USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 862 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 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 84 SER OG : rot 92:sc= 1.03 USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 51 LYS NZ :NH3+ 168:sc= 0.547 (180deg=0.488) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= -0.0605 USER MOD Set 4.1: A 3 SER OG : rot -140:sc= -1.03 USER MOD Set 4.2: A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 138:sc= -3.6 (180deg=-7.45!) USER MOD Single : A 16 GLN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.252 USER MOD Single : A 22 HIS : no HD1:sc= -5.87! K(o=-5.9!,f=-5.3) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.7!) USER MOD Single : A 33 SER OG : rot -57:sc= -0.164 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-6.3!) USER MOD Single : A 38 GLN : amide:sc= -2.17 K(o=-2.2,f=-5.3!) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0.142 (180deg=0.141) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 54:sc= -0.0237 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 38:sc= 0.387 USER MOD Single : A 53 ASN : amide:sc= -3.51! C(o=-3.5!,f=-3.5!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0945 X(o=-0.094,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.71) USER MOD Single : A 66 THR OG1 : rot 56:sc= 1.09 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 69 SER OG : rot 69:sc= 0.561! USER MOD Single : A 70 TYR OH : rot 150:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -4.33! K(o=-4.3!,f=-2.8) USER MOD Single : A 79 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 90:sc= -0.622 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 97 SER OG : rot -89:sc= 0.832 USER MOD Single : A 98 MET CE :methyl -130:sc= -0.452 (180deg=-1.3) USER MOD Single : A 101 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=-0.0058) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -158:sc= -0.132 USER MOD Single : A 108 SER OG : rot 180:sc= -0.145 USER MOD Single : A 111 SER OG : rot 180:sc= 0.00259 USER MOD Single : A 112 SER OG : rot 36:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.736 -3.644 20.868 1.00 0.00 N ATOM 2 CA GLY A 1 5.635 -3.095 19.870 1.00 0.00 C ATOM 3 C GLY A 1 6.877 -2.480 20.484 1.00 0.00 C ATOM 4 O GLY A 1 6.785 -1.594 21.333 1.00 0.00 O ATOM 0 H1 GLY A 1 3.903 -4.052 20.398 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.227 -4.385 21.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.433 -2.888 21.515 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.928 -3.883 19.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.108 -2.339 19.288 1.00 0.00 H new ATOM 8 N SER A 2 8.044 -2.953 20.055 1.00 0.00 N ATOM 9 CA SER A 2 9.310 -2.448 20.573 1.00 0.00 C ATOM 10 C SER A 2 10.090 -1.718 19.483 1.00 0.00 C ATOM 11 O SER A 2 10.953 -2.301 18.827 1.00 0.00 O ATOM 12 CB SER A 2 10.150 -3.596 21.135 1.00 0.00 C ATOM 13 OG SER A 2 9.656 -4.020 22.394 1.00 0.00 O ATOM 0 H SER A 2 8.138 -3.685 19.351 1.00 0.00 H new ATOM 0 HA SER A 2 9.091 -1.742 21.374 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.141 -4.433 20.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.187 -3.276 21.237 1.00 0.00 H new ATOM 0 HG SER A 2 10.209 -4.756 22.731 1.00 0.00 H new ATOM 19 N SER A 3 9.778 -0.440 19.296 1.00 0.00 N ATOM 20 CA SER A 3 10.446 0.370 18.284 1.00 0.00 C ATOM 21 C SER A 3 10.879 1.714 18.861 1.00 0.00 C ATOM 22 O SER A 3 10.312 2.192 19.843 1.00 0.00 O ATOM 23 CB SER A 3 9.522 0.590 17.085 1.00 0.00 C ATOM 24 OG SER A 3 10.137 1.415 16.111 1.00 0.00 O ATOM 0 H SER A 3 9.067 0.057 19.832 1.00 0.00 H new ATOM 0 HA SER A 3 11.336 -0.167 17.954 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.263 -0.371 16.641 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.591 1.048 17.419 1.00 0.00 H new ATOM 0 HG SER A 3 9.474 2.035 15.742 1.00 0.00 H new ATOM 30 N GLY A 4 11.889 2.319 18.243 1.00 0.00 N ATOM 31 CA GLY A 4 12.381 3.602 18.709 1.00 0.00 C ATOM 32 C GLY A 4 13.882 3.740 18.548 1.00 0.00 C ATOM 33 O GLY A 4 14.366 4.723 17.987 1.00 0.00 O ATOM 0 H GLY A 4 12.375 1.944 17.428 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.885 4.400 18.157 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.118 3.729 19.759 1.00 0.00 H new ATOM 37 N SER A 5 14.622 2.753 19.044 1.00 0.00 N ATOM 38 CA SER A 5 16.078 2.771 18.958 1.00 0.00 C ATOM 39 C SER A 5 16.562 1.948 17.768 1.00 0.00 C ATOM 40 O SER A 5 15.766 1.326 17.065 1.00 0.00 O ATOM 41 CB SER A 5 16.693 2.230 20.251 1.00 0.00 C ATOM 42 OG SER A 5 16.455 0.840 20.386 1.00 0.00 O ATOM 0 H SER A 5 14.237 1.931 19.510 1.00 0.00 H new ATOM 0 HA SER A 5 16.396 3.804 18.817 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.766 2.420 20.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.273 2.759 21.106 1.00 0.00 H new ATOM 0 HG SER A 5 16.859 0.518 21.219 1.00 0.00 H new ATOM 48 N SER A 6 17.873 1.951 17.549 1.00 0.00 N ATOM 49 CA SER A 6 18.464 1.208 16.442 1.00 0.00 C ATOM 50 C SER A 6 17.777 -0.142 16.265 1.00 0.00 C ATOM 51 O SER A 6 17.135 -0.650 17.184 1.00 0.00 O ATOM 52 CB SER A 6 19.962 1.004 16.680 1.00 0.00 C ATOM 53 OG SER A 6 20.190 0.061 17.713 1.00 0.00 O ATOM 0 H SER A 6 18.546 2.459 18.123 1.00 0.00 H new ATOM 0 HA SER A 6 18.324 1.789 15.