 0.00 H new ATOM 0 HA VAL A 37 121.560 -6.053 4.121 1.00 0.00 H new ATOM 0 HB VAL A 37 124.574 -6.528 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.602 -4.935 6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.083 -4.130 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.879 -4.582 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.049 -7.344 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.326 -6.989 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.135 -8.251 5.264 1.00 0.00 H new ATOM 562 N CYS A 38 121.971 -3.906 2.926 1.00 0.00 N ATOM 563 CA CYS A 38 122.178 -2.668 2.130 1.00 0.00 C ATOM 564 C CYS A 38 122.851 -1.630 3.027 1.00 0.00 C ATOM 565 O CYS A 38 122.215 -1.020 3.865 1.00 0.00 O ATOM 566 CB CYS A 38 120.831 -2.121 1.664 1.00 0.00 C ATOM 567 SG CYS A 38 120.092 -3.243 0.449 1.00 0.00 S ATOM 0 H CYS A 38 121.182 -3.883 3.572 1.00 0.00 H new ATOM 0 HA CYS A 38 122.797 -2.886 1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.162 -2.004 2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.963 -1.132 1.225 1.00 0.00 H new ATOM 572 N THR A 39 124.131 -1.426 2.872 1.00 0.00 N ATOM 573 CA THR A 39 124.830 -0.439 3.737 1.00 0.00 C ATOM 574 C THR A 39 124.856 0.920 3.044 1.00 0.00 C ATOM 575 O THR A 39 125.399 1.074 1.968 1.00 0.00 O ATOM 576 CB THR A 39 126.268 -0.911 3.981 1.00 0.00 C ATOM 577 OG1 THR A 39 126.248 -2.177 4.624 1.00 0.00 O ATOM 578 CG2 THR A 39 126.998 0.100 4.868 1.00 0.00 C ATOM 0 H THR A 39 124.719 -1.899 2.186 1.00 0.00 H new ATOM 0 HA THR A 39 124.304 -0.351 4.688 1.00 0.00 H new ATOM 0 HB THR A 39 126.787 -0.995 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.167 -2.480 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 39 128.020 -0.238 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.015 1.072 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.479 0.188 5.823 1.00 0.00 H new ATOM 586 N VAL A 40 124.276 1.908 3.665 1.00 0.00 N ATOM 587 CA VAL A 40 124.266 3.273 3.056 1.00 0.00 C ATOM 588 C VAL A 40 124.488 4.319 4.152 1.00 0.00 C ATOM 589 O VAL A 40 123.983 4.198 5.253 1.00 0.00 O ATOM 590 CB VAL A 40 122.921 3.521 2.369 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.832 2.679 1.093 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.787 3.130 3.316 1.00 0.00 C ATOM 0 H VAL A 40 123.808 1.833 4.568 1.00 0.00 H new ATOM 0 HA VAL A 40 125.063 3.348 2.317 1.00 0.00 H new ATOM 0 HB VAL A 40 122.835 4.577 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.873 2.857 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.640 2.957 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.919 1.623 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.828 3.306 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.875 2.074 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 40 121.848 3.730 4.224 1.00 0.00 H new ATOM 602 N LYS A 41 125.241 5.344 3.866 1.00 0.00 N ATOM 603 CA LYS A 41 125.487 6.388 4.899 1.00 0.00 C ATOM 604 C LYS A 41 124.370 7.431 4.845 1.00 0.00 C ATOM 605 O LYS A 41 124.036 7.945 3.795 1.00 0.00 O ATOM 606 CB LYS A 41 126.833 7.066 4.633 1.00 0.00 C ATOM 607 CG LYS A 41 127.108 8.097 5.729 1.00 0.00 C ATOM 608 CD LYS A 41 128.477 8.737 5.496 1.00 0.00 C ATOM 609 CE LYS A 41 128.759 9.757 6.599 1.00 0.00 C ATOM 610 NZ LYS A 41 128.806 9.064 7.918 1.00 0.00 N ATOM 0 H LYS A 41 125.695 5.504 2.966 1.00 0.00 H new ATOM 0 HA LYS A 41 125.505 5.925 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 41 127.629 6.322 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.822 7.551 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 41 126.332 8.862 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.080 7.619 6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.252 7.970 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 41 128.501 9.224 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 41 129.706 10.262 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 41 127.984 10.524 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 129.316 9.657 8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 127.837 8.898 8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 129.297 8.153 7.814 1.00 0.00 H new ATOM 624 N ALA A 42 123.784 7.742 5.967 1.00 0.00 N ATOM 625 CA ALA A 42 122.684 8.747 5.981 1.00 0.00 C ATOM 626 C ALA A 42 123.240 10.107 6.408 1.00 0.00 C ATOM 627 O ALA A 42 124.288 10.196 7.015 1.00 0.00 O ATOM 628 CB ALA A 42 121.601 8.304 6.966 1.00 0.00 C ATOM 0 H ALA A 42 124.019 7.344 6.876 1.00 0.00 H new ATOM 0 HA ALA A 42 122.254 8.829 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.796 9.039 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.204 7.336 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.030 8.221 7.965 1.00 0.00 H new ATOM 634 N HIS A 43 122.545 11.169 6.094 1.00 0.00 N ATOM 635 CA HIS A 43 123.036 12.526 6.476 1.00 0.00 C ATOM 636 C HIS A 43 121.881 13.343 7.063 1.00 0.00 C ATOM 637 O HIS A 43 120.725 13.107 6.775 1.00 0.00 O ATOM 638 CB HIS A 43 123.583 13.239 5.235 1.00 0.00 C ATOM 639 CG HIS A 43 124.467 14.377 5.658 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.790 14.188 6.034 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.235 15.726 5.772 1.00 0.00 C ATOM 642 CE1 HIS A 43 126.298 15.393 6.352 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.391 16.360 6.209 1.00 0.00 N ATOM 0 H HIS A 43 121.659 11.155 5.590 1.00 0.00 H new ATOM 0 HA HIS A 43 123.827 12.428 7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.145 12.538 4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.760 13.611 4.625 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.298 16.218 5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 43 127.313 15.556 6.682 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.519 17.357 6.384 1.00 0.00 H new ATOM 652 N ALA A 44 122.192 14.297 7.896 1.00 0.00 N ATOM 653 CA ALA A 44 121.123 15.129 8.521 1.00 0.00 C ATOM 654 C ALA A 44 120.239 15.740 7.431 1.00 0.00 C ATOM 655 O ALA A 44 119.084 16.041 7.654 1.00 0.00 O ATOM 656 CB ALA A 44 121.772 16.250 9.345 1.00 0.00 C ATOM 0 H ALA A 44 123.144 14.538 8.172 1.00 0.00 H new ATOM 0 HA ALA A 44 120.509 14.505 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.995 16.861 9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.398 15.814 10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.385 16.872 8.693 1.00 0.00 H new ATOM 662 N ASN A 45 120.772 15.928 6.257 1.00 0.00 N ATOM 663 CA ASN A 45 119.960 16.520 5.157 1.00 0.00 C ATOM 664 C ASN A 45 119.451 15.412 4.232 1.00 0.00 C ATOM 665 O ASN A 45 118.435 15.548 3.581 1.00 0.00 O ATOM 666 CB ASN A 45 120.829 17.486 4.349 1.00 0.00 C ATOM 667 CG ASN A 45 121.143 18.723 5.192 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.467 18.999 6.163 1.00 0.00 O ATOM 669 ND2 ASN A 45 122.149 19.485 4.861 1.00 0.00 N ATOM 0 H ASN A 45 121.735 15.698 6.011 1.00 0.00 H new ATOM 0 HA ASN A 45 119.111 17.053 5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.754 16.994 4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 45 120.312 17.778 3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.367 20.312 5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.717 19.254 4.046 1.00 0.00 H new ATOM 676 N ASP A 46 120.159 14.319 4.159 1.00 0.00 N ATOM 677 CA ASP A 46 119.730 13.208 3.262 1.00 0.00 C ATOM 678 C ASP A 46 118.466 12.546 3.811 1.00 0.00 C ATOM 679 O ASP A 46 118.380 12.226 4.981 1.00 0.00 O ATOM 680 CB ASP A 46 120.845 12.165 3.184 1.00 0.00 C ATOM 681 CG ASP A 46 121.944 12.651 2.236 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.686 13.578 1.486 1.00 0.00 O ATOM 683 OD2 ASP A 46 123.026 12.090 2.278 1.00 0.00 O ATOM 0 H ASP A 46 121.017 14.147 4.682 1.00 0.00 H new ATOM 0 HA ASP A 46 119.523 13.611 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.260 11.988 4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.443 11.215 2.833 1.00 0.00 H new ATOM 688 N LEU A 47 117.485 12.328 2.977 1.00 0.00 N ATOM 689 CA LEU A 47 116.235 11.676 3.457 1.00 0.00 C ATOM 690 C LEU A 47 116.494 10.180 3.585 1.00 0.00 C ATOM 691 O LEU A 47 117.233 9.614 2.802 1.00 0.00 O ATOM 692 CB LEU A 47 115.106 11.909 2.449 1.00 0.00 C ATOM 693 CG LEU A 47 115.022 13.397 2.100 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.763 13.654 1.272 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.971 14.227 3.383 1.00 0.00 C ATOM 0 H LEU A 47 117.496 12.573 1.987 1.00 0.00 H new ATOM 0 HA LEU A 47 115.943 12.097 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.285 11.324 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.158 11.570 2.866 1.00 0.00 H new ATOM 0 HG LEU A 47 115.902 13.683 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.702 14.713 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.805 13.067 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.884 13.365 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 47 114.911 15.285 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 47 114.094 13.943 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.871 14.045 3.970 1.00 0.00 H new ATOM 707 N ILE A 48 115.904 9.524 4.559 1.00 0.00 N ATOM 708 CA ILE A 48 116.138 8.058 4.718 1.00 0.00 C ATOM 709 C ILE A 48 114.823 7.290 4.534 1.00 0.00 C ATOM 710 O ILE A 48 113.781 7.681 5.018 1.00 0.00 O ATOM 711 CB ILE A 48 116.690 7.788 6.121 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.802 8.471 7.164 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.111 8.343 6.229 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.218 8.022 8.565 1.00 0.00 C ATOM 0 H ILE A 48 115.275 9.941 5.245 1.00 0.00 H new ATOM 0 HA ILE A 48 116.852 7.725 3.965 1.00 0.00 H new ATOM 0 HB ILE A 48 116.702 6.713 6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.889 9.554 7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.756 8.220 6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.502 8.150 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.748 7.858 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.097 9.417 6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.585 8.509 9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.108 6.941 8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.258 8.295 8.741 1.00 0.00 H new ATOM 726 N GLY A 49 114.877 6.198 3.828 1.00 0.00 N ATOM 727 CA GLY A 49 113.637 5.397 3.601 1.00 0.00 C ATOM 728 C GLY A 49 113.957 4.213 2.688 1.00 0.00 C ATOM 729 O GLY A 49 114.879 4.260 1.907 1.00 0.00 O ATOM 0 H GLY A 49 115.722 5.823 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.242 5.040 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.866 6.021 3.149 1.00 0.00 H new ATOM 733 N PHE A 50 113.204 3.150 2.777 1.00 0.00 N ATOM 734 CA PHE A 50 113.482 1.966 1.908 1.00 0.00 C ATOM 735 C PHE A 50 112.165 1.328 1.461 1.00 0.00 C ATOM 736 O PHE A 50 111.097 1.711 1.895 1.00 0.00 O ATOM 737 CB PHE A 50 114.310 0.941 2.686 1.00 0.00 C ATOM 738 CG PHE A 50 