USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=37 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 -164:sc= -0.978! USER MOD Set 1.2: A 96 TYR OH : rot -127:sc= 0.968 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.2!) USER MOD Single : A 1 GLU N :NH3+ -135:sc= 0.0556 (180deg=-0.446) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00364) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 10 THR OG1 : rot -37:sc= 0.0394! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -64:sc= -2.68! USER MOD Single : A 14 THR OG1 : rot -40:sc= 0.275 USER MOD Single : A 17 SER OG : rot 180:sc= -0.565 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 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 26 SER OG : rot -17:sc= 0.239 USER MOD Single : A 27 ASN : amide:sc= -0.478 K(o=-0.48,f=-4.1!) USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= -1! (180deg=-1.15!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.196 K(o=-0.2,f=-2!) USER MOD Single : A 32 ASN : amide:sc= -13.4! C(o=-13!,f=-17!) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.204 K(o=0.2,f=-5.2!) USER MOD Single : A 45 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.3!) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0198) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.081) 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= 0.00668 K(o=0.0067,f=-5.1!) USER MOD Single : A 69 ASN : amide:sc= -0.891 K(o=-0.89,f=-2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= -0.612 (180deg=-0.66) USER MOD Single : A 76 ASN : amide:sc= -0.0571 K(o=-0.057,f=-2.1!) USER MOD Single : A 79 ASN : amide:sc= -2.49! C(o=-2.5!,f=-13!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.0718 (180deg=-0.597) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.525 K(o=-0.53,f=-1.2) USER MOD Single : A 88 MET CE :methyl 159:sc= -0.0445 (180deg=-0.541) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.184 K(o=-0.18,f=-3.1!) USER MOD Single : A 93 ASN : amide:sc= -2.41! C(o=-2.4!,f=-5.3!) USER MOD Single : A 97 SER OG : rot 155:sc= 0.312 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= -0.0355 K(o=-0.035,f=-1.8!) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= -1.25 (180deg=-1.58) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -159:sc= 0.173 (180deg=-0.32!) USER MOD Single : A 117 ASN : amide:sc= -0.482 K(o=-0.48,f=-3.2!) USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= -1.19 (180deg=-1.87) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc=-0.00519 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.510 15.551 -4.653 1.00 0.00 N ATOM 2 CA GLU A 1 116.584 14.606 -5.072 1.00 0.00 C ATOM 3 C GLU A 1 116.155 13.171 -4.753 1.00 0.00 C ATOM 4 O GLU A 1 115.049 12.928 -4.311 1.00 0.00 O ATOM 5 CB GLU A 1 117.873 14.930 -4.313 1.00 0.00 C ATOM 6 CG GLU A 1 118.410 16.286 -4.776 1.00 0.00 C ATOM 7 CD GLU A 1 119.647 16.652 -3.953 1.00 0.00 C ATOM 8 OE1 GLU A 1 120.015 15.870 -3.091 1.00 0.00 O ATOM 9 OE2 GLU A 1 120.207 17.708 -4.198 1.00 0.00 O ATOM 0 H1 GLU A 1 115.352 16.252 -5.405 1.00 0.00 H new ATOM 0 H2 GLU A 1 114.631 15.023 -4.481 1.00 0.00 H new ATOM 0 H3 GLU A 1 115.797 16.038 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 1 116.756 14.705 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 1 117.681 14.950 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 1 118.617 14.153 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 1 118.663 16.246 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 1 117.643 17.052 -4.660 1.00 0.00 H new ATOM 18 N LYS A 2 117.020 12.220 -4.972 1.00 0.00 N ATOM 19 CA LYS A 2 116.662 10.806 -4.674 1.00 0.00 C ATOM 20 C LYS A 2 116.734 10.574 -3.160 1.00 0.00 C ATOM 21 O LYS A 2 117.398 11.296 -2.444 1.00 0.00 O ATOM 22 CB LYS A 2 117.636 9.866 -5.391 1.00 0.00 C ATOM 23 CG LYS A 2 117.387 9.933 -6.900 1.00 0.00 C ATOM 24 CD LYS A 2 118.353 8.991 -7.624 1.00 0.00 C ATOM 25 CE LYS A 2 118.079 9.035 -9.130 1.00 0.00 C ATOM 26 NZ LYS A 2 119.036 8.136 -9.836 1.00 0.00 N ATOM 0 H LYS A 2 117.959 12.361 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 2 115.650 10.603 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.664 10.150 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.503 8.845 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 2 116.357 9.654 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.524 10.954 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 2 119.383 9.285 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 2 118.233 7.974 -7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.054 8.724 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 2 118.182 10.055 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 118.850 8.166 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 120.010 8.452 -9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 118.917 7.162 -9.491 1.00 0.00 H new ATOM 40 N VAL A 3 116.044 9.581 -2.669 1.00 0.00 N ATOM 41 CA VAL A 3 116.058 9.309 -1.202 1.00 0.00 C ATOM 42 C VAL A 3 117.036 8.174 -0.894 1.00 0.00 C ATOM 43 O VAL A 3 117.039 7.151 -1.548 1.00 0.00 O ATOM 44 CB VAL A 3 114.656 8.892 -0.756 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.700 8.408 0.695 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.709 10.088 -0.867 1.00 0.00 C ATOM 0 H VAL A 3 115.470 8.944 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 3 116.368 10.209 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 3 114.299 8.084 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.700 8.112 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.373 7.554 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 3 115.059 9.213 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.709 9.791 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 3 114.067 10.896 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.674 10.430 -1.901 1.00 0.00 H new ATOM 56 N LYS A 4 117.864 8.340 0.108 1.00 0.00 N ATOM 57 CA LYS A 4 118.824 7.255 0.447 1.00 0.00 C ATOM 58 C LYS A 4 118.036 6.056 0.975 1.00 0.00 C ATOM 59 O LYS A 4 117.294 6.162 1.933 1.00 0.00 O ATOM 60 CB LYS A 4 119.795 7.737 1.530 1.00 0.00 C ATOM 61 CG LYS A 4 120.558 8.968 1.033 1.00 0.00 C ATOM 62 CD LYS A 4 121.476 8.573 -0.123 1.00 0.00 C ATOM 63 CE LYS A 4 122.541 9.654 -0.323 1.00 0.00 C ATOM 64 NZ LYS A 4 121.906 10.884 -0.874 1.00 0.00 N ATOM 0 H LYS A 4 117.914 9.171 0.697 1.00 0.00 H new ATOM 0 HA LYS A 4 119.391 6.976 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.247 7.981 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.496 6.941 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.856 9.736 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.144 9.397 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.951 7.615 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.894 8.447 -1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 4 123.029 9.878 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 4 123.314 9.296 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 122.635 11.606 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 121.431 10.657 -1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 121.208 11.248 -0.195 1.00 0.00 H new ATOM 78 N GLY A 5 118.186 4.919 0.360 1.00 0.00 N ATOM 79 CA GLY A 5 117.435 3.722 0.830 1.00 0.00 C ATOM 80 C GLY A 5 117.660 2.561 -0.139 1.00 0.00 C ATOM 81 O GLY A 5 118.098 2.746 -1.261 1.00 0.00 O ATOM 0 H GLY A 5 118.793 4.765 -0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.765 3.443 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.372 3.951 0.898 1.00 0.00 H new ATOM 85 N CYS A 6 117.365 1.365 0.288 1.00 0.00 N ATOM 86 CA CYS A 6 117.564 0.184 -0.598 1.00 0.00 C ATOM 87 C CYS A 6 116.220 -0.287 -1.155 1.00 0.00 C ATOM 88 O CYS A 6 115.237 -0.390 -0.443 1.00 0.00 O ATOM 89 CB CYS A 6 118.195 -0.952 0.214 1.00 0.00 C ATOM 90 SG CYS A 6 119.050 -2.097 -0.897 1.00 0.00 S ATOM 0 H CYS A 6 116.994 1.154 1.214 1.00 0.00 H new ATOM 0 HA CYS A 6 118.217 0.463 -1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.897 -0.545 0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.425 -1.482 0.775 1.00 0.00 H new ATOM 95 N ASP A 7 116.168 -0.577 -2.426 1.00 0.00 N ATOM 96 CA ASP A 7 114.895 -1.055 -3.034 1.00 0.00 C ATOM 97 C ASP A 7 115.049 -2.522 -3.448 1.00 0.00 C ATOM 98 O ASP A 7 115.746 -2.839 -4.392 1.00 0.00 O ATOM 99 CB ASP A 7 114.570 -0.210 -4.266 1.00 0.00 C ATOM 100 CG ASP A 7 113.235 -0.665 -4.862 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.708 -1.659 -4.394 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.766 -0.010 -5.778 1.00 0.00 O ATOM 0 H ASP A 7 116.955 -0.503 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 7 114.087 -0.964 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.518 0.844 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.363 -0.309 -5.007 1.00 0.00 H new ATOM 107 N PHE A 8 114.397 -3.416 -2.759 1.00 0.00 N ATOM 108 CA PHE A 8 114.501 -4.858 -3.119 1.00 0.00 C ATOM 109 C PHE A 8 113.446 -5.184 -4.176 1.00 0.00 C ATOM 110 O PHE A 8 113.330 -6.304 -4.630 1.00 0.00 O ATOM 111 CB PHE A 8 114.254 -5.718 -1.875 1.00 0.00 C ATOM 112 CG PHE A 8 115.352 -5.485 -0.864 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.553 -6.199 -0.956 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.166 -4.560 0.170 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.568 -5.986 -0.016 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.180 -4.347 1.111 1.00 0.00 C ATOM 117 CZ PHE A 8 117.381 -5.060 1.018 1.00 0.00 C ATOM 0 H PHE A 8 113.796 -3.210 -1.961 1.00 0.00 H new ATOM 0 HA PHE A 8 115.497 -5.067 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.286 -5.471 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.220 -6.772 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.696 -6.914 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.239 -4.010 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.495 -6.535 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 8 116.036 -3.633 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.164 -4.896 1.744 1.00 0.00 H new ATOM 127 N THR A 9 112.663 -4.208 -4.551 1.00 0.00 N ATOM 128 CA THR A 9 111.593 -4.453 -5.557 1.00 0.00 C ATOM 129 C THR A 9 112.051 -4.003 -6.948 1.00 0.00 C ATOM 130 O THR A 9 111.476 -4.385 -7.947 1.00 0.00 O ATOM 131 CB THR A 9 110.347 -3.659 -5.156 1.00 0.00 C ATOM 132 OG1 THR A 9 110.007 -3.963 -3.811 1.00 0.00 O ATOM 133 CG2 THR A 9 109.182 -4.029 -6.075 1.00 0.00 C ATOM 0 H THR A 9 112.719 -3.251 -4.203 1.00 0.00 H new ATOM 0 HA THR A 9 111.371 -5.520 -5.589 1.00 0.00 H new ATOM 0 HB THR A 9 110.552 -2.592 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.210 -3.454 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.297 -3.462 -5.787 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.443 -3.794 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.974 -5.095 -5.988 1.00 0.00 H new ATOM 141 N THR A 10 113.068 -3.191 -7.033 1.00 0.00 N ATOM 142 CA THR A 10 113.525 -2.728 -8.376 1.00 0.00 C ATOM 143 C THR A 10 114.964 -2.210 -8.296 1.00 0.00 C ATOM 144 O THR A 10 115.301 -1.410 -7.447 1.00 0.00 O ATOM 145 CB THR A 10 112.609 -1.602 -8.858 1.00 0.00 C ATOM 146 OG1 THR A 10 111.259 -1.933 -8.561 1.00 0.00 O ATOM 147 CG2 THR A 10 112.769 -1.417 -10.369 1.00 0.00 C ATOM 0 H THR A 10 113.599 -2.830 -6.240 1.00 0.00 H new ATOM 0 HA THR A 10 113.487 -3.565 -9.074 1.00 0.00 H new ATOM 0 HB THR A 10 112.878 -0.675 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.125 -2.896 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.115 -0.614 -10.709 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.804 -1.163 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.502 -2.343 -10.879 1.00 0.00 H new ATOM 155 N SER A 11 115.807 -2.653 -9.184 1.00 0.00 N ATOM 156 CA SER A 11 117.224 -2.176 -9.163 1.00 0.00 C ATOM 157 C SER A 11 117.244 -0.675 -9.449 1.00 0.00 C ATOM 158 O SER A 11 118.139 0.038 -9.038 1.00 0.00 O ATOM 159 CB SER A 11 118.029 -2.911 -10.240 1.00 0.00 C ATOM 160 OG SER A 11 117.444 -2.665 -11.512 1.00 0.00 O ATOM 0 H SER A 11 115.582 -3.321 -9.921 1.00 0.00 H new ATOM 0 HA SER A 11 117.666 -2.374 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 11 119.065 -2.572 -10.231 1.00 0.00 H new ATOM 0 HB3 SER A 11 118.042 -3.981 -10.034 1.00 0.00 H new ATOM 0 HG SER A 11 117.957 -3.132 -12.204 1.00 0.00 H new ATOM 166 N GLU A 12 116.252 -0.191 -10.144 1.00 0.00 N ATOM 167 CA GLU A 12 116.189 1.266 -10.458 1.00 0.00 C ATOM 168 C GLU A 12 114.978 1.873 -9.744 1.00 0.00 C ATOM 169 O GLU A 12 113.852 1.715 -10.170 1.00 0.00 O ATOM 170 CB GLU A 12 116.035 1.454 -11.967 1.00 0.00 C ATOM 171 CG GLU A 12 117.318 1.011 -12.674 1.00 0.00 C ATOM 172 CD GLU A 12 117.126 1.110 -14.187 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.041 1.486 -14.604 1.00 0.00 O ATOM 174 OE2 GLU A 12 118.064 0.807 -14.905 1.00 0.00 O ATOM 0 H GLU A 12 115.478 -0.745 -10.510 1.00 0.00 H new ATOM 0 HA GLU A 12 117.103 1.758 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.188 0.873 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.825 2.499 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 12 118.153 1.637 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.565 -0.013 -12.394 1.00 0.00 H new ATOM 181 N SER A 13 115.203 2.551 -8.654 1.00 0.00 N ATOM 182 CA SER A 13 114.062 3.150 -7.904 1.00 0.00 C ATOM 183 C SER A 13 113.977 4.652 -8.175 1.00 0.00 C ATOM 184 O SER A 13 114.830 5.418 -7.773 1.00 0.00 O ATOM 185 CB SER A 13 114.267 2.921 -6.406 1.00 0.00 C ATOM 186 OG SER A 13 114.441 1.533 -6.164 1.00 0.00 O ATOM 0 H SER A 13 116.125 2.717 -8.250 1.00 0.00 H new ATOM 0 HA SER A 13 113.136 2.677 -8.232 1.00 0.00 H new ATOM 0 HB2 SER A 13 115.139 3.475 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.408 3.294 -5.848 1.00 0.00 H new ATOM 0 HG SER A 13 113.622 1.053 -6.407 1.00 0.00 H new ATOM 192 N THR A 14 112.936 5.074 -8.833 1.00 0.00 N ATOM 193 CA THR A 14 112.765 6.524 -9.116 1.00 0.00 C ATOM 194 C THR A 14 112.564 7.252 -7.787 1.00 0.00 C ATOM 195 O THR A 14 112.340 8.446 -7.744 1.00 0.00 O ATOM 196 CB THR A 14 111.534 6.731 -10.006 1.00 0.00 C ATOM 197 OG1 THR A 14 111.508 8.072 -10.474 1.00 0.00 O ATOM 198 CG2 THR A 14 110.266 6.444 -9.201 1.00 0.00 C ATOM 0 H THR A 14 112.192 4.474 -9.189 1.00 0.00 H new ATOM 0 HA THR A 14 113.644 6.914 -9.630 1.00 0.00 H new ATOM 0 HB THR A 14 111.583 6.051 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.785 8.675 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.392 6.592 -9.835 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.286 5.414 -8.845 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.215 7.122 -8.349 1.00 0.00 H new ATOM 206 N ILE A 15 112.634 6.531 -6.699 1.00 0.00 N ATOM 207 CA ILE A 15 112.444 7.159 -5.363 1.00 0.00 C ATOM 208 C ILE A 15 113.662 6.892 -4.471 1.00 0.00 C ATOM 209 O ILE A 15 114.021 7.702 -3.640 1.00 0.00 O ATOM 210 CB ILE A 15 111.187 6.575 -4.710 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.154 5.060 -4.932 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.941 7.206 -5.332 1.00 0.00 C ATOM 213 CD1 ILE A 15 109.966 4.457 -4.180 1.00 0.00 C ATOM 0 H ILE A 15 112.816 5.528 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 15 112.332 8.236 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 15 111.205 6.788 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 15 111.073 4.840 -5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.084 4.611 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.049 6.788 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 15 109.962 8.284 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.922 6.996 -6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 15 109.944 3.379 -4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.066 4.665 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.040 4.897 -4.550 1.00 0.00 H new ATOM 225 N PHE A 16 114.302 5.760 -4.629 1.00 0.00 N ATOM 226 CA PHE A 16 115.489 5.449 -3.774 1.00 0.00 C ATOM 227 C PHE A 16 116.756 5.419 -4.634 1.00 0.00 C ATOM 228 O PHE A 16 116.727 5.049 -5.790 1.00 0.00 O ATOM 229 CB PHE A 16 115.301 4.093 -3.093 1.00 0.00 C ATOM 230 CG PHE A 16 114.301 4.226 -1.969 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.648 4.913 -0.799 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.026 3.663 -2.098 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.720 5.037 0.243 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.098 3.787 -1.056 1.00 0.00 C ATOM 235 CZ PHE A 16 112.445 4.473 0.114 1.00 0.00 C ATOM 0 H PHE A 16 114.056 5.041 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 16 115.588 6.222 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 16 114.954 3.356 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.254 3.734 -2.705 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.632 5.348 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.758 3.133 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 16 113.988 5.567 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.114 3.353 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.729 4.567 0.917 1.00 0.00 H new ATOM 245 N SER A 17 117.869 5.822 -4.075 1.00 0.00 N ATOM 246 CA SER A 17 119.140 5.842 -4.851 1.00 0.00 C ATOM 247 C SER A 17 119.757 4.442 -4.928 1.00 0.00 C ATOM 248 O SER A 17 120.573 4.168 -5.787 1.00 0.00 O ATOM 249 CB SER A 17 120.129 6.784 -4.162 1.00 0.00 C ATOM 250 OG SER A 17 119.809 8.128 -4.496 1.00 0.00 O ATOM 0 H SER A 17 117.949 6.139 -3.109 1.00 0.00 H new ATOM 0 HA SER A 17 118.925 6.184 -5.863 1.00 0.00 H new ATOM 0 HB2 SER A 17 120.088 6.646 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 17 121.147 6.552 -4.474 1.00 0.00 H new ATOM 0 HG SER A 17 120.440 8.734 -4.054 1.00 0.00 H new ATOM 256 N LYS A 18 119.401 3.553 -4.037 1.00 0.00 N ATOM 257 CA LYS A 18 120.006 2.192 -4.080 1.00 0.00 C ATOM 258 C LYS A 18 118.929 1.123 -4.273 1.00 0.00 C ATOM 259 O LYS A 18 117.927 1.101 -3.585 1.00 0.00 O ATOM 260 CB LYS A 18 120.745 1.926 -2.763 1.00 0.00 C ATOM 261 CG LYS A 18 121.640 0.692 -2.916 1.00 0.00 C ATOM 262 CD LYS A 18 122.999 1.116 -3.476 1.00 0.00 C ATOM 263 CE LYS A 18 123.921 -0.101 -3.556 1.00 0.00 C ATOM 264 NZ LYS A 18 125.233 0.308 -4.131 1.00 0.00 N ATOM 0 H LYS A 18 118.725 3.709 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 18 120.699 2.147 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.347 2.793 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 18 120.028 1.770 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.769 0.201 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 18 121.170 -0.032 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 18 122.875 1.557 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.444 1.881 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.064 -0.528 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 18 123.466 -0.875 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.861 -0.519 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.088 0.697 -5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.667 1.033 -3.524 1.00 0.00 H new ATOM 278 N GLY A 19 119.135 0.228 -5.203 1.00 0.00 N ATOM 279 CA GLY A 19 118.136 -0.854 -5.437 1.00 0.00 C ATOM 280 C GLY A 19 118.849 -2.103 -5.966 1.00 0.00 C ATOM 281 O GLY A 19 119.940 -2.031 -6.497 1.00 0.00 O ATOM 0 H GLY A 19 119.953 0.200 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.612 -1.087 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.384 -0.521 -6.153 1.00 0.00 H new ATOM 285 N TYR A 20 118.238 -3.251 -5.826 1.00 0.00 N ATOM 286 CA TYR A 20 118.873 -4.510 -6.316 1.00 0.00 C ATOM 287 C TYR A 20 117.997 -5.138 -7.402 1.00 0.00 C ATOM 288 O TYR A 20 116.796 -4.951 -7.429 1.00 0.00 O ATOM 289 CB TYR A 20 119.017 -5.497 -5.157 1.00 0.00 C ATOM 290 CG TYR A 20 120.217 -5.132 -4.317 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.180 -4.001 -3.495 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.364 -5.933 -4.356 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.292 -3.668 -2.712 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.476 -5.602 -3.573 1.00 0.00 C ATOM 295 CZ TYR A 20 122.440 -4.468 -2.751 1.00 0.00 C ATOM 296 OH TYR A 20 123.536 -4.141 -1.978 1.00 0.00 O ATOM 0 H TYR A 20 117.323 -3.371 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 20 119.856 -4.279 -6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.116 -5.485 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.127 -6.511 -5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.294 -3.385 -3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.391 -6.807 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.264 -2.794 -2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.361 -6.220 -3.602 1.00 0.00 H new ATOM 0 HH TYR A 20 124.247 -4.800 -2.122 1.00 0.00 H new ATOM 306 N SER A 21 118.587 -5.888 -8.292 1.00 0.00 N ATOM 307 CA SER A 21 117.790 -6.533 -9.373 1.00 0.00 C ATOM 308 C SER A 21 117.312 -7.906 -8.897 1.00 0.00 C ATOM 309 O SER A 21 117.973 -8.564 -8.114 1.00 0.00 O ATOM 310 CB SER A 21 118.664 -6.698 -10.618 1.00 0.00 C ATOM 311 OG SER A 21 117.834 -6.934 -11.747 1.00 0.00 O ATOM 0 H SER A 21 119.588 -6.082 -8.317 1.00 0.00 H new ATOM 0 HA SER A 21 116.928 -5.911 -9.615 1.00 0.00 H new ATOM 0 HB2 SER A 21 119.265 -5.803 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 21 119.357 -7.528 -10.482 1.00 0.00 H new ATOM 0 HG SER A 21 118.391 -7.038 -12.546 1.00 0.00 H new ATOM 317 N ILE A 22 116.173 -8.348 -9.356 1.00 0.00 N ATOM 318 CA ILE A 22 115.666 -9.678 -8.916 1.00 0.00 C ATOM 319 C ILE A 22 116.722 -10.748 -9.201 1.00 0.00 C ATOM 320 O ILE A 22 116.831 -11.728 -8.491 1.00 0.00 O ATOM 321 CB ILE A 22 114.375 -10.012 -9.668 1.00 0.00 C ATOM 322 CG1 ILE A 22 114.643 -10.030 -11.175 1.00 0.00 C ATOM 323 CG2 ILE A 22 113.315 -8.956 -9.356 1.00 0.00 C ATOM 324 CD1 ILE A 22 113.385 -10.502 -11.909 1.00 0.00 C ATOM 0 H ILE A 22 115.574 -7.848 -10.013 1.00 0.00 H new ATOM 0 HA ILE A 22 115.460 -9.651 -7.846 1.00 0.00 H new ATOM 0 HB ILE A 22 114.020 -10.993 -9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 22 114.925 -9.034 -11.517 1.00 0.00 H new ATOM 0 HG13 ILE A 22 115.479 -10.693 -11.399 1.00 0.00 H new ATOM 0 HG21 ILE A 22 112.396 -9.194 -9.891 1.00 0.00 H new ATOM 0 HG22 ILE A 22 113.118 -8.944 -8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 22 113.674 -7.976 -9.670 1.00 0.00 H new ATOM 0 HD11 ILE A 22 113.574 -10.516 -12.982 1.00 0.00 H new ATOM 0 HD12 ILE A 22 113.123 -11.506 -11.574 1.00 0.00 H new ATOM 0 HD13 ILE A 22 112.561 -9.821 -11.694 1.00 0.00 H new ATOM 336 N ASN A 23 117.504 -10.571 -10.233 1.00 0.00 N ATOM 337 CA ASN A 23 118.551 -11.579 -10.554 1.00 0.00 C ATOM 338 C ASN A 23 119.631 -11.559 -9.473 1.00 0.00 C ATOM 339 O ASN A 23 120.125 -12.584 -9.053 1.00 0.00 O ATOM 340 CB ASN A 23 119.182 -11.245 -11.908 1.00 0.00 C ATOM 341 CG ASN A 23 120.236 -12.299 -12.254 1.00 0.00 C ATOM 342 OD1 ASN A 23 120.061 -13.466 -11.967 1.00 0.00 O ATOM 343 ND2 ASN A 23 121.332 -11.933 -12.862 1.00 0.00 N ATOM 0 H ASN A 23 117.461 -9.772 -10.866 1.00 0.00 H new ATOM 0 HA ASN A 23 118.098 -12.570 -10.596 1.00 0.00 H new ATOM 0 HB2 ASN A 23 118.414 -11.215 -12.681 1.00 0.00 H new ATOM 0 HB3 ASN A 23 119.639 -10.256 -11.874 1.00 0.00 H new ATOM 0 HD21 ASN A 23 122.042 -12.627 -13.096 1.00 0.00 H new ATOM 0 HD22 ASN A 23 121.479 -10.953 -13.103 1.00 0.00 H new ATOM 350 N GLU A 24 120.011 -10.393 -9.028 1.00 0.00 N ATOM 351 CA GLU A 24 121.078 -10.302 -7.988 1.00 0.00 C ATOM 352 C GLU A 24 120.685 -11.107 -6.750 1.00 0.00 C ATOM 353 O GLU A 24 121.460 -11.892 -6.242 1.00 0.00 O ATOM 354 CB GLU A 24 121.282 -8.834 -7.595 1.00 0.00 C ATOM 355 CG GLU A 24 121.933 -8.077 -8.755 1.00 0.00 C ATOM 356 CD GLU A 24 122.035 -6.591 -8.405 1.00 0.00 C ATOM 357 OE1 GLU A 24 121.631 -6.231 -7.311 1.00 0.00 O ATOM 358 OE2 GLU A 24 122.512 -5.837 -9.238 1.00 0.00 O ATOM 0 H GLU A 24 119.630 -9.499 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 24 122.003 -10.710 -8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 24 120.325 -8.378 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 24 121.911 -8.769 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 24 122.925 -8.482 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 24 121.345 -8.208 -9.663 1.00 0.00 H new ATOM 365 N ILE A 25 119.489 -10.928 -6.258 1.00 0.00 N ATOM 366 CA ILE A 25 119.074 -11.688 -5.043 1.00 0.00 C ATOM 367 C ILE A 25 119.079 -13.186 -5.348 1.00 0.00 C ATOM 368 O ILE A 25 119.560 -13.983 -4.568 1.00 0.00 O ATOM 369 CB ILE A 25 117.674 -11.241 -4.610 1.00 0.00 C ATOM 370 CG1 ILE A 25 116.732 -11.242 -5.818 1.00 0.00 C ATOM 371 CG2 ILE A 25 117.745 -9.832 -4.024 1.00 0.00 C ATOM 372 CD1 ILE A 25 115.323 -10.854 -5.364 1.00 0.00 C ATOM 0 H ILE A 25 118.787 -10.295 -6.640 1.00 0.00 H new ATOM 0 HA ILE A 25 119.775 -11.490 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 25 117.295 -11.931 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 25 117.089 -10.541 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 25 116.718 -12.228 -6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 25 116.748 -9.515 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.409 -9.830 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 25 118.128 -9.144 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.651 -10.854 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.968 -11.573 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.345 -9.859 -4.921 1.00 0.00 H new ATOM 384 N SER A 26 118.557 -13.575 -6.479 1.00 0.00 N ATOM 385 CA SER A 26 118.543 -15.022 -6.835 1.00 0.00 C ATOM 386 C SER A 26 119.967 -15.472 -7.183 1.00 0.00 C ATOM 387 O SER A 26 120.348 -16.594 -6.924 1.00 0.00 O ATOM 388 CB SER A 26 117.626 -15.244 -8.037 1.00 0.00 C ATOM 389 OG SER A 26 118.093 -14.470 -9.134 1.00 0.00 O ATOM 0 H SER A 26 118.140 -12.953 -7.172 1.00 0.00 H new ATOM 0 HA SER A 26 118.174 -15.603 -5.990 1.00 0.00 H new ATOM 0 HB2 SER A 26 117.607 -16.301 -8.304 1.00 0.00 H new ATOM 0 HB3 SER A 26 116.604 -14.961 -7.786 1.00 0.00 H new ATOM 0 HG SER A 26 118.711 -13.782 -8.810 1.00 0.00 H new ATOM 395 N ASN A 27 120.749 -14.602 -7.773 1.00 0.00 N ATOM 396 CA ASN A 27 122.138 -14.980 -8.140 1.00 0.00 C ATOM 397 C ASN A 27 122.866 -15.503 -6.897 1.00 0.00 C ATOM 398 O ASN A 27 123.707 -14.833 -6.334 1.00 0.00 O ATOM 399 CB ASN A 27 122.872 -13.751 -8.681 1.00 0.00 C ATOM 400 CG ASN A 27 124.260 -14.165 -9.176 1.00 0.00 C ATOM 401 OD1 ASN A 27 124.645 -15.310 -9.051 1.00 0.00 O ATOM 402 ND2 ASN A 27 125.031 -13.274 -9.737 1.00 0.00 N ATOM 0 H ASN A 27 120.481 -13.648 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 27 122.117 -15.757 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 27 122.302 -13.303 -9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 27 122.962 -12.995 -7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 27 125.958 -13.539 -10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 27 124.707 -12.313 -9.842 1.00 0.00 H new ATOM 409 N LYS A 28 122.537 -16.687 -6.462 1.00 0.00 N ATOM 410 CA LYS A 28 123.203 -17.259 -5.258 1.00 0.00 C ATOM 411 C LYS A 28 124.697 -17.432 -5.541 1.00 0.00 C ATOM 412 O LYS A 28 125.169 -18.519 -5.811 1.00 0.00 O ATOM 413 CB LYS A 28 122.583 -18.621 -4.936 1.00 0.00 C ATOM 414 CG LYS A 28 122.750 -18.920 -3.446 1.00 0.00 C ATOM 415 CD LYS A 28 122.014 -20.217 -3.098 1.00 0.00 C ATOM 416 CE LYS A 28 122.274 -20.578 -1.633 1.00 0.00 C ATOM 417 NZ LYS A 28 121.720 -19.510 -0.754 1.00 0.00 N ATOM 0 H LYS A 28 121.832 -17.286 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 28 123.068 -16.588 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 28 121.526 -18.623 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 28 123.062 -19.400 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 28 123.808 -19.013 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 28 122.355 -18.095 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 28 120.944 -20.097 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 28 122.352 -21.024 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 28 121.811 -21.536 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 28 123.344 -20.689 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 121.552 -19.896 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 122.398 -18.723 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 120.823 -19.165 -1.151 1.00 0.00 H new ATOM 431 N SER A 29 125.448 -16.367 -5.480 1.00 0.00 N ATOM 432 CA SER A 29 126.911 -16.465 -5.748 1.00 0.00 C ATOM 433 C SER A 29 127.686 -15.792 -4.615 1.00 0.00 C ATOM 434 O SER A 29 128.079 -16.426 -3.658 1.00 0.00 O ATOM 435 CB SER A 29 127.232 -15.764 -7.072 1.00 0.00 C ATOM 436 OG SER A 29 128.633 -15.826 -7.307 1.00 0.00 O ATOM 0 H SER A 29 125.111 -15.431 -5.256 1.00 0.00 H new ATOM 0 HA SER A 29 127.200 -17.514 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 29 126.693 -16.241 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 29 126.903 -14.725 -7.036 1.00 0.00 H new ATOM 0 HG SER A 29 128.843 -15.380 -8.154 1.00 0.00 H new ATOM 442 N SER A 30 127.908 -14.510 -4.719 1.00 0.00 N ATOM 443 CA SER A 30 128.666 -13.794 -3.651 1.00 0.00 C ATOM 444 C SER A 30 127.890 -12.550 -3.216 1.00 0.00 C ATOM 445 O SER A 30 127.629 -12.347 -2.047 1.00 0.00 O ATOM 446 CB SER A 30 130.033 -13.379 -4.197 1.00 0.00 C ATOM 447 OG SER A 30 130.931 -13.187 -3.112 1.00 0.00 O ATOM 0 H SER A 30 127.598 -13.927 -5.496 1.00 0.00 H new ATOM 0 HA SER A 30 128.798 -14.453 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 30 130.417 -14.145 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 30 129.943 -12.460 -4.777 1.00 0.00 H new ATOM 0 HG SER A 30 131.809 -12.923 -3.457 1.00 0.00 H new ATOM 453 N ASN A 31 127.515 -11.716 -4.147 1.00 0.00 N ATOM 454 CA ASN A 31 126.753 -10.484 -3.786 1.00 0.00 C ATOM 455 C ASN A 31 125.389 -10.878 -3.208 1.00 0.00 C ATOM 456 O ASN A 31 124.645 -10.043 -2.731 1.00 0.00 O ATOM 457 CB ASN A 31 126.546 -9.626 -5.035 1.00 0.00 C ATOM 458 CG ASN A 31 125.900 -8.296 -4.640 1.00 0.00 C ATOM 459 OD1 ASN A 31 126.059 -7.837 -3.526 1.00 0.00 O ATOM 460 ND2 ASN A 31 125.173 -7.653 -5.513 1.00 0.00 N ATOM 0 H ASN A 31 127.703 -11.833 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 31 127.314 -9.916 -3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 31 127.501 -9.446 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 31 125.913 -10.152 -5.750 1.00 0.00 H new ATOM 0 HD21 ASN A 31 124.739 -6.765 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 31 125.039 -8.038 -6.448 1.00 0.00 H new ATOM 467 N ASN A 32 125.060 -12.137 -3.243 1.00 0.00 N ATOM 468 CA ASN A 32 123.744 -12.578 -2.698 1.00 0.00 C ATOM 469 C ASN A 32 123.779 -14.084 -2.427 1.00 0.00 C ATOM 470 O ASN A 32 123.988 -14.879 -3.320 1.00 