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.436 0.662 15.760 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.425 1.955 16.943 1.00 0.00 H new ATOM 0 HG SER A 6 21.154 -0.053 17.845 1.00 0.00 H new ATOM 59 N GLY A 7 17.917 -0.720 15.076 1.00 0.00 N ATOM 60 CA GLY A 7 17.305 -2.006 14.798 1.00 0.00 C ATOM 61 C GLY A 7 16.839 -2.128 13.361 1.00 0.00 C ATOM 62 O GLY A 7 17.275 -1.387 12.480 1.00 0.00 O ATOM 0 H GLY A 7 18.444 -0.320 14.300 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.021 -2.800 15.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.456 -2.153 15.466 1.00 0.00 H new ATOM 66 N PRO A 8 15.934 -3.085 13.108 1.00 0.00 N ATOM 67 CA PRO A 8 15.390 -3.325 11.768 1.00 0.00 C ATOM 68 C PRO A 8 14.474 -2.198 11.303 1.00 0.00 C ATOM 69 O PRO A 8 13.819 -1.544 12.113 1.00 0.00 O ATOM 70 CB PRO A 8 14.597 -4.624 11.935 1.00 0.00 C ATOM 71 CG PRO A 8 14.233 -4.663 13.379 1.00 0.00 C ATOM 72 CD PRO A 8 15.370 -4.004 14.110 1.00 0.00 C ATOM 0 HA PRO A 8 16.175 -3.382 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.709 -4.630 11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.194 -5.491 11.654 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.296 -4.137 13.560 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.093 -5.689 13.719 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.023 -3.470 14.995 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.107 -4.733 14.447 1.00 0.00 H new ATOM 80 N MET A 9 14.434 -1.977 9.993 1.00 0.00 N ATOM 81 CA MET A 9 13.597 -0.930 9.420 1.00 0.00 C ATOM 82 C MET A 9 12.168 -1.029 9.944 1.00 0.00 C ATOM 83 O MET A 9 11.619 -2.123 10.074 1.00 0.00 O ATOM 84 CB MET A 9 13.600 -1.022 7.893 1.00 0.00 C ATOM 85 CG MET A 9 14.754 -0.277 7.242 1.00 0.00 C ATOM 86 SD MET A 9 14.450 1.495 7.107 1.00 0.00 S ATOM 87 CE MET A 9 14.010 1.632 5.377 1.00 0.00 C ATOM 0 H MET A 9 14.972 -2.509 9.309 1.00 0.00 H new ATOM 0 HA MET A 9 14.009 0.034 9.719 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.644 -2.071 7.600 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.660 -0.624 7.511 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.662 -0.443 7.822 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.932 -0.688 6.248 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.165 2.312 5.269 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.860 2.018 4.815 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.737 0.649 4.992 1.00 0.00 H new ATOM 97 N MET A 10 11.571 0.120 10.243 1.00 0.00 N ATOM 98 CA MET A 10 10.205 0.161 10.752 1.00 0.00 C ATOM 99 C MET A 10 9.215 0.458 9.630 1.00 0.00 C ATOM 100 O MET A 10 9.456 1.299 8.763 1.00 0.00 O ATOM 101 CB MET A 10 10.079 1.218 11.852 1.00 0.00 C ATOM 102 CG MET A 10 10.942 0.933 13.070 1.00 0.00 C ATOM 103 SD MET A 10 12.677 1.345 12.803 1.00 0.00 S ATOM 104 CE MET A 10 13.398 0.792 14.347 1.00 0.00 C ATOM 0 H MET A 10 12.011 1.034 10.142 1.00 0.00 H new ATOM 0 HA MET A 10 9.970 -0.818 11.170 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.352 2.191 11.443 1.00 0.00 H new ATOM 0 HB3 MET A 10 9.036 1.284 12.163 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.564 1.502 13.920 1.00 0.00 H new ATOM 0 HG3 MET A 10 10.859 -0.122 13.331 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.472 0.980 14.335 1.00 0.00 H new ATOM 0 HE2 MET A 10 12.944 1.335 15.176 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.218 -0.276 14.471 1.00 0.00 H new ATOM 114 N PRO A 11 8.074 -0.247 9.644 1.00 0.00 N ATOM 115 CA PRO A 11 7.026 -0.076 8.634 1.00 0.00 C ATOM 116 C PRO A 11 6.312 1.266 8.760 1.00 0.00 C ATOM 117 O PRO A 11 6.339 1.914 9.807 1.00 0.00 O ATOM 118 CB PRO A 11 6.059 -1.225 8.928 1.00 0.00 C ATOM 119 CG PRO A 11 6.267 -1.535 10.370 1.00 0.00 C ATOM 120 CD PRO A 11 7.720 -1.265 10.646 1.00 0.00 C ATOM 0 HA PRO A 11 7.430 -0.089 7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.027 -0.935 8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.272 -2.092 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.628 -0.914 10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.015 -2.573 10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.875 -0.900 11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.324 -2.165 10.535 1.00 0.00 H new ATOM 128 N PRO A 12 5.658 1.695 7.671 1.00 0.00 N ATOM 129 CA PRO A 12 4.924 2.963 7.636 1.00 0.00 C ATOM 130 C PRO A 12 3.667 2.929 8.498 1.00 0.00 C ATOM 131 O PRO A 12 3.362 1.918 9.129 1.00 0.00 O ATOM 132 CB PRO A 12 4.556 3.120 6.159 1.00 0.00 C ATOM 133 CG PRO A 12 4.532 1.729 5.625 1.00 0.00 C ATOM 134 CD PRO A 12 5.584 0.974 6.389 1.00 0.00 C ATOM 0 HA PRO A 12 5.517 3.788 8.031 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.587 3.606 6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.286 3.734 5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.550 1.276 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.743 1.718 4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.306 -0.070 6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.542 0.981 5.868 1.00 0.00 H new ATOM 142 N VAL A 13 2.939 4.042 8.519 1.00 0.00 N ATOM 143 CA VAL A 13 1.713 4.138 9.302 1.00 0.00 C ATOM 144 C VAL A 13 0.733 5.120 8.670 1.00 0.00 C ATOM 145 O VAL A 13 1.038 5.756 7.662 1.00 0.00 O ATOM 146 CB VAL A 13 2.004 4.580 10.748 1.00 0.00 C ATOM 147 CG1 VAL A 13 2.706 3.470 11.515 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.835 5.854 10.759 1.00 0.00 C ATOM 0 H VAL A 13 3.177 4.889 8.003 1.00 0.00 H new ATOM 0 HA