113.520 0.438 3.870 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.595 1.107 5.097 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.715 -0.701 3.741 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.864 0.637 6.195 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.986 -1.170 4.838 1.00 0.00 C ATOM 743 CZ PHE A 50 112.059 -0.502 6.066 1.00 0.00 C ATOM 0 H PHE A 50 112.411 3.048 3.411 1.00 0.00 H new ATOM 0 HA PHE A 50 114.039 2.291 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.579 0.108 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.242 1.394 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 50 114.216 1.985 5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.657 -1.217 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.921 1.153 7.142 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.366 -2.049 4.738 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.495 -0.864 6.913 1.00 0.00 H new ATOM 753 N LYS A 51 112.236 0.357 0.589 1.00 0.00 N ATOM 754 CA LYS A 51 110.985 -0.302 0.109 1.00 0.00 C ATOM 755 C LYS A 51 111.251 -1.778 -0.171 1.00 0.00 C ATOM 756 O LYS A 51 112.312 -2.147 -0.635 1.00 0.00 O ATOM 757 CB LYS A 51 110.507 0.388 -1.168 1.00 0.00 C ATOM 758 CG LYS A 51 109.263 -0.322 -1.712 1.00 0.00 C ATOM 759 CD LYS A 51 108.778 0.398 -2.972 1.00 0.00 C ATOM 760 CE LYS A 51 107.537 -0.310 -3.517 1.00 0.00 C ATOM 761 NZ LYS A 51 106.344 0.087 -2.717 1.00 0.00 N ATOM 0 H LYS A 51 113.101 -0.007 0.190 1.00 0.00 H new ATOM 0 HA LYS A 51 110.216 -0.220 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.278 1.434 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.299 0.376 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.495 -1.362 -1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.476 -0.329 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.545 1.438 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.566 0.406 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.388 -0.050 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 51 107.674 -1.391 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 105.479 -0.212 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.384 -0.370 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 106.335 1.120 -2.597 1.00 0.00 H new ATOM 775 N CYS A 52 110.285 -2.625 0.091 1.00 0.00 N ATOM 776 CA CYS A 52 110.452 -4.081 -0.170 1.00 0.00 C ATOM 777 C CYS A 52 109.323 -4.532 -1.111 1.00 0.00 C ATOM 778 O CYS A 52 108.255 -3.953 -1.115 1.00 0.00 O ATOM 779 CB CYS A 52 110.353 -4.839 1.162 1.00 0.00 C ATOM 780 SG CYS A 52 111.736 -4.368 2.233 1.00 0.00 S ATOM 0 H CYS A 52 109.379 -2.362 0.479 1.00 0.00 H new ATOM 0 HA CYS A 52 111.420 -4.284 -0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.406 -4.611 1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.369 -5.914 0.982 1.00 0.00 H new ATOM 785 N PRO A 53 109.545 -5.554 -1.901 1.00 0.00 N ATOM 786 CA PRO A 53 108.512 -6.070 -2.849 1.00 0.00 C ATOM 787 C PRO A 53 107.172 -6.337 -2.151 1.00 0.00 C ATOM 788 O PRO A 53 107.114 -6.617 -0.972 1.00 0.00 O ATOM 789 CB PRO A 53 109.119 -7.374 -3.404 1.00 0.00 C ATOM 790 CG PRO A 53 110.320 -7.660 -2.558 1.00 0.00 C ATOM 791 CD PRO A 53 110.787 -6.328 -1.996 1.00 0.00 C ATOM 0 HA PRO A 53 108.285 -5.346 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.401 -8.192 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.397 -7.260 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.071 -8.353 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.107 -8.128 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.264 -6.446 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.513 -5.846 -2.651 1.00 0.00 H new ATOM 799 N SER A 54 106.096 -6.229 -2.878 1.00 0.00 N ATOM 800 CA SER A 54 104.751 -6.451 -2.273 1.00 0.00 C ATOM 801 C SER A 54 104.536 -7.937 -1.968 1.00 0.00 C ATOM 802 O SER A 54 103.615 -8.302 -1.266 1.00 0.00 O ATOM 803 CB SER A 54 103.672 -5.976 -3.248 1.00 0.00 C ATOM 804 OG SER A 54 103.558 -4.562 -3.168 1.00 0.00 O ATOM 0 H SER A 54 106.089 -5.995 -3.871 1.00 0.00 H new ATOM 0 HA SER A 54 104.689 -5.888 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.927 -6.275 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.717 -6.444 -3.008 1.00 0.00 H new ATOM 0 HG SER A 54 102.869 -4.254 -3.793 1.00 0.00 H new ATOM 810 N ASN A 55 105.362 -8.799 -2.493 1.00 0.00 N ATOM 811 CA ASN A 55 105.177 -10.256 -2.231 1.00 0.00 C ATOM 812 C ASN A 55 105.971 -10.675 -0.991 1.00 0.00 C ATOM 813 O ASN A 55 105.937 -11.817 -0.584 1.00 0.00 O ATOM 814 CB ASN A 55 105.677 -11.052 -3.437 1.00 0.00 C ATOM 815 CG ASN A 55 104.852 -10.687 -4.671 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.638 -10.715 -4.637 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.466 -10.341 -5.769 1.00 0.00 N ATOM 0 H ASN A 55 106.154 -8.560 -3.090 1.00 0.00 H new ATOM 0 HA ASN A 55 104.119 -10.455 -2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.731 -10.838 -3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.598 -12.121 -3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.927 -10.094 -6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.485 -10.317 -5.798 1.00 0.00 H new ATOM 824 N TYR A 56 106.679 -9.762 -0.388 1.00 0.00 N ATOM 825 CA TYR A 56 107.478 -10.102 0.833 1.00 0.00 C ATOM 826 C TYR A 56 106.836 -9.492 2.080 1.00 0.00 C ATOM 827 O TYR A 56 106.001 -8.613 1.992 1.00 0.00 O ATOM 828 CB TYR A 56 108.903 -9.578 0.668 1.00 0.00 C ATOM 829 CG TYR A 56 109.696 -10.549 -0.177 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.401 -10.707 -1.536 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.740 -11.281 0.401 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.147 -11.597 -2.316 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.486 -12.173 -0.379 1.00 0.00 C ATOM 834 CZ TYR A 56 111.190 -12.330 -1.738 1.00 0.00 C ATOM 835 OH TYR A 56 111.927 -13.207 -2.508 1.00 0.00 O ATOM 0 H TYR A 56 106.742 -8.789 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 56 107.500 -11.185 0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.889 -8.595 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.374 -9.458 1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.597 -10.141 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.970 -11.158 1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.918 -11.719 -3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.290 -12.740 0.068 1.00 0.00 H new ATOM 0 HH TYR A 56 112.612 -13.634 -1.952 1.00 0.00 H new ATOM 845 N SER A 57 107.221 -9.952 3.247 1.00 0.00 N ATOM 846 CA SER A 57 106.634 -9.394 4.499 1.00 0.00 C ATOM 847 C SER A 57 107.660 -8.472 5.162 1.00 0.00 C ATOM 848 O SER A 57 108.833 -8.780 5.221 1.00 0.00 O ATOM 849 CB SER A 57 106.287 -10.537 5.451 1.00 0.00 C ATOM 850 OG SER A 57 105.801 -9.998 6.673 1.00 0.00 O ATOM 0 H SER A 57 107.914 -10.688 3.383 1.00 0.00 H new ATOM 0 HA SER A 57 105.730 -8.832 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.535 -11.185 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.168 -11.152 5.636 1.00 0.00 H new ATOM 0 HG SER A 57 105.576 -10.729 7.286 1.00 0.00 H new ATOM 856 N VAL A 58 107.235 -7.339 5.654 1.00 0.00 N ATOM 857 CA VAL A 58 108.204 -6.407 6.296 1.00 0.00 C ATOM 858 C VAL A 58 108.262 -6.661 7.805 1.00 0.00 C ATOM 859 O VAL A 58 107.275 -6.560 8.506 1.00 0.00 O ATOM 860 CB VAL A 58 107.777 -4.957 6.034 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.349 -4.808 4.572 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.609 -4.585 6.949 1.00 0.00 C ATOM 0 H VAL A 58 106.266 -7.021 5.639 1.00 0.00 H new ATOM 0 HA VAL A 58 109.193 -6.578 5.870 1.00 0.00 H new ATOM 0 HB VAL A 58 108.617 -4.293 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.045 -3.778 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.184 -5.064 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.512 -5.476 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.311 -3.554 6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.767 -5.249 6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.916 -4.687 7.990 1.00 0.00 H new ATOM 872 N GLU A 59 109.427 -6.969 8.301 1.00 0.00 N ATOM 873 CA GLU A 59 109.595 -7.213 9.762 1.00 0.00 C ATOM 874 C GLU A 59 110.719 -6.302 10.271 1.00 0.00 C ATOM 875 O GLU A 59 111.814 -6.331 9.749 1.00 0.00 O ATOM 876 CB GLU A 59 109.991 -8.672 10.007 1.00 0.00 C ATOM 877 CG GLU A 59 108.744 -9.561 9.979 1.00 0.00 C ATOM 878 CD GLU A 59 109.128 -10.969 9.516 1.00 0.00 C ATOM 879 OE1 GLU A 59 110.017 -11.547 10.120 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.530 -11.443 8.565 1.00 0.00 O ATOM 0 H GLU A 59 110.281 -7.063 7.751 1.00 0.00 H new ATOM 0 HA GLU A 59 108.660 -7.005 10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.699 -8.999 9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.493 -8.765 10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.293 -9.604 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.998 -9.137 9.307 1.00 0.00 H new ATOM 887 N PRO A 60 110.470 -5.490 11.267 1.00 0.00 N ATOM 888 CA PRO A 60 111.509 -4.573 11.803 1.00 0.00 C ATOM 889 C PRO A 60 112.501 -5.297 12.712 1.00 0.00 C ATOM 890 O PRO A 60 112.154 -5.746 13.780 1.00 0.00 O ATOM 891 CB PRO A 60 110.700 -3.560 12.613 1.00 0.00 C ATOM 892 CG PRO A 60 109.493 -4.308 13.069 1.00 0.00 C ATOM 893 CD PRO A 60 109.194 -5.347 11.990 1.00 0.00 C ATOM 0 HA PRO A 60 112.110 -4.128 11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.274 -3.183 13.459 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.424 -2.698 12.005 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.674 -4.788 14.030 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.647 -3.634 13.204 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.874 -6.294 12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.395 -5.015 11.327 1.00 0.00 H new ATOM 901 N HIS A 61 113.736 -5.396 12.303 1.00 0.00 N ATOM 902 CA HIS A 61 114.750 -6.071 13.158 1.00 0.00 C ATOM 903 C HIS A 61 115.449 -5.006 14.003 1.00 0.00 C ATOM 904 O HIS A 61 115.981 -5.275 15.060 1.00 0.00 O ATOM 905 CB HIS A 61 115.772 -6.794 12.279 1.00 0.00 C ATOM 906 CG HIS A 61 116.472 -7.847 13.094 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.089 -7.557 14.304 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.664 -9.192 12.889 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.617 -8.702 14.775 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.386 -9.725 13.950 1.00 0.00 N ATOM 0 H HIS A 61 114.086 -5.039 11.414 1.00 0.00 H new ATOM 0 HA HIS A 61 114.269 -6.805 13.804 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.274 -7.251 11.424 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.497 -6.082 11.884 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.134 -6.643 14.754 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.309 -9.749 12.035 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.160 -8.783 15.705 