0.00 O ATOM 471 CB ASN A 32 122.640 -12.271 -3.714 1.00 0.00 C ATOM 472 CG ASN A 32 122.566 -10.761 -3.947 1.00 0.00 C ATOM 473 OD1 ASN A 32 122.322 -10.003 -3.029 1.00 0.00 O ATOM 474 ND2 ASN A 32 122.775 -10.287 -5.144 1.00 0.00 N ATOM 0 H ASN A 32 125.644 -12.881 -3.625 1.00 0.00 H new ATOM 0 HA ASN A 32 123.543 -12.046 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 32 122.843 -12.785 -4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 32 121.682 -12.641 -3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 32 122.734 -9.281 -5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 32 122.980 -10.922 -5.915 1.00 0.00 H new ATOM 481 N GLN A 33 123.584 -14.484 -1.200 1.00 0.00 N ATOM 482 CA GLN A 33 123.610 -15.939 -0.876 1.00 0.00 C ATOM 483 C GLN A 33 122.443 -16.277 0.058 1.00 0.00 C ATOM 484 O GLN A 33 121.674 -17.180 -0.200 1.00 0.00 O ATOM 485 CB GLN A 33 124.935 -16.287 -0.195 1.00 0.00 C ATOM 486 CG GLN A 33 125.328 -15.168 0.771 1.00 0.00 C ATOM 487 CD GLN A 33 126.685 -15.491 1.400 1.00 0.00 C ATOM 488 OE1 GLN A 33 127.167 -16.601 1.294 1.00 0.00 O ATOM 489 NE2 GLN A 33 127.326 -14.562 2.055 1.00 0.00 N ATOM 0 H GLN A 33 123.408 -13.866 -0.408 1.00 0.00 H new ATOM 0 HA GLN A 33 123.514 -16.518 -1.794 1.00 0.00 H new ATOM 0 HB2 GLN A 33 124.841 -17.230 0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 33 125.715 -16.424 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 33 125.378 -14.217 0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.571 -15.061 1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 33 126.922 -13.630 2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 33 128.231 -14.768 2.478 1.00 0.00 H new ATOM 498 N GLN A 34 122.312 -15.565 1.140 1.00 0.00 N ATOM 499 CA GLN A 34 121.193 -15.846 2.085 1.00 0.00 C ATOM 500 C GLN A 34 120.870 -14.585 2.888 1.00 0.00 C ATOM 501 O GLN A 34 119.793 -14.443 3.432 1.00 0.00 O ATOM 502 CB GLN A 34 121.603 -16.970 3.040 1.00 0.00 C ATOM 503 CG GLN A 34 122.813 -16.527 3.867 1.00 0.00 C ATOM 504 CD GLN A 34 123.187 -17.634 4.854 1.00 0.00 C ATOM 505 OE1 GLN A 34 122.333 -18.371 5.309 1.00 0.00 O ATOM 506 NE2 GLN A 34 124.433 -17.783 5.209 1.00 0.00 N ATOM 0 H GLN A 34 122.930 -14.801 1.413 1.00 0.00 H new ATOM 0 HA GLN A 34 120.311 -16.151 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 34 120.772 -17.222 3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 34 121.846 -17.870 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 34 123.656 -16.310 3.211 1.00 0.00 H new ATOM 0 HG3 GLN A 34 122.583 -15.608 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 34 125.149 -17.165 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 34 124.691 -18.517 5.868 1.00 0.00 H new ATOM 515 N ASP A 35 121.796 -13.666 2.962 1.00 0.00 N ATOM 516 CA ASP A 35 121.548 -12.415 3.730 1.00 0.00 C ATOM 517 C ASP A 35 121.939 -11.208 2.876 1.00 0.00 C ATOM 518 O ASP A 35 123.106 -10.949 2.652 1.00 0.00 O ATOM 519 CB ASP A 35 122.392 -12.424 5.005 1.00 0.00 C ATOM 520 CG ASP A 35 121.883 -13.511 5.953 1.00 0.00 C ATOM 521 OD1 ASP A 35 120.858 -14.098 5.651 1.00 0.00 O ATOM 522 OD2 ASP A 35 122.525 -13.736 6.965 1.00 0.00 O ATOM 0 H ASP A 35 122.714 -13.730 2.522 1.00 0.00 H new ATOM 0 HA ASP A 35 120.491 -12.353 3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 35 123.438 -12.604 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.342 -11.450 5.492 1.00 0.00 H new ATOM 527 N ILE A 36 120.981 -10.461 2.404 1.00 0.00 N ATOM 528 CA ILE A 36 121.315 -9.270 1.571 1.00 0.00 C ATOM 529 C ILE A 36 121.336 -8.034 2.469 1.00 0.00 C ATOM 530 O ILE A 36 120.344 -7.676 3.073 1.00 0.00 O ATOM 531 CB ILE A 36 120.257 -9.091 0.478 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.889 -10.456 -0.110 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.820 -8.195 -0.628 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.162 -11.210 -0.501 1.00 0.00 C ATOM 0 H ILE A 36 119.985 -10.621 2.557 1.00 0.00 H new ATOM 0 HA ILE A 36 122.290 -9.408 1.103 1.00 0.00 H new ATOM 0 HB ILE A 36 119.366 -8.631 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.321 -11.035 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.249 -10.326 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 36 120.070 -8.065 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 36 121.082 -7.223 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.710 -8.658 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 36 120.896 -12.181 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.713 -10.633 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.785 -11.353 0.381 1.00 0.00 H new ATOM 546 N VAL A 37 122.462 -7.380 2.573 1.00 0.00 N ATOM 547 CA VAL A 37 122.537 -6.178 3.448 1.00 0.00 C ATOM 548 C VAL A 37 122.801 -4.928 2.609 1.00 0.00 C ATOM 549 O VAL A 37 123.741 -4.869 1.842 1.00 0.00 O ATOM 550 CB VAL A 37 123.678 -6.353 4.453 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.957 -5.018 5.148 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.283 -7.397 5.499 1.00 0.00 C ATOM 0 H VAL A 37 123.328 -7.625 2.092 1.00 0.00 H new ATOM 0 HA VAL A 37 121.588 -6.064 3.973 1.00 0.00 H new ATOM 0 HB VAL A 37 124.574 -6.685 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.770 -5.143 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.240 -4.273 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 37 123.060 -4.686 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.096 -7.521 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.386 -7.066 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.085 -8.349 5.006 1.00 0.00 H new ATOM 562 N CYS A 38 121.992 -3.917 2.775 1.00 0.00 N ATOM 563 CA CYS A 38 122.214 -2.656 2.016 1.00 0.00 C ATOM 564 C CYS A 38 122.856 -1.635 2.957 1.00 0.00 C ATOM 565 O CYS A 38 122.199 -1.045 3.790 1.00 0.00 O ATOM 566 CB CYS A 38 120.873 -2.107 1.517 1.00 0.00 C ATOM 567 SG CYS A 38 120.138 -3.269 0.340 1.00 0.00 S ATOM 0 H CYS A 38 121.188 -3.911 3.403 1.00 0.00 H new ATOM 0 HA CYS A 38 122.861 -2.847 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.198 -1.950 2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 38 121.020 -1.137 1.042 1.00 0.00 H new ATOM 572 N THR A 39 124.136 -1.428 2.839 1.00 0.00 N ATOM 573 CA THR A 39 124.812 -0.452 3.742 1.00 0.00 C ATOM 574 C THR A 39 124.901 0.913 3.055 1.00 0.00 C ATOM 575 O THR A 39 125.501 1.057 2.009 1.00 0.00 O ATOM 576 CB THR A 39 126.223 -0.949 4.066 1.00 0.00 C ATOM 577 OG1 THR A 39 126.139 -2.201 4.732 1.00 0.00 O ATOM 578 CG2 THR A 39 126.927 0.065 4.969 1.00 0.00 C ATOM 0 H THR A 39 124.743 -1.889 2.161 1.00 0.00 H new ATOM 0 HA THR A 39 124.236 -0.357 4.663 1.00 0.00 H new ATOM 0 HB THR A 39 126.790 -1.065 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.041 -2.523 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.932 -0.289 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 39 126.989 1.026 4.458 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.362 0.182 5.894 1.00 0.00 H new ATOM 586 N VAL A 40 124.316 1.918 3.647 1.00 0.00 N ATOM 587 CA VAL A 40 124.371 3.278 3.043 1.00 0.00 C ATOM 588 C VAL A 40 124.578 4.308 4.154 1.00 0.00 C ATOM 589 O VAL A 40 124.263 4.064 5.302 1.00 0.00 O ATOM 590 CB VAL A 40 123.060 3.572 2.306 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.938 2.649 1.092 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.879 3.329 3.249 1.00 0.00 C ATOM 0 H VAL A 40 123.801 1.855 4.525 1.00 0.00 H new ATOM 0 HA VAL A 40 125.196 3.330 2.333 1.00 0.00 H new ATOM 0 HB VAL A 40 123.055 4.611 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.005 2.858 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.778 2.820 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.943 1.610 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.946 3.538 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.885 2.290 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 40 121.964 3.985 4.115 1.00 0.00 H new ATOM 602 N LYS A 41 125.104 5.456 3.827 1.00 0.00 N ATOM 603 CA LYS A 41 125.325 6.495 4.873 1.00 0.00 C ATOM 604 C LYS A 41 124.187 7.518 4.820 1.00 0.00 C ATOM 605 O LYS A 41 123.848 8.032 3.773 1.00 0.00 O ATOM 606 CB LYS A 41 126.659 7.199 4.622 1.00 0.00 C ATOM 607 CG LYS A 41 127.804 6.205 4.830 1.00 0.00 C ATOM 608 CD LYS A 41 129.139 6.905 4.575 1.00 0.00 C ATOM 609 CE LYS A 41 130.285 5.913 4.784 1.00 0.00 C ATOM 610 NZ LYS A 41 131.584 6.593 4.525 1.00 0.00 N ATOM 0 H LYS A 41 125.390 5.720 2.884 1.00 0.00 H new ATOM 0 HA LYS A 41 125.346 6.024 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.688 7.597 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.770 8.045 5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 41 127.777 5.810 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.691 5.357 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.166 7.300 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.251 7.754 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 41 130.263 5.524 5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 41 130.169 5.061 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 132.363 5.919 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 131.603 6.943 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 131.694 7.393 5.181 1.00 0.00 H new ATOM 624 N ALA A 42 123.598 7.819 5.945 1.00 0.00 N ATOM 625 CA ALA A 42 122.482 8.806 5.961 1.00 0.00 C ATOM 626 C ALA A 42 123.038 10.206 6.223 1.00 0.00 C ATOM 627 O ALA A 42 124.146 10.366 6.699 1.00 0.00 O ATOM 628 CB ALA A 42 121.489 8.432 7.065 1.00 0.00 C ATOM 0 H ALA A 42 123.841 7.424 6.853 1.00 0.00 H new ATOM 0 HA ALA A 42 121.974 8.796 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.672 9.153 7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.091 7.435 6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.997 8.441 8.029 1.00 0.00 H new ATOM 634 N HIS A 43 122.280 11.225 5.914 1.00 0.00 N ATOM 635 CA HIS A 43 122.771 12.614 6.142 1.00 0.00 C ATOM 636 C HIS A 43 121.632 13.477 6.699 1.00 0.00 C ATOM 637 O HIS A 43 120.471 13.244 6.425 1.00 0.00 O ATOM 638 CB HIS A 43 123.258 13.205 4.818 1.00 0.00 C ATOM 639 CG HIS A 43 124.188 14.354 5.091 1.00 0.00 C ATOM 640 ND1 HIS A 43 123.725 15.622 5.412 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.559 14.442 5.095 1.00 0.00 C ATOM 642 CE1 HIS A 43 124.801 16.412 5.594 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.939 15.740 5.412 1.00 0.00 N ATOM 0 H HIS A 43 121.344 11.155 5.514 1.00 0.00 H new ATOM 0 HA HIS A 43 123.593 12.595 6.857 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.770 12.441 4.233 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.409 13.544 4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.237 13.628 4.884 1.00 0.00 H new ATOM 0 HE1 HIS A 43 124.749 17.459 5.855 1.00 0.00 H new ATOM 0 HE2 HIS A 43 126.889 16.103 5.489 1.00 0.00 H new ATOM 652 N ALA A 44 121.959 14.467 7.485 1.00 0.00 N ATOM 653 CA ALA A 44 120.903 15.341 8.071 1.00 0.00 C ATOM 654 C ALA A 44 120.051 15.949 6.951 1.00 0.00 C ATOM 655 O ALA A 44 118.908 16.306 7.154 1.00 0.00 O ATOM 656 CB ALA A 44 121.568 16.466 8.870 1.00 0.00 C ATOM 0 H ALA A 44 122.915 14.709 7.747 1.00 0.00 H new ATOM 0 HA ALA A 44 120.265 14.748 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.801 17.109 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.173 16.037 9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.205 17.054 8.209 1.00 0.00 H new ATOM 662 N ASN A 45 120.597 16.072 5.774 1.00 0.00 N ATOM 663 CA ASN A 45 119.816 16.662 4.649 1.00 0.00 C ATOM 664 C ASN A 45 119.254 15.545 3.772 1.00 0.00 C ATOM 665 O ASN A 45 118.254 15.713 3.103 1.00 0.00 O ATOM 666 CB ASN A 45 120.734 17.556 3.809 1.00 0.00 C ATOM 667 CG ASN A 45 119.893 18.388 2.839 1.00 0.00 C ATOM 668 OD1 ASN A 45 118.796 18.797 3.165 1.00 0.00 O ATOM 669 ND2 ASN A 45 120.364 18.658 1.652 1.00 0.00 N ATOM 0 H ASN A 45 121.549 15.790 5.541 1.00 0.00 H new ATOM 0 HA ASN A 45 118.993 17.254 5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.313 18.212 4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.447 16.945 3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.811 19.212 0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.285 18.315 1.378 1.00 0.00 H new ATOM 676 N ASP A 46 119.901 14.411 3.760 1.00 0.00 N ATOM 677 CA ASP A 46 119.418 13.288 2.908 1.00 0.00 C ATOM 678 C ASP A 46 118.243 12.584 3.587 1.00 0.00 C ATOM 679 O ASP A 46 118.279 12.291 4.766 1.00 0.00 O ATOM 680 CB ASP A 46 120.560 12.283 2.712 1.00 0.00 C ATOM 681 CG ASP A 46 121.685 12.931 1.903 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.426 13.936 1.264 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.790 12.412 1.941 1.00 0.00 O ATOM 0 H ASP A 46 120.742 14.214 4.303 1.00 0.00 H new ATOM 0 HA ASP A 46 119.092 13.681 1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 46 120.938 11.954 3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.192 11.396 2.196 1.00 0.00 H new ATOM 688 N LEU A 47 117.205 12.296 2.849 1.00 0.00 N ATOM 689 CA LEU A 47 116.038 11.587 3.448 1.00 0.00 C ATOM 690 C LEU A 47 116.382 10.100 3.571 1.00 0.00 C ATOM 691 O LEU A 47 117.144 9.564 2.787 1.00 0.00 O ATOM 692 CB LEU A 47 114.808 11.753 2.553 1.00 0.00 C ATOM 693 CG LEU A 47 114.464 13.238 2.413 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.256 13.392 1.487 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.127 13.820 3.787 1.00 0.00 C ATOM 0 H LEU A 47 117.115 12.521 1.858 1.00 0.00 H new ATOM 0 HA LEU A 47 115.818 12.006 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.001 11.321 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 47 113.962 11.213 2.978 1.00 0.00 H new ATOM 0 HG LEU A 47 115.318 13.770 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.008 14.449 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.494 12.979 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.404 12.859 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.883 14.877 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.273 13.289 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 47 114.985 13.709 4.450 1.00 0.00 H new ATOM 707 N ILE A 48 115.835 9.421 4.547 1.00 0.00 N ATOM 708 CA ILE A 48 116.151 7.972 4.703 1.00 0.00 C ATOM 709 C ILE A 48 114.866 7.142 4.613 1.00 0.00 C ATOM 710 O ILE A 48 113.822 7.532 5.093 1.00 0.00 O ATOM 711 CB ILE A 48 116.803 7.740 6.070 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.932 8.359 7.167 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.186 8.394 6.092 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.430 7.895 8.537 1.00 0.00 C ATOM 0 H ILE A 48 115.189 9.805 5.237 1.00 0.00 H new ATOM 0 HA ILE A 48 116.832 7.668 3.908 1.00 0.00 H new ATOM 0 HB ILE A 48 116.901 6.669 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.968 9.447 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.891 8.066 7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.651 8.230 7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.809 7.954 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.085 9.465 5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.810 8.336 9.318 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.371 6.808 8.597 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.464 8.210 8.674 1.00 0.00 H new ATOM 726 N GLY A 49 114.944 5.991 3.998 1.00 0.00 N ATOM 727 CA GLY A 49 113.737 5.124 3.871 1.00 0.00 C ATOM 728 C GLY A 49 114.093 3.879 