VAL A 13 1.268 3.143 9.316 1.00 0.00 H new ATOM 0 HB VAL A 13 1.055 4.788 11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.903 3.801 12.535 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.070 2.585 11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.648 3.228 11.023 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.031 6.152 11.789 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.780 5.676 10.246 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.290 6.648 10.249 1.00 0.00 H new ATOM 158 N GLY A 14 -0.448 5.239 9.270 1.00 0.00 N ATOM 159 CA GLY A 14 -1.455 6.146 8.752 1.00 0.00 C ATOM 160 C GLY A 14 -1.982 5.716 7.398 1.00 0.00 C ATOM 161 O GLY A 14 -2.686 6.471 6.728 1.00 0.00 O ATOM 0 H GLY A 14 -0.725 4.723 10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.283 6.206 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.031 7.147 8.672 1.00 0.00 H new ATOM 165 N VAL A 15 -1.639 4.497 6.992 1.00 0.00 N ATOM 166 CA VAL A 15 -2.082 3.967 5.708 1.00 0.00 C ATOM 167 C VAL A 15 -3.600 4.019 5.585 1.00 0.00 C ATOM 168 O VAL A 15 -4.319 3.470 6.420 1.00 0.00 O ATOM 169 CB VAL A 15 -1.611 2.514 5.508 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.946 2.032 4.105 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.119 2.395 5.780 1.00 0.00 C ATOM 0 H VAL A 15 -1.056 3.859 7.534 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.637 4.595 4.936 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.138 1.879 6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.606 1.004 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.024 2.078 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.448 2.668 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.196 1.362 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.429 3.042 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.089 2.696 6.807 1.00 0.00 H new ATOM 181 N GLN A 16 -4.082 4.683 4.539 1.00 0.00 N ATOM 182 CA GLN A 16 -5.516 4.807 4.308 1.00 0.00 C ATOM 183 C GLN A 16 -5.842 4.673 2.824 1.00 0.00 C ATOM 184 O GLN A 16 -4.986 4.895 1.968 1.00 0.00 O ATOM 185 CB GLN A 16 -6.025 6.150 4.835 1.00 0.00 C ATOM 186 CG GLN A 16 -7.519 6.352 4.642 1.00 0.00 C ATOM 187 CD GLN A 16 -8.040 7.576 5.370 1.00 0.00 C ATOM 188 OE1 GLN A 16 -8.972 7.486 6.170 1.00 0.00 O ATOM 189 NE2 GLN A 16 -7.441 8.729 5.095 1.00 0.00 N ATOM 0 H GLN A 16 -3.500 5.143 3.839 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.016 4.001 4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.791 6.227 5.897 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.490 6.955 4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.735 6.447 3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.050 5.469 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.672 8.757 4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.750 9.586 5.554 1.00 0.00 H new ATOM 198 N ALA A 17 -7.085 4.308 2.527 1.00 0.00 N ATOM 199 CA ALA A 17 -7.524 4.146 1.146 1.00 0.00 C ATOM 200 C ALA A 17 -8.686 5.081 0.827 1.00 0.00 C ATOM 201 O ALA A 17 -9.785 4.925 1.359 1.00 0.00 O ATOM 202 CB ALA A 17 -7.919 2.701 0.884 1.00 0.00 C ATOM 0 H ALA A 17 -7.806 4.119 3.224 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.692 4.407 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.245 2.595 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.062 2.051 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.734 2.420 1.551 1.00 0.00 H new ATOM 208 N SER A 18 -8.435 6.052 -0.045 1.00 0.00 N ATOM 209 CA SER A 18 -9.460 7.015 -0.432 1.00 0.00 C ATOM 210 C SER A 18 -10.119 6.608 -1.746 1.00 0.00 C ATOM 211 O SER A 18 -9.491 6.645 -2.805 1.00 0.00 O ATOM 212 CB SER A 18 -8.853 8.413 -0.563 1.00 0.00 C ATOM 213 OG SER A 18 -9.858 9.387 -0.784 1.00 0.00 O ATOM 0 H SER A 18 -7.531 6.193 -0.497 1.00 0.00 H new ATOM 0 HA SER A 18 -10.222 7.030 0.347 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.298 8.658 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.140 8.428 -1.388 1.00 0.00 H new ATOM 0 HG SER A 18 -9.444 10.272 -0.862 1.00 0.00 H new ATOM 219 N ILE A 19 -11.387 6.221 -1.670 1.00 0.00 N ATOM 220 CA ILE A 19 -12.132 5.809 -2.853 1.00 0.00 C ATOM 221 C ILE A 19 -12.414 6.996 -3.767 1.00 0.00 C ATOM 222 O ILE A 19 -13.393 7.720 -3.579 1.00 0.00 O ATOM 223 CB ILE A 19 -13.466 5.139 -2.474 1.00 0.00 C ATOM 224 CG1 ILE A 19 -13.231 4.025 -1.452 1.00 0.00 C ATOM 225 CG2 ILE A 19 -14.155 4.591 -3.714 1.00 0.00 C ATOM 226 CD1 ILE A 19 -12.028 3.163 -1.765 1.00 0.00 C ATOM 0 H ILE A 19 -11.920 6.184 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.509 5.087 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.116 5.889 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.103 4.469 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -14.118 3.393 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -15.096 4.121 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.353 5.406 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.511 3.853 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.922 2.395 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.163 2.690 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.131 3.783 -1.784 1.00 0.00 H new ATOM 238 N LEU A 20 -11.551 7.190 -4.759 1.00 0.00 N ATOM 239 CA LEU A 20 -11.708 8.289 -5.705 1.00 0.00 C ATOM 240 C LEU A 20 -12.691 7.920 -6.811 1.00 0.00 C ATOM 241 O LEU A 20 -13.553 