1.00 0.00 H new ATOM 919 N ASP A 62 115.434 -3.792 13.530 1.00 0.00 N ATOM 920 CA ASP A 62 116.076 -2.675 14.273 1.00 0.00 C ATOM 921 C ASP A 62 115.698 -1.362 13.586 1.00 0.00 C ATOM 922 O ASP A 62 116.538 -0.536 13.299 1.00 0.00 O ATOM 923 CB ASP A 62 117.596 -2.851 14.262 1.00 0.00 C ATOM 924 CG ASP A 62 118.243 -1.743 15.096 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.528 -0.847 15.514 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.445 -1.809 15.303 1.00 0.00 O ATOM 0 H ASP A 62 114.998 -3.524 12.648 1.00 0.00 H new ATOM 0 HA ASP A 62 115.735 -2.667 15.308 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.863 -3.828 14.666 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.970 -2.816 13.239 1.00 0.00 H new ATOM 931 N CYS A 63 114.432 -1.176 13.308 1.00 0.00 N ATOM 932 CA CYS A 63 113.983 0.073 12.626 1.00 0.00 C ATOM 933 C CYS A 63 114.078 1.253 13.593 1.00 0.00 C ATOM 934 O CYS A 63 114.877 1.241 14.510 1.00 0.00 O ATOM 935 CB CYS A 63 112.541 -0.100 12.136 1.00 0.00 C ATOM 936 SG CYS A 63 112.497 -1.389 10.867 1.00 0.00 S ATOM 0 H CYS A 63 113.688 -1.839 13.526 1.00 0.00 H new ATOM 0 HA CYS A 63 114.626 0.271 11.769 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.891 -0.370 12.968 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.166 0.840 11.730 1.00 0.00 H new ATOM 941 N PHE A 64 113.288 2.282 13.390 1.00 0.00 N ATOM 942 CA PHE A 64 113.359 3.470 14.297 1.00 0.00 C ATOM 943 C PHE A 64 112.084 3.615 15.142 1.00 0.00 C ATOM 944 O PHE A 64 112.157 3.804 16.340 1.00 0.00 O ATOM 945 CB PHE A 64 113.572 4.735 13.467 1.00 0.00 C ATOM 946 CG PHE A 64 112.756 4.666 12.200 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.248 3.969 11.089 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.515 5.307 12.131 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.495 3.909 9.911 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.763 5.247 10.952 1.00 0.00 C ATOM 951 CZ PHE A 64 111.251 4.549 9.842 1.00 0.00 C ATOM 0 H PHE A 64 112.601 2.349 12.639 1.00 0.00 H new ATOM 0 HA PHE A 64 114.197 3.324 14.978 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.285 5.612 14.047 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.629 4.846 13.223 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.208 3.478 11.142 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.137 5.848 12.986 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.873 3.369 9.055 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.804 5.741 10.899 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.669 4.504 8.933 1.00 0.00 H new ATOM 961 N VAL A 65 110.916 3.559 14.552 1.00 0.00 N ATOM 962 CA VAL A 65 109.680 3.729 15.378 1.00 0.00 C ATOM 963 C VAL A 65 109.633 2.643 16.452 1.00 0.00 C ATOM 964 O VAL A 65 109.419 2.916 17.617 1.00 0.00 O ATOM 965 CB VAL A 65 108.439 3.604 14.487 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.183 3.585 15.359 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.367 4.791 13.525 1.00 0.00 C ATOM 0 H VAL A 65 110.765 3.406 13.555 1.00 0.00 H new ATOM 0 HA VAL A 65 109.696 4.713 15.846 1.00 0.00 H new ATOM 0 HB VAL A 65 108.503 2.679 13.915 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.301 3.496 14.725 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.226 2.736 16.041 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.125 4.509 15.934 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.483 4.696 12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.308 5.718 14.095 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.259 4.806 12.899 1.00 0.00 H new ATOM 977 N SER A 66 109.848 1.418 16.073 1.00 0.00 N ATOM 978 CA SER A 66 109.839 0.310 17.065 1.00 0.00 C ATOM 979 C SER A 66 110.562 -0.888 16.457 1.00 0.00 C ATOM 980 O SER A 66 110.291 -1.271 15.337 1.00 0.00 O ATOM 981 CB SER A 66 108.397 -0.072 17.398 1.00 0.00 C ATOM 982 OG SER A 66 108.400 -1.138 18.340 1.00 0.00 O ATOM 0 H SER A 66 110.031 1.133 15.111 1.00 0.00 H new ATOM 0 HA SER A 66 110.340 0.624 17.981 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.866 0.788 17.806 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.870 -0.373 16.493 1.00 0.00 H new ATOM 0 HG SER A 66 107.477 -1.385 18.558 1.00 0.00 H new ATOM 988 N ALA A 67 111.485 -1.479 17.168 1.00 0.00 N ATOM 989 CA ALA A 67 112.219 -2.641 16.591 1.00 0.00 C ATOM 990 C ALA A 67 113.138 -3.266 17.641 1.00 0.00 C ATOM 991 O ALA A 67 113.189 -2.842 18.777 1.00 0.00 O ATOM 992 CB ALA A 67 113.063 -2.162 15.414 1.00 0.00 C ATOM 0 H ALA A 67 111.760 -1.211 18.113 1.00 0.00 H new ATOM 0 HA ALA A 67 111.497 -3.388 16.261 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.603 -3.006 14.986 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.414 -1.724 14.655 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.775 -1.412 15.758 1.00 0.00 H new ATOM 998 N PHE A 68 113.863 -4.278 17.253 1.00 0.00 N ATOM 999 CA PHE A 68 114.786 -4.954 18.209 1.00 0.00 C ATOM 1000 C PHE A 68 116.171 -4.313 18.079 1.00 0.00 C ATOM 1001 O PHE A 68 116.723 -4.227 17.000 1.00 0.00 O ATOM 1002 CB PHE A 68 114.886 -6.445 17.866 1.00 0.00 C ATOM 1003 CG PHE A 68 113.505 -7.014 17.630 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.822 -6.710 16.446 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.913 -7.855 18.581 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.550 -7.242 16.212 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.637 -8.387 18.344 1.00 0.00 C ATOM 1008 CZ PHE A 68 110.958 -8.079 17.157 1.00 0.00 C ATOM 0 H PHE A 68 113.856 -4.668 16.311 1.00 0.00 H new ATOM 0 HA PHE A 68 114.411 -4.846 19.227 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.502 -6.582 16.977 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.376 -6.982 18.679 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.279 -6.063 15.712 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.438 -8.093 19.494 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.026 -7.004 15.298 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.177 -9.034 19.076 1.00 0.00 H new ATOM 0 HZ PHE A 68 109.976 -8.490 16.974 1.00 0.00 H new ATOM 1018 N ASN A 69 116.731 -3.847 19.162 1.00 0.00 N ATOM 1019 CA ASN A 69 118.071 -3.198 19.085 1.00 0.00 C ATOM 1020 C ASN A 69 119.144 -4.252 18.803 1.00 0.00 C ATOM 1021 O ASN A 69 118.851 -5.406 18.568 1.00 0.00 O ATOM 1022 CB ASN A 69 118.379 -2.502 20.413 1.00 0.00 C ATOM 1023 CG ASN A 69 117.479 -1.275 20.566 1.00 0.00 C ATOM 1024 OD1 ASN A 69 116.924 -0.789 19.601 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.310 -0.749 21.749 1.00 0.00 N ATOM 0 H ASN A 69 116.320 -3.887 20.095 1.00 0.00 H new ATOM 0 HA ASN A 69 118.067 -2.464 18.279 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.218 -3.190 21.243 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.427 -2.204 20.445 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.712 0.070 21.862 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.776 -1.157 22.560 1.00 0.00 H new ATOM 1032 N LEU A 70 120.388 -3.860 18.827 1.00 0.00 N ATOM 1033 CA LEU A 70 121.484 -4.832 18.562 1.00 0.00 C ATOM 1034 C LEU A 70 121.493 -5.887 19.668 1.00 0.00 C ATOM 1035 O LEU A 70 121.999 -6.978 19.495 1.00 0.00 O ATOM 1036 CB LEU A 70 122.828 -4.099 18.536 1.00 0.00 C ATOM 1037 CG LEU A 70 123.035 -3.457 17.163 1.00 0.00 C ATOM 1038 CD1 LEU A 70 121.947 -2.411 16.918 1.00 0.00 C ATOM 1039 CD2 LEU A 70 124.408 -2.780 17.115 1.00 0.00 C ATOM 0 H LEU A 70 120.693 -2.906 19.019 1.00 0.00 H new ATOM 0 HA LEU A 70 121.323 -5.313 17.597 1.00 0.00 H new ATOM 0 HB2 LEU A 70 122.852 -3.335 19.313 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.638 -4.796 18.749 1.00 0.00 H new ATOM 0 HG LEU A 70 122.981 -4.227 16.393 1.00 0.00 H new ATOM 0 HD11 LEU A 70 122.095 -1.954 15.940 1.00 0.00 H new ATOM 0 HD12 LEU A 70 120.968 -2.890 16.950 1.00 0.00 H new ATOM 0 HD13 LEU A 70 122.001 -1.643 17.689 1.00 0.00 H new ATOM 0 HD21 LEU A 70 124.554 -2.323 16.136 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.462 -2.011 17.886 1.00 0.00 H new ATOM 0 HD23 LEU A 70 125.186 -3.523 17.288 1.00 0.00 H new ATOM 1051 N SER A 71 120.924 -5.575 20.801 1.00 0.00 N ATOM 1052 CA SER A 71 120.885 -6.564 21.913 1.00 0.00 C ATOM 1053 C SER A 71 119.715 -7.523 21.684 1.00 0.00 C ATOM 1054 O SER A 71 119.563 -8.513 22.372 1.00 0.00 O ATOM 1055 CB SER A 71 120.685 -5.827 23.237 1.00 0.00 C ATOM 1056 OG SER A 71 121.750 -4.907 23.430 1.00 0.00 O ATOM 0 H SER A 71 120.485 -4.677 21.003 1.00 0.00 H new ATOM 0 HA SER A 71 121.820 -7.123 21.946 1.00 0.00 H new ATOM 0 HB2 SER A 71 119.731 -5.300 23.232 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.651 -6.540 24.061 1.00 0.00 H new ATOM 0 HG SER A 71 121.623 -4.432 24.278 1.00 0.00 H new ATOM 1062 N GLY A 72 118.889 -7.233 20.713 1.00 0.00 N ATOM 1063 CA GLY A 72 117.727 -8.119 20.424 1.00 0.00 C ATOM 1064 C GLY A 72 116.559 -7.753 21.341 1.00 0.00 C ATOM 1065 O GLY A 72 115.632 -8.518 21.514 1.00 0.00 O ATOM 0 H GLY A 72 118.971 -6.417 20.106 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.429 -8.015 19.381 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.006 -9.162 20.574 1.00 0.00 H new ATOM 1069 N LYS A 73 116.595 -6.586 21.927 1.00 0.00 N ATOM 1070 CA LYS A 73 115.483 -6.165 22.830 1.00 0.00 C ATOM 1071 C LYS A 73 114.613 -5.134 22.110 1.00 0.00 C ATOM 1072 O LYS A 73 115.097 -4.333 21.336 1.00 0.00 O ATOM 1073 CB LYS A 73 116.070 -5.547 24.106 1.00 0.00 C ATOM 1074 CG LYS A 73 116.521 -6.653 25.076 1.00 0.00 C ATOM 1075 CD LYS A 73 117.976 -7.023 24.792 1.00 0.00 C ATOM 1076 CE LYS A 73 118.409 -8.143 25.738 1.00 0.00 C ATOM 1077 NZ LYS A 73 117.638 -9.380 25.426 1.00 0.00 N ATOM 0 H LYS A 73 117.347 -5.905 21.820 1.00 0.00 H new ATOM 0 HA LYS A 73 114.875 -7.030 23.096 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.916 -4.908 23.853 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.325 -4.913 24.587 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.416 -6.312 26.106 1.00 0.00 H new ATOM 0 HG3 LYS A 73 115.884 -7.530 24.965 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.086 -7.344 23.756 1.00 0.00 H new ATOM 0 HD3 LYS A 73 118.617 -6.151 24.925 1.00 0.00 H new ATOM 0 HE2 LYS A 73 119.477 -8.331 25.632 1.00 0.00 H new ATOM 0 HE3 LYS A 73 118.239 -7.846 26.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 118.148 -10.209 25.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 116.700 -9.326 25.