3.052 1.00 0.00 C ATOM 729 O GLY A 49 115.244 3.629 2.761 1.00 0.00 O ATOM 0 H GLY A 49 115.793 5.614 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.378 4.834 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.930 5.673 3.387 1.00 0.00 H new ATOM 733 N PHE A 50 113.117 3.094 2.678 1.00 0.00 N ATOM 734 CA PHE A 50 113.415 1.875 1.873 1.00 0.00 C ATOM 735 C PHE A 50 112.104 1.226 1.414 1.00 0.00 C ATOM 736 O PHE A 50 111.030 1.609 1.833 1.00 0.00 O ATOM 737 CB PHE A 50 114.214 0.880 2.713 1.00 0.00 C ATOM 738 CG PHE A 50 113.340 0.321 3.810 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.265 0.971 5.046 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.607 -0.851 3.587 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.456 0.449 6.063 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.798 -1.373 4.604 1.00 0.00 C ATOM 743 CZ PHE A 50 111.722 -0.722 5.841 1.00 0.00 C ATOM 0 H PHE A 50 112.131 3.244 2.894 1.00 0.00 H new ATOM 0 HA PHE A 50 114.003 2.159 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.584 0.072 2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.086 1.372 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.831 1.875 5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.665 -1.352 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.398 0.950 7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.233 -2.278 4.434 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.097 -1.124 6.625 1.00 0.00 H new ATOM 753 N LYS A 51 112.187 0.247 0.550 1.00 0.00 N ATOM 754 CA LYS A 51 110.947 -0.422 0.060 1.00 0.00 C ATOM 755 C LYS A 51 111.224 -1.905 -0.200 1.00 0.00 C ATOM 756 O LYS A 51 112.296 -2.285 -0.632 1.00 0.00 O ATOM 757 CB LYS A 51 110.492 0.252 -1.235 1.00 0.00 C ATOM 758 CG LYS A 51 109.259 -0.468 -1.786 1.00 0.00 C ATOM 759 CD LYS A 51 108.835 0.179 -3.107 1.00 0.00 C ATOM 760 CE LYS A 51 108.084 1.482 -2.823 1.00 0.00 C ATOM 761 NZ LYS A 51 107.493 2.000 -4.089 1.00 0.00 N ATOM 0 H LYS A 51 113.058 -0.117 0.164 1.00 0.00 H new ATOM 0 HA LYS A 51 110.164 -0.335 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.260 1.300 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.297 0.230 -1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.481 -1.524 -1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.443 -0.416 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 51 109.712 0.380 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 51 108.199 -0.504 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.299 1.309 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 51 108.763 2.221 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 107.026 2.911 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.245 2.132 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 106.795 1.319 -4.450 1.00 0.00 H new ATOM 775 N CYS A 52 110.259 -2.745 0.052 1.00 0.00 N ATOM 776 CA CYS A 52 110.437 -4.208 -0.182 1.00 0.00 C ATOM 777 C CYS A 52 109.311 -4.691 -1.106 1.00 0.00 C ATOM 778 O CYS A 52 108.239 -4.120 -1.123 1.00 0.00 O ATOM 779 CB CYS A 52 110.355 -4.945 1.162 1.00 0.00 C ATOM 780 SG CYS A 52 111.855 -4.630 2.129 1.00 0.00 S ATOM 0 H CYS A 52 109.344 -2.478 0.414 1.00 0.00 H new ATOM 0 HA CYS A 52 111.405 -4.406 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.478 -4.612 1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.238 -6.016 0.993 1.00 0.00 H new ATOM 785 N PRO A 53 109.543 -5.728 -1.870 1.00 0.00 N ATOM 786 CA PRO A 53 108.519 -6.272 -2.810 1.00 0.00 C ATOM 787 C PRO A 53 107.177 -6.526 -2.114 1.00 0.00 C ATOM 788 O PRO A 53 107.126 -6.880 -0.953 1.00 0.00 O ATOM 789 CB PRO A 53 109.129 -7.588 -3.321 1.00 0.00 C ATOM 790 CG PRO A 53 110.326 -7.853 -2.461 1.00 0.00 C ATOM 791 CD PRO A 53 110.789 -6.496 -1.932 1.00 0.00 C ATOM 0 HA PRO A 53 108.297 -5.570 -3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.410 -8.404 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.414 -7.504 -4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.073 -8.524 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.117 -8.336 -3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.259 -6.583 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.518 -6.031 -2.595 1.00 0.00 H new ATOM 799 N SER A 54 106.093 -6.327 -2.813 1.00 0.00 N ATOM 800 CA SER A 54 104.748 -6.533 -2.199 1.00 0.00 C ATOM 801 C SER A 54 104.506 -8.019 -1.917 1.00 0.00 C ATOM 802 O SER A 54 103.566 -8.381 -1.236 1.00 0.00 O ATOM 803 CB SER A 54 103.675 -6.022 -3.160 1.00 0.00 C ATOM 804 OG SER A 54 103.727 -4.603 -3.213 1.00 0.00 O ATOM 0 H SER A 54 106.080 -6.029 -3.788 1.00 0.00 H new ATOM 0 HA SER A 54 104.703 -5.986 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.832 -6.440 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.689 -6.349 -2.829 1.00 0.00 H new ATOM 0 HG SER A 54 103.041 -4.273 -3.830 1.00 0.00 H new ATOM 810 N ASN A 55 105.329 -8.885 -2.437 1.00 0.00 N ATOM 811 CA ASN A 55 105.120 -10.343 -2.196 1.00 0.00 C ATOM 812 C ASN A 55 105.900 -10.787 -0.954 1.00 0.00 C ATOM 813 O ASN A 55 105.889 -11.944 -0.588 1.00 0.00 O ATOM 814 CB ASN A 55 105.615 -11.133 -3.409 1.00 0.00 C ATOM 815 CG ASN A 55 104.846 -10.691 -4.656 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.632 -10.669 -4.660 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.510 -10.332 -5.721 1.00 0.00 N ATOM 0 H ASN A 55 106.135 -8.650 -3.016 1.00 0.00 H new ATOM 0 HA ASN A 55 104.058 -10.530 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.683 -10.970 -3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.475 -12.201 -3.242 1.00 0.00 H new ATOM 0 HD21 ASN A 55 105.009 -10.033 -6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.530 -10.351 -5.717 1.00 0.00 H new ATOM 824 N TYR A 56 106.582 -9.883 -0.302 1.00 0.00 N ATOM 825 CA TYR A 56 107.360 -10.259 0.911 1.00 0.00 C ATOM 826 C TYR A 56 106.727 -9.636 2.158 1.00 0.00 C ATOM 827 O TYR A 56 105.896 -8.755 2.072 1.00 0.00 O ATOM 828 CB TYR A 56 108.797 -9.766 0.757 1.00 0.00 C ATOM 829 CG TYR A 56 109.575 -10.736 -0.100 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.281 -10.862 -1.464 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.598 -11.506 0.469 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.005 -11.759 -2.257 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.322 -12.403 -0.325 1.00 0.00 C ATOM 834 CZ TYR A 56 111.025 -12.531 -1.687 1.00 0.00 C ATOM 835 OH TYR A 56 111.740 -13.415 -2.469 1.00 0.00 O ATOM 0 H TYR A 56 106.633 -8.897 -0.560 1.00 0.00 H new ATOM 0 HA TYR A 56 107.354 -11.343 1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.806 -8.775 0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.267 -9.672 1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.495 -10.266 -1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.828 -11.407 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.777 -11.856 -3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.110 -12.997 0.113 1.00 0.00 H new ATOM 0 HH TYR A 56 112.411 -13.870 -1.918 1.00 0.00 H new ATOM 845 N SER A 57 107.124 -10.084 3.320 1.00 0.00 N ATOM 846 CA SER A 57 106.556 -9.513 4.576 1.00 0.00 C ATOM 847 C SER A 57 107.586 -8.583 5.221 1.00 0.00 C ATOM 848 O SER A 57 108.740 -8.932 5.373 1.00 0.00 O ATOM 849 CB SER A 57 106.221 -10.650 5.547 1.00 0.00 C ATOM 850 OG SER A 57 105.791 -10.101 6.785 1.00 0.00 O ATOM 0 H SER A 57 107.817 -10.821 3.453 1.00 0.00 H new ATOM 0 HA SER A 57 105.650 -8.952 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.440 -11.284 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.096 -11.282 5.701 1.00 0.00 H new ATOM 0 HG SER A 57 105.575 -10.827 7.407 1.00 0.00 H new ATOM 856 N VAL A 58 107.187 -7.397 5.595 1.00 0.00 N ATOM 857 CA VAL A 58 108.161 -6.455 6.218 1.00 0.00 C ATOM 858 C VAL A 58 108.194 -6.656 7.739 1.00 0.00 C ATOM 859 O VAL A 58 107.203 -6.503 8.423 1.00 0.00 O ATOM 860 CB VAL A 58 107.761 -5.013 5.898 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.344 -4.912 4.431 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.592 -4.588 6.789 1.00 0.00 C ATOM 0 H VAL A 58 106.236 -7.042 5.497 1.00 0.00 H new ATOM 0 HA VAL A 58 109.153 -6.655 5.813 1.00 0.00 H new ATOM 0 HB VAL A 58 108.611 -4.357 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.059 -3.885 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.178 -5.207 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.497 -5.573 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.312 -3.561 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.741 -5.245 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.889 -4.655 7.836 1.00 0.00 H new ATOM 872 N GLU A 59 109.345 -6.977 8.262 1.00 0.00 N ATOM 873 CA GLU A 59 109.492 -7.178 9.733 1.00 0.00 C ATOM 874 C GLU A 59 110.623 -6.275 10.223 1.00 0.00 C ATOM 875 O GLU A 59 111.702 -6.286 9.667 1.00 0.00 O ATOM 876 CB GLU A 59 109.861 -8.642 10.019 1.00 0.00 C ATOM 877 CG GLU A 59 108.604 -9.517 9.999 1.00 0.00 C ATOM 878 CD GLU A 59 108.967 -10.928 9.531 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.727 -11.039 8.582 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.483 -11.873 10.132 1.00 0.00 O ATOM 0 H GLU A 59 110.202 -7.111 7.726 1.00 0.00 H new ATOM 0 HA GLU A 59 108.558 -6.938 10.241 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.573 -8.998 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.351 -8.718 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.160 -9.556 10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.857 -9.083 9.334 1.00 0.00 H new ATOM 887 N PRO A 60 110.394 -5.495 11.249 1.00 0.00 N ATOM 888 CA PRO A 60 111.440 -4.586 11.787 1.00 0.00 C ATOM 889 C PRO A 60 112.461 -5.331 12.652 1.00 0.00 C ATOM 890 O PRO A 60 112.143 -5.832 13.709 1.00 0.00 O ATOM 891 CB PRO A 60 110.646 -3.599 12.639 1.00 0.00 C ATOM 892 CG PRO A 60 109.457 -4.369 13.107 1.00 0.00 C ATOM 893 CD PRO A 60 109.133 -5.382 12.005 1.00 0.00 C ATOM 0 HA PRO A 60 112.021 -4.115 10.994 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.238 -3.236 13.479 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.348 -2.726 12.059 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.669 -4.875 14.049 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.611 -3.706 13.285 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.829 -6.342 12.421 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.316 -5.036 11.371 1.00 0.00 H new ATOM 901 N HIS A 61 113.689 -5.392 12.218 1.00 0.00 N ATOM 902 CA HIS A 61 114.727 -6.085 13.028 1.00 0.00 C ATOM 903 C HIS A 61 115.410 -5.044 13.913 1.00 0.00 C ATOM 904 O HIS A 61 115.937 -5.347 14.966 1.00 0.00 O ATOM 905 CB HIS A 61 115.755 -6.741 12.105 1.00 0.00 C ATOM 906 CG HIS A 61 116.494 -7.811 12.861 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.098 -7.567 14.086 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.734 -9.134 12.580 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.668 -8.716 14.494 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.474 -9.700 13.613 1.00 0.00 N ATOM 0 H HIS A 61 114.018 -4.992 11.339 1.00 0.00 H new ATOM 0 HA HIS A 61 114.271 -6.861 13.643 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.257 -7.172 11.236 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.455 -5.993 11.733 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.108 -6.678 14.586 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.400 -9.654 11.694 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.214 -8.828 15.419 1.00 0.00 H new ATOM 919 N ASP A 62 115.387 -3.812 13.489 1.00 0.00 N ATOM 920 CA ASP A 62 116.007 -2.717 14.283 1.00 0.00 C ATOM 921 C ASP A 62 115.632 -1.380 13.639 1.00 0.00 C ATOM 922 O ASP A 62 116.439 -0.481 13.531 1.00 0.00 O ATOM 923 CB ASP A 62 117.529 -2.883 14.294 1.00 0.00 C ATOM 924 CG ASP A 62 118.155 -1.785 15.157 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.426 -0.904 15.579 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.354 -1.845 15.379 1.00 0.00 O ATOM 0 H ASP A 62 114.958 -3.514 12.613 1.00 0.00 H new ATOM 0 HA ASP A 62 115.646 -2.749 15.311 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.796 -3.865 14.685 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.919 -2.828 13.278 1.00 0.00 H new ATOM 931 N CYS A 63 114.406 -1.257 13.200 1.00 0.00 N ATOM 932 CA CYS A 63 113.957 0.008 12.548 1.00 0.00 C ATOM 933 C CYS A 63 114.017 1.162 13.555 1.00 0.00 C ATOM 934 O CYS A 63 114.813 1.149 14.475 1.00 0.00 O ATOM 935 CB CYS A 63 112.525 -0.167 12.036 1.00 0.00 C ATOM 936 SG CYS A 63 112.490 -1.472 10.779 1.00 0.00 S ATOM 0 H CYS A 63 113.693 -1.983 13.266 1.00 0.00 H new ATOM 0 HA CYS A 63 114.614 0.239 11.710 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.861 -0.424 12.861 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.161 0.770 11.614 1.00 0.00 H new ATOM 941 N PHE A 64 113.198 2.173 13.388 1.00 0.00 N ATOM 942 CA PHE A 64 113.242 3.325 14.339 1.00 0.00 C ATOM 943 C PHE A 64 111.974 3.376 15.208 1.00 0.00 C ATOM 944 O PHE A 64 112.053 3.325 16.419 1.00 0.00 O ATOM 945 CB PHE A 64 113.391 4.632 13.557 1.00 0.00 C ATOM 946 CG PHE A 64 112.543 4.587 12.309 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.015 3.930 11.165 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.288 5.208 12.293 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.230 3.894 10.006 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.504 5.171 11.134 1.00 0.00 C ATOM 951 CZ PHE A 64 110.975 4.514 9.991 1.00 0.00 C ATOM 0 H PHE A 64 112.508 2.249 12.641 1.00 0.00 H new ATOM 0 HA PHE A 64 114.099 3.193 14.999 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.091 5.474 14.180 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.436 4.789 13.291 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.983 3.452 11.177 1.00 0.00 H new ATOM 0 HD2 PHE A 64 110.925 5.715 13.175 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.593 3.388 9.124 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.536 5.649 11.122 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.370 4.485 9.097 1.00 0.00 H new ATOM 961 N VAL A 65 110.805 3.485 14.622 1.00 0.00 N ATOM 962 CA VAL A 65 109.572 3.545 15.465 1.00 0.00 C ATOM 963 C VAL A 65 109.650 2.455 16.535 1.00 0.00 C ATOM 964 O VAL A 65 109.831 2.730 17.704 1.00 0.00 O ATOM 965 CB VAL A 65 108.326 3.319 14.598 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.132 2.994 15.500 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.022 4.588 13.798 1.00 0.00 C ATOM 0 H VAL A 65 110.653 3.534 13.615 1.00 0.00 H new ATOM 0 HA VAL A 65 109.502 4.527 15.933 1.00 0.00 H new ATOM 0 HB VAL A 65 108.507 2.490 13.913 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.246 2.833 14.886 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.345 2.092 16.074 1.00 0.00 H new ATOM 0 HG13 VAL A 65 106.955 3.825 16.183 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.137 4.427 13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.841 5.416 14.484 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.871 4.826 13.157 1.00 0.00 H new ATOM 977 N SER A 66 109.528 1.220 16.138 1.00 0.00 N ATOM 978 CA SER A 66 109.612 0.100 17.118 1.00 0.00 C ATOM 979 C SER A 66 110.394 -1.042 16.471 1.00 0.00 C ATOM 980 O SER A 66 110.124 -1.428 15.351 1.00 0.00 O ATOM 981 CB SER A 66 108.204 -0.378 17.481 1.00 0.00 C ATOM 982 OG SER A 66 108.297 -1.402 18.464 1.00 0.00 O ATOM 0 H SER A 66 109.373 0.936 15.171 1.00 0.00 H new