USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 974 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 64 MET CE :methyl 144:sc= -2.07 (180deg=-1.25) USER MOD Set 1.2: A 69 THR OG1 : rot -170:sc= -0.595 USER MOD Set 2.1: A 33 SER OG : rot -4:sc= 0.573 USER MOD Set 2.2: A 49 THR OG1 : rot -73:sc= 0.107 USER MOD Set 3.1: A 17 ASN : amide:sc= -0.711 K(o=0.43,f=-2.2!) USER MOD Set 3.2: A 19 SER OG : rot -127:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 130:sc= -0.366 (180deg=-1.13) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.967 USER MOD Single : A 9 SER OG : rot -69:sc= -0.493! USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 137:sc= 0.0155 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -4.51! C(o=-4.5!,f=-5.9!) USER MOD Single : A 16 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.803 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00682 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 43 SER OG : rot 71:sc= 0.171 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 14:sc= 0.987 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.13) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0785 X(o=-0.079,f=-0.095) USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0602) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 56:sc= 1.18 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 76 SER OG : rot 180:sc= -0.23 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 78 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.116) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0783 USER MOD Single : A 87 SER OG : rot -114:sc= 0.239 USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0101) USER MOD Single : A 89 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.092) USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0462) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 139:sc= -0.155 (180deg=-1.02) USER MOD Single : A 95 CYS SG : rot -77:sc= 0.256 USER MOD Single : A 104 ASN : amide:sc= -0.937 K(o=-0.94,f=-8.2!) USER MOD Single : A 107 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0778) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 125.905 4.859 -1.010 1.00 0.00 N ATOM 2 CA GLY A -3 125.001 4.817 0.173 1.00 0.00 C ATOM 3 C GLY A -3 123.701 5.556 -0.150 1.00 0.00 C ATOM 4 O GLY A -3 123.714 6.612 -0.756 1.00 0.00 O ATOM 0 H1 GLY A -3 126.876 5.064 -0.698 1.00 0.00 H new ATOM 0 H2 GLY A -3 125.884 3.940 -1.496 1.00 0.00 H new ATOM 0 H3 GLY A -3 125.587 5.603 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A -3 124.786 3.783 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A -3 125.489 5.276 1.033 1.00 0.00 H new ATOM 10 N ALA A -2 122.580 5.006 0.252 1.00 0.00 N ATOM 11 CA ALA A -2 121.269 5.667 -0.024 1.00 0.00 C ATOM 12 C ALA A -2 120.742 6.348 1.242 1.00 0.00 C ATOM 13 O ALA A -2 120.903 5.843 2.339 1.00 0.00 O ATOM 14 CB ALA A -2 120.336 4.533 -0.451 1.00 0.00 C ATOM 0 H ALA A -2 122.519 4.124 0.761 1.00 0.00 H new ATOM 0 HA ALA A -2 121.349 6.439 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A -2 119.349 4.938 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A -2 120.737 4.048 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A -2 120.257 3.804 0.355 1.00 0.00 H new ATOM 20 N MET A -1 120.113 7.489 1.096 1.00 0.00 N ATOM 21 CA MET A -1 119.570 8.215 2.284 1.00 0.00 C ATOM 22 C MET A -1 118.442 9.160 1.860 1.00 0.00 C ATOM 23 O MET A -1 117.396 9.204 2.479 1.00 0.00 O ATOM 24 CB MET A -1 120.755 9.007 2.838 1.00 0.00 C ATOM 25 CG MET A -1 120.384 9.595 4.201 1.00 0.00 C ATOM 26 SD MET A -1 120.498 8.306 5.466 1.00 0.00 S ATOM 27 CE MET A -1 119.398 9.079 6.678 1.00 0.00 C ATOM 0 H MET A -1 119.952 7.950 0.200 1.00 0.00 H new ATOM 0 HA MET A -1 119.150 7.536 3.026 1.00 0.00 H new ATOM 0 HB2 MET A -1 121.626 8.359 2.935 1.00 0.00 H new ATOM 0 HB3 MET A -1 121.027 9.805 2.148 1.00 0.00 H new ATOM 0 HG2 MET A -1 121.052 10.421 4.447 1.00 0.00 H new ATOM 0 HG3 MET A -1 119.373 10.001 4.171 1.00 0.00 H new ATOM 0 HE1 MET A -1 119.321 8.441 7.559 1.00 0.00 H new ATOM 0 HE2 MET A -1 119.800 10.050 6.967 1.00 0.00 H new ATOM 0 HE3 MET A -1 118.409 9.212 6.239 1.00 0.00 H new ATOM 37 N GLY A 0 118.651 9.913 0.806 1.00 0.00 N ATOM 38 CA GLY A 0 117.603 10.867 0.329 1.00 0.00 C ATOM 39 C GLY A 0 116.380 10.091 -0.169 1.00 0.00 C ATOM 40 O GLY A 0 115.254 10.528 -0.014 1.00 0.00 O ATOM 0 H GLY A 0 119.508 9.906 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 0 117.314 11.538 1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.002 11.488 -0.473 1.00 0.00 H new ATOM 44 N MET A 1 116.598 8.943 -0.766 1.00 0.00 N ATOM 45 CA MET A 1 115.456 8.126 -1.278 1.00 0.00 C ATOM 46 C MET A 1 115.143 6.987 -0.303 1.00 0.00 C ATOM 47 O MET A 1 116.034 6.316 0.185 1.00 0.00 O ATOM 48 CB MET A 1 115.936 7.566 -2.618 1.00 0.00 C ATOM 49 CG MET A 1 116.101 8.710 -3.622 1.00 0.00 C ATOM 50 SD MET A 1 116.482 8.030 -5.255 1.00 0.00 S ATOM 51 CE MET A 1 114.836 7.373 -5.617 1.00 0.00 C ATOM 0 H MET A 1 117.521 8.537 -0.920 1.00 0.00 H new ATOM 0 HA MET A 1 114.544 8.714 -1.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.884 7.044 -2.487 1.00 0.00 H new ATOM 0 HB3 MET A 1 115.220 6.837 -2.997 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.187 9.303 -3.667 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.899 9.379 -3.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 114.521 7.706 -6.606 1.00 0.00 H new ATOM 0 HE2 MET A 1 114.866 6.284 -5.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 114.128 7.733 -4.870 1.00 0.00 H new ATOM 61 N SER A 2 113.882 6.769 -0.017 1.00 0.00 N ATOM 62 CA SER A 2 113.493 5.679 0.931 1.00 0.00 C ATOM 63 C SER A 2 112.468 4.748 0.276 1.00 0.00 C ATOM 64 O SER A 2 111.699 5.160 -0.572 1.00 0.00 O ATOM 65 CB SER A 2 112.875 6.399 2.129 1.00 0.00 C ATOM 66 OG SER A 2 113.829 7.298 2.679 1.00 0.00 O ATOM 0 H SER A 2 113.102 7.302 -0.402 1.00 0.00 H new ATOM 0 HA SER A 2 114.343 5.061 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.982 6.942 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.564 5.675 2.882 1.00 0.00 H new ATOM 0 HG SER A 2 113.436 7.763 3.447 1.00 0.00 H new ATOM 72 N VAL A 3 112.456 3.496 0.668 1.00 0.00 N ATOM 73 CA VAL A 3 111.476 2.522 0.080 1.00 0.00 C ATOM 74 C VAL A 3 110.046 2.901 0.495 1.00 0.00 C ATOM 75 O VAL A 3 109.103 2.688 -0.245 1.00 0.00 O ATOM 76 CB VAL A 3 111.863 1.146 0.650 1.00 0.00 C ATOM 77 CG1 VAL A 3 110.923 0.068 0.097 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.302 0.804 0.247 1.00 0.00 C ATOM 0 H VAL A 3 113.083 3.104 1.371 1.00 0.00 H new ATOM 0 HA VAL A 3 111.504 2.521 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 3 111.782 1.181 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.203 -0.903 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.897 0.299 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.000 0.041 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.572 -0.171 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.379 0.779 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.980 1.561 0.641 1.00 0.00 H new ATOM 88 N ALA A 4 109.885 3.463 1.671 1.00 0.00 N ATOM 89 CA ALA A 4 108.514 3.843 2.154 1.00 0.00 C ATOM 90 C ALA A 4 107.879 4.880 1.219 1.00 0.00 C ATOM 91 O ALA A 4 106.672 4.931 1.070 1.00 0.00 O ATOM 92 CB ALA A 4 108.725 4.443 3.547 1.00 0.00 C ATOM 0 H ALA A 4 110.644 3.676 2.319 1.00 0.00 H new ATOM 0 HA ALA A 4 107.843 2.984 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.764 4.744 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.185 3.699 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.377 5.313 3.473 1.00 0.00 H new ATOM 98 N ASP A 5 108.685 5.704 0.590 1.00 0.00 N ATOM 99 CA ASP A 5 108.137 6.725 -0.363 1.00 0.00 C ATOM 100 C ASP A 5 107.466 6.036 -1.557 1.00 0.00 C ATOM 101 O ASP A 5 106.431 6.469 -2.030 1.00 0.00 O ATOM 102 CB ASP A 5 109.347 7.542 -0.828 1.00 0.00 C ATOM 103 CG ASP A 5 109.866 8.400 0.329 1.00 0.00 C ATOM 104 OD1 ASP A 5 109.940 7.887 1.435 1.00 0.00 O ATOM 105 OD2 ASP A 5 110.178 9.554 0.090 1.00 0.00 O ATOM 0 H ASP A 5 109.700 5.714 0.695 1.00 0.00 H new ATOM 0 HA ASP A 5 107.381 7.354 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.134 6.876 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.068 8.178 -1.668 1.00 0.00 H new ATOM 110 N PHE A 6 108.053 4.968 -2.043 1.00 0.00 N ATOM 111 CA PHE A 6 107.440 4.224 -3.190 1.00 0.00 C ATOM 112 C PHE A 6 106.187 3.474 -2.726 1.00 0.00 C ATOM 113 O PHE A 6 105.250 3.291 -3.482 1.00 0.00 O ATOM 114 CB PHE A 6 108.511 3.239 -3.663 1.00 0.00 C ATOM 115 CG PHE A 6 109.734 3.913 -4.242 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.820 4.252 -3.398 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.794 4.208 -5.627 1.00 0.00 C ATOM 118 CE1 PHE A 6 111.966 4.883 -3.939 1.00 0.00 C ATOM 119 CE2 PHE A 6 110.940 4.840 -6.167 1.00 0.00 C ATOM 120 CZ PHE A 6 112.026 5.178 -5.323 1.00 0.00 C ATOM 0 H PHE A 6 108.930 4.579 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 6 107.132 4.896 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.814 2.613 -2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.079 2.578 -4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.774 4.029 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 6 108.966 3.951 -6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.795 5.140 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 6 110.986 5.064 -7.222 1.00 0.00 H new ATOM 0 HZ PHE A 6 112.900 5.661 -5.735 1.00 0.00 H new ATOM 130 N TYR A 7 106.164 3.039 -1.487 1.00 0.00 N ATOM 131 CA TYR A 7 104.947 2.348 -0.948 1.00 0.00 C ATOM 132 C TYR A 7 103.776 3.332 -0.864 1.00 0.00 C ATOM 133 O TYR A 7 103.874 4.371 -0.237 1.00 0.00 O ATOM 134 CB TYR A 7 105.340 1.863 0.453 1.00 0.00 C ATOM 135 CG TYR A 7 105.972 0.485 0.479 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.895 0.098 -0.525 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.647 -0.415 1.524 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.491 -1.187 -0.484 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.240 -1.700 1.562 1.00 0.00 C ATOM 140 CZ TYR A 7 107.163 -2.085 0.560 1.00 0.00 C ATOM 141 OH TYR A 7 107.745 -3.335 0.605 1.00 0.00 O ATOM 0 H TYR A 7 106.935 3.133 -0.826 1.00 0.00 H new ATOM 0 HA TYR A 7 104.629 1.523 -1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.036 2.578 0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.452 1.855 1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.144 0.783 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 7 104.947 -0.121 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.195 -1.481 -1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.988 -2.387 2.356 1.00 0.00 H new ATOM 0 HH TYR A 7 107.411 -3.824 1.386 1.00 0.00 H new ATOM 151 N GLY A 8 102.673 3.008 -1.492 1.00 0.00 N ATOM 152 CA GLY A 8 101.492 3.923 -1.473 1.00 0.00 C ATOM 153 C GLY A 8 101.517 4.868 -2.686 1.00 0.00 C ATOM 154 O GLY A 8 100.606 5.656 -2.873 1.00 0.00 O ATOM 0 H GLY A 8 102.540 2.145 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.572 3.338 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.492 4.506 -0.552 1.00 0.00 H new ATOM 158 N SER A 9 102.542 4.804 -3.511 1.00 0.00 N ATOM 159 CA SER A 9 102.593 5.691 -4.717 1.00 0.00 C ATOM 160 C SER A 9 101.867 5.024 -5.889 1.00 0.00 C ATOM 161 O SER A 9 101.783 3.813 -5.965 1.00 0.00 O ATOM 162 CB SER A 9 104.080 5.865 -5.030 1.00 0.00 C ATOM 163 OG SER A 9 104.606 4.644 -5.534 1.00 0.00 O ATOM 0 H SER A 9 103.340 4.178 -3.399 1.00 0.00 H new ATOM 0 HA SER A 9 102.106 6.651 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.218 6.662 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.619 6.162 -4.130 1.00 0.00 H new ATOM 0 HG SER A 9 104.623 3.975 -4.818 1.00 0.00 H new ATOM 169 N ASN A 10 101.345 5.807 -6.801 1.00 0.00 N ATOM 170 CA ASN A 10 100.650 5.223 -7.989 1.00 0.00 C ATOM 171 C ASN A 10 101.610 5.167 -9.178 1.00 0.00 C ATOM 172 O ASN A 10 102.046 6.186 -9.686 1.00 0.00 O ATOM 173 CB ASN A 10 99.491 6.176 -8.288 1.00 0.00 C ATOM 174 CG ASN A 10 98.491 6.157 -7.130 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.836 6.476 -6.010 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.257 5.797 -7.355 1.00 0.00 N ATOM 0 H ASN A 10 101.370 6.826 -6.774 1.00 0.00 H new ATOM 0 HA ASN A 10 100.301 4.207 -7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.869 7.187 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 10 98.996 5.881 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.582 5.784 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.967 5.529 -8.296 1.00 0.00 H new ATOM 183 N VAL A 11 101.939 3.982 -9.621 1.00 0.00 N ATOM 184 CA VAL A 11 102.835 3.834 -10.810 1.00 0.00 C ATOM 185 C VAL A 11 102.192 2.888 -11.825 1.00 0.00 C ATOM 186 O VAL A 11 101.304 2.124 -11.489 1.00 0.00 O ATOM 187 CB VAL A 11 104.154 3.249 -10.275 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.803 4.248 -9.314 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.896 1.930 -9.530 1.00 0.00 C ATOM 0 H VAL A 11 101.624 3.104 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 11 103.006 4.784 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 11 104.817 3.057 -11.119 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.737 3.834 -8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 11 105.007 5.180 -9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.128 4.442 -8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.840 1.531 -9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.224 2.111 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.441 1.211 -10.211 1.00 0.00 H new ATOM 199 N GLU A 12 102.628 2.930 -13.060 1.00 0.00 N ATOM 200 CA GLU A 12 102.137 1.940 -14.062 1.00 0.00 C ATOM 201 C GLU A 12 103.316 1.113 -14.580 1.00 0.00 C ATOM 202 O GLU A 12 104.419 1.605 -14.707 1.00 0.00 O ATOM 203 CB GLU A 12 101.519 2.785 -15.184 1.00 0.00 C ATOM 204 CG GLU A 12 100.938 1.872 -16.270 1.00 0.00 C ATOM 205 CD GLU A 12 100.221 2.720 -17.326 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.745 3.763 -17.681 1.00 0.00 O ATOM 207 OE2 GLU A 12 99.157 2.309 -17.760 1.00 0.00 O ATOM 0 H GLU A 12 103.302 3.608 -13.415 1.00 0.00 H new ATOM 0 HA GLU A 12 101.412 1.239 -13.648 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.736 3.425 -14.779 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.275 3.441 -15.615 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.734 1.291 -16.735 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.242 1.160 -15.827 1.00 0.00 H new ATOM 214 N VAL A 13 103.089 -0.140 -14.873 1.00 0.00 N ATOM 215 CA VAL A 13 104.177 -0.991 -15.436 1.00 0.00 C ATOM 216 C VAL A 13 103.644 -1.786 -16.626 1.00 0.00 C ATOM 217 O VAL A 13 102.515 -2.242 -16.612 1.00 0.00 O ATOM 218 CB VAL A 13 104.600 -1.927 -14.288 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.463 -2.891 -13.924 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.820 -2.742 -14.719 1.00 0.00 C ATOM 0 H VAL A 13 102.194 -0.612 -14.746 1.00 0.00 H new ATOM 0 HA VAL A 13 105.022 -0.405 -15.797 1.00 0.00 H new ATOM 0 HB VAL A 13 104.840 -1.317 -13.417 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.784 -3.542 -13.111 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.589 -2.321 -13.608 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.206 -3.496 -14.794 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.120 -3.405 -13.907 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.569 -3.336 -15.598 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.642 -2.067 -14.959 1.00 0.00 H new ATOM 230 N LEU A 14 104.437 -1.956 -17.652 1.00 0.00 N ATOM 231 CA LEU A 14 104.033 -2.908 -18.730 1.00 0.00 C ATOM 232 C LEU A 14 104.692 -4.257 -18.489 1.00 0.00 C ATOM 233 O LEU A 14 105.865 -4.334 -18.168 1.00 0.00 O ATOM 234 CB LEU A 14 104.511 -2.338 -20.076 1.00 0.00 C ATOM 235 CG LEU A 14 104.123 -0.856 -20.285 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.928 -0.622 -21.786 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.829 -0.483 -19.545 1.00 0.00 C ATOM 0 H LEU A 14 105.332 -1.486 -17.790 1.00 0.00 H new ATOM 0 HA LEU A 14 102.951 -3.037 -18.735 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.595 -2.435 -20.139 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.090 -2.934 -20.885 1.00 0.00 H new ATOM 0 HG LEU A 14 104.920 -0.231 -19.882 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.653 0.418 -21.959 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.856 -0.845 -22.313 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.136 -1.273 -22.156 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.598 0.567 -19.722 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.009 -1.101 -19.911 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.960 -0.650 -18.476 1.00 0.00 H new ATOM 249 N LEU A 15 103.949 -5.318 -18.640 1.00 0.00 N ATOM 250 CA LEU A 15 104.546 -6.674 -18.469 1.00 0.00 C ATOM 251 C LEU A 15 105.211 -7.118 -19.775 1.00 0.00 C ATOM 252 O LEU A 15 105.144 -6.436 -20.780 1.00 0.00 O ATOM 253 CB LEU A 15 103.379 -7.599 -18.112 1.00 0.00 C ATOM 254 CG LEU A 15 102.783 -7.186 -16.762 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.467 -7.932 -16.537 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.764 -7.539 -15.642 1.00 0.00 C ATOM 0 H LEU A 15 102.956 -5.306 -18.874 1.00 0.00 H new ATOM 0 HA LEU A 15 105.313 -6.690 -17.695 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.614 -7.551 -18.887 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.723 -8.632 -18.067 1.00 0.00 H new ATOM 0 HG LEU A 15 102.599 -6.112 -16.760 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.042 -7.639 -15.577 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.767 -7.683 -17.335 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.653 -9.006 -16.539 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.341 -7.245 -14.681 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.948 -8.613 -15.644 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.704 -7.010 -15.801 1.00 0.00 H new ATOM 268 N ASN A 16 105.852 -8.262 -19.759 1.00 0.00 N ATOM 269 CA ASN A 16 106.601 -8.747 -20.971 1.00 0.00 C ATOM 270 C ASN A 16 105.678 -8.863 -22.197 1.00 0.00 C ATOM 271 O ASN A 16 106.135 -8.847 -23.325 1.00 0.00 O ATOM 272 CB ASN A 16 107.165 -10.126 -20.586 1.00 0.00 C ATOM 273 CG ASN A 16 106.027 -11.079 -20.194 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.142 -11.345 -20.983 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.015 -11.606 -18.999 1.00 0.00 N ATOM 0 H ASN A 16 105.891 -8.888 -18.954 1.00 0.00 H new ATOM 0 HA ASN A 16 107.389 -8.047 -21.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.725 -10.543 -21.423 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.863 -10.022 -19.755 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.263 -12.240 -18.729 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.757 -11.383 -18.336 1.00 0.00 H new ATOM 282 N ASN A 17 104.390 -8.980 -21.982 1.00 0.00 N ATOM 283 CA ASN A 17 103.449 -9.185 -23.128 1.00 0.00 C ATOM 284 C ASN A 17 102.748 -7.870 -23.518 1.00 0.00 C ATOM 285 O ASN A 17 101.659 -7.887 -24.058 1.00 0.00 O ATOM 286 CB ASN A 17 102.431 -10.232 -22.641 1.00 0.00 C ATOM 287 CG ASN A 17 101.669 -9.719 -21.412 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.686 -9.019 -21.542 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.087 -10.044 -20.218 1.00 0.00 N ATOM 0 H ASN A 17 103.950 -8.942 -21.063 1.00 0.00 H new ATOM 0 HA ASN A 17 103.975 -9.520 -24.022 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.727 -10.462 -23.441 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.947 -11.160 -22.394 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.587 -9.710 -19.394 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.913 -10.632 -20.109 1.00 0.00 H new ATOM 296 N ASP A 18 103.363 -6.729 -23.246 1.00 0.00 N ATOM 297 CA ASP A 18 102.825 -5.415 -23.748 1.00 0.00 C ATOM 298 C ASP A 18 101.398 -5.176 -23.238 1.00 0.00 C ATOM 299 O ASP A 18 100.624 -4.468 -23.857 1.00 0.00 O ATOM 300 CB ASP A 18 102.844 -5.503 -25.283 1.00 0.00 C ATOM 301 CG ASP A 18 104.287 -5.635 -25.776 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.142 -4.946 -25.243 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.513 -6.425 -26.678 1.00 0.00 O ATOM 0 H ASP A 18 104.218 -6.656 -22.695 1.00 0.00 H new ATOM 0 HA ASP A 18 103.429 -4.581 -23.390 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.257 -6.359 -25.615 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.383 -4.614 -25.713 1.00 0.00 H new ATOM 308 N SER A 19 101.045 -5.763 -22.117 1.00 0.00 N ATOM 309 CA SER A 19 99.774 -5.377 -21.436 1.00 0.00 C ATOM 310 C SER A 19 100.095 -4.411 -20.298 1.00 0.00 C ATOM 311 O SER A 19 100.996 -4.649 -19.513 1.00 0.00 O ATOM 312 CB SER A 19 99.193 -6.681 -20.891 1.00 0.00 C ATOM 313 OG SER A 19 100.056 -7.196 -19.886 1.00 0.00 O ATOM 0 H SER A 19 101.584 -6.491 -21.648 1.00 0.00 H new ATOM 0 HA SER A 19 99.069 -4.881 -22.104 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.200 -6.505 -20.478 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.080 -7.407 -21.696 1.00 0.00 H new ATOM 0 HG SER A 19 100.286 -8.125 -20.097 1.00 0.00 H new ATOM 319 N LYS A 20 99.369 -3.328 -20.200 1.00 0.00 N ATOM 320 CA LYS A 20 99.756 -2.251 -19.237 1.00 0.00 C ATOM 321 C LYS A 20 98.762 -2.193 -18.073 1.00 0.00 C ATOM 322 O LYS A 20 97.563 -2.300 -18.263 1.00 0.00 O ATOM 323 CB LYS A 20 99.702 -0.935 -20.037 1.00 0.00 C ATOM 324 CG LYS A 20 100.355 -1.102 -21.421 1.00 0.00 C ATOM 325 CD LYS A 20 100.443 0.260 -22.113 1.00 0.00 C ATOM 326 CE LYS A 20 100.987 0.079 -23.531 1.00 0.00 C ATOM 327 NZ LYS A 20 101.123 1.460 -24.071 1.00 0.00 N ATOM 0 H LYS A 20 98.526 -3.142 -20.743 1.00 0.00 H new ATOM 0 HA LYS A 20 100.744 -2.431 -18.814 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.665 -0.620 -20.156 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.213 -0.147 -19.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.351 -1.533 -21.315 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.771 -1.793 -22.029 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.459 0.727 -22.147 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.092 0.927 -21.546 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.947 -0.438 -23.523 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.309 -0.518 -24.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.492 1.418 -25.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.193 1.925 -24.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 101.780 2.003 -23.475 1.00 0.00 H new ATOM 341 N ALA A 21 99.257 -2.024 -16.870 1.00 0.00 N ATOM 342 CA ALA A 21 98.354 -1.882 -15.686 1.00 0.00 C ATOM 343 C ALA A 21 98.925 -0.848 -14.709 1.00 0.00 C ATOM 344 O ALA A 21 100.128 -0.716 -14.572 1.00 0.00 O ATOM 345 CB ALA A 21 98.322 -3.269 -15.043 1.00 0.00 C ATOM 0 H ALA A 21 100.254 -1.978 -16.657 1.00 0.00 H new ATOM 0 HA ALA A 21 97.357 -1.540 -15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.678 -3.248 -14.164 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.934 -3.993 -15.759 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.331 -3.556 -14.747 1.00 0.00 H new ATOM 351 N ARG A 22 98.071 -0.119 -14.029 1.00 0.00 N ATOM 352 CA ARG A 22 98.558 0.939 -13.086 1.00 0.00 C ATOM 353 C ARG A 22 97.750 0.910 -11.785 1.00 0.00 C ATOM 354 O ARG A 22 96.587 0.553 -11.778 1.00 0.00 O ATOM 355 CB ARG A 22 98.357 2.274 -13.823 1.00 0.00 C ATOM 356 CG ARG A 22 96.880 2.471 -14.193 1.00 0.00 C ATOM 357 CD ARG A 22 96.738 3.696 -15.103 1.00 0.00 C ATOM 358 NE ARG A 22 96.701 4.875 -14.178 1.00 0.00 N ATOM 359 CZ ARG A 22 96.268 6.054 -14.584 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.856 6.250 -15.816 1.00 0.00 N ATOM 361 NH2 ARG A 22 96.249 7.050 -13.741 1.00 0.00 N ATOM 0 H ARG A 22 97.057 -0.211 -14.086 1.00 0.00 H new ATOM 0 HA ARG A 22 99.602 0.787 -12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.692 3.098 -13.193 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.969 2.293 -14.725 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.500 1.583 -14.699 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.283 2.604 -13.291 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.574 3.768 -15.799 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.829 3.638 -15.702 1.00 0.00 H new ATOM 0 HE ARG A 22 97.017 4.764 -13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.866 5.481 -16.486 1.00 0.00 H new ATOM 0 HH12 ARG A 22 95.526 7.172 -16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.566 6.912 -12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 22 95.917 7.966 -14.042 1.00 0.00 H new ATOM 375 N GLY A 23 98.365 1.286 -10.688 1.00 0.00 N ATOM 376 CA GLY A 23 97.646 1.281 -9.378 1.00 0.00 C ATOM 377 C GLY A 23 98.604 1.732 -8.274 1.00 0.00 C ATOM 378 O GLY A 23 99.709 2.163 -8.546 1.00 0.00 O ATOM 0 H GLY A 23 99.336 1.596 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.783 1.946 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.268 0.282 -9.161 1.00 0.00 H new ATOM 382 N VAL A 24 98.191 1.636 -7.034 1.00 0.00 N ATOM 383 CA VAL A 24 99.065 2.092 -5.907 1.00 0.00 C ATOM 384 C VAL A 24 99.940 0.926 -5.430 1.00 0.00 C ATOM 385 O VAL A 24 99.496 -0.202 -5.361 1.00 0.00 O ATOM 386 CB VAL A 24 98.108 2.547 -4.790 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.915 3.061 -3.592 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.203 3.677 -5.297 1.00 0.00 C ATOM 0 H VAL A 24 97.285 1.261 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 24 99.732 2.901 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 24 97.497 1.696 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.233 3.382 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.555 2.263 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.532 3.904 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.531 3.991 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.816 4.523 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.618 3.322 -6.145 1.00 0.00 H new ATOM 398 N ILE A 25 101.178 1.197 -5.104 1.00 0.00 N ATOM 399 CA ILE A 25 102.090 0.111 -4.614 1.00 0.00 C ATOM 400 C ILE A 25 101.823 -0.167 -3.129 1.00 0.00 C ATOM 401 O ILE A 25 101.620 0.743 -2.347 1.00 0.00 O ATOM 402 CB ILE A 25 103.512 0.661 -4.837 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.773 0.779 -6.343 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.563 -0.266 -4.205 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.027 1.623 -6.587 1.00 0.00 C ATOM 0 H ILE A 25 101.600 2.124 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 25 101.942 -0.834 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 25 103.588 1.640 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.900 -0.212 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.915 1.236 -6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.559 0.143 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.382 -0.344 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.495 -1.255 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.208 1.704 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.883 2.619 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.884 1.148 -6.109 1.00 0.00 H new ATOM 417 N THR A 26 101.824 -1.422 -2.740 1.00 0.00 N ATOM 418 CA THR A 26 101.567 -1.770 -1.308 1.00 0.00 C ATOM 419 C THR A 26 102.697 -2.629 -0.724 1.00 0.00 C ATOM 420 O THR A 26 103.043 -2.483 0.434 1.00 0.00 O ATOM 421 CB THR A 26 100.253 -2.553 -1.317 1.00 0.00 C ATOM 422 OG1 THR A 26 100.346 -3.623 -2.245 1.00 0.00 O ATOM 423 CG2 THR A 26 99.102 -1.626 -1.715 1.00 0.00 C ATOM 0 H THR A 26 101.992 -2.219 -3.354 1.00 0.00 H new ATOM 0 HA THR A 26 101.515 -0.876 -0.687 1.00 0.00 H new ATOM 0 HB THR A 26 100.064 -2.952 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.458 -3.263 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.168 -2.188 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.030 -0.808 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.288 -1.222 -2.710 1.00 0.00 H new ATOM 431 N ASN A 27 103.278 -3.520 -1.501 1.00 0.00 N ATOM 432 CA ASN A 27 104.263 -4.484 -0.915 1.00 0.00 C ATOM 433 C ASN A 27 105.486 -4.641 -1.822 1.00 0.00 C ATOM 434 O ASN A 27 105.388 -4.566 -3.031 1.00 0.00 O ATOM 435 CB ASN A 27 103.503 -5.807 -0.812 1.00 0.00 C ATOM 436 CG ASN A 27 104.279 -6.772 0.086 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.440 -6.528 1.265 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.772 -7.867 -0.426 1.00 0.00 N ATOM 0 H ASN A 27 103.113 -3.618 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 27 104.638 -4.143 0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.507 -5.636 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.372 -6.241 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.292 -8.517 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.637 -8.073 -1.416 1.00 0.00 H new ATOM 445 N PHE A 28 106.636 -4.854 -1.233 1.00 0.00 N ATOM 446 CA PHE A 28 107.861 -5.167 -2.029 1.00 0.00 C ATOM 447 C PHE A 28 108.783 -6.076 -1.214 1.00 0.00 C ATOM 448 O PHE A 28 109.093 -5.793 -0.071 1.00 0.00 O ATOM 449 CB PHE A 28 108.525 -3.817 -2.292 1.00 0.00 C ATOM 450 CG PHE A 28 109.641 -3.884 -3.306 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.349 -4.169 -4.661 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.980 -3.660 -2.902 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.396 -4.231 -5.614 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.027 -3.721 -3.853 1.00 0.00 C ATOM 455 CZ PHE A 28 111.735 -4.007 -5.210 1.00 0.00 C ATOM 0 H PHE A 28 106.779 -4.824 -0.224 1.00 0.00 H new ATOM 0 HA PHE A 28 107.634 -5.687 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.771 -3.111 -2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.919 -3.426 -1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.328 -4.339 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.202 -3.443 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.173 -4.449 -6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.048 -3.550 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.533 -4.054 -5.936 1.00 0.00 H new ATOM 465 N ASP A 29 109.222 -7.164 -1.796 1.00 0.00 N ATOM 466 CA ASP A 29 110.059 -8.145 -1.041 1.00 0.00 C ATOM 467 C ASP A 29 111.403 -8.335 -1.744 1.00 0.00 C ATOM 468 O ASP A 29 111.455 -8.728 -2.893 1.00 0.00 O ATOM 469 CB ASP A 29 109.252 -9.445 -1.058 1.00 0.00 C ATOM 470 CG ASP A 29 109.908 -10.469 -0.130 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.693 -10.376 1.067 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.612 -11.328 -0.633 1.00 0.00 O ATOM 0 H ASP A 29 109.035 -7.416 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 29 110.276 -7.815 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.228 -9.253 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.200 -9.840 -2.073 1.00 0.00 H new ATOM 477 N SER A 30 112.486 -8.057 -1.061 1.00 0.00 N ATOM 478 CA SER A 30 113.838 -8.175 -1.698 1.00 0.00 C ATOM 479 C SER A 30 114.193 -9.646 -1.948 1.00 0.00 C ATOM 480 O SER A 30 114.876 -9.970 -2.902 1.00 0.00 O ATOM 481 CB SER A 30 114.815 -7.557 -0.696 1.00 0.00 C ATOM 482 OG SER A 30 114.397 -6.233 -0.391 1.00 0.00 O ATOM 0 H SER A 30 112.494 -7.753 -0.088 1.00 0.00 H new ATOM 0 HA SER A 30 113.871 -7.673 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.851 -8.158 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.823 -7.546 -1.112 1.00 0.00 H new ATOM 0 HG SER A 30 115.019 -5.834 0.252 1.00 0.00 H new ATOM 488 N SER A 31 113.733 -10.536 -1.099 1.00 0.00 N ATOM 489 CA SER A 31 114.131 -11.980 -1.219 1.00 0.00 C ATOM 490 C SER A 31 113.655 -12.568 -2.552 1.00 0.00 C ATOM 491 O SER A 31 114.393 -13.265 -3.226 1.00 0.00 O ATOM 492 CB SER A 31 113.445 -12.691 -0.049 1.00 0.00 C ATOM 493 OG SER A 31 113.713 -11.981 1.153 1.00 0.00 O ATOM 0 H SER A 31 113.099 -10.327 -0.328 1.00 0.00 H new ATOM 0 HA SER A 31 115.214 -12.100 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.370 -12.745 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.807 -13.716 0.032 1.00 0.00 H new ATOM 0 HG SER A 31 113.274 -12.432 1.904 1.00 0.00 H new ATOM 499 N ASN A 32 112.431 -12.295 -2.935 1.00 0.00 N ATOM 500 CA ASN A 32 111.896 -12.848 -4.222 1.00 0.00 C ATOM 501 C ASN A 32 111.391 -11.726 -5.147 1.00 0.00 C ATOM 502 O ASN A 32 110.742 -11.993 -6.139 1.00 0.00 O ATOM 503 CB ASN A 32 110.737 -13.757 -3.809 1.00 0.00 C ATOM 504 CG ASN A 32 111.277 -14.960 -3.031 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.338 -15.469 -3.333 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.585 -15.439 -2.033 1.00 0.00 N ATOM 0 H ASN A 32 111.777 -11.712 -2.412 1.00 0.00 H new ATOM 0 HA ASN A 32 112.667 -13.380 -4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.028 -13.202 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.195 -14.096 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.935 -16.240 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.694 -15.012 -1.779 1.00 0.00 H new ATOM 513 N SER A 33 111.683 -10.477 -4.827 1.00 0.00 N ATOM 514 CA SER A 33 111.224 -9.315 -5.671 1.00 0.00 C ATOM 515 C SER A 33 109.735 -9.441 -6.046 1.00 0.00 C ATOM 516 O SER A 33 109.383 -9.615 -7.200 1.00 0.00 O ATOM 517 CB SER A 33 112.124 -9.343 -6.914 1.00 0.00 C ATOM 518 OG SER A 33 111.703 -10.377 -7.795 1.00 0.00 O ATOM 0 H SER A 33 112.227 -10.212 -4.006 1.00 0.00 H new ATOM 0 HA SER A 33 111.306 -8.369 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 33 112.084 -8.381 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 33 113.161 -9.505 -6.619 1.00 0.00 H new ATOM 0 HG SER A 33 110.976 -10.885 -7.379 1.00 0.00 H new ATOM 524 N ILE A 34 108.863 -9.349 -5.071 1.00 0.00 N ATOM 525 CA ILE A 34 107.396 -9.479 -5.348 1.00 0.00 C ATOM 526 C ILE A 34 106.692 -8.151 -5.042 1.00 0.00 C ATOM 527 O ILE A 34 106.915 -7.547 -4.009 1.00 0.00 O ATOM 528 CB ILE A 34 106.892 -10.593 -4.411 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.712 -11.889 -4.617 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.410 -10.874 -4.686 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.567 -12.421 -6.055 1.00 0.00 C ATOM 0 H ILE A 34 109.104 -9.189 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 34 107.193 -9.720 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 34 107.015 -10.260 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.763 -11.695 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.378 -12.649 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.060 -11.663 -4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.830 -9.968 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.286 -11.191 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.155 -13.332 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.519 -12.639 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.925 -11.669 -6.759 1.00 0.00 H new ATOM 543 N LEU A 35 105.845 -7.700 -5.936 1.00 0.00 N ATOM 544 CA LEU A 35 105.205 -6.358 -5.771 1.00 0.00 C ATOM 545 C LEU A 35 103.681 -6.487 -5.825 1.00 0.00 C ATOM 546 O LEU A 35 103.129 -7.014 -6.773 1.00 0.00 O ATOM 547 CB LEU A 35 105.719 -5.541 -6.960 1.00 0.00 C ATOM 548 CG LEU A 35 105.245 -4.090 -6.842 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.198 -3.309 -5.935 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.225 -3.451 -8.233 1.00 0.00 C ATOM 0 H LEU A 35 105.569 -8.207 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 35 105.446 -5.893 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.808 -5.575 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.359 -5.975 -7.893 1.00 0.00 H new ATOM 0 HG LEU A 35 104.243 -4.068 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.858 -2.277 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.214 -3.765 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.202 -3.328 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.888 -2.417 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.228 -3.474 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.544 -4.006 -8.879 1.00 0.00 H new ATOM 562 N GLN A 36 103.004 -6.007 -4.812 1.00 0.00 N ATOM 563 CA GLN A 36 101.513 -5.986 -4.841 1.00 0.00 C ATOM 564 C GLN A 36 101.021 -4.573 -5.156 1.00 0.00 C ATOM 565 O GLN A 36 101.435 -3.612 -4.532 1.00 0.00 O ATOM 566 CB GLN A 36 101.079 -6.407 -3.438 1.00 0.00 C ATOM 567 CG GLN A 36 101.391 -7.890 -3.230 1.00 0.00 C ATOM 568 CD GLN A 36 100.943 -8.318 -1.830 1.00 0.00 C ATOM 569 OE1 GLN A 36 99.924 -7.872 -1.342 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.668 -9.172 -1.161 1.00 0.00 N ATOM 0 H GLN A 36 103.424 -5.628 -3.963 1.00 0.00 H new ATOM 0 HA GLN A 36 101.102 -6.647 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.598 -5.807 -2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.012 -6.227 -3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.881 -8.489 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.460 -8.068 -3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.524 -9.546 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.379 -9.465 -0.228 1.00 0.00 H new ATOM 579 N LEU A 37 100.142 -4.443 -6.120 1.00 0.00 N ATOM 580 CA LEU A 37 99.580 -3.102 -6.458 1.00 0.00 C ATOM 581 C LEU A 37 98.103 -3.040 -6.066 1.00 0.00 C ATOM 582 O LEU A 37 97.293 -3.809 -6.552 1.00 0.00 O ATOM 583 CB LEU A 37 99.734 -2.968 -7.975 1.00 0.00 C ATOM 584 CG LEU A 37 101.218 -2.888 -8.342 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.386 -3.148 -9.841 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.756 -1.493 -8.007 1.00 0.00 C ATOM 0 H LEU A 37 99.789 -5.213 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 37 100.090 -2.298 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.273 -3.821 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.215 -2.075 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 37 101.771 -3.637 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.442 -3.091 -10.104 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.004 -4.140 -10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.831 -2.398 -10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.813 -1.438 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.202 -0.744 -8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.636 -1.303 -6.940 1.00 0.00 H new ATOM 598 N ARG A 38 97.753 -2.130 -5.192 1.00 0.00 N ATOM 599 CA ARG A 38 96.316 -1.964 -4.809 1.00 0.00 C ATOM 600 C ARG A 38 95.688 -0.833 -5.627 1.00 0.00 C ATOM 601 O ARG A 38 96.181 0.280 -5.640 1.00 0.00 O ATOM 602 CB ARG A 38 96.337 -1.614 -3.320 1.00 0.00 C ATOM 603 CG ARG A 38 94.906 -1.590 -2.776 1.00 0.00 C ATOM 604 CD ARG A 38 94.921 -1.138 -1.311 1.00 0.00 C ATOM 605 NE ARG A 38 95.631 -2.227 -0.565 1.00 0.00 N ATOM 606 CZ ARG A 38 96.114 -2.028 0.647 1.00 0.00 C ATOM 607 NH1 ARG A 38 95.989 -0.872 1.258 1.00 0.00 N ATOM 608 NH2 ARG A 38 96.729 -3.006 1.255 1.00 0.00 N ATOM 0 H ARG A 38 98.400 -1.494 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 38 95.726 -2.860 -5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.932 -2.345 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.809 -0.643 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.292 -0.913 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.459 -2.581 -2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.437 -0.184 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 38 93.908 -0.998 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 38 95.743 -3.141 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 38 95.509 -0.100 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 38 96.372 -0.746 2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.831 -3.910 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 38 97.107 -2.866 2.192 1.00 0.00 H new ATOM 622 N LEU A 39 94.605 -1.112 -6.309 1.00 0.00 N ATOM 623 CA LEU A 39 94.003 -0.096 -7.224 1.00 0.00 C ATOM 624 C LEU A 39 92.780 0.563 -6.578 1.00 0.00 C ATOM 625 O LEU A 39 92.066 -0.051 -5.803 1.00 0.00 O ATOM 626 CB LEU A 39 93.609 -0.888 -8.476 1.00 0.00 C ATOM 627 CG LEU A 39 93.234 0.065 -9.622 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.418 0.972 -9.970 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.874 -0.764 -10.854 1.00 0.00 C ATOM 0 H LEU A 39 94.111 -2.003 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 39 94.693 0.715 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.436 -1.528 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.767 -1.542 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 39 92.390 0.681 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.137 1.641 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.695 1.560 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.266 0.361 -10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.606 -0.099 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.730 -1.373 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.029 -1.413 -10.622 1.00 0.00 H new ATOM 641 N ALA A 40 92.536 1.812 -6.906 1.00 0.00 N ATOM 642 CA ALA A 40 91.441 2.591 -6.233 1.00 0.00 C ATOM 643 C ALA A 40 90.055 1.986 -6.514 1.00 0.00 C ATOM 644 O ALA A 40 89.075 2.384 -5.910 1.00 0.00 O ATOM 645 CB ALA A 40 91.529 4.002 -6.819 1.00 0.00 C ATOM 0 H ALA A 40 93.052 2.330 -7.617 1.00 0.00 H new ATOM 0 HA ALA A 40 91.564 2.580 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.757 4.630 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.510 4.425 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.382 3.958 -7.898 1.00 0.00 H new ATOM 651 N ASN A 41 89.956 1.036 -7.418 1.00 0.00 N ATOM 652 CA ASN A 41 88.645 0.349 -7.659 1.00 0.00 C ATOM 653 C ASN A 41 88.446 -0.823 -6.676 1.00 0.00 C ATOM 654 O ASN A 41 87.814 -1.807 -7.012 1.00 0.00 O ATOM 655 CB ASN A 41 88.731 -0.177 -9.096 1.00 0.00 C ATOM 656 CG ASN A 41 88.778 1.001 -10.074 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.133 2.008 -9.863 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.522 0.914 -11.143 1.00 0.00 N ATOM 0 H ASN A 41 90.727 0.708 -7.999 1.00 0.00 H new ATOM 0 HA ASN A 41 87.804 1.026 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.620 -0.796 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.871 -0.810 -9.314 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.562 1.692 -11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.064 0.068 -11.320 1.00 0.00 H new ATOM 665 N ASP A 42 88.983 -0.733 -5.466 1.00 0.00 N ATOM 666 CA ASP A 42 88.780 -1.814 -4.437 1.00 0.00 C ATOM 667 C ASP A 42 89.287 -3.161 -4.968 1.00 0.00 C ATOM 668 O ASP A 42 88.785 -4.207 -4.599 1.00 0.00 O ATOM 669 CB ASP A 42 87.267 -1.874 -4.167 1.00 0.00 C ATOM 670 CG ASP A 42 86.794 -0.545 -3.571 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.495 -0.013 -2.726 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.738 -0.082 -3.970 1.00 0.00 O ATOM 0 H ASP A 42 89.556 0.050 -5.151 1.00 0.00 H new ATOM 0 HA ASP A 42 89.335 -1.601 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.731 -2.079 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.043 -2.691 -3.481 1.00 0.00 H new ATOM 677 N SER A 43 90.280 -3.143 -5.835 1.00 0.00 N ATOM 678 CA SER A 43 90.862 -4.424 -6.340 1.00 0.00 C ATOM 679 C SER A 43 92.356 -4.487 -6.013 1.00 0.00 C ATOM 680 O SER A 43 93.059 -3.498 -6.107 1.00 0.00 O ATOM 681 CB SER A 43 90.643 -4.390 -7.853 1.00 0.00 C ATOM 682 OG SER A 43 89.249 -4.325 -8.123 1.00 0.00 O ATOM 0 H SER A 43 90.707 -2.296 -6.210 1.00 0.00 H new ATOM 0 HA SER A 43 90.399 -5.299 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.150 -3.528 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.074 -5.278 -8.315 1.00 0.00 H new ATOM 0 HG SER A 43 88.910 -3.438 -7.881 1.00 0.00 H new ATOM 688 N THR A 44 92.841 -5.644 -5.630 1.00 0.00 N ATOM 689 CA THR A 44 94.291 -5.784 -5.289 1.00 0.00 C ATOM 690 C THR A 44 94.898 -6.977 -6.035 1.00 0.00 C ATOM 691 O THR A 44 94.246 -7.985 -6.242 1.00 0.00 O ATOM 692 CB THR A 44 94.332 -6.003 -3.766 1.00 0.00 C ATOM 693 OG1 THR A 44 95.683 -6.141 -3.351 1.00 0.00 O ATOM 694 CG2 THR A 44 93.547 -7.264 -3.371 1.00 0.00 C ATOM 0 H THR A 44 92.293 -6.499 -5.539 1.00 0.00 H new ATOM 0 HA THR A 44 94.870 -4.908 -5.580 1.00 0.00 H new ATOM 0 HB THR A 44 93.873 -5.143 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.715 -6.279 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.591 -7.396 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.508 -7.158 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.985 -8.134 -3.861 1.00 0.00 H new ATOM 702 N LYS A 45 96.140 -6.866 -6.436 1.00 0.00 N ATOM 703 CA LYS A 45 96.793 -7.980 -7.191 1.00 0.00 C ATOM 704 C LYS A 45 98.268 -8.096 -6.805 1.00 0.00 C ATOM 705 O LYS A 45 98.944 -7.105 -6.595 1.00 0.00 O ATOM 706 CB LYS A 45 96.652 -7.598 -8.663 1.00 0.00 C ATOM 707 CG LYS A 45 95.212 -7.841 -9.114 1.00 0.00 C ATOM 708 CD LYS A 45 95.094 -7.579 -10.617 1.00 0.00 C ATOM 709 CE LYS A 45 93.632 -7.722 -11.048 1.00 0.00 C ATOM 710 NZ LYS A 45 93.509 -6.878 -12.269 1.00 0.00 N ATOM 0 H LYS A 45 96.731 -6.051 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 45 96.335 -8.945 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.918 -6.551 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.339 -8.187 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.918 -8.866 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.533 -7.187 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.457 -6.578 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.717 -8.282 -11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.382 -8.762 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 45 92.954 -7.384 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.533 -6.924 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 93.747 -5.893 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.161 -7.227 -13.000 1.00 0.00 H new ATOM 724 N SER A 46 98.768 -9.304 -6.713 1.00 0.00 N ATOM 725 CA SER A 46 100.214 -9.505 -6.402 1.00 0.00 C ATOM 726 C SER A 46 100.953 -9.990 -7.652 1.00 0.00 C ATOM 727 O SER A 46 100.629 -11.022 -8.210 1.00 0.00 O ATOM 728 CB SER A 46 100.241 -10.578 -5.313 1.00 0.00 C ATOM 729 OG SER A 46 99.781 -11.809 -5.856 1.00 0.00 O ATOM 0 H SER A 46 98.232 -10.163 -6.841 1.00 0.00 H new ATOM 0 HA SER A 46 100.701 -8.586 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.253 -10.694 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.611 -10.279 -4.475 1.00 0.00 H new ATOM 0 HG SER A 46 99.758 -11.747 -6.834 1.00 0.00 H new ATOM 735 N ILE A 47 101.943 -9.251 -8.094 1.00 0.00 N ATOM 736 CA ILE A 47 102.688 -9.642 -9.329 1.00 0.00 C ATOM 737 C ILE A 47 104.192 -9.626 -9.043 1.00 0.00 C ATOM 738 O ILE A 47 104.717 -8.661 -8.517 1.00 0.00 O ATOM 739 CB ILE A 47 102.317 -8.585 -10.385 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.801 -8.592 -10.621 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.028 -8.900 -11.706 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.403 -7.364 -11.442 1.00 0.00 C ATOM 0 H ILE A 47 102.267 -8.392 -7.650 1.00 0.00 H new ATOM 0 HA ILE A 47 102.434 -10.645 -9.671 1.00 0.00 H new ATOM 0 HB ILE A 47 102.627 -7.604 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.509 -9.502 -11.145 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.274 -8.590 -9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.762 -8.149 -12.450 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.107 -8.890 -11.550 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.721 -9.885 -12.059 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.326 -7.371 -11.608 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.681 -6.459 -10.901 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.919 -7.386 -12.402 1.00 0.00 H new ATOM 754 N VAL A 48 104.884 -10.684 -9.386 1.00 0.00 N ATOM 755 CA VAL A 48 106.362 -10.721 -9.152 1.00 0.00 C ATOM 756 C VAL A 48 107.054 -9.775 -10.138 1.00 0.00 C ATOM 757 O VAL A 48 106.718 -9.729 -11.304 1.00 0.00 O ATOM 758 CB VAL A 48 106.800 -12.178 -9.389 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.286 -12.333 -9.032 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.955 -13.137 -8.529 1.00 0.00 C ATOM 0 H VAL A 48 104.492 -11.521 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 48 106.627 -10.400 -8.145 1.00 0.00 H new ATOM 0 HB VAL A 48 106.650 -12.426 -10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.595 -13.365 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.882 -11.669 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.437 -12.075 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.276 -14.163 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.087 -12.893 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.903 -13.034 -8.796 1.00 0.00 H new ATOM 770 N THR A 49 108.019 -9.023 -9.672 1.00 0.00 N ATOM 771 CA THR A 49 108.628 -7.948 -10.525 1.00 0.00 C ATOM 772 C THR A 49 109.296 -8.535 -11.773 1.00 0.00 C ATOM 773 O THR A 49 109.449 -7.859 -12.773 1.00 0.00 O ATOM 774 CB THR A 49 109.668 -7.253 -9.638 1.00 0.00 C ATOM 775 OG1 THR A 49 110.614 -8.209 -9.182 1.00 0.00 O ATOM 776 CG2 THR A 49 108.974 -6.602 -8.439 1.00 0.00 C ATOM 0 H THR A 49 108.415 -9.105 -8.735 1.00 0.00 H new ATOM 0 HA THR A 49 107.867 -7.254 -10.882 1.00 0.00 H new ATOM 0 HB THR A 49 110.179 -6.483 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.202 -8.775 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.717 -6.110 -7.812 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.252 -5.866 -8.792 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.458 -7.366 -7.858 1.00 0.00 H new ATOM 784 N LYS A 50 109.698 -9.783 -11.727 1.00 0.00 N ATOM 785 CA LYS A 50 110.443 -10.384 -12.883 1.00 0.00 C ATOM 786 C LYS A 50 109.617 -10.292 -14.174 1.00 0.00 C ATOM 787 O LYS A 50 110.163 -10.282 -15.263 1.00 0.00 O ATOM 788 CB LYS A 50 110.685 -11.850 -12.497 1.00 0.00 C ATOM 789 CG LYS A 50 111.593 -12.524 -13.533 1.00 0.00 C ATOM 790 CD LYS A 50 111.540 -14.042 -13.343 1.00 0.00 C ATOM 791 CE LYS A 50 112.555 -14.709 -14.275 1.00 0.00 C ATOM 792 NZ LYS A 50 112.126 -16.133 -14.352 1.00 0.00 N ATOM 0 H LYS A 50 109.543 -10.413 -10.940 1.00 0.00 H new ATOM 0 HA LYS A 50 111.377 -9.857 -13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.144 -11.903 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.734 -12.380 -12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.272 -12.261 -14.541 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.617 -12.168 -13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 50 111.760 -14.297 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.537 -14.411 -13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.553 -14.242 -15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.568 -14.622 -13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 112.774 -16.658 -14.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 112.144 -16.553 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 111.161 -16.184 -14.735 1.00 0.00 H new ATOM 806 N ASP A 51 108.313 -10.228 -14.061 1.00 0.00 N ATOM 807 CA ASP A 51 107.466 -10.051 -15.285 1.00 0.00 C ATOM 808 C ASP A 51 107.285 -8.560 -15.630 1.00 0.00 C ATOM 809 O ASP A 51 106.488 -8.218 -16.486 1.00 0.00 O ATOM 810 CB ASP A 51 106.115 -10.719 -14.971 1.00 0.00 C ATOM 811 CG ASP A 51 105.444 -10.073 -13.751 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.339 -8.858 -13.722 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.040 -10.811 -12.867 1.00 0.00 O ATOM 0 H ASP A 51 107.800 -10.290 -13.182 1.00 0.00 H new ATOM 0 HA ASP A 51 107.937 -10.506 -16.157 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.457 -10.638 -15.836 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.267 -11.782 -14.785 1.00 0.00 H new ATOM 818 N ILE A 52 108.011 -7.672 -14.979 1.00 0.00 N ATOM 819 CA ILE A 52 107.955 -6.224 -15.371 1.00 0.00 C ATOM 820 C ILE A 52 108.800 -5.994 -16.627 1.00 0.00 C ATOM 821 O ILE A 52 110.011 -6.116 -16.600 1.00 0.00 O ATOM 822 CB ILE A 52 108.533 -5.443 -14.175 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.623 -5.635 -12.949 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.636 -3.943 -14.520 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.252 -4.962 -11.723 1.00 0.00 C ATOM 0 H ILE A 52 108.634 -7.887 -14.200 1.00 0.00 H new ATOM 0 HA ILE A 52 106.940 -5.900 -15.599 1.00 0.00 H new ATOM 0 HB ILE A 52 109.530 -5.821 -13.950 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.639 -5.208 -13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.477 -6.698 -12.756 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.046 -3.401 -13.668 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.290 -3.812 -15.382 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.645 -3.555 -14.755 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.603 -5.101 -10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.226 -5.409 -11.522 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.375 -3.896 -11.916 1.00 0.00 H new ATOM 837 N LYS A 53 108.165 -5.662 -17.725 1.00 0.00 N ATOM 838 CA LYS A 53 108.935 -5.242 -18.937 1.00 0.00 C ATOM 839 C LYS A 53 109.332 -3.769 -18.825 1.00 0.00 C ATOM 840 O LYS A 53 110.424 -3.385 -19.204 1.00 0.00 O ATOM 841 CB LYS A 53 107.987 -5.449 -20.119 1.00 0.00 C ATOM 842 CG LYS A 53 108.740 -5.221 -21.433 1.00 0.00 C ATOM 843 CD LYS A 53 107.775 -5.383 -22.610 1.00 0.00 C ATOM 844 CE LYS A 53 108.559 -5.342 -23.924 1.00 0.00 C ATOM 845 NZ LYS A 53 107.659 -5.977 -24.927 1.00 0.00 N ATOM 0 H LYS A 53 107.151 -5.664 -17.834 1.00 0.00 H new ATOM 0 HA LYS A 53 109.854 -5.816 -19.053 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.576 -6.458 -20.095 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.145 -4.760 -20.047 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.179 -4.224 -21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.561 -5.932 -21.522 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.237 -6.327 -22.525 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.029 -4.588 -22.594 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.805 -4.318 -24.206 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.501 -5.884 -23.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.021 -5.793 -25.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.624 -7.003 -24.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.703 -5.579 -24.837 1.00 0.00 H new ATOM 859 N ASP A 54 108.455 -2.943 -18.306 1.00 0.00 N ATOM 860 CA ASP A 54 108.729 -1.467 -18.287 1.00 0.00 C ATOM 861 C ASP A 54 107.994 -0.789 -17.130 1.00 0.00 C ATOM 862 O ASP A 54 106.904 -1.184 -16.763 1.00 0.00 O ATOM 863 CB ASP A 54 108.204 -0.942 -19.625 1.00 0.00 C ATOM 864 CG ASP A 54 109.117 -1.412 -20.760 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.321 -1.272 -20.622 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.596 -1.903 -21.748 1.00 0.00 O ATOM 0 H ASP A 54 107.564 -3.224 -17.896 1.00 0.00 H new ATOM 0 HA ASP A 54 109.790 -1.260 -18.149 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.188 -1.298 -19.792 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.161 0.147 -19.607 1.00 0.00 H new ATOM 871 N LEU A 55 108.584 0.236 -16.557 1.00 0.00 N ATOM 872 CA LEU A 55 107.967 0.908 -15.370 1.00 0.00 C ATOM 873 C LEU A 55 107.845 2.419 -15.601 1.00 0.00 C ATOM 874 O LEU A 55 108.696 3.029 -16.221 1.00 0.00 O ATOM 875 CB LEU A 55 108.932 0.640 -14.213 1.00 0.00 C ATOM 876 CG LEU A 55 108.801 -0.812 -13.750 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.115 -1.267 -13.111 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.674 -0.918 -12.719 1.00 0.00 C ATOM 0 H LEU A 55 109.471 0.636 -16.864 1.00 0.00 H new ATOM 0 HA LEU A 55 106.963 0.531 -15.175 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.956 0.839 -14.529 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.717 1.315 -13.385 1.00 0.00 H new ATOM 0 HG LEU A 55 108.575 -1.446 -14.607 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.020 -2.302 -12.782 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.920 -1.191 -13.842 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.342 -0.633 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.580 -1.952 -12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.903 -0.283 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.736 -0.594 -13.171 1.00 0.00 H new ATOM 890 N ARG A 56 106.790 3.021 -15.106 1.00 0.00 N ATOM 891 CA ARG A 56 106.681 4.512 -15.134 1.00 0.00 C ATOM 892 C ARG A 56 105.872 5.004 -13.924 1.00 0.00 C ATOM 893 O ARG A 56 105.117 4.255 -13.331 1.00 0.00 O ATOM 894 CB ARG A 56 105.967 4.840 -16.458 1.00 0.00 C ATOM 895 CG ARG A 56 104.498 4.384 -16.410 1.00 0.00 C ATOM 896 CD ARG A 56 104.043 3.929 -17.801 1.00 0.00 C ATOM 897 NE ARG A 56 104.131 5.146 -18.673 1.00 0.00 N ATOM 898 CZ ARG A 56 104.132 5.049 -19.989 1.00 0.00 C ATOM 899 NH1 ARG A 56 104.049 3.887 -20.596 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.214 6.137 -20.706 1.00 0.00 N ATOM 0 H ARG A 56 105.997 2.540 -14.682 1.00 0.00 H new ATOM 0 HA ARG A 56 107.652 5.003 -15.077 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.014 5.913 -16.647 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.479 4.348 -17.285 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.386 3.567 -15.697 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.866 5.201 -16.061 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.679 3.129 -18.179 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.025 3.540 -17.773 1.00 0.00 H new ATOM 0 HE ARG A 56 104.191 6.068 -18.240 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.981 3.029 -20.048 1.00 0.00 H new ATOM 0 HH12 ARG A 56 104.052 3.843 -21.615 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.276 7.046 -20.248 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.216 6.078 -21.724 1.00 0.00 H new ATOM 914 N ILE A 57 106.027 6.253 -13.559 1.00 0.00 N ATOM 915 CA ILE A 57 105.189 6.831 -12.462 1.00 0.00 C ATOM 916 C ILE A 57 104.231 7.873 -13.052 1.00 0.00 C ATOM 917 O ILE A 57 104.639 8.753 -13.786 1.00 0.00 O ATOM 918 CB ILE A 57 106.178 7.481 -11.481 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.159 6.421 -10.955 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.409 8.082 -10.298 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.286 7.099 -10.170 1.00 0.00 C ATOM 0 H ILE A 57 106.699 6.899 -13.974 1.00 0.00 H new ATOM 0 HA ILE A 57 104.581 6.079 -11.958 1.00 0.00 H new ATOM 0 HB ILE A 57 106.730 8.266 -11.999 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.634 5.712 -10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.574 5.852 -11.787 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.112 8.542 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.712 8.837 -10.663 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.856 7.295 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.978 6.342 -9.800 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.819 7.790 -10.823 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.864 7.648 -9.328 1.00 0.00 H new ATOM 933 N LEU A 58 102.962 7.775 -12.735 1.00 0.00 N ATOM 934 CA LEU A 58 101.949 8.666 -13.389 1.00 0.00 C ATOM 935 C LEU A 58 101.998 10.074 -12.772 1.00 0.00 C ATOM 936 O LEU A 58 102.356 10.223 -11.620 1.00 0.00 O ATOM 937 CB LEU A 58 100.590 8.009 -13.124 1.00 0.00 C ATOM 938 CG LEU A 58 100.534 6.641 -13.810 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.389 5.818 -13.217 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.306 6.826 -15.312 1.00 0.00 C ATOM 0 H LEU A 58 102.583 7.118 -12.053 1.00 0.00 H new ATOM 0 HA LEU A 58 102.138 8.780 -14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.434 7.895 -12.051 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.788 8.646 -13.497 1.00 