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 117.527 -9.469 24.396 1.00 0.00 H new ATOM 1091 N ASN A 74 113.330 -5.159 22.352 1.00 0.00 N ATOM 1092 CA ASN A 74 112.423 -4.192 21.669 1.00 0.00 C ATOM 1093 C ASN A 74 112.411 -2.859 22.421 1.00 0.00 C ATOM 1094 O ASN A 74 112.016 -2.786 23.568 1.00 0.00 O ATOM 1095 CB ASN A 74 111.005 -4.762 21.616 1.00 0.00 C ATOM 1096 CG ASN A 74 110.101 -3.805 20.833 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.439 -2.655 20.640 1.00 0.00 O ATOM 1098 ND2 ASN A 74 108.960 -4.237 20.370 1.00 0.00 N ATOM 0 H ASN A 74 112.871 -5.807 22.993 1.00 0.00 H new ATOM 0 HA ASN A 74 112.786 -4.025 20.655 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.013 -5.743 21.141 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.619 -4.900 22.626 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.352 -3.608 19.846 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.677 -5.203 20.532 1.00 0.00 H new ATOM 1105 N GLU A 75 112.842 -1.803 21.781 1.00 0.00 N ATOM 1106 CA GLU A 75 112.857 -0.475 22.457 1.00 0.00 C ATOM 1107 C GLU A 75 112.656 0.644 21.430 1.00 0.00 C ATOM 1108 O GLU A 75 113.234 0.628 20.360 1.00 0.00 O ATOM 1109 CB GLU A 75 114.211 -0.275 23.151 1.00 0.00 C ATOM 1110 CG GLU A 75 114.224 1.070 23.883 1.00 0.00 C ATOM 1111 CD GLU A 75 115.571 1.257 24.590 1.00 0.00 C ATOM 1112 OE1 GLU A 75 116.474 0.482 24.316 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.678 2.172 25.389 1.00 0.00 O ATOM 0 H GLU A 75 113.184 -1.804 20.820 1.00 0.00 H new ATOM 0 HA GLU A 75 112.050 -0.442 23.189 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.392 -1.086 23.857 1.00 0.00 H new ATOM 0 HB3 GLU A 75 115.015 -0.307 22.416 1.00 0.00 H new ATOM 0 HG2 GLU A 75 114.057 1.882 23.176 1.00 0.00 H new ATOM 0 HG3 GLU A 75 113.412 1.108 24.609 1.00 0.00 H new ATOM 1120 N ASN A 76 111.837 1.609 21.742 1.00 0.00 N ATOM 1121 CA ASN A 76 111.596 2.715 20.769 1.00 0.00 C ATOM 1122 C ASN A 76 112.919 3.421 20.464 1.00 0.00 C ATOM 1123 O ASN A 76 113.761 3.575 21.325 1.00 0.00 O ATOM 1124 CB ASN A 76 110.610 3.719 21.375 1.00 0.00 C ATOM 1125 CG ASN A 76 109.196 3.129 21.372 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.986 2.020 21.818 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.208 3.834 20.885 1.00 0.00 N ATOM 0 H ASN A 76 111.326 1.682 22.622 1.00 0.00 H new ATOM 0 HA ASN A 76 111.181 2.307 19.848 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.908 3.965 22.394 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.627 4.648 20.805 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.262 3.452 20.880 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.383 4.766 20.510 1.00 0.00 H new ATOM 1134 N LEU A 77 113.117 3.836 19.241 1.00 0.00 N ATOM 1135 CA LEU A 77 114.395 4.515 18.877 1.00 0.00 C ATOM 1136 C LEU A 77 114.216 6.037 18.959 1.00 0.00 C ATOM 1137 O LEU A 77 115.083 6.794 18.573 1.00 0.00 O ATOM 1138 CB LEU A 77 114.787 4.127 17.448 1.00 0.00 C ATOM 1139 CG LEU A 77 116.287 4.367 17.227 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.105 3.372 18.064 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.619 4.176 15.744 1.00 0.00 C ATOM 0 H LEU A 77 112.448 3.734 18.478 1.00 0.00 H new ATOM 0 HA LEU A 77 115.177 4.206 19.570 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.549 3.078 17.270 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.208 4.712 16.733 1.00 0.00 H new ATOM 0 HG LEU A 77 116.536 5.383 17.533 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.168 3.548 17.902 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.872 3.507 19.120 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.856 2.354 17.765 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.684 4.346 15.585 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.365 3.160 15.442 1.00 0.00 H new ATOM 0 HD23 LEU A 77 116.045 4.886 15.148 1.00 0.00 H new ATOM 1153 N GLU A 78 113.094 6.486 19.447 1.00 0.00 N ATOM 1154 CA GLU A 78 112.864 7.959 19.542 1.00 0.00 C ATOM 1155 C GLU A 78 113.791 8.567 20.601 1.00 0.00 C ATOM 1156 O GLU A 78 114.339 9.636 20.419 1.00 0.00 O ATOM 1157 CB GLU A 78 111.403 8.233 19.912 1.00 0.00 C ATOM 1158 CG GLU A 78 111.049 7.512 21.220 1.00 0.00 C ATOM 1159 CD GLU A 78 111.243 8.462 22.404 1.00 0.00 C ATOM 1160 OE1 GLU A 78 112.053 9.366 22.288 1.00 0.00 O ATOM 1161 OE2 GLU A 78 110.574 8.272 23.407 1.00 0.00 O ATOM 0 H GLU A 78 112.328 5.902 19.783 1.00 0.00 H new ATOM 0 HA GLU A 78 113.081 8.415 18.576 1.00 0.00 H new ATOM 0 HB2 GLU A 78 111.242 9.305 20.023 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.746 7.894 19.111 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.017 7.164 21.186 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.679 6.631 21.342 1.00 0.00 H new ATOM 1168 N ASN A 79 113.981 7.891 21.702 1.00 0.00 N ATOM 1169 CA ASN A 79 114.883 8.432 22.760 1.00 0.00 C ATOM 1170 C ASN A 79 116.301 8.561 22.193 1.00 0.00 C ATOM 1171 O ASN A 79 117.025 9.486 22.500 1.00 0.00 O ATOM 1172 CB ASN A 79 114.891 7.484 23.963 1.00 0.00 C ATOM 1173 CG ASN A 79 113.601 7.668 24.766 1.00 0.00 C ATOM 1174 OD1 ASN A 79 112.916 8.661 24.619 1.00 0.00 O ATOM 1175 ND2 ASN A 79 113.239 6.746 25.615 1.00 0.00 N ATOM 0 H ASN A 79 113.552 6.990 21.914 1.00 0.00 H new ATOM 0 HA ASN A 79 114.527 9.411 23.081 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.978 6.451 23.625 1.00 0.00 H new ATOM 0 HB3 ASN A 79 115.757 7.687 24.594 1.00 0.00 H new ATOM 0 HD21 ASN A 79 112.381 6.859 26.155 1.00 0.00 H new ATOM 0 HD22 ASN A 79 113.814 5.912 25.739 1.00 0.00 H new ATOM 1182 N LYS A 80 116.689 7.641 21.354 1.00 0.00 N ATOM 1183 CA LYS A 80 118.047 7.710 20.739 1.00 0.00 C ATOM 1184 C LYS A 80 118.086 8.835 19.702 1.00 0.00 C ATOM 1185 O LYS A 80 118.983 9.658 19.692 1.00 0.00 O ATOM 1186 CB LYS A 80 118.373 6.375 20.072 1.00 0.00 C ATOM 1187 CG LYS A 80 119.696 6.486 19.310 1.00 0.00 C ATOM 1188 CD LYS A 80 120.264 5.085 19.061 1.00 0.00 C ATOM 1189 CE LYS A 80 121.101 4.647 20.266 1.00 0.00 C ATOM 1190 NZ LYS A 80 121.821 3.384 19.940 1.00 0.00 N ATOM 0 H LYS A 80 116.124 6.842 21.066 1.00 0.00 H new ATOM 0 HA LYS A 80 118.787 7.914 21.513 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.441 5.589 20.824 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.572 6.094 19.389 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.539 7.000 18.362 1.00 0.00 H new ATOM 0 HG3 LYS A 80 120.408 7.082 19.881 1.00 0.00 H new ATOM 0 HD2 LYS A 80 119.452 4.377 18.893 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.878 5.086 18.160 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.815 5.427 20.529 1.00 0.00 H new ATOM 0 HE3 LYS A 80 120.458 4.498 21.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 122.389 3.087 20.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 121.131 2.641 19.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 122.446 3.541 19.124 1.00 0.00 H new ATOM 1204 N LEU A 81 117.117 8.874 18.831 1.00 0.00 N ATOM 1205 CA LEU A 81 117.085 9.939 17.790 1.00 0.00 C ATOM 1206 C LEU A 81 115.627 10.260 17.450 1.00 0.00 C ATOM 1207 O LEU A 81 114.879 9.400 17.028 1.00 0.00 O ATOM 1208 CB LEU A 81 117.805 9.439 16.534 1.00 0.00 C ATOM 1209 CG LEU A 81 117.917 10.573 15.509 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.755 11.717 16.094 1.00 0.00 C ATOM 1211 CD2 LEU A 81 118.591 10.040 14.241 1.00 0.00 C ATOM 0 H LEU A 81 116.342 8.211 18.795 1.00 0.00 H new ATOM 0 HA LEU A 81 117.582 10.836 18.160 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.798 9.074 16.795 1.00 0.00 H new ATOM 0 HB3 LEU A 81 117.260 8.600 16.102 1.00 0.00 H new ATOM 0 HG LEU A 81 116.922 10.946 15.267 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.833 12.522 15.363 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.276 12.093 16.998 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.752 11.350 16.337 1.00 0.00 H new ATOM 0 HD21 LEU A 81 118.673 10.842 13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 81 119.586 9.669 14.486 1.00 0.00 H new ATOM 0 HD23 LEU A 81 117.994 9.229 13.825 1.00 0.00 H new ATOM 1223 N LYS A 82 115.214 11.484 17.631 1.00 0.00 N ATOM 1224 CA LYS A 82 113.801 11.838 17.315 1.00 0.00 C ATOM 1225 C LYS A 82 113.665 12.108 15.813 1.00 0.00 C ATOM 1226 O LYS A 82 114.202 13.066 15.291 1.00 0.00 O ATOM 1227 CB LYS A 82 113.399 13.090 18.105 1.00 0.00 C ATOM 1228 CG LYS A 82 111.899 13.049 18.412 1.00 0.00 C ATOM 1229 CD LYS A 82 111.106 13.088 17.105 1.00 0.00 C ATOM 1230 CE LYS A 82 109.618 13.256 17.415 1.00 0.00 C ATOM 1231 NZ LYS A 82 109.316 14.701 17.616 1.00 0.00 N ATOM 0 H LYS A 82 115.789 12.250 17.982 1.00 0.00 H new ATOM 0 HA LYS A 82 113.147 11.011 17.592 1.00 0.00 H new ATOM 0 HB2 LYS A 82 113.968 13.144 19.033 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.638 13.986 17.532 1.00 0.00 H new ATOM 0 HG2 LYS A 82 111.656 12.144 18.969 1.00 0.00 H new ATOM 0 HG3 LYS A 82 111.623 13.895 19.042 1.00 0.00 H new ATOM 0 HD2 LYS A 82 111.453 13.911 16.481 1.00 0.00 H new ATOM 0 HD3 LYS A 82 111.269 12.170 16.541 1.00 0.00 H new ATOM 0 HE2 LYS A 82 109.017 12.858 16.597 1.00 0.00 H new ATOM 0 HE3 LYS A 82 109.355 12.690 18.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 108.304 14.818 17.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 109.880 15.066 18.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 109.553 15.229 16.752 1.00 0.00 H new ATOM 1245 N LEU A 83 112.948 11.270 15.117 1.00 0.00 N ATOM 1246 CA LEU A 83 112.771 11.469 13.650 1.00 0.00 C ATOM 1247 C LEU A 83 111.530 12.324 13.386 1.00 0.00 C ATOM 1248 O LEU A 83 110.648 12.426 14.216 1.00 0.00 O ATOM 1249 CB LEU A 83 112.606 10.114 12.964 1.00 0.00 C ATOM 1250 CG LEU A 83 113.870 9.276 13.171 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.668 7.892 12.552 1.00 0.00 C ATOM 1252 CD2 LEU A 83 115.062 9.967 12.500 1.00 0.00 C ATOM 0 H LEU A 83 112.475 10.453 15.502 1.00 0.00 H new ATOM 0 HA LEU A 83 113.650 11.976 13.252 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.741 9.592 13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 83 112.421 10.254 11.899 1.00 0.00 H new ATOM 0 HG LEU A 83 114.067 9.174 14.238 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.567 7.293 12.698 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.822 7.399 13.031 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.471 7.996 11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.961 9.368 12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 83 114.868 10.071 11.432 1.00 0.00 H new ATOM 0 HD23 LEU A 83 115.206 10.953 12.941 1.00 0.00 H new ATOM 1264 N THR A 84 111.455 12.934 12.232 1.00 0.00 N ATOM 1265 CA THR A 84 110.264 13.779 11.905 1.00 0.00 C ATOM 1266 C THR A 84 109.681 13.330 10.566 1.00 0.00 C ATOM 1267 O THR A 84 110.342 12.677 9.784 1.00 0.00 O ATOM 1268 CB THR A 84 110.691 15.245 11.802 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.554 15.406 10.684 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.424 15.656 13.077 1.00 0.00 C ATOM 0 H THR A 84 112.165 12.885 11.501 1.00 0.00 H new ATOM 0 HA THR A 84 109.514 13.672 12.689 1.00 0.00 H new ATOM 0 HB THR A 84 109.809 15.873 11.676 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.828 16.344 10.615 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.727 16.700 13.002 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.762 15.531 13.934 1.00 0.00 H new ATOM 0 HG23 THR A 84 