ATOM 0 HA SER A 66 110.113 0.432 18.027 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.611 0.454 17.860 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.695 -0.754 16.594 1.00 0.00 H new ATOM 0 HG SER A 66 107.398 -1.710 18.701 1.00 0.00 H new ATOM 988 N ALA A 67 111.370 -1.581 17.149 1.00 0.00 N ATOM 989 CA ALA A 67 112.158 -2.684 16.532 1.00 0.00 C ATOM 990 C ALA A 67 113.116 -3.296 17.559 1.00 0.00 C ATOM 991 O ALA A 67 113.193 -2.860 18.693 1.00 0.00 O ATOM 992 CB ALA A 67 112.969 -2.122 15.364 1.00 0.00 C ATOM 0 H ALA A 67 111.653 -1.310 18.091 1.00 0.00 H new ATOM 0 HA ALA A 67 111.474 -3.457 16.182 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.550 -2.923 14.906 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.293 -1.695 14.624 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.644 -1.348 15.729 1.00 0.00 H new ATOM 998 N PHE A 68 113.854 -4.303 17.160 1.00 0.00 N ATOM 999 CA PHE A 68 114.807 -4.950 18.098 1.00 0.00 C ATOM 1000 C PHE A 68 116.177 -4.285 17.930 1.00 0.00 C ATOM 1001 O PHE A 68 116.714 -4.215 16.842 1.00 0.00 O ATOM 1002 CB PHE A 68 114.927 -6.440 17.757 1.00 0.00 C ATOM 1003 CG PHE A 68 113.553 -7.033 17.535 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.863 -6.765 16.345 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.976 -7.859 18.507 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.596 -7.322 16.131 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.709 -8.415 18.293 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.018 -8.145 17.106 1.00 0.00 C ATOM 0 H PHE A 68 113.833 -4.702 16.221 1.00 0.00 H new ATOM 0 HA PHE A 68 114.455 -4.841 19.124 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.536 -6.569 16.862 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.433 -6.967 18.566 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.308 -6.129 15.594 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.509 -8.068 19.423 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.064 -7.117 15.214 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.265 -9.052 19.044 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.039 -8.571 16.942 1.00 0.00 H new ATOM 1018 N ASN A 69 116.747 -3.786 18.993 1.00 0.00 N ATOM 1019 CA ASN A 69 118.074 -3.116 18.879 1.00 0.00 C ATOM 1020 C ASN A 69 119.154 -4.156 18.570 1.00 0.00 C ATOM 1021 O ASN A 69 118.873 -5.324 18.390 1.00 0.00 O ATOM 1022 CB ASN A 69 118.408 -2.413 20.195 1.00 0.00 C ATOM 1023 CG ASN A 69 117.480 -1.211 20.381 1.00 0.00 C ATOM 1024 OD1 ASN A 69 116.911 -0.716 19.428 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.304 -0.717 21.576 1.00 0.00 N ATOM 0 H ASN A 69 116.352 -3.813 19.933 1.00 0.00 H new ATOM 0 HA ASN A 69 118.037 -2.383 18.073 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.295 -3.106 21.029 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.448 -2.086 20.191 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.688 0.085 21.711 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.782 -1.133 22.375 1.00 0.00 H new ATOM 1032 N LEU A 70 120.390 -3.738 18.511 1.00 0.00 N ATOM 1033 CA LEU A 70 121.489 -4.700 18.215 1.00 0.00 C ATOM 1034 C LEU A 70 121.562 -5.736 19.339 1.00 0.00 C ATOM 1035 O LEU A 70 122.073 -6.824 19.163 1.00 0.00 O ATOM 1036 CB LEU A 70 122.818 -3.942 18.120 1.00 0.00 C ATOM 1037 CG LEU A 70 122.814 -3.054 16.873 1.00 0.00 C ATOM 1038 CD1 LEU A 70 123.773 -1.880 17.080 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.271 -3.869 15.658 1.00 0.00 C ATOM 0 H LEU A 70 120.685 -2.772 18.655 1.00 0.00 H new ATOM 0 HA LEU A 70 121.296 -5.204 17.268 1.00 0.00 H new ATOM 0 HB2 LEU A 70 122.966 -3.333 19.012 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.648 -4.647 18.074 1.00 0.00 H new ATOM 0 HG LEU A 70 121.805 -2.679 16.702 1.00 0.00 H new ATOM 0 HD11 LEU A 70 123.771 -1.247 16.192 1.00 0.00 H new ATOM 0 HD12 LEU A 70 123.452 -1.296 17.943 1.00 0.00 H new ATOM 0 HD13 LEU A 70 124.780 -2.259 17.253 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.267 -3.234 14.772 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.279 -4.245 15.831 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.592 -4.708 15.506 1.00 0.00 H new ATOM 1051 N SER A 71 121.044 -5.407 20.492 1.00 0.00 N ATOM 1052 CA SER A 71 121.071 -6.372 21.626 1.00 0.00 C ATOM 1053 C SER A 71 119.917 -7.357 21.463 1.00 0.00 C ATOM 1054 O SER A 71 119.781 -8.307 22.208 1.00 0.00 O ATOM 1055 CB SER A 71 120.913 -5.614 22.946 1.00 0.00 C ATOM 1056 OG SER A 71 122.034 -4.761 23.135 1.00 0.00 O ATOM 0 H SER A 71 120.603 -4.510 20.696 1.00 0.00 H new ATOM 0 HA SER A 71 122.019 -6.910 21.632 1.00 0.00 H new ATOM 0 HB2 SER A 71 119.994 -5.028 22.935 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.833 -6.317 23.775 1.00 0.00 H new ATOM 0 HG SER A 71 121.935 -4.273 23.979 1.00 0.00 H new ATOM 1062 N GLY A 72 119.077 -7.131 20.488 1.00 0.00 N ATOM 1063 CA GLY A 72 117.924 -8.045 20.263 1.00 0.00 C ATOM 1064 C GLY A 72 116.793 -7.684 21.226 1.00 0.00 C ATOM 1065 O GLY A 72 115.909 -8.476 21.487 1.00 0.00 O ATOM 0 H GLY A 72 119.142 -6.349 19.836 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.578 -7.965 19.232 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.231 -9.080 20.417 1.00 0.00 H new ATOM 1069 N LYS A 73 116.811 -6.490 21.755 1.00 0.00 N ATOM 1070 CA LYS A 73 115.736 -6.073 22.701 1.00 0.00 C ATOM 1071 C LYS A 73 114.785 -5.106 21.988 1.00 0.00 C ATOM 1072 O LYS A 73 115.203 -4.277 21.205 1.00 0.00 O ATOM 1073 CB LYS A 73 116.367 -5.377 23.912 1.00 0.00 C ATOM 1074 CG LYS A 73 117.187 -6.389 24.718 1.00 0.00 C ATOM 1075 CD LYS A 73 117.822 -5.692 25.924 1.00 0.00 C ATOM 1076 CE LYS A 73 118.564 -6.722 26.779 1.00 0.00 C ATOM 1077 NZ LYS A 73 119.671 -7.324 25.985 1.00 0.00 N ATOM 0 H LYS A 73 117.525 -5.785 21.573 1.00 0.00 H new ATOM 0 HA LYS A 73 115.180 -6.948 23.037 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.005 -4.558 23.581 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.589 -4.942 24.540 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.548 -7.206 25.053 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.962 -6.827 24.089 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.512 -4.918 25.588 1.00 0.00 H new ATOM 0 HD3 LYS A 73 117.053 -5.197 26.518 1.00 0.00 H new ATOM 0 HE2 LYS A 73 118.962 -6.247 27.675 1.00 0.00 H new ATOM 0 HE3 LYS A 73 117.875 -7.499 27.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 120.227 -7.961 26.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 119.274 -7.863 25.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 120.286 -6.569 25.619 1.00 0.00 H new ATOM 1091 N ASN A 74 113.507 -5.208 22.246 1.00 0.00 N ATOM 1092 CA ASN A 74 112.537 -4.298 21.569 1.00 0.00 C ATOM 1093 C ASN A 74 112.453 -2.968 22.325 1.00 0.00 C ATOM 1094 O ASN A 74 111.980 -2.905 23.443 1.00 0.00 O ATOM 1095 CB ASN A 74 111.155 -4.956 21.538 1.00 0.00 C ATOM 1096 CG ASN A 74 110.301 -4.298 20.452 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.796 -3.964 19.394 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.030 -4.094 20.670 1.00 0.00 N ATOM 0 H ASN A 74 113.095 -5.879 22.894 1.00 0.00 H new ATOM 0 HA ASN A 74 112.875 -4.109 20.550 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.253 -6.024 21.341 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.670 -4.854 22.509 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.454 -3.655 19.952 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.613 -4.374 21.558 1.00 0.00 H new ATOM 1105 N GLU A 75 112.909 -1.902 21.718 1.00 0.00 N ATOM 1106 CA GLU A 75 112.856 -0.573 22.391 1.00 0.00 C ATOM 1107 C GLU A 75 112.668 0.533 21.343 1.00 0.00 C ATOM 1108 O GLU A 75 113.311 0.537 20.313 1.00 0.00 O ATOM 1109 CB GLU A 75 114.172 -0.337 23.147 1.00 0.00 C ATOM 1110 CG GLU A 75 114.100 0.988 23.909 1.00 0.00 C ATOM 1111 CD GLU A 75 113.103 0.862 25.062 1.00 0.00 C ATOM 1112 OE1 GLU A 75 112.614 -0.234 25.280 1.00 0.00 O ATOM 1113 OE2 GLU A 75 112.849 1.864 25.713 1.00 0.00 O ATOM 0 H GLU A 75 113.316 -1.897 20.783 1.00 0.00 H new ATOM 0 HA GLU A 75 112.019 -0.554 23.089 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.356 -1.157 23.841 1.00 0.00 H new ATOM 0 HB3 GLU A 75 115.007 -0.320 22.446 1.00 0.00 H new ATOM 0 HG2 GLU A 75 115.085 1.252 24.294 1.00 0.00 H new ATOM 0 HG3 GLU A 75 113.795 1.790 23.237 1.00 0.00 H new ATOM 1120 N ASN A 76 111.809 1.467 21.613 1.00 0.00 N ATOM 1121 CA ASN A 76 111.575 2.572 20.628 1.00 0.00 C ATOM 1122 C ASN A 76 112.899 3.296 20.364 1.00 0.00 C ATOM 1123 O ASN A 76 113.724 3.433 21.245 1.00 0.00 O ATOM 1124 CB ASN A 76 110.553 3.566 21.204 1.00 0.00 C ATOM 1125 CG ASN A 76 109.148 2.959 21.136 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.991 1.756 21.210 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.115 3.744 21.000 1.00 0.00 N ATOM 0 H ASN A 76 111.256 1.521 22.468 1.00 0.00 H new ATOM 0 HA ASN A 76 111.189 2.158 19.696 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.807 3.806 22.237 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.584 4.500 20.643 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.176 3.348 20.956 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.246 4.754 20.938 1.00 0.00 H new ATOM 1134 N LEU A 77 113.116 3.748 19.158 1.00 0.00 N ATOM 1135 CA LEU A 77 114.391 4.458 18.836 1.00 0.00 C ATOM 1136 C LEU A 77 114.172 5.977 18.915 1.00 0.00 C ATOM 1137 O LEU A 77 115.033 6.754 18.550 1.00 0.00 O ATOM 1138 CB LEU A 77 114.839 4.083 17.420 1.00 0.00 C ATOM 1139 CG LEU A 77 116.333 4.374 17.245 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.150 3.470 18.172 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.734 4.102 15.792 1.00 0.00 C ATOM 0 H LEU A 77 112.464 3.657 18.379 1.00 0.00 H new ATOM 0 HA LEU A 77 115.158 4.165 19.553 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.642 3.027 17.236 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.263 4.647 16.687 1.00 0.00 H new ATOM 0 HG LEU A 77 116.529 5.417 17.494 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.212 3.681 18.043 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.865 3.658 19.207 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.955 2.426 17.926 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.797 4.308 15.663 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.535 3.058 15.549 1.00 0.00 H new ATOM 0 HD23 LEU A 77 116.157 4.746 15.129 1.00 0.00 H new ATOM 1153 N GLU A 78 113.025 6.408 19.374 1.00 0.00 N ATOM 1154 CA GLU A 78 112.764 7.873 19.455 1.00 0.00 C ATOM 1155 C GLU A 78 113.635 8.498 20.547 1.00 0.00 C ATOM 1156 O GLU A 78 114.148 9.586 20.393 1.00 0.00 O ATOM 1157 CB GLU A 78 111.283 8.114 19.765 1.00 0.00 C ATOM 1158 CG GLU A 78 110.896 7.398 21.061 1.00 0.00 C ATOM 1159 CD GLU A 78 111.014 8.371 22.237 1.00 0.00 C ATOM 1160 OE1 GLU A 78 111.818 9.284 22.142 1.00 0.00 O ATOM 1161 OE2 GLU A 78 110.297 8.190 23.206 1.00 0.00 O ATOM 0 H GLU A 78 112.263 5.811 19.694 1.00 0.00 H new ATOM 0 HA GLU A 78 113.011 8.336 18.499 1.00 0.00 H new ATOM 0 HB2 GLU A 78 111.092 9.183 19.860 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.667 7.752 18.942 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.876 7.020 20.989 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.545 6.537 21.221 1.00 0.00 H new ATOM 1168 N ASN A 79 113.811 7.816 21.646 1.00 0.00 N ATOM 1169 CA ASN A 79 114.659 8.380 22.735 1.00 0.00 C ATOM 1170 C ASN A 79 116.084 8.583 22.209 1.00 0.00 C ATOM 1171 O ASN A 79 116.787 9.483 22.624 1.00 0.00 O ATOM 1172 CB ASN A 79 114.683 7.410 23.920 1.00 0.00 C ATOM 1173 CG ASN A 79 115.274 6.073 23.470 1.00 0.00 C ATOM 1174 OD1 ASN A 79 115.517 5.867 22.298 1.00 0.00 O ATOM 1175 ND2 ASN A 79 115.519 5.148 24.359 1.00 0.00 N ATOM 0 H ASN A 79 113.407 6.899 21.837 1.00 0.00 H new ATOM 0 HA ASN A 79 114.249 9.336 23.061 1.00 0.00 H new ATOM 0 HB2 ASN A 79 115.276 7.827 24.734 1.00 0.00 H new ATOM 0 HB3 ASN A 79 113.674 7.263 24.304 1.00 0.00 H new ATOM 0 HD21 ASN A 79 115.914 4.254 24.069 1.00 0.00 H new ATOM 0 HD22 ASN A 79 115.315 5.320 25.344 1.00 0.00 H new ATOM 1182 N LYS A 80 116.510 7.754 21.291 1.00 0.00 N ATOM 1183 CA LYS A 80 117.877 7.903 20.720 1.00 0.00 C ATOM 1184 C LYS A 80 117.898 9.091 19.755 1.00 0.00 C ATOM 1185 O LYS A 80 118.767 9.938 19.810 1.00 0.00 O ATOM 1186 CB LYS A 80 118.250 6.622 19.968 1.00 0.00 C ATOM 1187 CG LYS A 80 119.649 6.765 19.364 1.00 0.00 C ATOM 1188 CD LYS A 80 120.007 5.493 18.589 1.00 0.00 C ATOM 1189 CE LYS A 80 120.408 4.390 19.571 1.00 0.00 C ATOM 1190 NZ LYS A 80 120.996 3.244 18.820 1.00 0.00 N ATOM 0 H LYS A 80 115.966 6.978 20.913 1.00 0.00 H new ATOM 0 HA LYS A 80 118.595 8.077 21.522 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.222 5.770 20.647 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.522 6.426 19.181 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.683 7.629 18.700 1.00 0.00 H new ATOM 0 HG3 LYS A 80 120.380 6.940 20.153 1.00 0.00 H new ATOM 0 HD2 LYS A 80 119.156 5.169 17.990 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.826 5.694 17.898 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.130 4.775 20.291 1.00 0.00 H new ATOM 0 HE3 LYS A 80 119.538 4.059 20.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 121.268 2.495 19.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 120.294 2.872 18.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.836 3.565 18.299 1.00 0.00 H new ATOM 1204 N LEU A 81 116.941 9.154 18.866 1.00 0.00 N ATOM 1205 CA LEU A 81 116.893 10.277 17.890 1.00 0.00 C ATOM 1206 C LEU A 81 115.451 10.776 17.767 1.00 0.00 C ATOM 1207 O LEU A 81 114.541 10.008 17.525 1.00 0.00 O ATOM 1208 CB LEU A 81 117.374 9.777 16.525 1.00 0.00 C ATOM 1209 CG LEU A 81 117.513 10.951 15.554 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.662 11.859 16.002 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.804 10.416 14.150 1.00 0.00 C ATOM 0 H LEU A 81 116.188 8.472 18.776 1.00 0.00 H new ATOM 0 HA LEU A 81 117.534 11.090 18.230 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.332 9.268 16.632 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.669 9.047 16.127 1.00 0.00 H new ATOM 0 HG LEU A 81 116.585 11.523 15.543 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.758 12.694 15.308 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.456 12.240 17.002 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.592 11.290 16.015 1.00 0.00 H new ATOM 0 HD21 LEU A 81 117.904 11.251 13.456 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.731 9.843 14.164 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.985 9.773 13.829 1.00 0.00 H new ATOM 1223 N LYS A 82 115.231 12.051 17.933 1.00 0.00 N ATOM 1224 CA LYS A 82 113.843 12.585 17.817 1.00 0.00 C ATOM 1225 C LYS A 82 113.442 12.624 16.338 1.00 0.00 C ATOM 1226 O LYS A 82 113.585 13.630 15.670 1.00 0.00 O ATOM 1227 CB LYS A 82 113.788 13.998 18.402 1.00 0.00 C ATOM 1228 CG LYS A 82 112.344 14.505 18.377 1.00 0.00 C ATOM 1229 CD LYS A 82 112.277 15.896 19.009 1.00 0.00 C ATOM 1230 CE LYS A 82 110.829 16.394 18.995 1.00 0.00 C ATOM 1231 NZ LYS A 82 109.985 15.491 19.826 1.00 0.00 N ATOM 0 H LYS A 82 115.949 12.745 18.143 1.00 0.00 H new ATOM 0 HA LYS A 82 113.155 11.942 18.366 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.166 13.995 19.424 1.00 0.00 H new ATOM 0 HB3 LYS A 82 114.429 14.666 17.827 1.00 0.00 H new ATOM 0 HG2 LYS A 82 111.979 14.543 17.351 1.00 0.00 H new ATOM 0 HG3 LYS A 82 111.697 13.816 18.920 1.00 0.00 H new ATOM 0 HD2 LYS A 82 112.651 15.861 20.032 1.00 0.00 H new ATOM 0 HD3 LYS A 82 112.916 16.588 18.460 1.00 0.00 H new ATOM 0 HE2 LYS A 82 110.780 17.412 19.381 1.00 0.00 H new ATOM 0 HE3 LYS A 82 110.453 16.422 17.