8.717 -7.180 1.00 0.00 O ATOM 242 CB LEU A 20 -10.354 8.661 -6.313 1.00 0.00 C ATOM 243 CG LEU A 20 -9.234 8.972 -5.320 1.00 0.00 C ATOM 244 CD1 LEU A 20 -7.887 8.998 -6.025 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.497 10.297 -4.618 1.00 0.00 C ATOM 0 H LEU A 20 -10.736 6.601 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.105 9.148 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.028 7.841 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.494 9.530 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.212 8.183 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.102 9.221 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.696 8.026 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.896 9.766 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.690 10.503 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.547 11.097 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.443 10.242 -4.079 1.00 0.00 H new ATOM 257 N SER A 21 -12.556 6.706 -7.334 1.00 0.00 N ATOM 258 CA SER A 21 -13.432 6.231 -8.399 1.00 0.00 C ATOM 259 C SER A 21 -13.533 4.709 -8.381 1.00 0.00 C ATOM 260 O SER A 21 -12.886 4.042 -7.574 1.00 0.00 O ATOM 261 CB SER A 21 -12.917 6.703 -9.760 1.00 0.00 C ATOM 262 OG SER A 21 -12.560 8.074 -9.723 1.00 0.00 O ATOM 0 H SER A 21 -11.849 6.033 -7.038 1.00 0.00 H new ATOM 0 HA SER A 21 -14.426 6.646 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.053 6.107 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.684 6.544 -10.518 1.00 0.00 H new ATOM 0 HG SER A 21 -12.233 8.351 -10.604 1.00 0.00 H new ATOM 268 N HIS A 22 -14.351 4.166 -9.278 1.00 0.00 N ATOM 269 CA HIS A 22 -14.538 2.722 -9.366 1.00 0.00 C ATOM 270 C HIS A 22 -13.196 2.007 -9.492 1.00 0.00 C ATOM 271 O HIS A 22 -12.977 0.963 -8.877 1.00 0.00 O ATOM 272 CB HIS A 22 -15.428 2.374 -10.560 1.00 0.00 C ATOM 273 CG HIS A 22 -14.821 2.727 -11.883 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.484 4.017 -12.235 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.490 1.951 -12.940 1.00 0.00 C ATOM 276 CE1 HIS A 22 -13.973 4.019 -13.454 1.00 0.00 C ATOM 277 NE2 HIS A 22 -13.965 2.777 -13.904 1.00 0.00 N ATOM 0 H HIS A 22 -14.894 4.704 -9.953 1.00 0.00 H new ATOM 0 HA HIS A 22 -15.024 2.387 -8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.644 1.306 -10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.380 2.894 -10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.615 0.881 -13.013 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.622 4.888 -13.991 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.624 2.480 -14.818 1.00 0.00 H new ATOM 286 N ASP A 23 -12.301 2.576 -10.292 1.00 0.00 N ATOM 287 CA ASP A 23 -10.980 1.993 -10.499 1.00 0.00 C ATOM 288 C ASP A 23 -9.884 2.965 -10.071 1.00 0.00 C ATOM 289 O ASP A 23 -8.760 2.910 -10.570 1.00 0.00 O ATOM 290 CB ASP A 23 -10.793 1.608 -11.967 1.00 0.00 C ATOM 291 CG ASP A 23 -11.508 0.319 -12.322 1.00 0.00 C ATOM 292 OD1 ASP A 23 -12.499 -0.016 -11.642 1.00 0.00 O ATOM 293 OD2 ASP A 23 -11.075 -0.355 -13.281 1.00 0.00 O ATOM 0 H ASP A 23 -12.466 3.440 -10.808 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.905 1.096 -9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.165 2.413 -12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.729 1.501 -12.179 1.00 0.00 H new ATOM 298 N THR A 24 -10.220 3.858 -9.145 1.00 0.00 N ATOM 299 CA THR A 24 -9.267 4.844 -8.652 1.00 0.00 C ATOM 300 C THR A 24 -9.270 4.898 -7.129 1.00 0.00 C ATOM 301 O THR A 24 -10.330 4.913 -6.501 1.00 0.00 O ATOM 302 CB THR A 24 -9.574 6.248 -9.206 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.705 6.195 -10.631 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.476 7.231 -8.828 1.00 0.00 C ATOM 0 H THR A 24 -11.146 3.918 -8.721 1.00 0.00 H new ATOM 0 HA THR A 24 -8.282 4.533 -8.999 1.00 0.00 H new ATOM 0 HB THR A 24 -10.512 6.590 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.902 7.091 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.715 8.216 -9.230 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.400 7.291 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.526 6.891 -9.240 1.00 0.00 H new ATOM 312 N ILE A 25 -8.080 4.929 -6.540 1.00 0.00 N ATOM 313 CA ILE A 25 -7.947 4.984 -5.089 1.00 0.00 C ATOM 314 C ILE A 25 -6.639 5.656 -4.682 1.00 0.00 C ATOM 315 O ILE A 25 -5.580 5.363 -5.237 1.00 0.00 O ATOM 316 CB ILE A 25 -8.004 3.578 -4.465 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.302 2.872 -4.862 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.884 3.665 -2.951 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.409 1.460 -4.332 1.00 0.00 C ATOM 0 H ILE A 25 -7.194 4.917 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.786 5.572 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.165 2.995 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.149 3.453 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.376 2.850 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.926 2.663 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.935 4.132 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.705 4.263 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.354 1.022 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.583 0.863 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.367 1.476 -3.243 1.00 0.00 H new ATOM 331 N ARG A 26 -6.722 6.557 -3.709 1.00 0.00 