0.00 H new ATOM 0 HG LEU A 58 101.478 6.119 -13.650 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.350 4.844 -13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.555 5.681 -12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.446 6.341 -13.374 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.267 5.851 -15.797 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.365 7.351 -15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.124 7.409 -15.735 1.00 0.00 H new ATOM 952 N PRO A 59 101.635 11.071 -13.561 1.00 0.00 N ATOM 953 CA PRO A 59 101.669 12.477 -13.073 1.00 0.00 C ATOM 954 C PRO A 59 100.529 12.758 -12.075 1.00 0.00 C ATOM 955 O PRO A 59 100.496 13.803 -11.455 1.00 0.00 O ATOM 956 CB PRO A 59 101.489 13.306 -14.342 1.00 0.00 C ATOM 957 CG PRO A 59 100.782 12.405 -15.303 1.00 0.00 C ATOM 958 CD PRO A 59 101.168 10.991 -14.957 1.00 0.00 C ATOM 0 HA PRO A 59 102.590 12.706 -12.538 1.00 0.00 H new ATOM 0 HB2 PRO A 59 100.906 14.206 -14.145 1.00 0.00 H new ATOM 0 HB3 PRO A 59 102.451 13.630 -14.740 1.00 0.00 H new ATOM 0 HG2 PRO A 59 99.702 12.537 -15.231 1.00 0.00 H new ATOM 0 HG3 PRO A 59 101.064 12.640 -16.329 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.321 10.312 -15.054 1.00 0.00 H new ATOM 0 HD3 PRO A 59 101.951 10.620 -15.618 1.00 0.00 H new ATOM 966 N LYS A 60 99.592 11.838 -11.917 1.00 0.00 N ATOM 967 CA LYS A 60 98.431 12.058 -10.983 1.00 0.00 C ATOM 968 C LYS A 60 97.720 13.382 -11.298 1.00 0.00 C ATOM 969 O LYS A 60 97.993 14.016 -12.300 1.00 0.00 O ATOM 970 CB LYS A 60 99.032 12.092 -9.571 1.00 0.00 C ATOM 971 CG LYS A 60 99.611 10.718 -9.226 1.00 0.00 C ATOM 972 CD LYS A 60 100.125 10.730 -7.783 1.00 0.00 C ATOM 973 CE LYS A 60 100.785 9.387 -7.462 1.00 0.00 C ATOM 974 NZ LYS A 60 101.813 9.702 -6.430 1.00 0.00 N ATOM 0 H LYS A 60 99.584 10.939 -12.400 1.00 0.00 H new ATOM 0 HA LYS A 60 97.685 11.270 -11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 60 99.812 12.851 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 98.267 12.368 -8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 60 98.848 9.949 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 60 100.422 10.471 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 60 100.842 11.540 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 60 99.301 10.916 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 60 100.056 8.668 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 60 101.239 8.947 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 102.310 8.830 -6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 102.496 10.383 -6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 101.351 10.113 -5.594 1.00 0.00 H new ATOM 988 N ASN A 61 96.812 13.796 -10.447 1.00 0.00 N ATOM 989 CA ASN A 61 96.063 15.069 -10.696 1.00 0.00 C ATOM 990 C ASN A 61 96.968 16.275 -10.430 1.00 0.00 C ATOM 991 O ASN A 61 97.850 16.225 -9.592 1.00 0.00 O ATOM 992 CB ASN A 61 94.890 15.052 -9.713 1.00 0.00 C ATOM 993 CG ASN A 61 93.881 16.133 -10.101 1.00 0.00 C ATOM 994 OD1 ASN A 61 93.311 16.092 -11.174 1.00 0.00 O ATOM 995 ND2 ASN A 61 93.633 17.107 -9.269 1.00 0.00 N ATOM 0 H ASN A 61 96.557 13.307 -9.589 1.00 0.00 H new ATOM 0 HA ASN A 61 95.722 15.146 -11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 61 94.410 14.073 -9.720 1.00 0.00 H new ATOM 0 HB3 ASN A 61 95.250 15.223 -8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 61 92.962 17.833 -9.519 1.00 0.00 H new ATOM 0 HD22 ASN A 61 94.111 17.142 -8.368 1.00 0.00 H new ATOM 1002 N GLU A 62 96.753 17.358 -11.139 1.00 0.00 N ATOM 1003 CA GLU A 62 97.603 18.574 -10.946 1.00 0.00 C ATOM 1004 C GLU A 62 96.958 19.512 -9.921 1.00 0.00 C ATOM 1005 O GLU A 62 95.756 19.706 -9.916 1.00 0.00 O ATOM 1006 CB GLU A 62 97.665 19.242 -12.320 1.00 0.00 C ATOM 1007 CG GLU A 62 98.433 18.345 -13.296 1.00 0.00 C ATOM 1008 CD GLU A 62 98.586 19.055 -14.646 1.00 0.00 C ATOM 1009 OE1 GLU A 62 97.658 19.742 -15.044 1.00 0.00 O ATOM 1010 OE2 GLU A 62 99.628 18.898 -15.258 1.00 0.00 O ATOM 0 H GLU A 62 96.023 17.451 -11.845 1.00 0.00 H new ATOM 0 HA GLU A 62 98.596 18.326 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 62 96.657 19.422 -12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 62 98.154 20.213 -12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 62 99.415 18.105 -12.888 1.00 0.00 H new ATOM 0 HG3 GLU A 62 97.904 17.401 -13.429 1.00 0.00 H new ATOM 1017 N ILE A 63 97.754 20.095 -9.057 1.00 0.00 N ATOM 1018 CA ILE A 63 97.198 21.027 -8.021 1.00 0.00 C ATOM 1019 C ILE A 63 96.707 22.318 -8.692 1.00 0.00 C ATOM 1020 O ILE A 63 95.736 22.915 -8.264 1.00 0.00 O ATOM 1021 CB ILE A 63 98.362 21.318 -7.055 1.00 0.00 C ATOM 1022 CG1 ILE A 63 98.839 20.010 -6.411 1.00 0.00 C ATOM 1023 CG2 ILE A 63 97.898 22.276 -5.951 1.00 0.00 C ATOM 1024 CD1 ILE A 63 100.169 20.245 -5.692 1.00 0.00 C ATOM 0 H ILE A 63 98.765 19.967 -9.023 1.00 0.00 H new ATOM 0 HA ILE A 63 96.347 20.596 -7.493 1.00 0.00 H new ATOM 0 HB ILE A 63 99.179 21.774 -7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 63 98.092 19.647 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 63 98.958 19.240 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.726 22.477 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 63 97.561 23.211 -6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.077 21.822 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 63 100.505 19.314 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 63 100.915 20.588 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 63 100.036 21.001 -4.918 1.00 0.00 H new ATOM 1036 N MET A 64 97.373 22.747 -9.738 1.00 0.00 N ATOM 1037 CA MET A 64 96.970 24.019 -10.425 1.00 0.00 C ATOM 1038 C MET A 64 95.587 23.860 -11.085 1.00 0.00 C ATOM 1039 O MET A 64 95.190 22.758 -11.411 1.00 0.00 O ATOM 1040 CB MET A 64 98.056 24.291 -11.483 1.00 0.00 C ATOM 1041 CG MET A 64 98.167 23.114 -12.464 1.00 0.00 C ATOM 1042 SD MET A 64 99.005 23.662 -13.971 1.00 0.00 S ATOM 1043 CE MET A 64 97.623 24.593 -14.675 1.00 0.00 C ATOM 0 H MET A 64 98.178 22.272 -10.147 1.00 0.00 H new ATOM 0 HA MET A 64 96.889 24.848 -9.721 1.00 0.00 H new ATOM 0 HB2 MET A 64 97.818 25.204 -12.029 1.00 0.00 H new ATOM 0 HB3 MET A 64 99.016 24.454 -10.992 1.00 0.00 H new ATOM 0 HG2 MET A 64 98.720 22.295 -12.005 1.00 0.00 H new ATOM 0 HG3 MET A 64 97.175 22.733 -12.705 1.00 0.00 H new ATOM 0 HE1 MET A 64 98.003 25.477 -15.187 1.00 0.00 H new ATOM 0 HE2 MET A 64 97.085 23.965 -15.385 1.00 0.00 H new ATOM 0 HE3 MET A 64 96.947 24.899 -13.877 1.00 0.00 H new ATOM 1053 N PRO A 65 94.893 24.970 -11.265 1.00 0.00 N ATOM 1054 CA PRO A 65 93.543 24.928 -11.889 1.00 0.00 C ATOM 1055 C PRO A 65 93.650 24.523 -13.364 1.00 0.00 C ATOM 1056 O PRO A 65 94.700 24.630 -13.970 1.00 0.00 O ATOM 1057 CB PRO A 65 93.025 26.361 -11.753 1.00 0.00 C ATOM 1058 CG PRO A 65 94.243 27.208 -11.564 1.00 0.00 C ATOM 1059 CD PRO A 65 95.288 26.344 -10.909 1.00 0.00 C ATOM 0 HA PRO A 65 92.881 24.201 -11.419 1.00 0.00 H new ATOM 0 HB2 PRO A 65 92.470 26.664 -12.641 1.00 0.00 H new ATOM 0 HB3 PRO A 65 92.346 26.454 -10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 65 94.601 27.586 -12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 65 94.016 28.075 -10.944 1.00 0.00 H new ATOM 0 HD2 PRO A 65 96.287 26.579 -11.276 1.00 0.00 H new ATOM 0 HD3 PRO A 65 95.303 26.487 -9.829 1.00 0.00 H new ATOM 1067 N LYS A 66 92.567 24.059 -13.941 1.00 0.00 N ATOM 1068 CA LYS A 66 92.591 23.644 -15.378 1.00 0.00 C ATOM 1069 C LYS A 66 92.269 24.840 -16.279 1.00 0.00 C ATOM 1070 O LYS A 66 91.852 25.883 -15.812 1.00 0.00 O ATOM 1071 CB LYS A 66 91.508 22.570 -15.507 1.00 0.00 C ATOM 1072 CG LYS A 66 91.922 21.325 -14.719 1.00 0.00 C ATOM 1073 CD LYS A 66 90.899 20.212 -14.950 1.00 0.00 C ATOM 1074 CE LYS A 66 91.250 19.005 -14.077 1.00 0.00 C ATOM 1075 NZ LYS A 66 90.672 17.833 -14.792 1.00 0.00 N ATOM 0 H LYS A 66 91.666 23.950 -13.476 1.00 0.00 H new ATOM 0 HA LYS A 66 93.569 23.270 -15.680 1.00 0.00 H new ATOM 0 HB2 LYS A 66 90.558 22.951 -15.132 1.00 0.00 H new ATOM 0 HB3 LYS A 66 91.358 22.315 -16.556 1.00 0.00 H new ATOM 0 HG2 LYS A 66 92.912 20.995 -15.034 1.00 0.00 H new ATOM 0 HG3 LYS A 66 91.987 21.559 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 66 89.897 20.569 -14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 66 90.891 19.924 -16.001 1.00 0.00 H new ATOM 0 HE2 LYS A 66 92.329 18.903 -13.959 1.00 0.00 H new ATOM 0 HE3 LYS A 66 90.828 19.105 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 90.871 16.965 -14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 89.643 17.955 -14.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 91.097 17.759 -15.738 1.00 0.00 H new ATOM 1089 N ASN A 67 92.462 24.691 -17.574 1.00 0.00 N ATOM 1090 CA ASN A 67 92.183 25.811 -18.539 1.00 0.00 C ATOM 1091 C ASN A 67 92.951 27.080 -18.140 1.00 0.00 C ATOM 1092 O ASN A 67 92.433 28.181 -18.211 1.00 0.00 O ATOM 1093 CB ASN A 67 90.668 26.049 -18.472 1.00 0.00 C ATOM 1094 CG ASN A 67 90.227 26.879 -19.679 1.00 0.00 C ATOM 1095 OD1 ASN A 67 90.343 26.442 -20.807 1.00 0.00 O ATOM 1096 ND2 ASN A 67 89.722 28.067 -19.489 1.00 0.00 N ATOM 0 H ASN A 67 92.804 23.833 -18.007 1.00 0.00 H new ATOM 0 HA ASN A 67 92.505 25.558 -19.549 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.140 25.096 -18.460 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.411 26.567 -17.548 1.00 0.00 H new ATOM 0 HD21 ASN A 67 89.425 28.628 -20.287 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.624 28.434 -18.542 1.00 0.00 H new ATOM 1103 N GLY A 68 94.185 26.927 -17.723 1.00 0.00 N ATOM 1104 CA GLY A 68 95.006 28.113 -17.333 1.00 0.00 C ATOM 1105 C GLY A 68 96.483 27.837 -17.627 1.00 0.00 C ATOM 1106 O GLY A 68 97.359 28.287 -16.912 1.00 0.00 O ATOM 0 H GLY A 68 94.659 26.028 -17.636 1.00 0.00 H new ATOM 0 HA2 GLY A 68 94.674 28.994 -17.883 1.00 0.00 H new ATOM 0 HA3 GLY A 68 94.870 28.329 -16.273 1.00 0.00 H new ATOM 1110 N THR A 69 96.763 27.100 -18.677 1.00 0.00 N ATOM 1111 CA THR A 69 98.182 26.790 -19.032 1.00 0.00 C ATOM 1112 C THR A 69 98.456 27.170 -20.490 1.00 0.00 C ATOM 1113 O THR A 69 97.666 26.886 -21.370 1.00 0.00 O ATOM 1114 CB THR A 69 98.318 25.279 -18.836 1.00 0.00 C ATOM 1115 OG1 THR A 69 97.824 24.924 -17.552 1.00 0.00 O ATOM 1116 CG2 THR A 69 99.789 24.877 -18.947 1.00 0.00 C ATOM 0 H THR A 69 96.066 26.699 -19.304 1.00 0.00 H new ATOM 0 HA THR A 69 98.893 27.345 -18.420 1.00 0.00 H new ATOM 0 HB THR A 69 97.744 24.760 -19.604 1.00 0.00 H new ATOM 0 HG1 THR A 69 98.052 23.990 -17.360 1.00 0.00 H new ATOM 0 HG21 THR A 69 99.883 23.800 -18.807 1.00 0.00 H new ATOM 0 HG22 THR A 69 100.167 25.149 -19.932 1.00 0.00 H new ATOM 0 HG23 THR A 69 100.366 25.394 -18.181 1.00 0.00 H new ATOM 1124 N LYS A 70 99.573 27.810 -20.746 1.00 0.00 N ATOM 1125 CA LYS A 70 99.916 28.207 -22.152 1.00 0.00 C ATOM 1126 C LYS A 70 100.154 26.961 -23.013 1.00 0.00 C ATOM 1127 O LYS A 70 99.763 26.912 -24.164 1.00 0.00 O ATOM 1128 CB LYS A 70 101.201 29.035 -22.039 1.00 0.00 C ATOM 1129 CG LYS A 70 101.514 29.681 -23.391 1.00 0.00 C ATOM 1130 CD LYS A 70 102.829 30.457 -23.293 1.00 0.00 C ATOM 1131 CE LYS A 70 103.065 31.229 -24.593 1.00 0.00 C ATOM 1132 NZ LYS A 70 102.281 32.486 -24.441 1.00 0.00 N ATOM 0 H LYS A 70 100.263 28.075 -20.043 1.00 0.00 H new ATOM 0 HA LYS A 70 99.112 28.772 -22.624 1.00 0.00 H new ATOM 0 HB2 LYS A 70 101.085 29.804 -21.275 1.00 0.00 H new ATOM 0 HB3 LYS A 70 102.030 28.399 -21.728 1.00 0.00 H new ATOM 0 HG2 LYS A 70 101.588 28.916 -24.163 1.00 0.00 H new ATOM 0 HG3 LYS A 70 100.705 30.351 -23.682 1.00 0.00 H new ATOM 0 HD2 LYS A 70 102.795 31.146 -22.449 1.00 0.00 H new ATOM 0 HD3 LYS A 70 103.656 29.771 -23.110 1.00 0.00 H new ATOM 0 HE2 LYS A 70 104.124 31.440 -24.740 1.00 0.00 H new ATOM 0 HE3 LYS A 70 102.730 30.657 -25.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 101.836 32.730 -25.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 101.544 32.350 -23.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 102.915 33.257 -24.148 1.00 0.00 H new ATOM 1146 N SER A 71 100.794 25.954 -22.454 1.00 0.00 N ATOM 1147 CA SER A 71 101.110 24.697 -23.224 1.00 0.00 C ATOM 1148 C SER A 71 101.991 25.008 -24.449 1.00 0.00 C ATOM 1149 O SER A 71 102.038 26.137 -24.901 1.00 0.00 O ATOM 1150 CB SER A 71 99.758 24.116 -23.665 1.00 0.00 C ATOM 1151 OG SER A 71 98.840 24.183 -22.582 1.00 0.00 O ATOM 0 H SER A 71 101.115 25.949 -21.486 1.00 0.00 H new ATOM 0 HA SER A 71 101.667 23.990 -22.609 1.00 0.00 H new ATOM 0 HB2 SER A 71 99.372 24.673 -24.519 1.00 0.00 H new ATOM 0 HB3 SER A 71 99.882 23.082 -23.988 1.00 0.00 H new ATOM 0 HG SER A 71 97.976 23.814 -22.862 1.00 0.00 H new ATOM 1157 N PRO A 72 102.672 23.993 -24.950 1.00 0.00 N ATOM 1158 CA PRO A 72 103.538 24.179 -26.145 1.00 0.00 C ATOM 1159 C PRO A 72 102.683 24.475 -27.383 1.00 0.00 C ATOM 1160 O PRO A 72 101.581 23.976 -27.516 1.00 0.00 O ATOM 1161 CB PRO A 72 104.265 22.841 -26.290 1.00 0.00 C ATOM 1162 CG PRO A 72 103.425 21.851 -25.548 1.00 0.00 C ATOM 1163 CD PRO A 72 102.702 22.604 -24.464 1.00 0.00 C ATOM 0 HA PRO A 72 104.228 25.017 -26.042 1.00 0.00 H new ATOM 0 HB2 PRO A 72 104.368 22.561 -27.338 1.00 0.00 H new ATOM 0 HB3 PRO A 72 105.271 22.893 -25.874 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.715 21.368 -26.220 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.046 21.063 -25.121 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.696 22.214 -24.311 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.223 22.527 -23.510 1.00 0.00 H new ATOM 1171 N SER A 73 103.187 25.282 -28.284 1.00 0.00 N ATOM 1172 CA SER A 73 102.415 25.616 -29.519 1.00 0.00 C ATOM 1173 C SER A 73 102.948 24.811 -30.710 1.00 0.00 C ATOM 1174 O SER A 73 103.841 25.245 -31.416 1.00 0.00 O ATOM 1175 CB SER A 73 102.640 27.113 -29.734 1.00 0.00 C ATOM 1176 OG SER A 73 104.020 27.349 -29.979 1.00 0.00 O ATOM 0 H SER A 73 104.103 25.725 -28.216 1.00 0.00 H new ATOM 0 HA SER A 73 101.356 25.375 -29.424 1.00 0.00 H new ATOM 0 HB2 SER A 73 102.044 27.465 -30.576 1.00 0.00 H new ATOM 0 HB3 SER A 73 102.314 27.671 -28.857 1.00 0.00 H new ATOM 0 HG SER A 73 104.316 26.801 -30.735 1.00 0.00 H new ATOM 1182 N THR A 74 102.403 23.639 -30.935 1.00 0.00 N ATOM 1183 CA THR A 74 102.861 22.795 -32.081 1.00 0.00 C ATOM 1184 C THR A 74 101.666 22.093 -32.738 1.00 0.00 C ATOM 1185 O THR A 74 100.624 21.927 -32.130 1.00 0.00 O ATOM 1186 CB THR A 74 103.838 21.776 -31.471 1.00 0.00 C ATOM 1187 OG1 THR A 74 104.344 20.938 -32.500 1.00 0.00 O ATOM 1188 CG2 THR A 74 103.130 20.916 -30.413 1.00 0.00 C ATOM 0 H THR A 74 101.658 23.230 -30.371 1.00 0.00 H new ATOM 0 HA THR A 74 103.340 23.386 -32.862 1.00 0.00 H new ATOM 0 HB THR A 74 104.656 22.315 -30.993 1.00 0.00 H new ATOM 0 HG1 THR A 74 104.969 20.288 -32.115 1.00 0.00 H new ATOM 0 HG21 THR A 74 103.837 20.201 -29.993 1.00 0.00 H new ATOM 0 HG22 THR A 74 102.748 21.558 -29.619 1.00 0.00 H new ATOM 0 HG23 THR A 74 102.302 20.378 -30.876 1.00 0.00 H new ATOM 1196 N ASN A 75 101.815 21.680 -33.974 1.00 0.00 N ATOM 1197 CA ASN A 75 100.698 20.979 -34.679 1.00 0.00 C ATOM 1198 C ASN A 75 101.009 19.485 -34.802 1.00 0.00 C ATOM 1199 O ASN A 75 102.066 19.100 -35.266 1.00 0.00 O ATOM 1200 CB ASN A 75 100.631 21.628 -36.064 1.00 0.00 C ATOM 1201 CG ASN A 75 100.186 23.087 -35.929 1.00 0.00 C ATOM 1202 OD1 ASN A 75 99.358 23.408 -35.099 1.00 0.00 O ATOM 1203 ND2 ASN A 75 100.704 23.989 -36.716 1.00 0.00 N ATOM 0 H ASN A 75 102.665 21.799 -34.525 1.00 0.00 H new ATOM 0 HA ASN A 75 99.753 21.066 -34.143 1.00 0.00 H new ATOM 0 HB2 ASN A 75 101.607 21.579 -36.547 1.00 0.00 H new ATOM 0 HB3 ASN A 75 99.933 21.082 -36.699 1.00 0.00 H new ATOM 0 HD21 ASN A 75 100.414 24.964 -36.635 1.00 0.00 H new ATOM 0 HD22 ASN A 75 101.399 23.720 -37.413 1.00 0.00 H new ATOM 1210 N SER A 76 100.091 18.643 -34.387 1.00 0.00 N ATOM 1211 CA SER A 76 100.319 17.168 -34.475 1.00 0.00 C ATOM 1212 C SER A 76 99.100 16.480 -35.099 1.00 0.00 C ATOM 1213 O SER A 76 97.988 16.967 -35.003 1.00 0.00 O ATOM 1214 CB SER A 76 100.510 16.710 -33.030 1.00 0.00 C ATOM 1215 OG SER A 76 99.296 16.896 -32.315 1.00 0.00 O ATOM 0 H SER A 76 99.192 18.917 -33.990 1.00 0.00 H new ATOM 0 HA SER A 76 101.178 16.920 -35.099 1.00 0.00 H new ATOM 0 HB2 SER A 76 100.803 15.661 -33.005 1.00 0.00 H new ATOM 0 HB3 SER A 76 101.313 17.277 -32.560 1.00 0.00 H new ATOM 0 HG SER A 76 99.414 16.602 -31.388 1.00 0.00 H new ATOM 1221 N THR A 77 99.307 15.353 -35.735 1.00 0.00 N ATOM 1222 CA THR A 77 98.164 14.620 -36.369 1.00 0.00 C ATOM 1223 C THR A 77 97.368 13.851 -35.307 1.00 0.00 C ATOM 1224 O THR A 77 96.169 13.678 -35.428 1.00 0.00 O ATOM 1225 CB THR A 77 98.802 13.648 -37.366 1.00 0.00 C ATOM 1226 OG1 THR A 77 99.762 12.845 -36.692 1.00 0.00 O ATOM 1227 CG2 THR A 77 99.487 14.435 -38.486 1.00 0.00 C ATOM 0 H THR A 77 100.218 14.908 -35.843 1.00 0.00 H new ATOM 0 HA THR A 77 97.468 15.302 -36.858 1.00 0.00 H new ATOM 0 HB THR A 77 98.030 13.010 -37.796 1.00 0.00 H new ATOM 0 HG1 THR A 77 100.171 12.221 -37.328 1.00 0.00 H new ATOM 0 HG21 THR A 77 99.940 13.741 -39.194 1.00 0.00 H new ATOM 0 HG22 THR A 77 98.750 15.050 -39.002 1.00 0.00 H new ATOM 0 HG23 THR A 77 100.260 15.075 -38.061 1.00 0.00 H new ATOM 1235 N LYS A 78 98.030 13.390 -34.271 1.00 0.00 N ATOM 1236 CA LYS A 78 97.320 12.614 -33.199 1.00 0.00 C ATOM 1237 C LYS A 78 96.286 13.498 -32.492 1.00 0.00 C ATOM 1238 O LYS A 78 95.221 13.040 -32.122 1.00 0.00 O ATOM 1239 CB LYS A 78 98.413 12.181 -32.216 1.00 0.00 C ATOM 1240 CG LYS A 78 99.352 11.185 -32.900 1.00 0.00 C ATOM 1241 CD LYS A 78 100.374 10.667 -31.885 1.00 0.00 C ATOM 1242 CE LYS A 78 101.375 9.751 -32.592 1.00 0.00 C ATOM 1243 NZ LYS A 78 102.361 10.671 -33.222 1.00 0.00 N ATOM 0 H LYS A 78 99.031 13.517 -34.120 1.00 0.00 H new ATOM 0 HA LYS A 78 96.781 11.760 -33.609 1.00 0.00 H new ATOM 0 HB2 LYS A 78 98.975 13.051 -31.875 1.00 0.00 H new ATOM 0 HB3 LYS A 78 97.963 11.726 -31.334 1.00 0.00 H new ATOM 0 HG2 LYS A 78 98.780 10.354 -33.312 1.00 0.00 H new ATOM 0 HG3 LYS A 78 99.863 11.665 -33.734 1.00 0.00 H new ATOM 0 HD2 LYS A 78 100.896 11.503 -31.419 1.00 0.00 H new ATOM 0 HD3 LYS A 78 99.867 10.123 -31.088 1.00 0.00 H new ATOM 0 HE2 LYS A 78 101.860 9.077 -31.886 1.00 0.00 H new ATOM 0 HE3 LYS A 78 100.882 9.129 -33.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 102.538 10.372 -34.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 101.983 11.640 -33.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 103.252 10.645 -32.686 1.00 0.00 H new ATOM 1257 N LEU A 79 96.597 14.759 -32.306 1.00 0.00 N ATOM 1258 CA LEU A 79 95.636 15.683 -31.631 1.00 0.00 C ATOM 1259 C LEU A 79 94.980 16.606 -32.663 1.00 0.00 C ATOM 1260 O LEU A 79 95.653 17.335 -33.369 1.00 0.00 O ATOM 1261 CB LEU A 79 96.489 16.491 -30.651 1.00 0.00 C ATOM 1262 CG LEU A 79 95.580 17.324 -29.745 1.00 0.00 C ATOM 1263 CD1 LEU A 79 94.884 16.408 -28.737 1.00 0.00 C ATOM 1264 CD2 LEU A 79 96.420 18.361 -28.996 1.00 0.00 C ATOM 0 H LEU A 79 97.477 15.187 -32.594 1.00 0.00 H new ATOM 0 HA LEU A 79 94.831 15.149 -31.126 1.00 0.00 H new ATOM 0 HB2 LEU A 79 97.103 15.821 -30.050 1.00 0.00 H new ATOM 0 HB3 LEU A 79 97.170 17.143 -31.198 1.00 0.00 H new ATOM 0 HG LEU A 79 94.830 17.832 -30.351 1.00 0.00 H new ATOM 0 HD11 LEU A 79 94.237 17.002 -28.092 1.00 0.00 H new ATOM 0 HD12 LEU A 79 94.286 15.669 -29.270 1.00 0.00 H new ATOM 0 HD13 LEU A 79 95.633 15.899 -28.130 1.00 0.00 H new ATOM 0 HD21 LEU A 79 95.773 18.955 -28.350 1.00 0.00 H new ATOM 0 HD22 LEU A 79 97.170 17.853 -28.390 1.00 0.00 H new ATOM 0 HD23 LEU A 79 96.916 19.015 -29.714 1.00 0.00 H new ATOM 1276 N LYS A 80 93.672 16.577 -32.751 1.00 0.00 N ATOM 1277 CA LYS A 80 92.958 17.454 -33.730 1.00 0.00 C ATOM 1278 C LYS A 80 91.651 17.983 -33.121 1.00 0.00 C ATOM 1279 O LYS A 80 91.179 17.483 -32.118 1.00 0.00 O ATOM 1280 CB LYS A 80 92.682 16.565 -34.953 1.00 0.00 C ATOM 1281 CG LYS A 80 91.827 15.353 -34.557 1.00 0.00 C ATOM 1282 CD LYS A 80 91.703 14.404 -35.751 1.00 0.00 C ATOM 1283 CE LYS A 80 90.708 13.290 -35.417 1.00 0.00 C ATOM 1284 NZ LYS A 80 90.782 12.352 -36.572 1.00 0.00 N ATOM 0 H LYS A 80 93.067 15.982 -32.185 1.00 0.00 H new ATOM 0 HA LYS A 80 93.548 18.329 -34.002 1.00 0.00 H new ATOM 0 HB2 LYS A 80 92.169 17.143 -35.722 1.00 0.00 H new ATOM 0 HB3 LYS A 80 93.624 16.227 -35.384 1.00 0.00 H new ATOM 0 HG2 LYS A 80 92.281 14.835 -33.712 1.00 0.00 H new ATOM 0 HG3 LYS A 80 90.839 15.681 -34.236 1.00 0.00 H new ATOM 0 HD2 LYS A 80 91.369 14.952 -36.632 1.00 0.00 H new ATOM 0 HD3 LYS A 80 92.676 13.977 -35.992 1.00 0.00 H new ATOM 0 HE2 LYS A 80 90.972 12.791 -34.485 1.00 0.00 H new ATOM 0 HE3 LYS A 80 89.700 13.685 -35.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 90.127 11.559 -36.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 90.519 12.854 -37.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 91.752 11.987 -36.661 1.00 0.00 H new ATOM 1298 N SER A 81 91.072 18.991 -33.729 1.00 0.00 N ATOM 1299 CA SER A 81 89.805 19.585 -33.185 1.00 0.00 C ATOM 1300 C SER A 81 88.659 18.565 -33.230 1.00 0.00 C ATOM 1301 O SER A 81 87.746 18.616 -32.427 1.00 0.00 O ATOM 1302 CB SER A 81 89.492 20.776 -34.092 1.00 0.00 C ATOM 1303 OG SER A 81 90.609 21.654 -34.116 1.00 0.00 O ATOM 0 H SER A 81 91.422 19.430 -34.581 1.00 0.00 H new ATOM 0 HA SER A 81 89.919 19.883 -32.143 1.00 0.00 H new ATOM 0 HB2 SER A 81 89.265 20.430 -35.100 1.00 0.00 H new ATOM 0 HB3 SER A 81 88.609 21.302 -33.729 1.00 0.00 H new ATOM 0 HG SER A 81 90.412 22.418 -34.698 1.00 0.00 H new ATOM 1309 N ALA A 82 88.701 17.640 -34.163 1.00 0.00 N ATOM 1310 CA ALA A 82 87.583 16.649 -34.304 1.00 0.00 C ATOM 1311 C ALA A 82 87.467 15.782 -33.044 1.00 0.00 C ATOM 1312 O ALA A 82 86.384 15.383 -32.656 1.00 0.00 O ATOM 1313 CB ALA A 82 87.953 15.785 -35.513 1.00 0.00 C ATOM 0 H ALA A 82 89.462 17.529 -34.833 1.00 0.00 H new ATOM 0 HA ALA A 82 86.621 17.144 -34.437 1.00 0.00 H new ATOM 0 HB1 ALA A 82 87.178 15.036 -35.676 1.00 0.00 H new ATOM 0 HB2 ALA A 82 88.040 16.416 -36.398 1.00 0.00 H new ATOM 0 HB3 ALA A 82 88.905 15.287 -35.327 1.00 0.00 H new ATOM 1319 N GLU A 83 88.576 15.490 -32.408 1.00 0.00 N ATOM 1320 CA GLU A 83 88.535 14.665 -31.157 1.00 0.00 C ATOM 1321 C GLU A 83 87.897 15.465 -30.018 1.00 0.00 C ATOM 1322 O GLU A 83 88.067 16.667 -29.925 1.00 0.00 O ATOM 1323 CB GLU A 83 89.997 14.341 -30.831 1.00 0.00 C ATOM 1324 CG GLU A 83 90.568 13.417 -31.911 1.00 0.00 C ATOM 1325 CD GLU A 83 92.010 13.036 -31.558 1.00 0.00 C ATOM 1326 OE1 GLU A 83 92.720 13.881 -31.033 1.00 0.00 O ATOM 1327 OE2 GLU A 83 92.381 11.904 -31.819 1.00 0.00 O ATOM 0 H GLU A 83 89.507 15.786 -32.700 1.00 0.00 H new ATOM 0 HA GLU A 83 87.942 13.760 -31.285 1.00 0.00 H new ATOM 0 HB2 GLU A 83 90.581 15.260 -30.777 1.00 0.00 H new ATOM 0 HB3 GLU A 83 90.066 13.862 -29.854 1.00 0.00 H new ATOM 0 HG2 GLU A 83 89.955 12.520 -31.996 1.00 0.00 H new ATOM 0 HG3 GLU A 83 90.540 13.915 -32.880 1.00 0.00 H new ATOM 1334 N THR A 84 87.165 14.804 -29.155 1.00 0.00 N ATOM 1335 CA THR A 84 86.504 15.518 -28.018 1.00 0.00 C ATOM 1336 C THR A 84 87.413 15.504 -26.787 1.00 0.00 C ATOM 1337 O THR A 84 87.937 14.473 -26.405 1.00 0.00 O ATOM 1338 CB THR A 84 85.218 14.733 -27.747 1.00 0.00 C ATOM 1339 OG1 THR A 84 84.512 14.548 -28.965 1.00 0.00 O ATOM 1340 CG2 THR A 84 84.343 15.508 -26.761 1.00 0.00 C ATOM 0 H THR A 84 86.996 13.799 -29.189 1.00 0.00 H new ATOM 0 HA THR A 84 86.299 16.563 -28.250 1.00 0.00 H new ATOM 0 HB THR A 84 85.469 13.762 -27.321 1.00 0.00 H new ATOM 0 HG1 THR A 84 83.689 14.044 -28.793 1.00 0.00 H new ATOM 0 HG21 THR A 84 83.428 14.948 -26.569 1.00 0.00 H new ATOM 0 HG22 THR A 84 84.885 15.649 -25.826 1.00 0.00 H new ATOM 0 HG23 THR A 84 84.091 16.480 -27.184 1.00 0.00 H new ATOM 1348 N TYR A 85 87.603 16.644 -26.166 1.00 0.00 N ATOM 1349 CA TYR A 85 88.491 16.713 -24.960 1.00 0.00 C ATOM 1350 C TYR A 85 87.863 15.950 -23.790 1.00 0.00 C ATOM 1351 O TYR A 85 88.547 15.283 -23.036 1.00 0.00 O ATOM 1352 CB TYR A 85 88.609 18.202 -24.625 1.00 0.00 C ATOM 1353 CG TYR A 85 89.600 18.495 -23.523 1.00 0.00 C ATOM 1354 CD1 TYR A 85 89.171 18.516 -22.173 1.00 0.00 C ATOM 1355 CD2 TYR A 85 90.957 18.748 -23.840 1.00 0.00 C ATOM 1356 CE1 TYR A 85 90.100 18.791 -21.140 1.00 0.00 C ATOM 1357 CE2 TYR A 85 91.886 19.022 -22.806 1.00 0.00 C ATOM 1358 CZ TYR A 85 91.458 19.044 -21.457 1.00 0.00 C ATOM 1359 OH TYR A 85 92.363 19.311 -20.449 1.00 0.00 O ATOM 0 H TYR A 85 87.181 17.531 -26.442 1.00 0.00 H new ATOM 0 HA TYR A 85 89.465 16.262 -25.148 1.00 0.00 H new ATOM 0 HB2 TYR A 85 88.904 18.746 -25.522 1.00 0.00 H new ATOM 0 HB3 TYR A 85 87.629 18.579 -24.332 1.00 0.00 H new ATOM 0 HD1 TYR A 85 88.136 18.322 -21.932 1.00 0.00 H new ATOM 0 HD2 TYR A 85 91.283 18.732 -24.869 1.00 0.00 H new ATOM 0 HE1 TYR A 85 89.774 18.808 -20.111 1.00 0.00 H new ATOM 0 HE2 TYR A 85 92.921 19.214 -23.047 1.00 0.00 H new ATOM 0 HH TYR A 85 93.250 19.460 -20.837 1.00 0.00 H new ATOM 1369 N SER A 86 86.564 16.047 -23.637 1.00 0.00 N ATOM 1370 CA SER A 86 85.876 15.348 -22.508 1.00 0.00 C ATOM 1371 C SER A 86 84.858 14.340 -23.048 1.00 0.00 C ATOM 1372 O SER A 86 84.332 14.500 -24.134 1.00 0.00 O ATOM 1373 CB SER A 86 85.170 16.457 -21.729 1.00 0.00 C ATOM 1374 OG SER A 86 86.132 17.400 -21.277 1.00 0.00 O ATOM 0 H SER A 86 85.949 16.583 -24.249 1.00 0.00 H new ATOM 0 HA SER A 86 86.573 14.789 -21.883 1.00 0.00 H new ATOM 0 HB2 SER A 86 84.432 16.949 -22.363 1.00 0.00 H new ATOM 0 HB3 SER A 86 84.631 16.035 -20.881 1.00 0.00 H new ATOM 0 HG SER A 86 85.682 18.113 -20.778 1.00 0.00 H new ATOM 1380 N SER A 87 84.579 13.304 -22.293 1.00 0.00 N ATOM 1381 CA SER A 87 83.589 12.278 -22.753 1.00 0.00 C ATOM 1382 C SER A 87 82.175 12.864 -22.739 1.00 0.00 C ATOM 1383 O SER A 87 81.860 13.721 -21.933 1.00 0.00 O ATOM 1384 CB SER A 87 83.700 11.125 -21.753 1.00 0.00 C ATOM 1385 OG SER A 87 82.863 10.056 -22.173 1.00 0.00 O ATOM 0 H SER A 87 84.994 13.124 -21.379 1.00 0.00 H new ATOM 0 HA SER A 87 83.789 11.948 -23.772 1.00 0.00 H new ATOM 0 HB2 SER A 87 84.734 10.787 -21.684 1.00 0.00 H new ATOM 0 HB3 SER A 87 83.408 11.462 -20.758 1.00 0.00 H new ATOM 0 HG SER A 87 82.142 9.929 -21.521 1.00 0.00 H new ATOM 1391 N LYS A 88 81.324 12.408 -23.627 1.00 0.00 N ATOM 1392 CA LYS A 88 79.927 12.949 -23.694 1.00 0.00 C ATOM 1393 C LYS A 88 79.163 12.619 -22.405 1.00 0.00 C ATOM 1394 O LYS A 88 78.431 13.440 -21.882 1.00 0.00 O ATOM 1395 CB LYS A 88 79.276 12.254 -24.892 1.00 0.00 C ATOM 1396 CG LYS A 88 77.926 12.906 -25.194 1.00 0.00 C ATOM 1397 CD LYS A 88 78.152 14.259 -25.871 1.00 0.00 C ATOM 1398 CE LYS A 88 76.808 14.839 -26.317 1.00 0.00 C ATOM 1399 NZ LYS A 88 76.247 15.488 -25.099 1.00 0.00 N ATOM 0 H LYS A 88 81.537 11.682 -24.311 1.00 0.00 H new ATOM 0 HA LYS A 88 79.918 14.034 -23.801 1.00 0.00 H new ATOM 0 HB2 LYS A 88 79.927 12.323 -25.763 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.139 11.194 -24.680 1.00 0.00 H new ATOM 0 HG2 LYS A 88 77.334 12.258 -25.841 1.00 0.00 H new ATOM 0 HG3 LYS A 88 77.360 13.039 -24.272 1.00 0.00 H new ATOM 0 HD2 LYS A 88 78.645 14.944 -25.182 1.00 0.00 H new ATOM 0 HD3 LYS A 88 78.812 14.142 -26.730 1.00 0.00 H new ATOM 0 HE2 LYS A 88 76.937 15.560 -27.125 1.00 0.00 H new ATOM 0 HE3 LYS A 88 76.145 14.058 -26.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 75.356 15.968 -25.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 76.065 14.766 -24.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 76.927 16.184 -24.732 1.00 0.00 H new ATOM 1413 N ASN A 89 79.334 11.423 -21.894 1.00 0.00 N ATOM 1414 CA ASN A 89 78.618 11.023 -20.642 1.00 0.00 C ATOM 1415 C ASN A 89 79.592 10.357 -19.666 1.00 0.00 C ATOM 1416 O ASN A 89 80.589 9.783 -20.068 1.00 0.00 O ATOM 1417 CB ASN A 89 77.550 10.027 -21.097 1.00 0.00 C ATOM 1418 CG ASN A 89 76.506 10.749 -21.952 1.00 0.00 C ATOM 1419 OD1 ASN A 89 76.215 10.334 -23.056 1.00 0.00 O ATOM 1420 ND2 ASN A 89 75.926 11.820 -21.485 1.00 0.00 N ATOM 0 H ASN A 89 79.940 10.705 -22.291 1.00 0.00 H new ATOM 0 HA ASN A 89 78.184 11.878 -20.124 1.00 0.00 H new ATOM 0 HB2 ASN A 89 78.010 9.222 -21.670 1.00 0.00 H new ATOM 0 HB3 ASN A 89 77.072 9.570 -20.231 1.00 0.00 H new ATOM 0 HD21 ASN A 89 75.229 12.308 -22.047 1.00 0.00 H new ATOM 0 HD22 ASN A 89 76.170 12.169 -20.558 1.00 0.00 H new ATOM 1427 N LYS A 90 79.308 10.431 -18.388 1.00 0.00 N ATOM 1428 CA LYS A 90 80.199 9.787 -17.374 1.00 0.00 C ATOM 1429 C LYS A 90 79.626 8.428 -16.959 1.00 0.00 C ATOM 1430 O LYS A 90 78.438 8.291 -16.733 1.00 0.00 O ATOM 1431 CB LYS A 90 80.210 10.750 -16.185 1.00 0.00 C ATOM 1432 CG LYS A 90 80.912 12.051 -16.585 1.00 0.00 C ATOM 1433 CD LYS A 90 81.012 12.971 -15.368 1.00 0.00 C ATOM 1434 CE LYS A 90 81.612 14.314 -15.791 1.00 0.00 C ATOM 1435 NZ LYS A 90 80.460 15.102 -16.312 1.00 0.00 N ATOM 0 H LYS A 90 78.495 10.911 -18.003 1.00 0.00 H new ATOM 0 HA LYS A 90 81.202 9.607 -17.760 1.00 0.00 H new ATOM 0 HB2 LYS A 90 79.190 10.959 -15.864 1.00 0.00 H new ATOM 0 HB3 LYS A 90 80.723 10.293 -15.339 1.00 0.00 H new ATOM 0 HG2 LYS A 90 81.907 11.835 -16.974 1.00 0.00 H new ATOM 0 HG3 LYS A 90 80.358 12.545 -17.383 1.00 0.00 H new ATOM 0 HD2 LYS A 90 80.025 13.123 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 90 81.632 12.509 -14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 90 82.086 14.818 -14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 90 82.378 14.181 -16.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 80.765 15.659 -17.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 79.696 14.455 -16.