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 109.112 15.985 20.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 109.745 14.640 19.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 110.509 15.217 20.682 1.00 0.00 H new ATOM 1245 N LEU A 83 112.947 11.531 15.821 1.00 0.00 N ATOM 1246 CA LEU A 83 112.547 11.494 14.382 1.00 0.00 C ATOM 1247 C LEU A 83 111.197 12.195 14.197 1.00 0.00 C ATOM 1248 O LEU A 83 110.286 12.027 14.980 1.00 0.00 O ATOM 1249 CB LEU A 83 112.427 10.037 13.929 1.00 0.00 C ATOM 1250 CG LEU A 83 113.821 9.417 13.806 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.698 7.892 13.779 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.481 9.892 12.508 1.00 0.00 C ATOM 0 H LEU A 83 112.802 10.661 16.333 1.00 0.00 H new ATOM 0 HA LEU A 83 113.302 12.007 13.786 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.829 9.472 14.644 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.910 9.986 12.971 1.00 0.00 H new ATOM 0 HG LEU A 83 114.429 9.722 14.658 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.690 7.448 13.691 1.00 0.00 H new ATOM 0 HD12 LEU A 83 113.227 7.549 14.700 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.089 7.591 12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.474 9.450 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.872 9.586 11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.568 10.978 12.520 1.00 0.00 H new ATOM 1264 N THR A 84 111.068 12.975 13.153 1.00 0.00 N ATOM 1265 CA THR A 84 109.783 13.692 12.909 1.00 0.00 C ATOM 1266 C THR A 84 109.293 13.385 11.491 1.00 0.00 C ATOM 1267 O THR A 84 110.024 12.861 10.675 1.00 0.00 O ATOM 1268 CB THR A 84 110.008 15.203 13.050 1.00 0.00 C ATOM 1269 OG1 THR A 84 110.838 15.657 11.989 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.683 15.502 14.390 1.00 0.00 C ATOM 0 H THR A 84 111.797 13.145 12.461 1.00 0.00 H new ATOM 0 HA THR A 84 109.039 13.363 13.634 1.00 0.00 H new ATOM 0 HB THR A 84 109.048 15.717 13.009 1.00 0.00 H new ATOM 0 HG1 THR A 84 110.982 16.622 12.076 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.841 16.576 14.486 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.046 15.155 15.204 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.643 14.988 14.436 1.00 0.00 H new ATOM 1278 N ASN A 85 108.060 13.703 11.193 1.00 0.00 N ATOM 1279 CA ASN A 85 107.533 13.432 9.826 1.00 0.00 C ATOM 1280 C ASN A 85 107.711 11.949 9.493 1.00 0.00 C ATOM 1281 O ASN A 85 108.240 11.593 8.458 1.00 0.00 O ATOM 1282 CB ASN A 85 108.295 14.280 8.805 1.00 0.00 C ATOM 1283 CG ASN A 85 108.016 15.763 9.061 1.00 0.00 C ATOM 1284 OD1 ASN A 85 106.948 16.122 9.516 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.937 16.644 8.787 1.00 0.00 N ATOM 0 H ASN A 85 107.398 14.137 11.836 1.00 0.00 H new ATOM 0 HA ASN A 85 106.474 13.687 9.790 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.364 14.083 8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.990 14.011 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.761 17.635 8.955 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.834 16.343 8.405 1.00 0.00 H new ATOM 1292 N ILE A 86 107.283 11.084 10.368 1.00 0.00 N ATOM 1293 CA ILE A 86 107.430 9.621 10.116 1.00 0.00 C ATOM 1294 C ILE A 86 106.326 9.136 9.168 1.00 0.00 C ATOM 1295 O ILE A 86 105.158 9.410 9.363 1.00 0.00 O ATOM 1296 CB ILE A 86 107.337 8.874 11.447 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.523 9.271 12.331 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.369 7.366 11.195 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.315 8.726 13.745 1.00 0.00 C ATOM 0 H ILE A 86 106.835 11.327 11.252 1.00 0.00 H new ATOM 0 HA ILE A 86 108.397 9.427 9.652 1.00 0.00 H new ATOM 0 HB ILE A 86 106.404 9.134 11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.449 8.878 11.912 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.621 10.356 12.360 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.303 6.837 12.146 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.526 7.085 10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.301 7.100 10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.160 9.010 14.372 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.398 9.140 14.163 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.239 7.639 13.709 1.00 0.00 H new ATOM 1311 N ILE A 87 106.694 8.409 8.140 1.00 0.00 N ATOM 1312 CA ILE A 87 105.681 7.891 7.172 1.00 0.00 C ATOM 1313 C ILE A 87 105.751 6.360 7.140 1.00 0.00 C ATOM 1314 O ILE A 87 106.776 5.786 6.824 1.00 0.00 O ATOM 1315 CB ILE A 87 105.993 8.432 5.772 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.956 9.965 5.780 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.965 7.898 4.774 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.600 10.450 6.300 1.00 0.00 C ATOM 0 H ILE A 87 107.659 8.152 7.931 1.00 0.00 H new ATOM 0 HA ILE A 87 104.686 8.212 7.479 1.00 0.00 H new ATOM 0 HB ILE A 87 106.989 8.103 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.757 10.354 6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.127 10.347 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.189 8.284 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 87 105.005 6.809 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.967 8.220 5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.580 11.540 6.303 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.807 10.075 5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.446 10.081 7.314 1.00 0.00 H new ATOM 1330 N MET A 88 104.674 5.688 7.464 1.00 0.00 N ATOM 1331 CA MET A 88 104.703 4.191 7.447 1.00 0.00 C ATOM 1332 C MET A 88 103.617 3.656 6.503 1.00 0.00 C ATOM 1333 O MET A 88 102.444 3.654 6.826 1.00 0.00 O ATOM 1334 CB MET A 88 104.453 3.656 8.860 1.00 0.00 C ATOM 1335 CG MET A 88 105.461 4.276 9.829 1.00 0.00 C ATOM 1336 SD MET A 88 105.132 3.686 11.508 1.00 0.00 S ATOM 1337 CE MET A 88 105.784 2.009 11.299 1.00 0.00 C ATOM 0 H MET A 88 103.784 6.105 7.737 1.00 0.00 H new ATOM 0 HA MET A 88 105.680 3.859 7.097 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.437 3.893 9.175 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.544 2.570 8.870 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.476 4.011 9.532 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.392 5.363 9.795 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.027 1.589 12.275 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.034 1.385 10.812 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.683 2.042 10.684 1.00 0.00 H new ATOM 1347 N ASP A 89 104.002 3.193 5.341 1.00 0.00 N ATOM 1348 CA ASP A 89 103.001 2.646 4.376 1.00 0.00 C ATOM 1349 C ASP A 89 103.162 1.125 4.307 1.00 0.00 C ATOM 1350 O ASP A 89 104.038 0.613 3.634 1.00 0.00 O ATOM 1351 CB ASP A 89 103.245 3.251 2.993 1.00 0.00 C ATOM 1352 CG ASP A 89 102.080 2.899 2.067 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.299 2.035 2.433 1.00 0.00 O ATOM 1354 OD2 ASP A 89 101.988 3.498 1.008 1.00 0.00 O ATOM 0 H ASP A 89 104.969 3.170 5.018 1.00 0.00 H new ATOM 0 HA ASP A 89 101.992 2.896 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 89 103.347 4.333 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 89 104.179 2.872 2.579 1.00 0.00 H new ATOM 1359 N HIS A 90 102.335 0.394 5.001 1.00 0.00 N ATOM 1360 CA HIS A 90 102.449 -1.093 4.984 1.00 0.00 C ATOM 1361 C HIS A 90 101.975 -1.657 3.640 1.00 0.00 C ATOM 1362 O HIS A 90 102.521 -2.619 3.137 1.00 0.00 O ATOM 1363 CB HIS A 90 101.603 -1.681 6.113 1.00 0.00 C ATOM 1364 CG HIS A 90 102.175 -1.259 7.438 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.388 -1.746 7.909 1.00 0.00 N ATOM 1366 CD2 HIS A 90 101.714 -0.401 8.406 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.612 -1.181 9.110 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.623 -0.356 9.457 1.00 0.00 N ATOM 0 H HIS A 90 101.582 0.763 5.582 1.00 0.00 H new ATOM 0 HA HIS A 90 103.495 -1.365 5.125 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.571 -1.340 6.025 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.587 -2.769 6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 90 100.788 0.153 8.358 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.484 -1.372 9.717 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.549 0.193 10.314 1.00 0.00 H new ATOM 1377 N TYR A 91 100.959 -1.080 3.058 1.00 0.00 N ATOM 1378 CA TYR A 91 100.460 -1.605 1.754 1.00 0.00 C ATOM 1379 C TYR A 91 101.575 -1.520 0.708 1.00 0.00 C ATOM 1380 O TYR A 91 101.819 -2.455 -0.028 1.00 0.00 O ATOM 1381 CB TYR A 91 99.258 -0.783 1.290 1.00 0.00 C ATOM 1382 CG TYR A 91 98.820 -1.267 -0.073 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.070 -2.444 -0.190 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.168 -0.541 -1.218 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.667 -2.894 -1.453 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.766 -0.991 -2.481 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.016 -2.168 -2.599 1.00 0.00 C ATOM 1388 OH TYR A 91 97.620 -2.612 -3.844 1.00 0.00 O ATOM 0 H TYR A 91 100.455 -0.273 3.426 1.00 0.00 H new ATOM 0 HA TYR A 91 100.156 -2.644 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.440 -0.879 2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.520 0.274 1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.803 -3.004 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.747 0.366 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.087 -3.801 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 91 99.034 -0.431 -3.364 1.00 0.00 H new ATOM 0 HH TYR A 91 97.944 -1.992 -4.531 1.00 0.00 H new ATOM 1398 N ASN A 92 102.257 -0.409 0.638 1.00 0.00 N ATOM 1399 CA ASN A 92 103.359 -0.276 -0.356 1.00 0.00 C ATOM 1400 C ASN A 92 104.657 -0.800 0.261 1.00 0.00 C ATOM 1401 O ASN A 92 105.678 -0.888 -0.392 1.00 0.00 O ATOM 1402 CB ASN A 92 103.526 1.193 -0.748 1.00 0.00 C ATOM 1403 CG ASN A 92 102.399 1.599 -1.699 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.750 0.756 -2.286 1.00 0.00 O ATOM 1405 ND2 ASN A 92 102.136 2.865 -1.879 1.00 0.00 N ATOM 0 H ASN A 92 102.099 0.410 1.225 1.00 0.00 H new ATOM 0 HA ASN A 92 103.120 -0.855 -1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.509 1.822 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.493 1.345 -1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.387 3.145 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.680 3.574 -1.387 1.00 0.00 H new ATOM 1412 N ASN A 93 104.616 -1.162 1.517 1.00 0.00 N ATOM 1413 CA ASN A 93 105.834 -1.704 2.179 1.00 0.00 C ATOM 1414 C ASN A 93 106.999 -0.722 2.036 1.00 0.00 C ATOM 1415 O ASN A 93 108.100 -1.098 1.681 1.00 0.00 O ATOM 1416 CB ASN A 93 106.207 -3.042 1.535 1.00 0.00 C ATOM 1417 CG ASN A 93 105.167 -4.102 1.914 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.415 -3.924 2.851 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.096 -5.208 1.222 1.00 0.00 N ATOM 0 H ASN A 93 103.789 -1.105 2.112 1.00 0.00 H new ATOM 0 HA ASN A 93 105.628 -1.850 3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.254 -2.935 0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.197 -3.354 1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.410 -5.921 1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.727 -5.359 0.435 1.00 0.00 H new ATOM 1426 N THR A 94 106.774 0.537 2.310 1.00 0.00 N ATOM 1427 CA THR A 94 107.879 1.537 2.194 1.00 0.00 C ATOM 1428 C THR A 94 107.874 2.447 3.429 1.00 0.00 C ATOM 1429 O THR A 94 106.832 2.810 3.939 1.00 0.00 O ATOM 1430 CB THR A 94 107.679 2.381 0.933 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.612 3.453 0.931 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.256 2.938 0.908 1.00 0.00 C ATOM 0 H THR A 94 105.875 0.916 2.608 1.00 0.00 H new ATOM 0 HA THR A 94 108.835 1.016 2.130 1.00 0.00 H new ATOM 0 HB THR A 94 107.836 1.760 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.333 4.128 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 94 106.116 3.539 0.009 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.543 2.114 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.093 3.559 1.789 1.00 0.00 H new ATOM 1440 N PHE A 95 109.036 2.811 3.915 1.00 0.00 N ATOM 1441 CA PHE A 95 109.096 3.689 5.122 1.00 0.00 C ATOM 1442 C PHE A 95 110.023 4.881 4.858 1.00 0.00 C ATOM 1443 O PHE A 95 111.070 4.744 4.254 1.00 0.00 O ATOM 1444 CB PHE A 95 109.641 2.873 6.300 1.00 0.00 C ATOM 1445 CG PHE A 95 108.728 1.698 6.562 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.866 0.523 5.810 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.749 1.781 7.558 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.021 -0.566 6.054 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.904 0.691 7.802 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.040 -0.483 7.049 1.00 0.00 C ATOM 0 H PHE A 95 109.940 2.539 3.529 1.00 0.00 H new ATOM 0 HA PHE A 95 108.097 4.061 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.649 2.522 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.710 3.499 7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.624 0.458 5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.645 2.686 8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.126 -1.471 5.474 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.148 0.755 8.570 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.388 -1.323 7.236 1.00 0.00 H new ATOM 1460 N TYR A 96 109.655 6.049 5.323 1.00 0.00 N ATOM 1461 CA TYR A 96 110.518 7.250 5.111 1.00 0.00 C ATOM 1462 C TYR A 96 110.616 8.046 6.417 1.00 0.00 C ATOM 1463 O TYR A 96 109.673 8.118 7.183 1.00 0.00 O ATOM 1464 CB TYR A 96 109.898 8.159 4.042 1.00 0.00 C ATOM 1465 CG TYR A 96 109.732 7.411 2.741 1.00 0.00 C ATOM 1466 CD1 TYR A 96 108.560 6.687 2.498 1.00 0.00 C ATOM 1467 CD2 TYR A 96 110.742 7.457 1.773 1.00 0.00 C ATOM 1468 CE1 TYR A 96 108.397 6.007 1.286 1.00 0.00 C ATOM 1469 CE2 TYR A 96 110.579 6.775 0.561 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.406 6.049 0.317 1.00 0.00 C ATOM 1471 OH TYR A 96 109.245 5.381 -0.878 1.00 0.00 O ATOM 0 H TYR A 96 108.793 6.222 5.841 1.00 0.00 H new ATOM 0 HA TYR A 96 111.506 6.918 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.930 8.524 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.531 9.032 3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 96 107.781 6.653 3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 96 111.646 8.018 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 96 107.492 5.449 1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 96 111.358 6.809 -0.186 1.00 0.00 H new ATOM 0 HH TYR A 96 110.018 4.799 -1.034 1.00 0.00 H new ATOM 1481 N SER A 97 111.739 8.661 6.671 1.00 0.00 N ATOM 1482 CA SER A 97 111.887 9.466 7.919 1.00 0.00 C ATOM 1483 C SER A 97 112.897 10.593 7.676 1.00 0.00 C ATOM 1484 O SER A 97 113.774 10.483 6.842 1.00 0.00 O ATOM 1485 CB SER A 97 112.384 8.573 9.060 1.00 0.00 C ATOM 1486 OG SER A 97 111.467 7.504 9.251 1.00 0.00 O ATOM 0 H SER A 97 112.562 8.641 6.068 1.00 0.00 H new ATOM 0 HA SER A 97 110.920 9.889 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 97 113.374 8.181 8.826 