N ATOM 332 CA ARG A 26 -5.545 7.270 -3.227 1.00 0.00 C ATOM 333 C ARG A 26 -4.959 6.583 -1.997 1.00 0.00 C ATOM 334 O ARG A 26 -5.644 6.404 -0.989 1.00 0.00 O ATOM 335 CB ARG A 26 -5.902 8.720 -2.893 1.00 0.00 C ATOM 336 CG ARG A 26 -4.736 9.684 -3.041 1.00 0.00 C ATOM 337 CD ARG A 26 -4.961 10.957 -2.240 1.00 0.00 C ATOM 338 NE ARG A 26 -3.726 11.715 -2.059 1.00 0.00 N ATOM 339 CZ ARG A 26 -3.694 13.018 -1.804 1.00 0.00 C ATOM 340 NH1 ARG A 26 -4.823 13.704 -1.699 1.00 0.00 N ATOM 341 NH2 ARG A 26 -2.530 13.637 -1.652 1.00 0.00 N ATOM 0 H ARG A 26 -7.591 6.811 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.796 7.260 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.715 9.044 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.274 8.767 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.818 9.200 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.600 9.934 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.697 11.580 -2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.377 10.703 -1.265 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.839 11.216 -2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.720 13.231 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.795 14.705 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.659 13.112 -1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.506 14.638 -1.456 1.00 0.00 H new ATOM 355 N ILE A 27 -3.690 6.201 -2.087 1.00 0.00 N ATOM 356 CA ILE A 27 -3.012 5.534 -0.982 1.00 0.00 C ATOM 357 C ILE A 27 -1.919 6.419 -0.393 1.00 0.00 C ATOM 358 O ILE A 27 -0.898 6.674 -1.034 1.00 0.00 O ATOM 359 CB ILE A 27 -2.391 4.197 -1.427 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.439 3.331 -2.129 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.803 3.463 -0.231 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.575 2.907 -1.225 1.00 0.00 C ATOM 0 H ILE A 27 -3.110 6.342 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.767 5.338 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.587 4.403 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.846 3.883 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.954 2.442 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.368 2.520 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.030 4.078 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.590 3.264 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.280 2.296 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.179 2.328 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.085 3.791 -0.843 1.00 0.00 H new ATOM 374 N THR A 28 -2.138 6.885 0.832 1.00 0.00 N ATOM 375 CA THR A 28 -1.172 7.741 1.509 1.00 0.00 C ATOM 376 C THR A 28 -0.739 7.137 2.840 1.00 0.00 C ATOM 377 O THR A 28 -1.557 6.589 3.579 1.00 0.00 O ATOM 378 CB THR A 28 -1.747 9.148 1.760 1.00 0.00 C ATOM 379 OG1 THR A 28 -3.137 9.057 2.095 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.572 10.031 0.534 1.00 0.00 C ATOM 0 H THR A 28 -2.977 6.684 1.376 1.00 0.00 H new ATOM 0 HA THR A 28 -0.307 7.822 0.851 1.00 0.00 H new ATOM 0 HB THR A 28 -1.202 9.596 2.591 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.494 9.955 2.255 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.986 11.019 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.511 10.122 0.300 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.093 9.585 -0.313 1.00 0.00 H new ATOM 388 N TRP A 29 0.551 7.240 3.139 1.00 0.00 N ATOM 389 CA TRP A 29 1.092 6.703 4.382 1.00 0.00 C ATOM 390 C TRP A 29 2.221 7.583 4.909 1.00 0.00 C ATOM 391 O TRP A 29 2.668 8.507 4.230 1.00 0.00 O ATOM 392 CB TRP A 29 1.599 5.276 4.168 1.00 0.00 C ATOM 393 CG TRP A 29 2.774 5.196 3.241 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.091 5.340 3.573 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.738 4.955 1.830 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.876 5.203 2.454 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.070 4.965 1.372 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.711 4.730 0.910 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.398 4.760 0.034 1.00 0.00 C ATOM 400 CZ3 TRP A 29 2.038 4.527 -0.417 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.372 4.542 -0.845 1.00 0.00 C ATOM 0 H TRP A 29 1.241 7.690 2.538 1.00 0.00 H new ATOM 0 HA TRP A 29 0.291 6.689 5.121 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.876 4.848 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.788 4.666 3.769 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.461 5.533 4.569 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.894 5.268 2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.680 4.715 1.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.426 4.773 -0.