112.307 15.030 13.207 1.00 0.00 H new ATOM 1278 N ASN A 85 108.444 13.669 10.292 1.00 0.00 N ATOM 1279 CA ASN A 85 107.823 13.260 8.999 1.00 0.00 C ATOM 1280 C ASN A 85 107.913 11.742 8.838 1.00 0.00 C ATOM 1281 O ASN A 85 108.387 11.240 7.838 1.00 0.00 O ATOM 1282 CB ASN A 85 108.552 13.943 7.843 1.00 0.00 C ATOM 1283 CG ASN A 85 108.255 15.444 7.864 1.00 0.00 C ATOM 1284 OD1 ASN A 85 107.335 15.884 8.524 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.995 16.255 7.157 1.00 0.00 N ATOM 0 H ASN A 85 107.840 14.211 10.910 1.00 0.00 H new ATOM 0 HA ASN A 85 106.775 13.559 8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.626 13.773 7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.233 13.512 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.800 17.256 7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.768 15.887 6.602 1.00 0.00 H new ATOM 1292 N ILE A 86 107.470 11.006 9.821 1.00 0.00 N ATOM 1293 CA ILE A 86 107.540 9.521 9.734 1.00 0.00 C ATOM 1294 C ILE A 86 106.398 8.995 8.859 1.00 0.00 C ATOM 1295 O ILE A 86 105.244 9.306 9.075 1.00 0.00 O ATOM 1296 CB ILE A 86 107.428 8.936 11.144 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.646 9.369 11.967 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.380 7.410 11.067 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.413 9.039 13.443 1.00 0.00 C ATOM 0 H ILE A 86 107.062 11.371 10.682 1.00 0.00 H new ATOM 0 HA ILE A 86 108.488 9.223 9.287 1.00 0.00 H new ATOM 0 HB ILE A 86 106.516 9.300 11.618 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.540 8.860 11.607 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.818 10.439 11.846 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.300 6.997 12.073 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.515 7.102 10.479 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.290 7.041 10.594 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.281 9.348 14.026 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.529 9.568 13.799 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.263 7.965 13.557 1.00 0.00 H new ATOM 1311 N ILE A 87 106.717 8.190 7.877 1.00 0.00 N ATOM 1312 CA ILE A 87 105.660 7.625 6.982 1.00 0.00 C ATOM 1313 C ILE A 87 105.724 6.098 7.031 1.00 0.00 C ATOM 1314 O ILE A 87 106.743 5.511 6.722 1.00 0.00 O ATOM 1315 CB ILE A 87 105.915 8.081 5.542 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.911 9.613 5.472 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.833 7.519 4.621 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.584 10.160 6.008 1.00 0.00 C ATOM 0 H ILE A 87 107.669 7.898 7.655 1.00 0.00 H new ATOM 0 HA ILE A 87 104.681 7.971 7.313 1.00 0.00 H new ATOM 0 HB ILE A 87 106.888 7.711 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.741 10.014 6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.058 9.938 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.020 7.847 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.850 6.430 4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.856 7.879 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.591 11.249 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.761 9.772 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.454 9.849 7.045 1.00 0.00 H new ATOM 1330 N MET A 88 104.651 5.444 7.415 1.00 0.00 N ATOM 1331 CA MET A 88 104.666 3.948 7.481 1.00 0.00 C ATOM 1332 C MET A 88 103.564 3.383 6.577 1.00 0.00 C ATOM 1333 O MET A 88 102.400 3.388 6.926 1.00 0.00 O ATOM 1334 CB MET A 88 104.420 3.499 8.925 1.00 0.00 C ATOM 1335 CG MET A 88 105.477 4.123 9.842 1.00 0.00 C ATOM 1336 SD MET A 88 105.160 3.633 11.556 1.00 0.00 S ATOM 1337 CE MET A 88 105.675 1.905 11.406 1.00 0.00 C ATOM 0 H MET A 88 103.769 5.881 7.684 1.00 0.00 H new ATOM 0 HA MET A 88 105.635 3.580 7.144 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.422 3.799 9.245 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.462 2.412 8.991 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.473 3.799 9.539 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.454 5.209 9.754 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.212 1.606 12.306 1.00 0.00 H new ATOM 0 HE2 MET A 88 104.796 1.273 11.281 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.328 1.794 10.540 1.00 0.00 H new ATOM 1347 N ASP A 89 103.927 2.884 5.424 1.00 0.00 N ATOM 1348 CA ASP A 89 102.907 2.299 4.497 1.00 0.00 C ATOM 1349 C ASP A 89 103.130 0.788 4.399 1.00 0.00 C ATOM 1350 O ASP A 89 104.002 0.325 3.691 1.00 0.00 O ATOM 1351 CB ASP A 89 103.062 2.929 3.114 1.00 0.00 C ATOM 1352 CG ASP A 89 102.558 4.373 3.146 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.869 4.719 4.092 1.00 0.00 O ATOM 1354 OD2 ASP A 89 102.874 5.111 2.227 1.00 0.00 O ATOM 0 H ASP A 89 104.887 2.855 5.082 1.00 0.00 H new ATOM 0 HA ASP A 89 101.904 2.498 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.108 2.905 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.501 2.354 2.377 1.00 0.00 H new ATOM 1359 N HIS A 90 102.349 0.011 5.099 1.00 0.00 N ATOM 1360 CA HIS A 90 102.517 -1.470 5.050 1.00 0.00 C ATOM 1361 C HIS A 90 102.060 -2.020 3.694 1.00 0.00 C ATOM 1362 O HIS A 90 102.645 -2.942 3.163 1.00 0.00 O ATOM 1363 CB HIS A 90 101.693 -2.111 6.166 1.00 0.00 C ATOM 1364 CG HIS A 90 102.320 -1.790 7.494 1.00 0.00 C ATOM 1365 ND1 HIS A 90 102.053 -0.607 8.171 1.00 0.00 N ATOM 1366 CD2 HIS A 90 103.204 -2.483 8.284 1.00 0.00 C ATOM 1367 CE1 HIS A 90 102.764 -0.625 9.313 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.481 -1.744 9.429 1.00 0.00 N ATOM 0 H HIS A 90 101.598 0.340 5.706 1.00 0.00 H new ATOM 0 HA HIS A 90 103.572 -1.709 5.185 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.668 -1.741 6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.646 -3.191 6.025 1.00 0.00 H new ATOM 0 HD2 HIS A 90 103.620 -3.452 8.052 1.00 0.00 H new ATOM 0 HE1 HIS A 90 102.755 0.169 10.046 1.00 0.00 H new ATOM 0 HE2 HIS A 90 104.102 -2.003 10.196 1.00 0.00 H new ATOM 1377 N TYR A 91 101.017 -1.474 3.132 1.00 0.00 N ATOM 1378 CA TYR A 91 100.532 -1.986 1.816 1.00 0.00 C ATOM 1379 C TYR A 91 101.629 -1.824 0.764 1.00 0.00 C ATOM 1380 O TYR A 91 101.911 -2.730 0.005 1.00 0.00 O ATOM 1381 CB TYR A 91 99.288 -1.211 1.381 1.00 0.00 C ATOM 1382 CG TYR A 91 98.876 -1.666 0.001 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.216 -2.890 -0.168 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.157 -0.864 -1.113 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.838 -3.311 -1.450 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.780 -1.285 -2.393 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.121 -2.508 -2.561 1.00 0.00 C ATOM 1388 OH TYR A 91 97.749 -2.923 -3.824 1.00 0.00 O ATOM 0 H TYR A 91 100.481 -0.699 3.523 1.00 0.00 H new ATOM 0 HA TYR A 91 100.279 -3.041 1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.476 -1.377 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.495 -0.141 1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.998 -3.509 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.665 0.080 -0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.329 -4.254 -1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.998 -0.666 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 91 98.019 -2.249 -4.482 1.00 0.00 H new ATOM 1398 N ASN A 92 102.257 -0.681 0.712 1.00 0.00 N ATOM 1399 CA ASN A 92 103.337 -0.475 -0.291 1.00 0.00 C ATOM 1400 C ASN A 92 104.670 -0.928 0.308 1.00 0.00 C ATOM 1401 O ASN A 92 105.686 -0.959 -0.358 1.00 0.00 O ATOM 1402 CB ASN A 92 103.414 1.008 -0.661 1.00 0.00 C ATOM 1403 CG ASN A 92 102.225 1.379 -1.547 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.606 0.520 -2.144 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.873 2.632 -1.657 1.00 0.00 N ATOM 0 H ASN A 92 102.069 0.116 1.319 1.00 0.00 H new ATOM 0 HA ASN A 92 103.124 -1.057 -1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.412 1.619 0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.348 1.215 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.079 2.889 -2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.392 3.353 -1.156 1.00 0.00 H new ATOM 1412 N ASN A 93 104.664 -1.304 1.557 1.00 0.00 N ATOM 1413 CA ASN A 93 105.919 -1.781 2.202 1.00 0.00 C ATOM 1414 C ASN A 93 107.029 -0.743 2.021 1.00 0.00 C ATOM 1415 O ASN A 93 108.135 -1.073 1.639 1.00 0.00 O ATOM 1416 CB ASN A 93 106.348 -3.105 1.564 1.00 0.00 C ATOM 1417 CG ASN A 93 105.368 -4.208 1.972 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.659 -4.076 2.950 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.299 -5.299 1.260 1.00 0.00 N ATOM 0 H ASN A 93 103.841 -1.301 2.160 1.00 0.00 H new ATOM 0 HA ASN A 93 105.740 -1.928 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.371 -3.007 0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.358 -3.364 1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.650 -6.040 1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.894 -5.411 0.439 1.00 0.00 H new ATOM 1426 N THR A 94 106.752 0.512 2.288 1.00 0.00 N ATOM 1427 CA THR A 94 107.799 1.564 2.129 1.00 0.00 C ATOM 1428 C THR A 94 107.818 2.455 3.374 1.00 0.00 C ATOM 1429 O THR A 94 106.785 2.827 3.899 1.00 0.00 O ATOM 1430 CB THR A 94 107.489 2.416 0.896 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.381 3.517 0.851 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.052 2.922 0.974 1.00 0.00 C ATOM 0 H THR A 94 105.845 0.850 2.609 1.00 0.00 H new ATOM 0 HA THR A 94 108.773 1.090 2.004 1.00 0.00 H new ATOM 0 HB THR A 94 107.609 1.814 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.072 4.214 1.467 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.832 3.529 0.096 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.369 2.073 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 94 105.927 3.526 1.873 1.00 0.00 H new ATOM 1440 N PHE A 95 108.989 2.784 3.856 1.00 0.00 N ATOM 1441 CA PHE A 95 109.079 3.642 5.079 1.00 0.00 C ATOM 1442 C PHE A 95 109.979 4.850 4.808 1.00 0.00 C ATOM 1443 O PHE A 95 111.006 4.736 4.171 1.00 0.00 O ATOM 1444 CB PHE A 95 109.681 2.816 6.219 1.00 0.00 C ATOM 1445 CG PHE A 95 108.795 1.627 6.504 1.00 0.00 C ATOM 1446 CD1 PHE A 95 107.752 1.741 7.427 1.00 0.00 C ATOM 1447 CD2 PHE A 95 109.017 0.413 5.845 1.00 0.00 C ATOM 1448 CE1 PHE A 95 106.927 0.641 7.694 1.00 0.00 C ATOM 1449 CE2 PHE A 95 108.193 -0.688 6.110 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.148 -0.574 7.035 1.00 0.00 C ATOM 0 H PHE A 95 109.884 2.498 3.459 1.00 0.00 H new ATOM 0 HA PHE A 95 108.083 3.992 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.682 2.480 5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.781 3.431 7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 95 107.582 2.679 7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 95 109.824 0.325 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 95 106.121 0.730 8.408 1.00 0.00 H new ATOM 0 HE2 PHE A 95 108.364 -1.625 