1.00 0.00 H new ATOM 0 HB3 SER A 97 112.480 9.154 9.977 1.00 0.00 H new ATOM 0 HG SER A 97 111.931 6.745 9.662 1.00 0.00 H new ATOM 1492 N ARG A 98 112.783 11.678 8.396 1.00 0.00 N ATOM 1493 CA ARG A 98 113.742 12.810 8.203 1.00 0.00 C ATOM 1494 C ARG A 98 114.694 12.884 9.407 1.00 0.00 C ATOM 1495 O ARG A 98 114.286 12.731 10.540 1.00 0.00 O ATOM 1496 CB ARG A 98 112.970 14.124 8.074 1.00 0.00 C ATOM 1497 CG ARG A 98 112.421 14.269 6.650 1.00 0.00 C ATOM 1498 CD ARG A 98 111.254 15.255 6.653 1.00 0.00 C ATOM 1499 NE ARG A 98 111.020 15.753 5.261 1.00 0.00 N ATOM 1500 CZ ARG A 98 111.933 16.432 4.623 1.00 0.00 C ATOM 1501 NH1 ARG A 98 113.007 16.837 5.248 1.00 0.00 N ATOM 1502 NH2 ARG A 98 111.756 16.743 3.368 1.00 0.00 N ATOM 0 H ARG A 98 112.069 11.831 9.109 1.00 0.00 H new ATOM 0 HA ARG A 98 114.320 12.645 7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.151 14.147 8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.623 14.964 8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 98 113.206 14.620 5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 98 112.092 13.300 6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.355 14.770 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 98 111.471 16.091 7.318 1.00 0.00 H new ATOM 0 HE ARG A 98 110.130 15.558 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 98 113.133 16.622 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 98 113.719 17.368 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 98 110.904 16.455 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 98 112.470 17.274 2.869 1.00 0.00 H new ATOM 1516 N LEU A 99 115.953 13.118 9.165 1.00 0.00 N ATOM 1517 CA LEU A 99 116.940 13.199 10.283 1.00 0.00 C ATOM 1518 C LEU A 99 117.151 14.662 10.681 1.00 0.00 C ATOM 1519 O LEU A 99 117.215 15.528 9.833 1.00 0.00 O ATOM 1520 CB LEU A 99 118.282 12.627 9.811 1.00 0.00 C ATOM 1521 CG LEU A 99 118.119 11.174 9.365 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.495 10.594 9.026 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.489 10.358 10.495 1.00 0.00 C ATOM 0 H LEU A 99 116.346 13.258 8.234 1.00 0.00 H new ATOM 0 HA LEU A 99 116.563 12.634 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.669 13.225 8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.013 12.686 10.618 1.00 0.00 H new ATOM 0 HG LEU A 99 117.475 11.132 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.384 9.558 8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.947 11.175 8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.135 10.636 9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.374 9.322 10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.132 10.397 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.512 10.773 10.742 1.00 0.00 H new ATOM 1535 N PRO A 100 117.284 14.944 11.954 1.00 0.00 N ATOM 1536 CA PRO A 100 117.517 16.333 12.431 1.00 0.00 C ATOM 1537 C PRO A 100 118.589 17.033 11.593 1.00 0.00 C ATOM 1538 O PRO A 100 119.155 16.453 10.689 1.00 0.00 O ATOM 1539 CB PRO A 100 117.998 16.151 13.870 1.00 0.00 C ATOM 1540 CG PRO A 100 117.405 14.858 14.323 1.00 0.00 C ATOM 1541 CD PRO A 100 117.228 13.985 13.075 1.00 0.00 C ATOM 0 HA PRO A 100 116.624 16.953 12.355 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.086 16.124 13.920 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.670 16.977 14.502 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.056 14.368 15.047 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.447 15.025 14.816 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.015 13.235 12.998 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.279 13.449 13.094 1.00 0.00 H new ATOM 1549 N SER A 101 118.871 18.272 11.876 1.00 0.00 N ATOM 1550 CA SER A 101 119.906 18.991 11.084 1.00 0.00 C ATOM 1551 C SER A 101 121.293 18.706 11.668 1.00 0.00 C ATOM 1552 O SER A 101 122.303 19.022 11.071 1.00 0.00 O ATOM 1553 CB SER A 101 119.632 20.493 11.132 1.00 0.00 C ATOM 1554 OG SER A 101 118.378 20.761 10.517 1.00 0.00 O ATOM 0 H SER A 101 118.432 18.817 12.618 1.00 0.00 H new ATOM 0 HA SER A 101 119.872 18.647 10.050 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.625 20.840 12.165 1.00 0.00 H new ATOM 0 HB3 SER A 101 120.426 21.036 10.618 1.00 0.00 H new ATOM 0 HG SER A 101 118.198 21.724 10.547 1.00 0.00 H new ATOM 1560 N LEU A 102 121.354 18.123 12.836 1.00 0.00 N ATOM 1561 CA LEU A 102 122.677 17.838 13.461 1.00 0.00 C ATOM 1562 C LEU A 102 122.804 16.348 13.795 1.00 0.00 C ATOM 1563 O LEU A 102 121.930 15.760 14.402 1.00 0.00 O ATOM 1564 CB LEU A 102 122.804 18.661 14.746 1.00 0.00 C ATOM 1565 CG LEU A 102 124.134 18.354 15.438 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.290 18.613 14.470 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.284 19.262 16.662 1.00 0.00 C ATOM 0 H LEU A 102 120.544 17.832 13.384 1.00 0.00 H new ATOM 0 HA LEU A 102 123.469 18.105 12.761 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.743 19.724 14.514 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.975 18.433 15.416 1.00 0.00 H new ATOM 0 HG LEU A 102 124.151 17.309 15.748 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.236 18.394 14.966 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.182 17.973 13.595 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.277 19.658 14.159 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.230 19.048 17.160 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.268 20.305 16.346 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.461 19.080 17.353 1.00 0.00 H new ATOM 1579 N ILE A 103 123.897 15.738 13.414 1.00 0.00 N ATOM 1580 CA ILE A 103 124.106 14.291 13.728 1.00 0.00 C ATOM 1581 C ILE A 103 125.604 14.047 13.939 1.00 0.00 C ATOM 1582 O ILE A 103 126.370 13.992 12.996 1.00 0.00 O ATOM 1583 CB ILE A 103 123.609 13.425 12.572 1.00 0.00 C ATOM 1584 CG1 ILE A 103 122.156 13.785 12.246 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.682 11.947 12.969 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.649 12.893 11.109 1.00 0.00 C ATOM 0 H ILE A 103 124.657 16.181 12.897 1.00 0.00 H new ATOM 0 HA ILE A 103 123.550 14.029 14.628 1.00 0.00 H new ATOM 0 HB ILE A 103 124.235 13.602 11.698 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.531 13.655 13.130 1.00 0.00 H new ATOM 0 HG13 ILE A 103 122.086 14.834 11.958 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.327 11.330 12.143 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.714 11.683 13.201 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.057 11.774 13.845 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.615 13.150 10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 103 122.267 13.045 10.224 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.703 11.848 11.414 1.00 0.00 H new ATOM 1598 N SER A 104 126.033 13.903 15.164 1.00 0.00 N ATOM 1599 CA SER A 104 127.483 13.670 15.423 1.00 0.00 C ATOM 1600 C SER A 104 127.686 12.268 16.004 1.00 0.00 C ATOM 1601 O SER A 104 128.793 11.859 16.290 1.00 0.00 O ATOM 1602 CB SER A 104 127.992 14.711 16.423 1.00 0.00 C ATOM 1603 OG SER A 104 127.373 14.493 17.684 1.00 0.00 O ATOM 0 H SER A 104 125.443 13.937 15.995 1.00 0.00 H new ATOM 0 HA SER A 104 128.035 13.756 14.487 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.075 14.640 16.520 1.00 0.00 H new ATOM 0 HB3 SER A 104 127.769 15.716 16.064 1.00 0.00 H new ATOM 0 HG SER A 104 127.698 15.157 18.327 1.00 0.00 H new ATOM 1609 N ASP A 105 126.626 11.530 16.185 1.00 0.00 N ATOM 1610 CA ASP A 105 126.760 10.160 16.756 1.00 0.00 C ATOM 1611 C ASP A 105 126.969 9.140 15.632 1.00 0.00 C ATOM 1612 O ASP A 105 126.546 9.342 14.513 1.00 0.00 O ATOM 1613 CB ASP A 105 125.493 9.808 17.539 1.00 0.00 C ATOM 1614 CG ASP A 105 124.294 10.521 16.911 1.00 0.00 C ATOM 1615 OD1 ASP A 105 124.386 10.887 15.751 1.00 0.00 O ATOM 1616 OD2 ASP A 105 123.303 10.689 17.602 1.00 0.00 O ATOM 0 H ASP A 105 125.673 11.816 15.962 1.00 0.00 H new ATOM 0 HA ASP A 105 127.622 10.134 17.423 1.00 0.00 H new ATOM 0 HB2 ASP A 105 125.334 8.730 17.530 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.602 10.106 18.582 1.00 0.00 H new ATOM 1621 N ASN A 106 127.608 8.041 15.931 1.00 0.00 N ATOM 1622 CA ASN A 106 127.842 6.995 14.894 1.00 0.00 C ATOM 1623 C ASN A 106 126.784 5.900 15.039 1.00 0.00 C ATOM 1624 O ASN A 106 127.045 4.740 14.791 1.00 0.00 O ATOM 1625 CB ASN A 106 129.230 6.383 15.090 1.00 0.00 C ATOM 1626 CG ASN A 106 130.308 7.393 14.690 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.033 8.350 13.995 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.534 7.214 15.101 1.00 0.00 N ATOM 0 H ASN A 106 127.980 7.822 16.855 1.00 0.00 H new ATOM 0 HA ASN A 106 127.778 7.443 13.902 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.363 6.089 16.131 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.326 5.479 14.489 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.262 7.878 14.838 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.764 6.410 15.685 1.00 0.00 H new ATOM 1635 N TRP A 107 125.602 6.254 15.463 1.00 0.00 N ATOM 1636 CA TRP A 107 124.542 5.222 15.654 1.00 0.00 C ATOM 1637 C TRP A 107 124.147 4.605 14.311 1.00 0.00 C ATOM 1638 O TRP A 107 124.373 5.167 13.258 1.00 0.00 O ATOM 1639 CB TRP A 107 123.310 5.866 16.301 1.00 0.00 C ATOM 1640 CG TRP A 107 122.743 6.912 15.396 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.327 8.102 15.123 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.490 6.892 14.651 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.512 8.811 14.256 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.370 8.107 13.936 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.456 5.945 14.528 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.266 8.373 13.128 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.341 6.210 13.713 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.247 7.423 13.015 1.00 0.00 C ATOM 0 H TRP A 107 125.324 7.210 15.685 1.00 0.00 H new ATOM 0 HA TRP A 107 124.931 4.436 16.302 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.557 5.105 16.506 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.583 6.311 17.258 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.273 8.443 15.517 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.730 9.741 13.898 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.519 5.009 15.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.198 9.308 12.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.554 5.476 13.624 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.388 7.623 12.391 1.00 0.00 H new ATOM 1659 N LYS A 108 123.565 3.437 14.353 1.00 0.00 N ATOM 1660 CA LYS A 108 123.144 2.745 13.102 1.00 0.00 C ATOM 1661 C LYS A 108 121.869 1.944 13.383 1.00 0.00 C ATOM 1662 O LYS A 108 121.592 1.581 14.509 1.00 0.00 O ATOM 1663 CB LYS A 108 124.255 1.799 12.644 1.00 0.00 C ATOM 1664 CG LYS A 108 124.500 0.740 13.723 1.00 0.00 C ATOM 1665 CD LYS A 108 125.658 -0.167 13.296 1.00 0.00 C ATOM 1666 CE LYS A 108 125.862 -1.267 14.339 1.00 0.00 C ATOM 1667 NZ LYS A 108 126.179 -0.649 15.659 1.00 0.00 N ATOM 0 H LYS A 108 123.361 2.927 15.212 1.00 0.00 H new ATOM 0 HA LYS A 108 122.953 3.478 12.319 1.00 0.00 H new ATOM 0 HB2 LYS A 108 123.976 1.320 11.706 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.170 2.360 12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 108 124.732 1.221 14.673 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.598 0.148 13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 108 125.446 -0.610 12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 108 126.571 0.419 13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 108 124.963 -1.879 14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 108 126.672 -1.929 14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 126.467 -1.390 16.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 126.955 0.034 15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 125.337 -0.160 16.024 1.00 0.00 H new ATOM 1681 N PHE A 109 121.096 1.655 12.373 1.00 0.00 N ATOM 1682 CA PHE A 109 119.846 0.870 12.596 1.00 0.00 C ATOM 1683 C PHE A 109 119.496 0.120 11.310 1.00 0.00 C ATOM 1684 O PHE A 109 120.020 0.414 10.254 1.00 0.00 O ATOM 1685 CB PHE A 109 118.704 1.818 12.984 1.00 0.00 C ATOM 1686 CG PHE A 109 118.298 2.660 11.798 1.00 0.00 C ATOM 1687 CD1 PHE A 109 118.955 3.867 11.535 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.253 2.235 10.969 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.570 4.649 10.439 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.867 3.018 9.874 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.526 4.224 9.610 1.00 0.00 C ATOM 0 H PHE A 109 121.273 1.926 11.406 1.00 0.00 H new ATOM 0 HA PHE A 109 119.995 0.154 13.404 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.849 1.243 13.340 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.019 2.462 13.805 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.759 4.195 12.177 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.745 1.304 11.174 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.079 5.579 10.234 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.061 2.691 9.234 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.228 4.827 8.765 1.00 0.00 H new ATOM 1701 N PHE A 110 118.639 -0.866 11.378 1.00 0.00 N ATOM 1702 CA PHE A 110 118.310 -1.626 10.136 1.00 0.00 C ATOM 1703 C PHE A 110 116.902 -2.233 10.199 1.00 0.00 C ATOM 1704 O PHE A 110 116.312 -2.375 11.254 1.00 0.00 O ATOM 1705 CB PHE A 110 119.334 -2.745 9.955 1.00 0.00 C ATOM 1706 CG PHE A 110 119.502 -3.496 11.257 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.247 -2.930 12.300 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.919 -4.759 11.422 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.409 -3.626 13.505 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.082 -5.455 12.626 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.826 -4.888 13.668 1.00 0.00 C ATOM 0 H PHE A 110 118.160 -1.174 12.224 1.00 0.00 H new ATOM 0 HA PHE A 110 118.340 -0.935 9.294 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.007 -3.427 9.170 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.290 -2.329 9.638 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.697 -1.956 12.175 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.343 -5.196 10.620 1.00 0.00 H new ATOM 0 HE1 PHE A 110 120.984 -3.189 14.308 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.634 -6.430 12.751 1.00 0.00 H new ATOM 0 HZ PHE A 110 119.950 -5.424 14.597 1.00 0.00 H new ATOM 1721 N CYS A 111 116.383 -2.617 9.058 1.00 0.00 N ATOM 1722 CA CYS A 111 115.032 -3.246 8.992 1.00 0.00 C ATOM 1723 C CYS A 111 115.148 -4.531 8.171 1.00 0.00 C ATOM 1724 O CYS A 111 116.088 -4.699 7.418 1.00 0.00 O ATOM 1725 CB CYS A 111 114.046 -2.289 8.309 1.00 0.00 C ATOM 1726 SG CYS A 111 113.778 -0.835 9.357 1.00 0.00 S ATOM 0 H CYS A 111 116.849 -2.518 8.156 1.00 0.00 H new ATOM 0 HA CYS A 111 114.669 -3.466 9.996 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.436 -1.982 7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.099 -2.797 8.126 1.00 0.00 H new ATOM 1731 N VAL A 112 114.236 -5.458 8.317 1.00 0.00 N ATOM 1732 CA VAL A 112 114.362 -6.728 7.545 1.00 0.00 C ATOM 1733 C VAL A 112 113.056 -7.091 6.831 1.00 0.00 C ATOM 1734 O VAL A 112 111.971 -6.916 7.349 1.00 0.00 O ATOM 1735 CB VAL A 112 114.738 -7.860 8.500 