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.252 4.354 -1.137 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.595 4.378 -1.889 1.00 0.00 H new ATOM 412 N ALA A 30 2.677 7.290 6.122 1.00 0.00 N ATOM 413 CA ALA A 30 3.755 8.053 6.738 1.00 0.00 C ATOM 414 C ALA A 30 4.946 7.157 7.062 1.00 0.00 C ATOM 415 O ALA A 30 4.828 5.932 7.078 1.00 0.00 O ATOM 416 CB ALA A 30 3.258 8.748 7.997 1.00 0.00 C ATOM 0 H ALA A 30 2.316 6.529 6.698 1.00 0.00 H new ATOM 0 HA ALA A 30 4.085 8.809 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.074 9.314 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.444 9.426 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.900 8.002 8.707 1.00 0.00 H new ATOM 422 N ASP A 31 6.093 7.777 7.318 1.00 0.00 N ATOM 423 CA ASP A 31 7.307 7.035 7.641 1.00 0.00 C ATOM 424 C ASP A 31 7.806 7.393 9.038 1.00 0.00 C ATOM 425 O ASP A 31 7.960 8.567 9.370 1.00 0.00 O ATOM 426 CB ASP A 31 8.397 7.322 6.607 1.00 0.00 C ATOM 427 CG ASP A 31 9.693 6.599 6.916 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.895 6.218 8.088 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.504 6.413 5.985 1.00 0.00 O ATOM 0 H ASP A 31 6.208 8.790 7.308 1.00 0.00 H new ATOM 0 HA ASP A 31 7.070 5.971 7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.045 7.024 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.583 8.395 6.568 1.00 0.00 H new ATOM 434 N ASN A 32 8.056 6.372 9.851 1.00 0.00 N ATOM 435 CA ASN A 32 8.536 6.579 11.212 1.00 0.00 C ATOM 436 C ASN A 32 10.056 6.462 11.277 1.00 0.00 C ATOM 437 O ASN A 32 10.702 7.094 12.112 1.00 0.00 O ATOM 438 CB ASN A 32 7.895 5.564 12.161 1.00 0.00 C ATOM 439 CG ASN A 32 6.457 5.912 12.494 1.00 0.00 C ATOM 440 OD1 ASN A 32 5.966 6.982 12.134 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.774 5.007 13.186 1.00 0.00 N ATOM 0 H ASN A 32 7.934 5.393 9.591 1.00 0.00 H new ATOM 0 HA ASN A 32 8.253 7.585 11.521 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.931 4.574 11.707 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.476 5.514 13.082 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.802 5.186 13.440 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.221 4.133 13.464 1.00 0.00 H new ATOM 448 N SER A 33 10.620 5.651 10.388 1.00 0.00 N ATOM 449 CA SER A 33 12.063 5.449 10.345 1.00 0.00 C ATOM 450 C SER A 33 12.795 6.781 10.216 1.00 0.00 C ATOM 451 O SER A 33 13.740 7.059 10.956 1.00 0.00 O ATOM 452 CB SER A 33 12.437 4.533 9.178 1.00 0.00 C ATOM 453 OG SER A 33 12.491 5.256 7.960 1.00 0.00 O ATOM 0 H SER A 33 10.099 5.123 9.688 1.00 0.00 H new ATOM 0 HA SER A 33 12.366 4.977 11.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.404 4.068 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.707 3.728 9.095 1.00 0.00 H new ATOM 0 HG SER A 33 11.630 5.696 7.802 1.00 0.00 H new ATOM 459 N LEU A 34 12.352 7.602 9.270 1.00 0.00 N ATOM 460 CA LEU A 34 12.963 8.907 9.042 1.00 0.00 C ATOM 461 C LEU A 34 13.085 9.687 10.347 1.00 0.00 C ATOM 462 O LEU A 34 12.303 9.509 11.281 1.00 0.00 O ATOM 463 CB LEU A 34 12.141 9.708 8.031 1.00 0.00 C ATOM 464 CG LEU A 34 12.131 9.172 6.599 1.00 0.00 C ATOM 465 CD1 LEU A 34 11.012 9.816 5.796 1.00 0.00 C ATOM 466 CD2 LEU A 34 13.476 9.412 5.930 1.00 0.00 C ATOM 0 H LEU A 34 11.572 7.387 8.649 1.00 0.00 H new ATOM 0 HA LEU A 34 13.964 8.746 8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.112 9.756 8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.520 10.730 8.013 1.00 0.00 H new ATOM 0 HG LEU A 34 11.953 8.097 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.020 9.422 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.053 9.592 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.159 10.896 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.450 9.024 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.685 10.482 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.258 8.903 6.493 1.00 0.00 H new ATOM 478 N PRO A 35 14.088 10.575 10.414 1.00 0.00 N ATOM 479 CA PRO A 35 14.335 11.403 11.599 1.00 0.00 C ATOM 480 C PRO A 35 13.255 12.460 11.803 1.00 0.00 C ATOM 481 O PRO A 35 12.253 12.485 11.088 1.00 0.00 O ATOM 482 CB PRO A 35 15.681 12.065 11.295 1.00 0.00 C ATOM 483 CG PRO A 35 15.769 12.080 9.808 1.00 0.00 C ATOM 484 CD PRO A 35 15.059 10.840 9.339 1.00 0.00 C ATOM 0 HA PRO A 35 14.332 10.814 12.516 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.727 13.074 11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.506 11.505 11.735 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.302 12.976 9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.808 12.083 9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.564 10.999 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.750 10.007 9.207 1.00 0.00 H new ATOM 492 N LYS A 36 13.465 13.332 12.783 1.00 0.00 N ATOM 493 CA LYS A 36 12.510 14.394 13.080 1.00 0.00 C ATOM 494 C LYS A 36 11.874 14.927 11.801 1.00 0.00 C ATOM 495 O LYS A 36 10.687 15.253 11.775 1.00 0.00 O ATOM 496 CB LYS A 36 13.202 15.533 13.832 1.00 0.00 C ATOM 497 CG LYS A 36 13.354 15.275 15.321 1.00 0.00 C ATOM 498 CD LYS A 36 14.041 16.436 16.021 1.00 0.00 C ATOM 499 CE LYS A 36 14.297 16.130 17.488 1.00 0.00 C ATOM 500 NZ LYS A 36 15.488 15.255 17.673 1.00 0.00 N ATOM 0 H LYS A 36 14.288 13.325 13.385 1.00 0.00 H new ATOM 0 HA LYS A 36 11.723 13.977 13.709 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.188 15.697 13.398 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.633 16.451 13.687 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.372 15.111 15.765 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.930 14.363 15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.986 16.654 15.524 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.423 17.330 15.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.443 17.062 18.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.420 15.645 17.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.629 15.070 18.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.338 14.355 17.