5.601 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.513 -1.423 7.240 1.00 0.00 H new ATOM 1460 N TYR A 96 109.602 6.012 5.292 1.00 0.00 N ATOM 1461 CA TYR A 96 110.436 7.230 5.067 1.00 0.00 C ATOM 1462 C TYR A 96 110.528 8.027 6.371 1.00 0.00 C ATOM 1463 O TYR A 96 109.594 8.068 7.149 1.00 0.00 O ATOM 1464 CB TYR A 96 109.782 8.128 4.008 1.00 0.00 C ATOM 1465 CG TYR A 96 109.557 7.364 2.728 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.547 7.339 1.743 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.346 6.695 2.520 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.332 6.640 0.550 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.129 5.998 1.328 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.121 5.970 0.342 1.00 0.00 C ATOM 1471 OH TYR A 96 108.904 5.280 -0.832 1.00 0.00 O ATOM 0 H TYR A 96 108.751 6.166 5.833 1.00 0.00 H new ATOM 0 HA TYR A 96 111.426 6.920 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.832 8.508 4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.417 8.993 3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.480 7.860 1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.579 6.717 3.280 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.100 6.618 -0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.195 5.481 1.168 1.00 0.00 H new ATOM 0 HH TYR A 96 108.785 4.327 -0.634 1.00 0.00 H new ATOM 1481 N SER A 97 111.638 8.670 6.613 1.00 0.00 N ATOM 1482 CA SER A 97 111.780 9.476 7.858 1.00 0.00 C ATOM 1483 C SER A 97 112.755 10.633 7.601 1.00 0.00 C ATOM 1484 O SER A 97 113.654 10.533 6.779 1.00 0.00 O ATOM 1485 CB SER A 97 112.321 8.596 8.988 1.00 0.00 C ATOM 1486 OG SER A 97 111.411 7.532 9.234 1.00 0.00 O ATOM 0 H SER A 97 112.454 8.672 6.001 1.00 0.00 H new ATOM 0 HA SER A 97 110.806 9.871 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 97 113.299 8.198 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 97 112.457 9.189 9.892 1.00 0.00 H new ATOM 0 HG SER A 97 111.733 6.994 9.987 1.00 0.00 H new ATOM 1492 N ARG A 98 112.593 11.726 8.304 1.00 0.00 N ATOM 1493 CA ARG A 98 113.511 12.888 8.112 1.00 0.00 C ATOM 1494 C ARG A 98 114.525 12.932 9.251 1.00 0.00 C ATOM 1495 O ARG A 98 114.175 12.828 10.414 1.00 0.00 O ATOM 1496 CB ARG A 98 112.702 14.191 8.095 1.00 0.00 C ATOM 1497 CG ARG A 98 112.126 14.434 6.690 1.00 0.00 C ATOM 1498 CD ARG A 98 113.045 15.387 5.917 1.00 0.00 C ATOM 1499 NE ARG A 98 112.662 16.792 6.224 1.00 0.00 N ATOM 1500 CZ ARG A 98 113.501 17.769 6.005 1.00 0.00 C ATOM 1501 NH1 ARG A 98 114.731 17.516 5.644 1.00 0.00 N ATOM 1502 NH2 ARG A 98 113.115 19.005 6.172 1.00 0.00 N ATOM 0 H ARG A 98 111.863 11.863 9.003 1.00 0.00 H new ATOM 0 HA ARG A 98 114.036 12.778 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 98 111.894 14.136 8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.338 15.027 8.386 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.033 13.489 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.125 14.858 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 98 114.085 15.212 6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 98 112.964 15.201 4.846 1.00 0.00 H new ATOM 0 HE ARG A 98 111.739 16.993 6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 98 115.041 16.551 5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 98 115.381 18.284 5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 98 112.161 19.205 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 98 113.767 19.770 6.002 1.00 0.00 H new ATOM 1516 N LEU A 99 115.777 13.082 8.914 1.00 0.00 N ATOM 1517 CA LEU A 99 116.838 13.130 9.957 1.00 0.00 C ATOM 1518 C LEU A 99 116.996 14.568 10.469 1.00 0.00 C ATOM 1519 O LEU A 99 117.024 15.496 9.685 1.00 0.00 O ATOM 1520 CB LEU A 99 118.177 12.689 9.357 1.00 0.00 C ATOM 1521 CG LEU A 99 118.133 11.204 8.998 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.439 10.815 8.305 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.966 10.366 10.275 1.00 0.00 C ATOM 0 H LEU A 99 116.111 13.174 7.955 1.00 0.00 H new ATOM 0 HA LEU A 99 116.554 12.466 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.397 13.279 8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 99 118.981 12.874 10.069 1.00 0.00 H new ATOM 0 HG LEU A 99 117.291 11.017 8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.413 9.756 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.560 11.407 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.277 11.004 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.935 9.308 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.807 10.551 10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.038 10.644 10.774 1.00 0.00 H new ATOM 1535 N PRO A 100 117.132 14.765 11.762 1.00 0.00 N ATOM 1536 CA PRO A 100 117.332 16.124 12.335 1.00 0.00 C ATOM 1537 C PRO A 100 118.383 16.909 11.545 1.00 0.00 C ATOM 1538 O PRO A 100 118.910 16.435 10.560 1.00 0.00 O ATOM 1539 CB PRO A 100 117.823 15.854 13.757 1.00 0.00 C ATOM 1540 CG PRO A 100 117.265 14.520 14.120 1.00 0.00 C ATOM 1541 CD PRO A 100 117.101 13.735 12.819 1.00 0.00 C ATOM 0 HA PRO A 100 116.423 16.725 12.304 1.00 0.00 H new ATOM 0 HB2 PRO A 100 118.912 15.850 13.803 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.478 16.625 14.445 1.00 0.00 H new ATOM 0 HG2 PRO A 100 117.932 13.996 14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.307 14.628 14.629 1.00 0.00 H new ATOM 0 HD2 PRO A 100 117.903 13.009 12.689 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.163 13.180 12.805 1.00 0.00 H new ATOM 1549 N SER A 101 118.690 18.103 11.959 1.00 0.00 N ATOM 1550 CA SER A 101 119.704 18.901 11.217 1.00 0.00 C ATOM 1551 C SER A 101 121.104 18.609 11.761 1.00 0.00 C ATOM 1552 O SER A 101 122.095 18.880 11.113 1.00 0.00 O ATOM 1553 CB SER A 101 119.397 20.388 11.379 1.00 0.00 C ATOM 1554 OG SER A 101 120.213 21.136 10.489 1.00 0.00 O ATOM 0 H SER A 101 118.285 18.561 12.776 1.00 0.00 H new ATOM 0 HA SER A 101 119.668 18.630 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 101 118.344 20.578 11.172 1.00 0.00 H new ATOM 0 HB3 SER A 101 119.581 20.699 12.407 1.00 0.00 H new ATOM 0 HG SER A 101 120.017 22.091 10.590 1.00 0.00 H new ATOM 1560 N LEU A 102 121.196 18.076 12.952 1.00 0.00 N ATOM 1561 CA LEU A 102 122.536 17.786 13.550 1.00 0.00 C ATOM 1562 C LEU A 102 122.638 16.312 13.948 1.00 0.00 C ATOM 1563 O LEU A 102 121.801 15.791 14.659 1.00 0.00 O ATOM 1564 CB LEU A 102 122.724 18.660 14.788 1.00 0.00 C ATOM 1565 CG LEU A 102 124.131 18.464 15.356 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.175 18.910 14.327 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.278 19.301 16.629 1.00 0.00 C ATOM 0 H LEU A 102 120.399 17.828 13.539 1.00 0.00 H new ATOM 0 HA LEU A 102 123.310 18.002 12.814 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.569 19.708 14.531 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.979 18.403 15.541 1.00 0.00 H new ATOM 0 HG LEU A 102 124.286 17.410 15.586 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.175 18.768 14.738 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.068 18.316 13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.026 19.964 14.091 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.279 19.166 17.040 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.122 20.353 16.393 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.539 18.980 17.363 1.00 0.00 H new ATOM 1579 N ILE A 103 123.675 15.643 13.518 1.00 0.00 N ATOM 1580 CA ILE A 103 123.861 14.208 13.887 1.00 0.00 C ATOM 1581 C ILE A 103 125.361 13.907 13.939 1.00 0.00 C ATOM 1582 O ILE A 103 126.002 13.753 12.918 1.00 0.00 O ATOM 1583 CB ILE A 103 123.197 13.290 12.852 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.672 13.425 12.940 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.607 11.831 13.120 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.019 12.620 11.817 1.00 0.00 C ATOM 0 H ILE A 103 124.406 16.032 12.923 1.00 0.00 H new ATOM 0 HA ILE A 103 123.399 14.026 14.857 1.00 0.00 H new ATOM 0 HB ILE A 103 123.523 13.579 11.853 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.321 13.068 13.908 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.385 14.474 12.863 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.135 11.179 12.385 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.690 11.738 13.045 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.286 11.541 14.121 1.00 0.00 H new ATOM 0 HD11 ILE A 103 119.935 12.718 11.882 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.360 12.997 10.853 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.295 11.570 11.914 1.00 0.00 H new ATOM 1598 N SER A 104 125.927 13.829 15.115 1.00 0.00 N ATOM 1599 CA SER A 104 127.392 13.544 15.231 1.00 0.00 C ATOM 1600 C SER A 104 127.606 12.171 15.870 1.00 0.00 C ATOM 1601 O SER A 104 128.724 11.743 16.080 1.00 0.00 O ATOM 1602 CB SER A 104 128.048 14.618 16.099 1.00 0.00 C ATOM 1603 OG SER A 104 127.540 14.528 17.423 1.00 0.00 O ATOM 0 H SER A 104 125.439 13.950 16.002 1.00 0.00 H new ATOM 0 HA SER A 104 127.840 13.549 14.237 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.130 14.487 16.103 1.00 0.00 H new ATOM 0 HB3 SER A 104 127.848 15.607 15.687 1.00 0.00 H new ATOM 0 HG SER A 104 127.960 15.214 17.982 1.00 0.00 H new ATOM 1609 N ASP A 105 126.547 11.478 16.184 1.00 0.00 N ATOM 1610 CA ASP A 105 126.695 10.135 16.811 1.00 0.00 C ATOM 1611 C ASP A 105 126.920 9.071 15.731 1.00 0.00 C ATOM 1612 O ASP A 105 126.498 9.214 14.601 1.00 0.00 O ATOM 1613 CB ASP A 105 125.427 9.802 17.603 1.00 0.00 C ATOM 1614 CG ASP A 105 125.567 8.417 18.238 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.670 7.897 18.244 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.567 7.900 18.707 1.00 0.00 O ATOM 0 H ASP A 105 125.586 11.784 16.034 1.00 0.00 H new ATOM 0 HA ASP A 105 127.555 10.146 17.481 1.00 0.00 H new ATOM 0 HB2 ASP A 105 125.261 10.552 18.376 1.00 0.00 H new ATOM 0 HB3 ASP A 105 124.558 9.825 16.945 1.00 0.00 H new ATOM 1621 N ASN A 106 127.579 7.999 16.082 1.00 0.00 N ATOM 1622 CA ASN A 106 127.837 6.906 15.100 1.00 0.00 C ATOM 1623 C ASN A 106 126.765 5.827 15.265 1.00 0.00 C ATOM 1624 O ASN A 106 127.024 4.650 15.111 1.00 0.00 O ATOM 1625 CB ASN A 106 129.211 6.287 15.361 1.00 0.00 C ATOM 1626 CG ASN A 106 130.308 7.295 15.017 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.124 8.150 14.173 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.451 7.230 15.642 1.00 0.00 N ATOM 0 H ASN A 106 127.953 7.833 17.016 1.00 0.00 H new ATOM 0 HA ASN A 106 127.810 7.313 14.089 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.293 5.989 16.406 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.333 5.385 14.762 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.191 7.897 15.423 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.605 6.512 16.350 1.00 0.00 H new ATOM 1635 N TRP A 107 125.569 6.216 15.611 1.00 0.00 N ATOM 1636 CA TRP A 107 124.489 5.210 15.822 1.00 0.00 C ATOM 1637 C TRP A 107 124.172 4.478 14.517 1.00 0.00 C ATOM 1638 O TRP A 107 124.386 4.979 13.431 1.00 0.00 O ATOM 1639 CB TRP A 107 123.223 5.914 16.326 1.00 0.00 C ATOM 1640 CG TRP A 107 122.700 6.849 15.277 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.310 7.985 14.868 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.462 6.760 14.514 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.537 8.589 13.898 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.385 7.876 13.647 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.410 5.829 14.487 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.305 8.060 12.786 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.321 6.015 13.623 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.268 7.127 12.776 1.00 0.00 C ATOM 0 H TRP A 107 125.292 7.187 15.757 1.00 0.00 H new ATOM 0 HA TRP A 107 124.831 4.484 16.560 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.462 5.175 16.577 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.444 6.467 17.239 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.252 8.359 15.241 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.788 9.457 13.425 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.440 4.966 15.