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 80.114 15.743 -15.570 1.00 0.00 H new ATOM 1449 N TRP A 91 80.467 7.426 -16.859 1.00 0.00 N ATOM 1450 CA TRP A 91 79.977 6.062 -16.475 1.00 0.00 C ATOM 1451 C TRP A 91 79.482 6.062 -15.025 1.00 0.00 C ATOM 1452 O TRP A 91 78.415 5.557 -14.726 1.00 0.00 O ATOM 1453 CB TRP A 91 81.186 5.136 -16.626 1.00 0.00 C ATOM 1454 CG TRP A 91 80.844 3.685 -16.498 1.00 0.00 C ATOM 1455 CD1 TRP A 91 81.095 2.921 -15.408 1.00 0.00 C ATOM 1456 CD2 TRP A 91 80.197 2.815 -17.471 1.00 0.00 C ATOM 1457 NE1 TRP A 91 80.644 1.633 -15.646 1.00 0.00 N ATOM 1458 CE2 TRP A 91 80.082 1.510 -16.901 1.00 0.00 C ATOM 1459 CE3 TRP A 91 79.699 3.021 -18.787 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 79.492 0.443 -17.611 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 79.104 1.949 -19.506 1.00 0.00 C ATOM 1462 CH2 TRP A 91 79.002 0.663 -18.918 1.00 0.00 C ATOM 0 H TRP A 91 81.471 7.493 -17.026 1.00 0.00 H new ATOM 0 HA TRP A 91 79.142 5.741 -17.098 1.00 0.00 H new ATOM 0 HB2 TRP A 91 81.647 5.308 -17.599 1.00 0.00 H new ATOM 0 HB3 TRP A 91 81.929 5.394 -15.871 1.00 0.00 H new ATOM 0 HD1 TRP A 91 81.570 3.261 -14.500 1.00 0.00 H new ATOM 0 HE1 TRP A 91 80.718 0.868 -14.975 1.00 0.00 H new ATOM 0 HE3 TRP A 91 79.773 3.997 -19.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 79.415 -0.535 -17.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 78.728 2.115 -20.505 1.00 0.00 H new ATOM 0 HH2 TRP A 91 78.550 -0.148 -19.469 1.00 0.00 H new ATOM 1473 N SER A 92 80.253 6.626 -14.126 1.00 0.00 N ATOM 1474 CA SER A 92 79.840 6.663 -12.690 1.00 0.00 C ATOM 1475 C SER A 92 80.529 7.826 -11.969 1.00 0.00 C ATOM 1476 O SER A 92 81.493 8.384 -12.460 1.00 0.00 O ATOM 1477 CB SER A 92 80.299 5.325 -12.112 1.00 0.00 C ATOM 1478 OG SER A 92 81.720 5.284 -12.090 1.00 0.00 O ATOM 0 H SER A 92 81.152 7.063 -14.327 1.00 0.00 H new ATOM 0 HA SER A 92 78.766 6.811 -12.573 1.00 0.00 H new ATOM 0 HB2 SER A 92 79.905 5.197 -11.104 1.00 0.00 H new ATOM 0 HB3 SER A 92 79.910 4.503 -12.713 1.00 0.00 H new ATOM 0 HG SER A 92 82.017 4.427 -11.718 1.00 0.00 H new ATOM 1484 N MET A 93 80.041 8.189 -10.807 1.00 0.00 N ATOM 1485 CA MET A 93 80.668 9.304 -10.033 1.00 0.00 C ATOM 1486 C MET A 93 81.014 8.833 -8.617 1.00 0.00 C ATOM 1487 O MET A 93 80.288 8.060 -8.018 1.00 0.00 O ATOM 1488 CB MET A 93 79.606 10.404 -9.987 1.00 0.00 C ATOM 1489 CG MET A 93 79.381 10.958 -11.395 1.00 0.00 C ATOM 1490 SD MET A 93 78.264 12.381 -11.312 1.00 0.00 S ATOM 1491 CE MET A 93 79.431 13.541 -10.559 1.00 0.00 C ATOM 0 H MET A 93 79.232 7.758 -10.360 1.00 0.00 H new ATOM 0 HA MET A 93 81.595 9.653 -10.489 1.00 0.00 H new ATOM 0 HB2 MET A 93 78.673 10.006 -9.588 1.00 0.00 H new ATOM 0 HB3 MET A 93 79.924 11.203 -9.317 1.00 0.00 H new ATOM 0 HG2 MET A 93 80.332 11.254 -11.837 1.00 0.00 H new ATOM 0 HG3 MET A 93 78.957 10.186 -12.038 1.00 0.00 H new ATOM 0 HE1 MET A 93 79.323 14.520 -11.025 1.00 0.00 H new ATOM 0 HE2 MET A 93 79.225 13.623 -9.492 1.00 0.00 H new ATOM 0 HE3 MET A 93 80.449 13.180 -10.706 1.00 0.00 H new ATOM 1501 N ASP A 94 82.118 9.297 -8.081 1.00 0.00 N ATOM 1502 CA ASP A 94 82.521 8.889 -6.701 1.00 0.00 C ATOM 1503 C ASP A 94 82.102 9.961 -5.690 1.00 0.00 C ATOM 1504 O ASP A 94 82.328 11.138 -5.896 1.00 0.00 O ATOM 1505 CB ASP A 94 84.044 8.764 -6.753 1.00 0.00 C ATOM 1506 CG ASP A 94 84.552 8.134 -5.455 1.00 0.00 C ATOM 1507 OD1 ASP A 94 84.539 6.917 -5.365 1.00 0.00 O ATOM 1508 OD2 ASP A 94 84.947 8.879 -4.572 1.00 0.00 O ATOM 0 H ASP A 94 82.758 9.943 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 94 82.048 7.958 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 94 84.340 8.153 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 94 84.495 9.746 -6.893 1.00 0.00 H new ATOM 1513 N CYS A 95 81.493 9.556 -4.600 1.00 0.00 N ATOM 1514 CA CYS A 95 81.067 10.540 -3.559 1.00 0.00 C ATOM 1515 C CYS A 95 81.370 9.994 -2.161 1.00 0.00 C ATOM 1516 O CYS A 95 80.898 8.937 -1.784 1.00 0.00 O ATOM 1517 CB CYS A 95 79.559 10.698 -3.757 1.00 0.00 C ATOM 1518 SG CYS A 95 78.969 12.110 -2.790 1.00 0.00 S ATOM 0 H CYS A 95 81.273 8.583 -4.388 1.00 0.00 H new ATOM 0 HA CYS A 95 81.592 11.491 -3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 95 79.334 10.847 -4.813 1.00 0.00 H new ATOM 0 HB3 CYS A 95 79.043 9.789 -3.446 1.00 0.00 H new ATOM 0 HG CYS A 95 78.894 11.776 -1.536 1.00 0.00 H new ATOM 1524 N ASP A 96 82.155 10.710 -1.392 1.00 0.00 N ATOM 1525 CA ASP A 96 82.496 10.244 -0.013 1.00 0.00 C ATOM 1526 C ASP A 96 82.580 11.437 0.945 1.00 0.00 C ATOM 1527 O ASP A 96 81.814 11.541 1.885 1.00 0.00 O ATOM 1528 CB ASP A 96 83.863 9.569 -0.149 1.00 0.00 C ATOM 1529 CG ASP A 96 83.725 8.291 -0.980 1.00 0.00 C ATOM 1530 OD1 ASP A 96 82.779 7.556 -0.750 1.00 0.00 O ATOM 1531 OD2 ASP A 96 84.569 8.071 -1.833 1.00 0.00 O ATOM 0 H ASP A 96 82.575 11.600 -1.662 1.00 0.00 H new ATOM 0 HA ASP A 96 81.744 9.566 0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 96 84.570 10.249 -0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 96 84.262 9.332 0.837 1.00 0.00 H new ATOM 1536 N GLU A 97 83.506 12.335 0.709 1.00 0.00 N ATOM 1537 CA GLU A 97 83.664 13.519 1.610 1.00 0.00 C ATOM 1538 C GLU A 97 83.172 14.787 0.905 1.00 0.00 C ATOM 1539 O GLU A 97 83.249 14.903 -0.303 1.00 0.00 O ATOM 1540 CB GLU A 97 85.166 13.605 1.887 1.00 0.00 C ATOM 1541 CG GLU A 97 85.429 14.659 2.967 1.00 0.00 C ATOM 1542 CD GLU A 97 86.938 14.835 3.155 1.00 0.00 C ATOM 1543 OE1 GLU A 97 87.640 14.885 2.158 1.00 0.00 O ATOM 1544 OE2 GLU A 97 87.367 14.919 4.295 1.00 0.00 O ATOM 0 H GLU A 97 84.161 12.298 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 97 83.085 13.422 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 97 85.542 12.635 2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 97 85.700 13.865 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 97 84.975 15.608 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 97 84.968 14.354 3.907 1.00 0.00 H new ATOM 1551 N GLU A 98 82.666 15.741 1.661 1.00 0.00 N ATOM 1552 CA GLU A 98 82.146 17.023 1.065 1.00 0.00 C ATOM 1553 C GLU A 98 81.080 16.737 -0.002 1.00 0.00 C ATOM 1554 O GLU A 98 81.392 16.407 -1.131 1.00 0.00 O ATOM 1555 CB GLU A 98 83.365 17.716 0.440 1.00 0.00 C ATOM 1556 CG GLU A 98 82.984 19.134 0.009 1.00 0.00 C ATOM 1557 CD GLU A 98 84.156 19.778 -0.735 1.00 0.00 C ATOM 1558 OE1 GLU A 98 84.760 19.101 -1.551 1.00 0.00 O ATOM 1559 OE2 GLU A 98 84.430 20.938 -0.476 1.00 0.00 O ATOM 0 H GLU A 98 82.590 15.685 2.677 1.00 0.00 H new ATOM 0 HA GLU A 98 81.671 17.649 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 98 84.184 17.751 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 98 83.719 17.147 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 98 82.104 19.105 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 98 82.722 19.732 0.882 1.00 0.00 H new ATOM 1566 N PHE A 99 79.825 16.866 0.355 1.00 0.00 N ATOM 1567 CA PHE A 99 78.727 16.599 -0.622 1.00 0.00 C ATOM 1568 C PHE A 99 78.214 17.915 -1.215 1.00 0.00 C ATOM 1569 O PHE A 99 77.919 18.853 -0.497 1.00 0.00 O ATOM 1570 CB PHE A 99 77.628 15.916 0.193 1.00 0.00 C ATOM 1571 CG PHE A 99 78.042 14.577 0.756 1.00 0.00 C ATOM 1572 CD1 PHE A 99 78.626 14.501 2.045 1.00 0.00 C ATOM 1573 CD2 PHE A 99 77.844 13.398 -0.002 1.00 0.00 C ATOM 1574 CE1 PHE A 99 79.013 13.245 2.574 1.00 0.00 C ATOM 1575 CE2 PHE A 99 78.231 12.143 0.527 1.00 0.00 C ATOM 1576 CZ PHE A 99 78.816 12.067 1.814 1.00 0.00 C ATOM 0 H PHE A 99 79.514 17.146 1.285 1.00 0.00 H new ATOM 0 HA PHE A 99 79.059 15.982 -1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 99 77.334 16.571 1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 99 76.749 15.781 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 99 78.776 15.400 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 99 77.398 13.456 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 99 79.458 13.186 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 99 78.080 11.244 -0.051 1.00 0.00 H new ATOM 0 HZ PHE A 99 79.112 11.110 2.216 1.00 0.00 H new ATOM 1586 N ASP A 100 78.108 17.986 -2.520 1.00 0.00 N ATOM 1587 CA ASP A 100 77.611 19.236 -3.174 1.00 0.00 C ATOM 1588 C ASP A 100 76.114 19.117 -3.470 1.00 0.00 C ATOM 1589 O ASP A 100 75.599 18.033 -3.676 1.00 0.00 O ATOM 1590 CB ASP A 100 78.408 19.349 -4.476 1.00 0.00 C ATOM 1591 CG ASP A 100 79.885 19.602 -4.157 1.00 0.00 C ATOM 1592 OD1 ASP A 100 80.154 20.394 -3.268 1.00 0.00 O ATOM 1593 OD2 ASP A 100 80.721 18.999 -4.808 1.00 0.00 O ATOM 0 H ASP A 100 78.345 17.229 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 100 77.742 20.113 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 100 78.303 18.434 -5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 100 78.013 20.162 -5.086 1.00 0.00 H new ATOM 1598 N PHE A 101 75.414 20.225 -3.493 1.00 0.00 N ATOM 1599 CA PHE A 101 73.947 20.192 -3.775 1.00 0.00 C ATOM 1600 C PHE A 101 73.676 20.623 -5.219 1.00 0.00 C ATOM 1601 O PHE A 101 74.168 21.641 -5.672 1.00 0.00 O ATOM 1602 CB PHE A 101 73.332 21.189 -2.794 1.00 0.00 C ATOM 1603 CG PHE A 101 73.504 20.794 -1.346 1.00 0.00 C ATOM 1604 CD1 PHE A 101 72.576 19.915 -0.737 1.00 0.00 C ATOM 1605 CD2 PHE A 101 74.595 21.301 -0.598 1.00 0.00 C ATOM 1606 CE1 PHE A 101 72.737 19.544 0.620 1.00 0.00 C ATOM 1607 CE2 PHE A 101 74.756 20.930 0.760 1.00 0.00 C ATOM 1608 CZ PHE A 101 73.826 20.051 1.369 1.00 0.00 C ATOM 0 H PHE A 101 75.799 21.155 -3.328 1.00 0.00 H new ATOM 0 HA PHE A 101 73.527 19.193 -3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 101 73.785 22.168 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 101 72.269 21.291 -3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 101 71.745 19.527 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 101 75.304 21.970 -1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 101 72.028 18.874 1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 101 75.587 21.317 1.331 1.00 0.00 H new ATOM 0 HZ PHE A 101 73.948 19.768 2.404 1.00 0.00 H new ATOM 1618 N ALA A 102 72.897 19.854 -5.940 1.00 0.00 N ATOM 1619 CA ALA A 102 72.583 20.208 -7.357 1.00 0.00 C ATOM 1620 C ALA A 102 71.180 19.718 -7.725 1.00 0.00 C ATOM 1621 O ALA A 102 70.666 18.784 -7.134 1.00 0.00 O ATOM 1622 CB ALA A 102 73.639 19.482 -8.190 1.00 0.00 C ATOM 0 H ALA A 102 72.464 18.993 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 102 72.599 21.285 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 102 73.476 19.692 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 102 74.631 19.827 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 102 73.563 18.408 -8.018 1.00 0.00 H new ATOM 1628 N ALA A 103 70.559 20.343 -8.696 1.00 0.00 N ATOM 1629 CA ALA A 103 69.187 19.921 -9.114 1.00 0.00 C ATOM 1630 C ALA A 103 69.262 19.055 -10.376 1.00 0.00 C ATOM 1631 O ALA A 103 69.995 19.357 -11.300 1.00 0.00 O ATOM 1632 CB ALA A 103 68.443 21.225 -9.402 1.00 0.00 C ATOM 0 H ALA A 103 70.945 21.130 -9.218 1.00 0.00 H new ATOM 0 HA ALA A 103 68.686 19.326 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 103 67.424 21.001 -9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 103 68.418 21.837 -8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 103 68.956 21.769 -10.195 1.00 0.00 H new ATOM 1638 N ASN A 104 68.507 17.984 -10.415 1.00 0.00 N ATOM 1639 CA ASN A 104 68.520 17.088 -11.613 1.00 0.00 C ATOM 1640 C ASN A 104 67.090 16.830 -12.105 1.00 0.00 C ATOM 1641 O ASN A 104 66.236 16.399 -11.352 1.00 0.00 O ATOM 1642 CB ASN A 104 69.190 15.786 -11.139 1.00 0.00 C ATOM 1643 CG ASN A 104 68.368 15.119 -10.023 1.00 0.00 C ATOM 1644 OD1 ASN A 104 67.633 15.776 -9.312 1.00 0.00 O ATOM 1645 ND2 ASN A 104 68.466 13.831 -9.842 1.00 0.00 N ATOM 0 H ASN A 104 67.880 17.691 -9.666 1.00 0.00 H new ATOM 0 HA ASN A 104 69.058 17.530 -12.452 1.00 0.00 H new ATOM 0 HB2 ASN A 104 69.294 15.099 -11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 104 70.195 16.001 -10.777 1.00 0.00 H new ATOM 0 HD21 ASN A 104 67.926 13.377 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 104 69.082 13.278 -10.438 1.00 0.00 H new ATOM 1652 N LEU A 105 66.829 17.094 -13.363 1.00 0.00 N ATOM 1653 CA LEU A 105 65.462 16.858 -13.919 1.00 0.00 C ATOM 1654 C LEU A 105 65.445 15.575 -14.754 1.00 0.00 C ATOM 1655 O LEU A 105 66.320 15.348 -15.571 1.00 0.00 O ATOM 1656 CB LEU A 105 65.173 18.076 -14.802 1.00 0.00 C ATOM 1657 CG LEU A 105 65.096 19.336 -13.937 1.00 0.00 C ATOM 1658 CD1 LEU A 105 65.083 20.573 -14.837 1.00 0.00 C ATOM 1659 CD2 LEU A 105 63.814 19.305 -13.101 1.00 0.00 C ATOM 0 H LEU A 105 67.507 17.464 -14.029 1.00 0.00 H new ATOM 0 HA LEU A 105 64.714 16.738 -13.135 1.00 0.00 H new ATOM 0 HB2 LEU A 105 65.955 18.186 -15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 105 64.235 17.934 -15.338 1.00 0.00 H new ATOM 0 HG LEU A 105 65.962 19.374 -13.276 1.00 0.00 H new ATOM 0 HD11 LEU A 105 65.028 21.471 -14.221 1.00 0.00 H new ATOM 0 HD12 LEU A 105 65.994 20.598 -15.434 1.00 0.00 H new ATOM 0 HD13 LEU A 105 64.217 20.533 -15.498 1.00 0.00 H new ATOM 0 HD21 LEU A 105 63.760 20.203 -12.485 1.00 0.00 H new ATOM 0 HD22 LEU A 105 62.949 19.266 -13.763 1.00 0.00 H new ATOM 0 HD23 LEU A 105 63.820 18.424 -12.459 1.00 0.00 H new ATOM 1671 N GLU A 106 64.456 14.738 -14.554 1.00 0.00 N ATOM 1672 CA GLU A 106 64.364 13.468 -15.337 1.00 0.00 C ATOM 1673 C GLU A 106 63.027 13.400 -16.079 1.00 0.00 C ATOM 1674 O GLU A 106 62.006 13.827 -15.571 1.00 0.00 O ATOM 1675 CB GLU A 106 64.457 12.348 -14.296 1.00 0.00 C ATOM 1676 CG GLU A 106 65.858 12.334 -13.673 1.00 0.00 C ATOM 1677 CD GLU A 106 65.916 13.307 -12.491 1.00 0.00 C ATOM 1678 OE1 GLU A 106 66.938 13.955 -12.335 1.00 0.00 O ATOM 1679 OE2 GLU A 106 64.940 13.385 -11.761 1.00 0.00 O ATOM 0 H GLU A 106 63.705 14.882 -13.878 1.00 0.00 H new ATOM 0 HA GLU A 106 65.150 13.391 -16.089 1.00 0.00 H new ATOM 0 HB2 GLU A 106 63.706 12.496 -13.521 1.00 0.00 H new ATOM 0 HB3 GLU A 106 64.247 11.386 -14.763 1.00 0.00 H new ATOM 0 HG2 GLU A 106 66.106 11.327 -13.338 1.00 0.00 H new ATOM 0 HG3 GLU A 106 66.600 12.613 -14.421 1.00 0.00 H new ATOM 1686 N LYS A 107 63.029 12.866 -17.277 1.00 0.00 N ATOM 1687 CA LYS A 107 61.761 12.753 -18.058 1.00 0.00 C ATOM 1688 C LYS A 107 61.909 11.693 -19.154 1.00 0.00 C ATOM 1689 O LYS A 107 61.198 10.704 -19.168 1.00 0.00 O ATOM 1690 CB LYS A 107 61.550 14.139 -18.673 1.00 0.00 C ATOM 1691 CG LYS A 107 60.161 14.212 -19.310 1.00 0.00 C ATOM 1692 CD LYS A 107 59.102 14.333 -18.212 1.00 0.00 C ATOM 1693 CE LYS A 107 57.726 14.531 -18.850 1.00 0.00 C ATOM 1694 NZ LYS A 107 57.646 15.988 -19.148 1.00 0.00 N ATOM 0 H LYS A 107 63.858 12.503 -17.747 1.00 0.00 H new ATOM 0 HA LYS A 107 60.917 12.451 -17.437 1.00 0.00 H new ATOM 0 HB2 LYS A 107 61.650 14.907 -17.906 1.00 0.00 H new ATOM 0 HB3 LYS A 107 62.316 14.335 -19.423 1.00 0.00 H new ATOM 0 HG2 LYS A 107 60.102 15.068 -19.983 1.00 0.00 H new ATOM 0 HG3 LYS A 107 59.977 13.321 -19.911 1.00 0.00 H new ATOM 0 HD2 LYS A 107 59.102 13.436 -17.592 1.00 0.00 H new ATOM 0 HD3 LYS A 107 59.336 15.173 -17.558 1.00 0.00 H new ATOM 0 HE2 LYS A 107 57.622 13.936 -19.757 1.00 0.00 H new ATOM 0 HE3 LYS A 107 56.929 14.222 -18.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 56.931 16.429 -18.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 58.571 16.429 -18.