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.330 15.729 17.288 1.00 0.00 H new ATOM 514 N HIS A 37 12.670 15.012 10.740 1.00 0.00 N ATOM 515 CA HIS A 37 12.183 15.504 9.456 1.00 0.00 C ATOM 516 C HIS A 37 11.877 14.346 8.511 1.00 0.00 C ATOM 517 O HIS A 37 12.449 13.264 8.636 1.00 0.00 O ATOM 518 CB HIS A 37 13.213 16.439 8.820 1.00 0.00 C ATOM 519 CG HIS A 37 14.477 15.747 8.411 1.00 0.00 C ATOM 520 ND1 HIS A 37 14.497 14.633 7.599 1.00 0.00 N ATOM 521 CD2 HIS A 37 15.770 16.019 8.706 1.00 0.00 C ATOM 522 CE1 HIS A 37 15.747 14.248 7.413 1.00 0.00 C ATOM 523 NE2 HIS A 37 16.539 15.073 8.074 1.00 0.00 N ATOM 0 H HIS A 37 13.655 14.747 10.744 1.00 0.00 H new ATOM 0 HA HIS A 37 11.261 16.058 9.633 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.769 16.914 7.945 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.455 17.233 9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.130 16.829 9.323 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.067 13.403 6.821 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.557 15.017 8.109 1.00 0.00 H new ATOM 532 N GLN A 38 10.971 14.582 7.567 1.00 0.00 N ATOM 533 CA GLN A 38 10.589 13.558 6.603 1.00 0.00 C ATOM 534 C GLN A 38 11.092 13.910 5.206 1.00 0.00 C ATOM 535 O GLN A 38 10.452 14.667 4.476 1.00 0.00 O ATOM 536 CB GLN A 38 9.069 13.389 6.582 1.00 0.00 C ATOM 537 CG GLN A 38 8.556 12.372 7.589 1.00 0.00 C ATOM 538 CD GLN A 38 8.960 12.705 9.012 1.00 0.00 C ATOM 539 OE1 GLN A 38 9.255 13.857 9.332 1.00 0.00 O ATOM 540 NE2 GLN A 38 8.975 11.696 9.875 1.00 0.00 N ATOM 0 H GLN A 38 10.489 15.473 7.450 1.00 0.00 H new ATOM 0 HA GLN A 38 11.048 12.618 6.909 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.602 14.353 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.759 13.086 5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.469 12.321 7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.937 11.385 7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.723 10.757 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.238 11.860 10.847 1.00 0.00 H new ATOM 549 N LYS A 39 12.243 13.356 4.841 1.00 0.00 N ATOM 550 CA LYS A 39 12.833 13.610 3.532 1.00 0.00 C ATOM 551 C LYS A 39 13.496 12.351 2.980 1.00 0.00 C ATOM 552 O LYS A 39 14.537 11.920 3.476 1.00 0.00 O ATOM 553 CB LYS A 39 13.859 14.741 3.623 1.00 0.00 C ATOM 554 CG LYS A 39 14.005 15.536 2.336 1.00 0.00 C ATOM 555 CD LYS A 39 15.006 14.890 1.393 1.00 0.00 C ATOM 556 CE LYS A 39 14.820 15.378 -0.036 1.00 0.00 C ATOM 557 NZ LYS A 39 13.700 14.676 -0.721 1.00 0.00 N ATOM 0 H LYS A 39 12.786 12.728 5.433 1.00 0.00 H new ATOM 0 HA LYS A 39 12.034 13.906 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.571 15.418 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.828 14.320 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.036 15.613 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.326 16.551 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.019 15.115 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.892 13.806 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.627 16.451 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.742 15.223 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.628 15.013 -1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.879 13.652 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.809 14.873 -0.221 1.00 0.00 H new ATOM 571 N ILE A 40 12.887 11.769 1.953 1.00 0.00 N ATOM 572 CA ILE A 40 13.420 10.562 1.334 1.00 0.00 C ATOM 573 C ILE A 40 14.622 10.882 0.452 1.00 0.00 C ATOM 574 O ILE A 40 14.493 11.548 -0.576 1.00 0.00 O ATOM 575 CB ILE A 40 12.352 9.845 0.487 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.052 9.702 1.280 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.859 8.482 0.039 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.855 9.355 0.422 1.00 0.00 C ATOM 0 H ILE A 40 12.024 12.114 1.532 1.00 0.00 H new ATOM 0 HA ILE A 40 13.732 9.903 2.144 1.00 0.00 H new ATOM 0 HB ILE A 40 12.150 10.445 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.182 8.929 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.853 10.635 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.093 7.987 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.761 8.608 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.086 7.873 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.969 9.270 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.699 10.139 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.033 8.406 -0.085 1.00 0.00 H new ATOM 590 N THR A 41 15.793 10.401 0.859 1.00 0.00 N ATOM 591 CA THR A 41 17.019 10.634 0.106 1.00 0.00 C ATOM 592 C THR A 41 17.141 9.661 -1.061 1.00 0.00 C ATOM 593 O THR A 41 18.223 9.145 -1.341 1.00 0.00 O ATOM 594 CB THR A 41 18.263 10.501 1.004 1.00 0.00 C ATOM 595 OG1 THR A 41 18.369 9.161 1.498 1.00 0.00 O ATOM 596 CG2 THR A 41 18.196 11.474 2.171 1.00 0.00 C ATOM 0 H THR A 41 15.918 9.847 1.707 1.00 0.00 H new ATOM 0 HA THR A 41 16.965 11.652 -0.279 1.00 0.00 H new ATOM 0 HB THR A 41 19.143 10.738 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.163 9.084 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 41 19.086 11.361 2.791 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.146 12.495 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.309 11.265 2.769 1.00 0.00 H new ATOM 604 N ASP A 42 16.026 9.416 -1.740 1.00 0.00 N ATOM 605 