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.271 8.918 12.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.517 5.294 13.612 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.425 7.263 12.115 1.00 0.00 H new ATOM 1659 N LYS A 108 123.668 3.279 14.632 1.00 0.00 N ATOM 1660 CA LYS A 108 123.331 2.471 13.427 1.00 0.00 C ATOM 1661 C LYS A 108 122.016 1.734 13.671 1.00 0.00 C ATOM 1662 O LYS A 108 121.696 1.379 14.788 1.00 0.00 O ATOM 1663 CB LYS A 108 124.446 1.450 13.172 1.00 0.00 C ATOM 1664 CG LYS A 108 124.058 0.533 12.006 1.00 0.00 C ATOM 1665 CD LYS A 108 125.178 -0.481 11.758 1.00 0.00 C ATOM 1666 CE LYS A 108 124.793 -1.389 10.589 1.00 0.00 C ATOM 1667 NZ LYS A 108 125.873 -2.391 10.360 1.00 0.00 N ATOM 0 H LYS A 108 123.473 2.820 15.522 1.00 0.00 H new ATOM 0 HA LYS A 108 123.231 3.125 12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 108 125.379 1.966 12.945 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.620 0.857 14.070 1.00 0.00 H new ATOM 0 HG2 LYS A 108 123.127 0.014 12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.883 1.124 11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.111 0.038 11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.349 -1.077 12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 108 123.852 -1.896 10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 108 124.637 -0.794 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 125.611 -3.008 9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 126.762 -1.899 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.001 -2.966 11.217 1.00 0.00 H new ATOM 1681 N PHE A 109 121.257 1.477 12.637 1.00 0.00 N ATOM 1682 CA PHE A 109 119.974 0.742 12.833 1.00 0.00 C ATOM 1683 C PHE A 109 119.616 0.028 11.527 1.00 0.00 C ATOM 1684 O PHE A 109 120.144 0.349 10.477 1.00 0.00 O ATOM 1685 CB PHE A 109 118.864 1.720 13.226 1.00 0.00 C ATOM 1686 CG PHE A 109 118.452 2.546 12.032 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.168 3.699 11.694 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.343 2.161 11.269 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.776 4.468 10.593 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.949 2.930 10.169 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.666 4.083 9.830 1.00 0.00 C ATOM 0 H PHE A 109 121.468 1.742 11.675 1.00 0.00 H new ATOM 0 HA PHE A 109 120.083 0.010 13.633 1.00 0.00 H new ATOM 0 HB2 PHE A 109 118.005 1.171 13.612 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.211 2.373 14.027 1.00 0.00 H new ATOM 0 HD1 PHE A 109 120.023 3.996 12.283 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.791 1.270 11.530 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.329 5.358 10.331 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.092 2.634 9.582 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.363 4.676 8.980 1.00 0.00 H new ATOM 1701 N PHE A 110 118.747 -0.948 11.567 1.00 0.00 N ATOM 1702 CA PHE A 110 118.407 -1.669 10.308 1.00 0.00 C ATOM 1703 C PHE A 110 116.999 -2.280 10.360 1.00 0.00 C ATOM 1704 O PHE A 110 116.449 -2.534 11.413 1.00 0.00 O ATOM 1705 CB PHE A 110 119.436 -2.783 10.085 1.00 0.00 C ATOM 1706 CG PHE A 110 119.626 -3.562 11.365 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.497 -3.082 12.352 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.934 -4.762 11.568 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.677 -3.801 13.539 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.116 -5.483 12.756 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.987 -5.001 13.740 1.00 0.00 C ATOM 0 H PHE A 110 118.265 -1.273 12.405 1.00 0.00 H new ATOM 0 HA PHE A 110 118.426 -0.952 9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.100 -3.448 9.289 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.386 -2.355 9.763 1.00 0.00 H new ATOM 0 HD1 PHE A 110 121.030 -2.156 12.196 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.260 -5.132 10.809 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.348 -3.430 14.299 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.584 -6.410 12.912 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.126 -5.556 14.656 1.00 0.00 H new ATOM 1721 N CYS A 111 116.439 -2.541 9.206 1.00 0.00 N ATOM 1722 CA CYS A 111 115.086 -3.169 9.122 1.00 0.00 C ATOM 1723 C CYS A 111 115.217 -4.448 8.291 1.00 0.00 C ATOM 1724 O CYS A 111 116.148 -4.590 7.524 1.00 0.00 O ATOM 1725 CB CYS A 111 114.101 -2.218 8.436 1.00 0.00 C ATOM 1726 SG CYS A 111 113.824 -0.762 9.477 1.00 0.00 S ATOM 0 H CYS A 111 116.870 -2.342 8.303 1.00 0.00 H new ATOM 0 HA CYS A 111 114.713 -3.389 10.122 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.492 -1.913 7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.156 -2.730 8.252 1.00 0.00 H new ATOM 1731 N VAL A 112 114.325 -5.391 8.448 1.00 0.00 N ATOM 1732 CA VAL A 112 114.449 -6.668 7.673 1.00 0.00 C ATOM 1733 C VAL A 112 113.153 -7.009 6.930 1.00 0.00 C ATOM 1734 O VAL A 112 112.064 -6.917 7.461 1.00 0.00 O ATOM 1735 CB VAL A 112 114.793 -7.810 8.630 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.644 -9.147 7.900 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.239 -7.652 9.107 1.00 0.00 C ATOM 0 H VAL A 112 113.521 -5.336 9.073 1.00 0.00 H new ATOM 0 HA VAL A 112 115.239 -6.536 6.934 1.00 0.00 H new ATOM 0 HB VAL A 112 114.119 -7.785 9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.889 -9.962 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.617 -9.260 7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.320 -9.172 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.488 -8.465 9.790 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.910 -7.681 8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.350 -6.698 9.623 1.00 0.00 H new ATOM 1747 N CYS A 113 113.286 -7.451 5.703 1.00 0.00 N ATOM 1748 CA CYS A 113 112.107 -7.867 4.890 1.00 0.00 C ATOM 1749 C CYS A 113 112.308 -9.346 4.546 1.00 0.00 C ATOM 1750 O CYS A 113 113.371 -9.733 4.102 1.00 0.00 O ATOM 1751 CB CYS A 113 112.051 -7.047 3.599 1.00 0.00 C ATOM 1752 SG CYS A 113 111.413 -5.389 3.948 1.00 0.00 S ATOM 0 H CYS A 113 114.182 -7.542 5.224 1.00 0.00 H new ATOM 0 HA CYS A 113 111.178 -7.709 5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 113 113.046 -6.978 3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.413 -7.545 2.869 1.00 0.00 H new ATOM 1757 N SER A 114 111.330 -10.191 4.755 1.00 0.00 N ATOM 1758 CA SER A 114 111.553 -11.631 4.438 1.00 0.00 C ATOM 1759 C SER A 114 110.254 -12.439 4.542 1.00 0.00 C ATOM 1760 O SER A 114 109.201 -11.931 4.886 1.00 0.00 O ATOM 1761 CB SER A 114 112.564 -12.202 5.432 1.00 0.00 C ATOM 1762 OG SER A 114 112.013 -12.138 6.742 1.00 0.00 O ATOM 0 H SER A 114 110.409 -9.953 5.122 1.00 0.00 H new ATOM 0 HA SER A 114 111.922 -11.703 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.804 -13.234 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.496 -11.638 5.387 1.00 0.00 H new ATOM 0 HG SER A 114 112.655 -12.504 7.385 1.00 0.00 H new ATOM 1768 N LYS A 115 110.354 -13.711 4.254 1.00 0.00 N ATOM 1769 CA LYS A 115 109.184 -14.630 4.342 1.00 0.00 C ATOM 1770 C LYS A 115 109.707 -16.026 4.690 1.00 0.00 C ATOM 1771 O LYS A 115 110.883 -16.301 4.564 1.00 0.00 O ATOM 1772 CB LYS A 115 108.435 -14.701 3.010 1.00 0.00 C ATOM 1773 CG LYS A 115 107.682 -13.397 2.760 1.00 0.00 C ATOM 1774 CD LYS A 115 106.574 -13.645 1.728 1.00 0.00 C ATOM 1775 CE LYS A 115 107.189 -14.041 0.385 1.00 0.00 C ATOM 1776 NZ LYS A 115 106.118 -14.139 -0.647 1.00 0.00 N ATOM 0 H LYS A 115 111.220 -14.160 3.954 1.00 0.00 H new ATOM 0 HA LYS A 115 108.495 -14.260 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 115 109.138 -14.885 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.736 -15.537 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.252 -13.027 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.368 -12.631 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.909 -14.434 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.969 -12.746 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 115 107.933 -13.304 0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.706 -14.996 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 106.442 -14.745 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 105.263 -14.550 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.901 -13.190 -1.013 1.00 0.00 H new ATOM 1790 N ASP A 116 108.856 -16.913 5.118 1.00 0.00 N ATOM 1791 CA ASP A 116 109.330 -18.284 5.458 1.00 0.00 C ATOM 1792 C ASP A 116 109.994 -18.908 4.224 1.00 0.00 C ATOM 1793 O ASP A 116 109.654 -18.594 3.102 1.00 0.00 O ATOM 1794 CB ASP A 116 108.143 -19.145 5.894 1.00 0.00 C ATOM 1795 CG ASP A 116 107.742 -18.772 7.323 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.546 -18.153 8.001 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.637 -19.110 7.715 1.00 0.00 O ATOM 0 H ASP A 116 107.857 -16.751 5.247 1.00 0.00 H new ATOM 0 HA ASP A 116 110.051 -18.230 6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.302 -18.994 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.407 -20.201 5.843 1.00 0.00 H new ATOM 1802 N ASN A 117 110.935 -19.793 4.423 1.00 0.00 N ATOM 1803 CA ASN A 117 111.612 -20.436 3.256 1.00 0.00 C ATOM 1804 C ASN A 117 111.935 -19.378 2.197 1.00 0.00 C ATOM 1805 O ASN A 117 111.459 -19.447 1.082 1.00 0.00 O ATOM 1806 CB ASN A 117 110.689 -21.495 2.649 1.00 0.00 C ATOM 1807 CG ASN A 117 111.469 -22.334 1.635 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.487 -21.904 1.128 1.00 0.00 O ATOM 1809 ND2 ASN A 117 111.033 -23.521 1.314 1.00 0.00 N ATOM 0 H ASN A 117 111.264 -20.098 