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.565 -9.206 7.792 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.194 -7.698 8.936 1.00 0.00 C ATOM 0 H VAL A 112 113.422 -5.392 8.928 1.00 0.00 H new ATOM 0 HA VAL A 112 115.134 -6.587 6.789 1.00 0.00 H new ATOM 0 HB VAL A 112 114.090 -7.824 9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.833 -10.013 8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.527 -9.323 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.212 -9.242 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.462 -8.506 9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.842 -7.732 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.318 -6.741 9.442 1.00 0.00 H new ATOM 1747 N CYS A 113 113.174 -7.642 5.645 1.00 0.00 N ATOM 1748 CA CYS A 113 111.981 -8.086 4.869 1.00 0.00 C ATOM 1749 C CYS A 113 112.173 -9.572 4.559 1.00 0.00 C ATOM 1750 O CYS A 113 113.240 -9.980 4.142 1.00 0.00 O ATOM 1751 CB CYS A 113 111.897 -7.300 3.556 1.00 0.00 C ATOM 1752 SG CYS A 113 111.519 -5.562 3.894 1.00 0.00 S ATOM 0 H CYS A 113 114.066 -7.804 5.177 1.00 0.00 H new ATOM 0 HA CYS A 113 111.065 -7.917 5.436 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.841 -7.377 3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.127 -7.730 2.915 1.00 0.00 H new ATOM 1757 N SER A 114 111.187 -10.403 4.772 1.00 0.00 N ATOM 1758 CA SER A 114 111.406 -11.853 4.492 1.00 0.00 C ATOM 1759 C SER A 114 110.101 -12.650 4.574 1.00 0.00 C ATOM 1760 O SER A 114 109.046 -12.129 4.877 1.00 0.00 O ATOM 1761 CB SER A 114 112.378 -12.410 5.532 1.00 0.00 C ATOM 1762 OG SER A 114 111.879 -12.120 6.834 1.00 0.00 O ATOM 0 H SER A 114 110.262 -10.150 5.119 1.00 0.00 H new ATOM 0 HA SER A 114 111.804 -11.948 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.491 -13.486 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.365 -11.967 5.400 1.00 0.00 H new ATOM 0 HG SER A 114 112.496 -12.475 7.507 1.00 0.00 H new ATOM 1768 N LYS A 115 110.194 -13.929 4.316 1.00 0.00 N ATOM 1769 CA LYS A 115 109.010 -14.829 4.389 1.00 0.00 C ATOM 1770 C LYS A 115 109.515 -16.243 4.683 1.00 0.00 C ATOM 1771 O LYS A 115 110.689 -16.524 4.555 1.00 0.00 O ATOM 1772 CB LYS A 115 108.251 -14.842 3.057 1.00 0.00 C ATOM 1773 CG LYS A 115 107.502 -13.523 2.862 1.00 0.00 C ATOM 1774 CD LYS A 115 106.353 -13.736 1.870 1.00 0.00 C ATOM 1775 CE LYS A 115 106.915 -14.162 0.512 1.00 0.00 C ATOM 1776 NZ LYS A 115 105.804 -14.263 -0.479 1.00 0.00 N ATOM 0 H LYS A 115 111.062 -14.395 4.052 1.00 0.00 H new ATOM 0 HA LYS A 115 108.334 -14.477 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.949 -14.997 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.547 -15.674 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.113 -13.168 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.182 -12.757 2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.671 -14.498 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.777 -12.817 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 115 107.656 -13.439 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.424 -15.122 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 106.098 -14.872 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 104.965 -14.672 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.574 -13.315 -0.840 1.00 0.00 H new ATOM 1790 N ASP A 116 108.654 -17.139 5.071 1.00 0.00 N ATOM 1791 CA ASP A 116 109.114 -18.529 5.351 1.00 0.00 C ATOM 1792 C ASP A 116 109.765 -19.108 4.086 1.00 0.00 C ATOM 1793 O ASP A 116 109.418 -18.749 2.980 1.00 0.00 O ATOM 1794 CB ASP A 116 107.919 -19.391 5.758 1.00 0.00 C ATOM 1795 CG ASP A 116 107.452 -18.984 7.156 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.206 -18.313 7.841 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.345 -19.349 7.519 1.00 0.00 O ATOM 0 H ASP A 116 107.657 -16.973 5.206 1.00 0.00 H new ATOM 0 HA ASP A 116 109.841 -18.520 6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.107 -19.268 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.197 -20.445 5.748 1.00 0.00 H new ATOM 1802 N ASN A 117 110.703 -20.003 4.245 1.00 0.00 N ATOM 1803 CA ASN A 117 111.375 -20.603 3.052 1.00 0.00 C ATOM 1804 C ASN A 117 111.760 -19.490 2.066 1.00 0.00 C ATOM 1805 O ASN A 117 111.313 -19.473 0.937 1.00 0.00 O ATOM 1806 CB ASN A 117 110.419 -21.579 2.366 1.00 0.00 C ATOM 1807 CG ASN A 117 111.161 -22.328 1.257 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.323 -22.073 1.006 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.535 -23.251 0.578 1.00 0.00 N ATOM 0 H ASN A 117 111.034 -20.345 5.147 1.00 0.00 H new ATOM 0 HA ASN A 117 112.272 -21.134 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.021 -22.286 3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.569 -21.039 1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.021 -23.757 -0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.560 -23.466 0.788 1.00 0.00 H new ATOM 1816 N GLU A 118 112.596 -18.571 2.472 1.00 0.00 N ATOM 1817 CA GLU A 118 112.998 -17.468 1.547 1.00 0.00 C ATOM 1818 C GLU A 118 114.236 -16.745 2.094 1.00 0.00 C ATOM 1819 O GLU A 118 114.397 -16.587 3.286 1.00 0.00 O ATOM 1820 CB GLU A 118 111.853 -16.455 1.431 1.00 0.00 C ATOM 1821 CG GLU A 118 110.749 -17.010 0.526 1.00 0.00 C ATOM 1822 CD GLU A 118 109.909 -15.848 -0.016 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.219 -14.714 0.313 1.00 0.00 O ATOM 1824 OE2 GLU A 118 108.977 -16.110 -0.759 1.00 0.00 O ATOM 0 H GLU A 118 113.017 -18.535 3.400 1.00 0.00 H new ATOM 0 HA GLU A 118 113.225 -17.896 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.448 -16.237 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.228 -15.515 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.187 -17.573 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.118 -17.701 1.084 1.00 0.00 H new ATOM 1831 N LYS A 119 115.105 -16.291 1.226 1.00 0.00 N ATOM 1832 CA LYS A 119 116.324 -15.563 1.694 1.00 0.00 C ATOM 1833 C LYS A 119 115.892 -14.310 2.465 1.00 0.00 C ATOM 1834 O LYS A 119 114.872 -13.716 2.177 1.00 0.00 O ATOM 1835 CB LYS A 119 117.169 -15.151 0.484 1.00 0.00 C ATOM 1836 CG LYS A 119 117.725 -16.398 -0.208 1.00 0.00 C ATOM 1837 CD LYS A 119 118.576 -15.979 -1.410 1.00 0.00 C ATOM 1838 CE LYS A 119 117.696 -15.258 -2.435 1.00 0.00 C ATOM 1839 NZ LYS A 119 116.331 -15.858 -2.431 1.00 0.00 N ATOM 0 H LYS A 119 115.023 -16.393 0.214 1.00 0.00 H new ATOM 0 HA LYS A 119 116.914 -16.211 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.563 -14.575 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.987 -14.505 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.326 -16.978 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.907 -17.041 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.385 -15.324 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 119 119.038 -16.855 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 119 117.638 -14.196 -2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.137 -15.338 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 115.834 -15.596 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 116.407 -16.894 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 115.798 -15.503 -1.611 1.00 0.00 H new ATOM 1853 N LYS A 120 116.652 -13.908 3.452 1.00 0.00 N ATOM 1854 CA LYS A 120 116.269 -12.701 4.246 1.00 0.00 C ATOM 1855 C LYS A 120 116.937 -11.450 3.669 1.00 0.00 C ATOM 1856 O LYS A 120 118.082 -11.473 3.258 1.00 0.00 O ATOM 1857 CB LYS A 120 116.697 -12.894 5.705 1.00 0.00 C ATOM 1858 CG LYS A 120 118.223 -12.833 5.813 1.00 0.00 C ATOM 1859 CD LYS A 120 118.648 -13.207 7.238 1.00 0.00 C ATOM 1860 CE LYS A 120 118.629 -14.730 7.398 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.367 -15.110 8.636 1.00 0.00 N ATOM 0 H LYS A 120 117.518 -14.362 3.742 1.00 0.00 H new ATOM 0 HA LYS A 120 115.188 -12.572 4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.248 -12.122 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.336 -13.853 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.677 -13.516 5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.576 -11.832 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.647 -12.822 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.975 -12.747 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.601 -15.088 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 120 119.087 -15.203 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 119.354 -16.144 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.351 -14.781 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.911 -14.670 9.461 1.00 0.00 H new ATOM 1875 N LEU A 121 116.223 -10.351 3.641 1.00 0.00 N ATOM 1876 CA LEU A 121 116.800 -9.086 3.098 1.00 0.00 C ATOM 1877 C LEU A 121 117.017 -8.099 4.250 1.00 0.00 C ATOM 1878 O LEU A 121 116.094 -7.761 4.968 1.00 0.00 O ATOM 1879 CB LEU A 121 115.822 -8.477 2.086 1.00 0.00 C ATOM 1880 CG LEU A 121 115.398 -9.541 1.070 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.435 -8.924 0.054 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.631 -10.076 0.342 1.00 0.00 C ATOM 0 H LEU A 121 115.261 -10.278 3.973 1.00 0.00 H new ATOM 0 HA LEU A 121 117.751 -9.295 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.946 -8.085 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.291 -7.637 1.573 1.00 0.00 H new ATOM 0 HG LEU A 121 114.901 -10.359 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.134 -9.682 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.554 -8.546 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.931 -8.104 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.327 -10.833 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.130 -9.258 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.317 -10.519 1.065 1.00 0.00 H new ATOM 1894 N VAL A 122 118.224 -7.640 4.447 1.00 0.00 N ATOM 1895 CA VAL A 122 118.484 -6.688 5.571 1.00 0.00 C ATOM 1896 C VAL A 122 118.790 -5.285 5.037 1.00 0.00 C ATOM 1897 O VAL A 122 119.618 -5.101 4.171 1.00 0.00 O ATOM 1898 CB VAL A 122 119.685 -7.182 6.390 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.135 -6.078 7.354 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.288 -8.424 7.190 1.00 0.00 C ATOM 0 H VAL A 122 119.039 -7.880 3.883 1.00 0.00 H new ATOM 0 HA VAL A 122 117.592 -6.641 6.196 1.00 0.00 H new ATOM 0 HB VAL A 122 120.503 -7.433 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.988 -6.428 7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.422 -5.193 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.315 -5.826 8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.143 -8.772 7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.469 -8.176 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.969 -9.211 6.506 1.00 0.00 H new ATOM 1910 N PHE A 123 118.132 -4.292 5.575 1.00 0.00 N ATOM 1911 CA PHE A 123 118.381 -2.882 5.148 1.00 0.00 C ATOM 1912 C PHE A 123 119.095 -2.164 6.300 1.00 0.00 C ATOM 1913 O PHE A 123 118.593 -2.119 7.401 1.00 0.00 O ATOM 1914 CB PHE A 123 117.037 -2.208 4.854 1.00 0.00 C ATOM 1915 CG PHE A 123 117.195 -0.707 4.880 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.939 -0.063 3.886 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.582 0.041 5.894 1.00 0.00 C ATOM 1918 CE1 PHE A 123 118.076 1.330 3.905 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.719 1.435 5.914 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.466 2.079 4.919 1.00 0.00 C ATOM 0 H PHE A 123 117.424 -4.399 6.301 1.00 0.00 H new ATOM 0 HA PHE A 123 118.996 -2.844 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.667 -2.526 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.297 -2.517 5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.408 -0.641 3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.005 -0.457 6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.652 1.827 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.249 2.013 6.696 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.572 3.154 4.934 1.00 0.00 H new ATOM 1930 N THR A 124 120.273 -1.629 6.079 1.00 0.00 N ATOM 1931 CA THR A 124 120.985 -0.964 7.211 1.00 0.00 C ATOM 1932 C THR A 124 121.634 0.357 6.785 1.00 0.00 C ATOM 1933 O THR A 124 122.192 0.483 5.709 1.00 0.00 O ATOM 1934 CB THR A 124 122.070 -1.908 7.737 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.571 -1.409 8.969 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.214 -1.999 6.721 1.00 0.00 C ATOM 0 H THR A 124 120.762 -1.624 5.184 1.00 0.00 H new ATOM 0 HA THR A 124 120.252 -0.741 7.986 1.00 0.00 H new ATOM 0 HB THR A 124 121.644 -2.900 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.264 -2.012 9.309 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.984 -2.672 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.831 -2.381 5.775 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.642 -1.009 6.565 1.00 0.00 H new ATOM 1944 N VAL A 125 121.594 1.332 7.658 1.00 0.00 N ATOM 1945 CA VAL A 125 122.231 2.650 7.374 1.00 0.00 C ATOM 1946 C VAL A 125 123.012 3.085 8.622 1.00 0.00 C ATOM 1947 O VAL A 125 122.745 2.625 9.718 1.00 0.00 O ATOM 1948 CB VAL A 125 121.154 3.690 7.042 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.136 3.083 6.077 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.441 4.123 8.326 1.00 0.00 C ATOM 0 H VAL A 125 121.139 1.267 8.569 1.00 0.00 H new ATOM 0 HA VAL A 125 122.904 2.566 6.521 1.00 0.00 H new ATOM 0 HB VAL A 125 121.624 4.557 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.371 3.823 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.640 2.779 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.669 2.214 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.676 4.862 8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.974 3.256 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.165 4.560 9.014 1.00 0.00 H new ATOM 1960 N GLU A 126 123.977 3.952 8.476 1.00 0.00 N ATOM 1961 CA GLU A 126 124.768 4.385 9.667 1.00 0.00 C ATOM 1962 C GLU A 126 124.993 5.899 9.628 1.00 0.00 C ATOM 1963 O GLU A 126 124.938 6.520 8.585 1.00 0.00 O ATOM 1964 CB GLU A 126 126.123 3.672 9.661 1.00 0.00 C ATOM 1965 CG GLU A 126 126.931 4.118 8.441 1.00 0.00 C ATOM 1966 CD GLU A 126 128.256 3.354 8.397 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.770 3.037 9.456 1.00 0.00 O ATOM 1968 OE2 GLU A 126 128.732 3.097 7.303 1.00 0.00 O ATOM 0 H GLU A 126 124.252 4.378 7.591 1.00 0.00 H new ATOM 0 HA GLU A 126 124.218 4.129 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.670 3.901 10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 126 125.977 2.592 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 126 126.363 3.934 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 126 127.119 5.191 8.489 1.00 0.00 H new ATOM 1975 N ALA A 127 125.259 6.494 10.760 1.00 0.00 N ATOM 1976 CA ALA A 127 125.496 7.964 10.798 1.00 0.00 C ATOM 1977 C ALA A 127 126.042 8.356 12.174 1.00 0.00 C ATOM 1978 O ALA A 127 125.631 7.745 13.148 1.00 0.00 O ATOM 1979 CB ALA A 127 124.180 8.702 10.543 1.00 0.00 C ATOM 1980 OXT ALA A 127 126.862 9.259 12.229 1.00 0.00 O ATOM 0 H ALA A 127 125.322 6.023 11.662 1.00 0.00 H new ATOM 0 HA ALA A 127 126.218 8.235 10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 127 124.355 9.778 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.790 8.423 9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.456 8.432 11.312 1.00 0.00 H new TER 1986 ALA A 127