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 57.379 16.125 -20.144 1.00 0.00 H new ATOM 1708 N PHE A 108 62.826 11.894 -20.069 1.00 0.00 N ATOM 1709 CA PHE A 108 63.030 10.901 -21.169 1.00 0.00 C ATOM 1710 C PHE A 108 64.020 9.814 -20.733 1.00 0.00 C ATOM 1711 O PHE A 108 63.921 8.674 -21.148 1.00 0.00 O ATOM 1712 CB PHE A 108 63.587 11.706 -22.350 1.00 0.00 C ATOM 1713 CG PHE A 108 64.900 12.400 -22.060 1.00 0.00 C ATOM 1714 CD1 PHE A 108 64.916 13.779 -21.734 1.00 0.00 C ATOM 1715 CD2 PHE A 108 66.113 11.673 -22.116 1.00 0.00 C ATOM 1716 CE1 PHE A 108 66.145 14.429 -21.463 1.00 0.00 C ATOM 1717 CE2 PHE A 108 67.342 12.323 -21.846 1.00 0.00 C ATOM 1718 CZ PHE A 108 67.358 13.701 -21.520 1.00 0.00 C ATOM 0 H PHE A 108 63.443 12.705 -20.101 1.00 0.00 H new ATOM 0 HA PHE A 108 62.104 10.391 -21.434 1.00 0.00 H new ATOM 0 HB2 PHE A 108 63.722 11.037 -23.200 1.00 0.00 H new ATOM 0 HB3 PHE A 108 62.851 12.453 -22.646 1.00 0.00 H new ATOM 0 HD1 PHE A 108 63.991 14.335 -21.692 1.00 0.00 H new ATOM 0 HD2 PHE A 108 66.101 10.622 -22.365 1.00 0.00 H new ATOM 0 HE1 PHE A 108 66.157 15.480 -21.213 1.00 0.00 H new ATOM 0 HE2 PHE A 108 68.267 11.768 -21.889 1.00 0.00 H new ATOM 0 HZ PHE A 108 68.295 14.197 -21.315 1.00 0.00 H new ATOM 1728 N ASP A 109 64.971 10.163 -19.899 1.00 0.00 N ATOM 1729 CA ASP A 109 65.972 9.156 -19.427 1.00 0.00 C ATOM 1730 C ASP A 109 65.462 8.458 -18.163 1.00 0.00 C ATOM 1731 O ASP A 109 65.274 9.082 -17.135 1.00 0.00 O ATOM 1732 CB ASP A 109 67.238 9.962 -19.124 1.00 0.00 C ATOM 1733 CG ASP A 109 68.398 9.006 -18.834 1.00 0.00 C ATOM 1734 OD1 ASP A 109 68.653 8.752 -17.669 1.00 0.00 O ATOM 1735 OD2 ASP A 109 69.011 8.546 -19.783 1.00 0.00 O ATOM 0 H ASP A 109 65.096 11.104 -19.525 1.00 0.00 H new ATOM 0 HA ASP A 109 66.155 8.378 -20.168 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.485 10.603 -19.970 1.00 0.00 H new ATOM 0 HB3 ASP A 109 67.069 10.615 -18.268 1.00 0.00 H new ATOM 1740 N LYS A 110 65.239 7.168 -18.238 1.00 0.00 N ATOM 1741 CA LYS A 110 64.742 6.412 -17.046 1.00 0.00 C ATOM 1742 C LYS A 110 65.686 5.250 -16.726 1.00 0.00 C ATOM 1743 O LYS A 110 66.254 4.642 -17.614 1.00 0.00 O ATOM 1744 CB LYS A 110 63.364 5.886 -17.454 1.00 0.00 C ATOM 1745 CG LYS A 110 62.398 7.060 -17.633 1.00 0.00 C ATOM 1746 CD LYS A 110 60.973 6.530 -17.810 1.00 0.00 C ATOM 1747 CE LYS A 110 60.839 5.871 -19.186 1.00 0.00 C ATOM 1748 NZ LYS A 110 59.371 5.791 -19.432 1.00 0.00 N ATOM 0 H LYS A 110 65.380 6.605 -19.076 1.00 0.00 H new ATOM 0 HA LYS A 110 64.692 7.036 -16.154 1.00 0.00 H new ATOM 0 HB2 LYS A 110 63.440 5.320 -18.382 1.00 0.00 H new ATOM 0 HB3 LYS A 110 62.985 5.203 -16.694 1.00 0.00 H new ATOM 0 HG2 LYS A 110 62.447 7.719 -16.766 1.00 0.00 H new ATOM 0 HG3 LYS A 110 62.687 7.653 -18.501 1.00 0.00 H new ATOM 0 HD2 LYS A 110 60.742 5.809 -17.026 1.00 0.00 H new ATOM 0 HD3 LYS A 110 60.256 7.345 -17.714 1.00 0.00 H new ATOM 0 HE2 LYS A 110 61.337 6.460 -19.956 1.00 0.00 H new ATOM 0 HE3 LYS A 110 61.296 4.881 -19.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 59.198 5.350 -20.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 58.925 5.219 -18.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 58.965 6.748 -19.423 1.00 0.00 H new ATOM 1762 N LYS A 111 65.854 4.941 -15.463 1.00 0.00 N ATOM 1763 CA LYS A 111 66.755 3.815 -15.070 1.00 0.00 C ATOM 1764 C LYS A 111 65.937 2.539 -14.844 1.00 0.00 C ATOM 1765 O LYS A 111 64.845 2.582 -14.308 1.00 0.00 O ATOM 1766 CB LYS A 111 67.415 4.267 -13.766 1.00 0.00 C ATOM 1767 CG LYS A 111 68.341 5.453 -14.044 1.00 0.00 C ATOM 1768 CD LYS A 111 69.173 5.759 -12.796 1.00 0.00 C ATOM 1769 CE LYS A 111 68.275 6.377 -11.720 1.00 0.00 C ATOM 1770 NZ LYS A 111 69.203 6.757 -10.618 1.00 0.00 N ATOM 0 H LYS A 111 65.403 5.423 -14.685 1.00 0.00 H new ATOM 0 HA LYS A 111 67.492 3.589 -15.840 1.00 0.00 H new ATOM 0 HB2 LYS A 111 66.653 4.550 -13.040 1.00 0.00 H new ATOM 0 HB3 LYS A 111 67.982 3.445 -13.329 1.00 0.00 H new ATOM 0 HG2 LYS A 111 68.997 5.226 -14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 111 67.754 6.327 -14.325 1.00 0.00 H new ATOM 0 HD2 LYS A 111 69.633 4.845 -12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 111 69.983 6.444 -13.045 1.00 0.00 H new ATOM 0 HE2 LYS A 111 67.740 7.246 -12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 111 67.524 5.666 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 68.662 7.188 -9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 69.693 5.909 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 69.903 7.440 -10.973 1.00 0.00 H new ATOM 1784 N GLN A 112 66.462 1.409 -15.250 1.00 0.00 N ATOM 1785 CA GLN A 112 65.727 0.121 -15.061 1.00 0.00 C ATOM 1786 C GLN A 112 66.293 -0.638 -13.857 1.00 0.00 C ATOM 1787 O GLN A 112 67.433 -1.063 -13.863 1.00 0.00 O ATOM 1788 CB GLN A 112 65.965 -0.664 -16.352 1.00 0.00 C ATOM 1789 CG GLN A 112 65.081 -1.912 -16.367 1.00 0.00 C ATOM 1790 CD GLN A 112 65.436 -2.775 -17.579 1.00 0.00 C ATOM 1791 OE1 GLN A 112 66.563 -3.202 -17.726 1.00 0.00 O ATOM 1792 NE2 GLN A 112 64.513 -3.052 -18.460 1.00 0.00 N ATOM 0 H GLN A 112 67.371 1.324 -15.705 1.00 0.00 H new ATOM 0 HA GLN A 112 64.665 0.275 -14.868 1.00 0.00 H new ATOM 0 HB2 GLN A 112 65.742 -0.038 -17.216 1.00 0.00 H new ATOM 0 HB3 GLN A 112 67.014 -0.949 -16.427 1.00 0.00 H new ATOM 0 HG2 GLN A 112 65.222 -2.481 -15.448 1.00 0.00 H new ATOM 0 HG3 GLN A 112 64.030 -1.626 -16.407 1.00 0.00 H new ATOM 0 HE21 GLN A 112 63.566 -2.693 -18.337 1.00 0.00 H new ATOM 0 HE22 GLN A 112 64.739 -3.627 -19.272 1.00 0.00 H new ATOM 1801 N VAL A 113 65.501 -0.809 -12.826 1.00 0.00 N ATOM 1802 CA VAL A 113 65.978 -1.548 -11.613 1.00 0.00 C ATOM 1803 C VAL A 113 64.917 -2.555 -11.153 1.00 0.00 C ATOM 1804 O VAL A 113 63.730 -2.312 -11.269 1.00 0.00 O ATOM 1805 CB VAL A 113 66.216 -0.475 -10.536 1.00 0.00 C ATOM 1806 CG1 VAL A 113 67.335 0.466 -10.989 1.00 0.00 C ATOM 1807 CG2 VAL A 113 64.936 0.339 -10.299 1.00 0.00 C ATOM 0 H VAL A 113 64.541 -0.468 -12.772 1.00 0.00 H new ATOM 0 HA VAL A 113 66.887 -2.115 -11.815 1.00 0.00 H new ATOM 0 HB VAL A 113 66.500 -0.969 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 113 67.503 1.226 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 113 68.251 -0.105 -11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 113 67.049 0.948 -11.924 1.00 0.00 H new ATOM 0 HG21 VAL A 113 65.121 1.094 -9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 113 64.639 0.828 -11.227 1.00 0.00 H new ATOM 0 HG23 VAL A 113 64.138 -0.326 -9.967 1.00 0.00 H new ATOM 1817 N PHE A 114 65.342 -3.682 -10.633 1.00 0.00 N ATOM 1818 CA PHE A 114 64.365 -4.706 -10.144 1.00 0.00 C ATOM 1819 C PHE A 114 63.690 -4.221 -8.859 1.00 0.00 C ATOM 1820 O PHE A 114 62.518 -4.461 -8.636 1.00 0.00 O ATOM 1821 CB PHE A 114 65.195 -5.964 -9.872 1.00 0.00 C ATOM 1822 CG PHE A 114 65.760 -6.595 -11.122 1.00 0.00 C ATOM 1823 CD1 PHE A 114 67.054 -6.236 -11.573 1.00 0.00 C ATOM 1824 CD2 PHE A 114 64.996 -7.546 -11.841 1.00 0.00 C ATOM 1825 CE1 PHE A 114 67.584 -6.829 -12.745 1.00 0.00 C ATOM 1826 CE2 PHE A 114 65.527 -8.139 -13.014 1.00 0.00 C ATOM 1827 CZ PHE A 114 66.820 -7.780 -13.465 1.00 0.00 C ATOM 0 H PHE A 114 66.324 -3.937 -10.526 1.00 0.00 H new ATOM 0 HA PHE A 114 63.574 -4.894 -10.870 1.00 0.00 H new ATOM 0 HB2 PHE A 114 66.015 -5.710 -9.200 1.00 0.00 H new ATOM 0 HB3 PHE A 114 64.573 -6.695 -9.355 1.00 0.00 H new ATOM 0 HD1 PHE A 114 67.636 -5.511 -11.024 1.00 0.00 H new ATOM 0 HD2 PHE A 114 64.010 -7.819 -11.496 1.00 0.00 H new ATOM 0 HE1 PHE A 114 68.570 -6.556 -13.090 1.00 0.00 H new ATOM 0 HE2 PHE A 114 64.945 -8.864 -13.563 1.00 0.00 H new ATOM 0 HZ PHE A 114 67.224 -8.232 -14.359 1.00 0.00 H new ATOM 1837 N ALA A 115 64.426 -3.539 -8.013 1.00 0.00 N ATOM 1838 CA ALA A 115 63.844 -3.044 -6.728 1.00 0.00 C ATOM 1839 C ALA A 115 63.642 -1.527 -6.787 1.00 0.00 C ATOM 1840 O ALA A 115 64.333 -0.829 -7.507 1.00 0.00 O ATOM 1841 CB ALA A 115 64.879 -3.404 -5.661 1.00 0.00 C ATOM 0 H ALA A 115 65.408 -3.304 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 115 62.870 -3.486 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 115 64.525 -3.073 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 115 65.026 -4.484 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 115 65.824 -2.912 -5.890 1.00 0.00 H new ATOM 1847 N GLU A 116 62.697 -1.017 -6.035 1.00 0.00 N ATOM 1848 CA GLU A 116 62.439 0.455 -6.034 1.00 0.00 C ATOM 1849 C GLU A 116 63.156 1.116 -4.851 1.00 0.00 C ATOM 1850 O GLU A 116 63.284 0.531 -3.791 1.00 0.00 O ATOM 1851 CB GLU A 116 60.922 0.593 -5.889 1.00 0.00 C ATOM 1852 CG GLU A 116 60.517 2.057 -6.083 1.00 0.00 C ATOM 1853 CD GLU A 116 59.019 2.215 -5.811 1.00 0.00 C ATOM 1854 OE1 GLU A 116 58.370 2.913 -6.574 1.00 0.00 O ATOM 1855 OE2 GLU A 116 58.546 1.640 -4.845 1.00 0.00 O ATOM 0 H GLU A 116 62.091 -1.560 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 116 62.806 0.940 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 116 60.418 -0.034 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 116 60.608 0.246 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 116 61.089 2.695 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 116 60.748 2.377 -7.099 1.00 0.00 H new ATOM 1862 N PHE A 117 63.621 2.329 -5.030 1.00 0.00 N ATOM 1863 CA PHE A 117 64.345 3.035 -3.928 1.00 0.00 C ATOM 1864 C PHE A 117 63.743 4.427 -3.703 1.00 0.00 C ATOM 1865 O PHE A 117 62.978 4.917 -4.513 1.00 0.00 O ATOM 1866 CB PHE A 117 65.797 3.142 -4.408 1.00 0.00 C ATOM 1867 CG PHE A 117 65.960 3.899 -5.708 1.00 0.00 C ATOM 1868 CD1 PHE A 117 66.273 5.280 -5.690 1.00 0.00 C ATOM 1869 CD2 PHE A 117 65.799 3.225 -6.944 1.00 0.00 C ATOM 1870 CE1 PHE A 117 66.425 5.988 -6.907 1.00 0.00 C ATOM 1871 CE2 PHE A 117 65.952 3.933 -8.161 1.00 0.00 C ATOM 1872 CZ PHE A 117 66.265 5.313 -8.143 1.00 0.00 C ATOM 0 H PHE A 117 63.530 2.862 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 117 64.271 2.504 -2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 117 66.389 3.634 -3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 117 66.204 2.138 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 117 66.396 5.793 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 117 65.560 2.172 -6.958 1.00 0.00 H new ATOM 0 HE1 PHE A 117 66.663 7.041 -6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 117 65.830 3.420 -9.103 1.00 0.00 H new ATOM 0 HZ PHE A 117 66.382 5.852 -9.071 1.00 0.00 H new ATOM 1882 N ARG A 118 64.084 5.060 -2.607 1.00 0.00 N ATOM 1883 CA ARG A 118 63.531 6.418 -2.309 1.00 0.00 C ATOM 1884 C ARG A 118 64.641 7.470 -2.387 1.00 0.00 C ATOM 1885 O ARG A 118 65.781 7.204 -2.054 1.00 0.00 O ATOM 1886 CB ARG A 118 62.986 6.322 -0.883 1.00 0.00 C ATOM 1887 CG ARG A 118 61.782 5.377 -0.856 1.00 0.00 C ATOM 1888 CD ARG A 118 61.180 5.357 0.554 1.00 0.00 C ATOM 1889 NE ARG A 118 60.148 4.270 0.531 1.00 0.00 N ATOM 1890 CZ ARG A 118 59.217 4.186 1.463 1.00 0.00 C ATOM 1891 NH1 ARG A 118 59.157 5.044 2.456 1.00 0.00 N ATOM 1892 NH2 ARG A 118 58.337 3.225 1.398 1.00 0.00 N ATOM 0 H ARG A 118 64.724 4.693 -1.903 1.00 0.00 H new ATOM 0 HA ARG A 118 62.761 6.714 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 118 63.762 5.958 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 118 62.694 7.310 -0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 118 61.034 5.704 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 118 62.088 4.372 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 118 61.945 5.157 1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 118 60.732 6.319 0.804 1.00 0.00 H new ATOM 0 HE ARG A 118 60.166 3.581 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 118 59.841 5.798 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 118 58.427 4.956 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 118 58.374 2.550 0.634 1.00 0.00 H new ATOM 0 HH22 ARG A 118 57.612 3.148 2.111 1.00 0.00 H new ATOM 1906 N GLU A 119 64.310 8.662 -2.825 1.00 0.00 N ATOM 1907 CA GLU A 119 65.340 9.747 -2.924 1.00 0.00 C ATOM 1908 C GLU A 119 65.810 10.163 -1.527 1.00 0.00 C ATOM 1909 O GLU A 119 66.955 10.526 -1.333 1.00 0.00 O ATOM 1910 CB GLU A 119 64.637 10.916 -3.621 1.00 0.00 C ATOM 1911 CG GLU A 119 64.306 10.528 -5.066 1.00 0.00 C ATOM 1912 CD GLU A 119 63.695 11.727 -5.799 1.00 0.00 C ATOM 1913 OE1 GLU A 119 62.947 12.464 -5.176 1.00 0.00 O ATOM 1914 OE2 GLU A 119 63.985 11.885 -6.973 1.00 0.00 O ATOM 0 H GLU A 119 63.371 8.931 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 119 66.222 9.420 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 119 63.724 11.176 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 119 65.277 11.798 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 119 65.209 10.198 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 119 63.609 9.690 -5.077 1.00 0.00 H new ATOM 1921 N LYS A 120 64.928 10.111 -0.550 1.00 0.00 N ATOM 1922 CA LYS A 120 65.295 10.490 0.860 1.00 0.00 C ATOM 1923 C LYS A 120 65.930 11.889 0.904 1.00 0.00 C ATOM 1924 O LYS A 120 66.875 12.130 1.633 1.00 0.00 O ATOM 1925 CB LYS A 120 66.295 9.423 1.329 1.00 0.00 C ATOM 1926 CG LYS A 120 65.594 8.065 1.413 1.00 0.00 C ATOM 1927 CD LYS A 120 66.592 7.002 1.876 1.00 0.00 C ATOM 1928 CE LYS A 120 66.898 7.202 3.363 1.00 0.00 C ATOM 1929 NZ LYS A 120 67.828 6.094 3.715 1.00 0.00 N ATOM 0 H LYS A 120 63.958 9.819 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 120 64.417 10.529 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 120 67.135 9.368 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 120 66.702 9.695 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 120 64.756 8.119 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 120 65.184 7.795 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 120 66.182 6.006 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 120 67.510 7.071 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 120 67.355 8.175 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 120 65.989 7.160 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 68.085 6.162 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 67.363 5.181 3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 68.687 6.164 3.133 1.00 0.00 H new ATOM 1943 N ASP A 121 65.410 12.808 0.125 1.00 0.00 N ATOM 1944 CA ASP A 121 65.966 14.195 0.110 1.00 0.00 C ATOM 1945 C ASP A 121 64.874 15.206 0.472 1.00 0.00 C ATOM 1946 O ASP A 121 64.988 15.820 1.520 1.00 0.00 O ATOM 1947 CB ASP A 121 66.445 14.414 -1.326 1.00 0.00 C ATOM 1948 CG ASP A 121 67.244 15.716 -1.408 1.00 0.00 C ATOM 1949 OD1 ASP A 121 68.427 15.680 -1.111 1.00 0.00 O ATOM 1950 OD2 ASP A 121 66.660 16.725 -1.765 1.00 0.00 O ATOM 1951 OXT ASP A 121 63.944 15.347 -0.305 1.00 0.00 O ATOM 0 H ASP A 121 64.621 12.654 -0.503 1.00 0.00 H new ATOM 0 HA ASP A 121 66.772 14.325 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 121 67.064 13.575 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 121 65.591 14.456 -2.002 1.00 0.00 H new TER 1956 ASP A 121