5.339 1.00 0.00 H new ATOM 0 HA ASN A 117 112.537 -20.905 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.288 -22.136 3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.839 -21.016 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.546 -24.087 0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 117 110.179 -23.883 1.739 1.00 0.00 H new ATOM 1816 N GLU A 118 112.752 -18.408 2.526 1.00 0.00 N ATOM 1817 CA GLU A 118 113.102 -17.355 1.524 1.00 0.00 C ATOM 1818 C GLU A 118 114.336 -16.573 1.989 1.00 0.00 C ATOM 1819 O GLU A 118 114.517 -16.321 3.164 1.00 0.00 O ATOM 1820 CB GLU A 118 111.928 -16.376 1.374 1.00 0.00 C ATOM 1821 CG GLU A 118 110.826 -16.985 0.496 1.00 0.00 C ATOM 1822 CD GLU A 118 109.984 -15.867 -0.114 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.248 -14.715 0.191 1.00 0.00 O ATOM 1824 OE2 GLU A 118 109.090 -16.181 -0.881 1.00 0.00 O ATOM 0 H GLU A 118 113.190 -18.300 3.441 1.00 0.00 H new ATOM 0 HA GLU A 118 113.313 -17.838 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.524 -16.131 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.279 -15.444 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.269 -17.593 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.196 -17.646 1.091 1.00 0.00 H new ATOM 1831 N LYS A 119 115.181 -16.178 1.070 1.00 0.00 N ATOM 1832 CA LYS A 119 116.397 -15.403 1.457 1.00 0.00 C ATOM 1833 C LYS A 119 115.974 -14.169 2.260 1.00 0.00 C ATOM 1834 O LYS A 119 115.039 -13.479 1.906 1.00 0.00 O ATOM 1835 CB LYS A 119 117.138 -14.954 0.192 1.00 0.00 C ATOM 1836 CG LYS A 119 117.835 -16.155 -0.455 1.00 0.00 C ATOM 1837 CD LYS A 119 119.221 -16.345 0.167 1.00 0.00 C ATOM 1838 CE LYS A 119 120.239 -15.462 -0.560 1.00 0.00 C ATOM 1839 NZ LYS A 119 121.588 -15.655 0.045 1.00 0.00 N ATOM 0 H LYS A 119 115.081 -16.359 0.071 1.00 0.00 H new ATOM 0 HA LYS A 119 117.053 -16.029 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.436 -14.506 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.871 -14.187 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 119 117.236 -17.055 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 119 117.927 -15.999 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.193 -16.088 1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 119 119.520 -17.391 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 119 120.265 -15.715 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.944 -14.415 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 121.763 -14.909 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 121.631 -16.585 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 122.313 -15.606 -0.699 1.00 0.00 H new ATOM 1853 N LYS A 120 116.649 -13.889 3.343 1.00 0.00 N ATOM 1854 CA LYS A 120 116.276 -12.704 4.171 1.00 0.00 C ATOM 1855 C LYS A 120 116.948 -11.438 3.623 1.00 0.00 C ATOM 1856 O LYS A 120 118.094 -11.453 3.204 1.00 0.00 O ATOM 1857 CB LYS A 120 116.710 -12.941 5.621 1.00 0.00 C ATOM 1858 CG LYS A 120 118.221 -12.725 5.755 1.00 0.00 C ATOM 1859 CD LYS A 120 118.776 -13.622 6.868 1.00 0.00 C ATOM 1860 CE LYS A 120 119.156 -14.989 6.285 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.881 -15.782 7.318 1.00 0.00 N ATOM 0 H LYS A 120 117.442 -14.429 3.690 1.00 0.00 H new ATOM 0 HA LYS A 120 115.195 -12.567 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.176 -12.261 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.450 -13.955 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.716 -12.953 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.430 -11.679 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.649 -13.155 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 120 118.032 -13.745 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 120 118.261 -15.521 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 120 119.784 -14.859 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 119.716 -16.796 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.900 -15.583 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 119.534 -15.521 8.263 1.00 0.00 H new ATOM 1875 N LEU A 121 116.237 -10.339 3.634 1.00 0.00 N ATOM 1876 CA LEU A 121 116.815 -9.058 3.130 1.00 0.00 C ATOM 1877 C LEU A 121 117.040 -8.107 4.312 1.00 0.00 C ATOM 1878 O LEU A 121 116.123 -7.810 5.051 1.00 0.00 O ATOM 1879 CB LEU A 121 115.839 -8.415 2.141 1.00 0.00 C ATOM 1880 CG LEU A 121 115.579 -9.374 0.977 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.574 -8.744 0.011 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.892 -9.647 0.237 1.00 0.00 C ATOM 0 H LEU A 121 115.277 -10.275 3.972 1.00 0.00 H new ATOM 0 HA LEU A 121 117.764 -9.255 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.902 -8.175 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.250 -7.477 1.767 1.00 0.00 H new ATOM 0 HG LEU A 121 115.176 -10.311 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.389 -9.427 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.639 -8.548 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.977 -7.807 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.707 -10.330 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.294 -8.710 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.610 -10.096 0.923 1.00 0.00 H new ATOM 1894 N VAL A 122 118.246 -7.632 4.507 1.00 0.00 N ATOM 1895 CA VAL A 122 118.511 -6.712 5.656 1.00 0.00 C ATOM 1896 C VAL A 122 118.754 -5.284 5.152 1.00 0.00 C ATOM 1897 O VAL A 122 119.553 -5.046 4.270 1.00 0.00 O ATOM 1898 CB VAL A 122 119.754 -7.192 6.415 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.203 -6.106 7.397 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.426 -8.482 7.187 1.00 0.00 C ATOM 0 H VAL A 122 119.055 -7.841 3.922 1.00 0.00 H new ATOM 0 HA VAL A 122 117.643 -6.715 6.316 1.00 0.00 H new ATOM 0 HB VAL A 122 120.555 -7.394 5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 122 121.087 -6.446 7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.442 -5.195 6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.401 -5.902 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.312 -8.819 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.623 -8.287 7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 122 119.111 -9.255 6.486 1.00 0.00 H new ATOM 1910 N PHE A 123 118.073 -4.334 5.728 1.00 0.00 N ATOM 1911 CA PHE A 123 118.256 -2.910 5.321 1.00 0.00 C ATOM 1912 C PHE A 123 119.006 -2.198 6.447 1.00 0.00 C ATOM 1913 O PHE A 123 118.529 -2.145 7.555 1.00 0.00 O ATOM 1914 CB PHE A 123 116.875 -2.273 5.133 1.00 0.00 C ATOM 1915 CG PHE A 123 117.015 -0.789 4.910 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.579 -0.319 3.726 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.564 0.116 5.879 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.698 1.053 3.503 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.685 1.493 5.659 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.252 1.963 4.470 1.00 0.00 C ATOM 0 H PHE A 123 117.390 -4.483 6.471 1.00 0.00 H new ATOM 0 HA PHE A 123 118.816 -2.833 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.368 -2.730 4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.257 -2.460 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 123 117.925 -1.018 2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.123 -0.248 6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.135 1.414 2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.341 2.192 6.407 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.346 3.025 4.298 1.00 0.00 H new ATOM 1930 N THR A 124 120.182 -1.670 6.186 1.00 0.00 N ATOM 1931 CA THR A 124 120.946 -0.997 7.287 1.00 0.00 C ATOM 1932 C THR A 124 121.577 0.325 6.828 1.00 0.00 C ATOM 1933 O THR A 124 122.088 0.461 5.726 1.00 0.00 O ATOM 1934 CB THR A 124 122.046 -1.942 7.780 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.528 -1.483 9.034 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.192 -1.970 6.772 1.00 0.00 C ATOM 0 H THR A 124 120.639 -1.675 5.274 1.00 0.00 H new ATOM 0 HA THR A 124 120.246 -0.766 8.090 1.00 0.00 H new ATOM 0 HB THR A 124 121.640 -2.948 7.888 1.00 0.00 H new ATOM 0 HG1 THR A 124 121.895 -0.838 9.412 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.972 -2.643 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.821 -2.320 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.602 -0.966 6.660 1.00 0.00 H new ATOM 1944 N VAL A 125 121.578 1.294 7.705 1.00 0.00 N ATOM 1945 CA VAL A 125 122.199 2.610 7.390 1.00 0.00 C ATOM 1946 C VAL A 125 122.999 3.062 8.616 1.00 0.00 C ATOM 1947 O VAL A 125 122.774 2.587 9.721 1.00 0.00 O ATOM 1948 CB VAL A 125 121.112 3.639 7.063 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.084 3.015 6.115 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.417 4.073 8.353 1.00 0.00 C ATOM 0 H VAL A 125 121.169 1.227 8.637 1.00 0.00 H new ATOM 0 HA VAL A 125 122.855 2.520 6.524 1.00 0.00 H new ATOM 0 HB VAL A 125 121.567 4.507 6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.311 3.748 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.579 2.706 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.629 2.147 6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.644 4.805 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.963 3.205 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.148 4.519 9.028 1.00 0.00 H new ATOM 1960 N GLU A 126 123.929 3.968 8.442 1.00 0.00 N ATOM 1961 CA GLU A 126 124.744 4.434 9.608 1.00 0.00 C ATOM 1962 C GLU A 126 124.787 5.964 9.652 1.00 0.00 C ATOM 1963 O GLU A 126 124.754 6.632 8.637 1.00 0.00 O ATOM 1964 CB GLU A 126 126.174 3.899 9.469 1.00 0.00 C ATOM 1965 CG GLU A 126 126.168 2.379 9.618 1.00 0.00 C ATOM 1966 CD GLU A 126 127.575 1.831 9.369 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.470 2.631 9.154 1.00 0.00 O ATOM 1968 OE2 GLU A 126 127.732 0.622 9.397 1.00 0.00 O ATOM 0 H GLU A 126 124.159 4.403 7.549 1.00 0.00 H new ATOM 0 HA GLU A 126 124.289 4.064 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.585 4.178 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.816 4.347 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 126 125.831 2.103 10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 126 125.465 1.937 8.912 1.00 0.00 H new ATOM 1975 N ALA A 127 124.857 6.522 10.832 1.00 0.00 N ATOM 1976 CA ALA A 127 124.901 8.006 10.957 1.00 0.00 C ATOM 1977 C ALA A 127 125.576 8.386 12.277 1.00 0.00 C ATOM 1978 O ALA A 127 126.292 9.374 12.290 1.00 0.00 O ATOM 1979 CB ALA A 127 123.478 8.566 10.937 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.366 7.682 13.252 1.00 0.00 O ATOM 0 H ALA A 127 124.886 6.012 11.715 1.00 0.00 H new ATOM 0 HA ALA A 127 125.466 8.422 10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.513 9.652 11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.994 8.296 9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 127 122.911 8.150 11.770 1.00 0.00 H new TER 1986 ALA A 127