CA ASP A 42 16.008 8.505 -2.879 1.00 0.00 C ATOM 606 C ASP A 42 16.925 7.311 -2.634 1.00 0.00 C ATOM 607 O ASP A 42 17.469 6.731 -3.573 1.00 0.00 O ATOM 608 CB ASP A 42 16.434 9.239 -4.151 1.00 0.00 C ATOM 609 CG ASP A 42 15.562 10.444 -4.445 1.00 0.00 C ATOM 610 OD1 ASP A 42 14.401 10.249 -4.861 1.00 0.00 O ATOM 611 OD2 ASP A 42 16.041 11.582 -4.257 1.00 0.00 O ATOM 0 H ASP A 42 15.122 9.836 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 42 14.989 8.138 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.471 9.560 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.393 8.550 -4.995 1.00 0.00 H new ATOM 616 N SER A 43 17.093 6.950 -1.365 1.00 0.00 N ATOM 617 CA SER A 43 17.948 5.828 -0.996 1.00 0.00 C ATOM 618 C SER A 43 17.167 4.518 -1.022 1.00 0.00 C ATOM 619 O SER A 43 17.404 3.657 -1.869 1.00 0.00 O ATOM 620 CB SER A 43 18.547 6.052 0.394 1.00 0.00 C ATOM 621 OG SER A 43 19.190 4.880 0.866 1.00 0.00 O ATOM 0 H SER A 43 16.648 7.419 -0.576 1.00 0.00 H new ATOM 0 HA SER A 43 18.756 5.763 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.262 6.874 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.761 6.345 1.090 1.00 0.00 H new ATOM 0 HG SER A 43 19.566 5.049 1.755 1.00 0.00 H new ATOM 627 N ARG A 44 16.233 4.375 -0.086 1.00 0.00 N ATOM 628 CA ARG A 44 15.417 3.171 0.001 1.00 0.00 C ATOM 629 C ARG A 44 14.270 3.217 -1.005 1.00 0.00 C ATOM 630 O ARG A 44 14.093 4.207 -1.715 1.00 0.00 O ATOM 631 CB ARG A 44 14.861 3.006 1.417 1.00 0.00 C ATOM 632 CG ARG A 44 13.617 3.838 1.683 1.00 0.00 C ATOM 633 CD ARG A 44 13.848 5.306 1.359 1.00 0.00 C ATOM 634 NE ARG A 44 14.800 5.925 2.278 1.00 0.00 N ATOM 635 CZ ARG A 44 14.548 6.135 3.565 1.00 0.00 C ATOM 636 NH1 ARG A 44 13.382 5.776 4.083 1.00 0.00 N ATOM 637 NH2 ARG A 44 15.465 6.704 4.337 1.00 0.00 N ATOM 0 H ARG A 44 16.023 5.079 0.622 1.00 0.00 H new ATOM 0 HA ARG A 44 16.051 2.316 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.628 1.955 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.633 3.281 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.789 3.458 1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.327 3.736 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.217 5.398 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.899 5.841 1.405 1.00 0.00 H new ATOM 0 HE ARG A 44 15.708 6.212 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.675 5.337 3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.191 5.939 5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.364 6.980 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.271 6.865 5.325 1.00 0.00 H new ATOM 651 N TYR A 45 13.495 2.140 -1.061 1.00 0.00 N ATOM 652 CA TYR A 45 12.368 2.056 -1.981 1.00 0.00 C ATOM 653 C TYR A 45 11.160 1.413 -1.306 1.00 0.00 C ATOM 654 O TYR A 45 11.304 0.522 -0.469 1.00 0.00 O ATOM 655 CB TYR A 45 12.757 1.256 -3.226 1.00 0.00 C ATOM 656 CG TYR A 45 13.029 -0.205 -2.946 1.00 0.00 C ATOM 657 CD1 TYR A 45 14.302 -0.640 -2.601 1.00 0.00 C ATOM 658 CD2 TYR A 45 12.013 -1.149 -3.028 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.556 -1.974 -2.346 1.00 0.00 C ATOM 660 CE2 TYR A 45 12.257 -2.484 -2.773 1.00 0.00 C ATOM 661 CZ TYR A 45 13.530 -2.892 -2.432 1.00 0.00 C ATOM 662 OH TYR A 45 13.778 -4.222 -2.178 1.00 0.00 O ATOM 0 H TYR A 45 13.627 1.312 -0.479 1.00 0.00 H new ATOM 0 HA TYR A 45 12.098 3.069 -2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.957 1.333 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.645 1.703 -3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.107 0.077 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.015 -0.833 -3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.552 -2.296 -2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.456 -3.205 -2.840 1.00 0.00 H new ATOM 0 HH TYR A 45 12.949 -4.735 -2.281 1.00 0.00 H new ATOM 672 N TYR A 46 9.970 1.870 -1.678 1.00 0.00 N ATOM 673 CA TYR A 46 8.736 1.342 -1.108 1.00 0.00 C ATOM 674 C TYR A 46 8.070 0.360 -2.068 1.00 0.00 C ATOM 675 O TYR A 46 8.171 0.499 -3.287 1.00 0.00 O ATOM 676 CB TYR A 46 7.772 2.483 -0.778 1.00 0.00 C ATOM 677 CG TYR A 46 8.207 3.320 0.403 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.891 2.940 1.702 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.931 4.491 0.222 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.286 3.701 2.785 1.00 0.00 C ATOM 681 CE2 TYR A 46 9.331 5.259 1.299 1.00 0.00 C ATOM 682 CZ TYR A 46 9.006 4.860 2.578 1.00 0.00 C ATOM 683 OH TYR A 46 9.401 5.622 3.654 1.00 0.00 O ATOM 0 H TYR A 46 9.833 2.605 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 46 8.988 0.811 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.672 3.127 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.786 2.067 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.327 2.034 1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.186 4.807 -0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.033 3.391 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.895 6.166 1.140 1.00 0.00 H new ATOM 0 HH TYR A 46 9.888 5.060 4.292 1.00 0.00 H new ATOM 693 N THR A 47 7.387 -0.633 -1.507 1.00 0.00 N ATOM 694 CA THR A 47 6.704 -1.639 -2.311 1.00 0.00 C ATOM 695 C THR A 47 5.262 -1.825 -1.850 1.00 0.00 C ATOM 696 O THR A 47 5.009 -2.367 -0.774 1.00 0.00 O ATOM 697 CB THR A 47 7.430 -2.996 -2.247 1.00 0.00 C ATOM 698 OG1 THR A 47 8.795 -2.841 -2.650 1.00 0.00 O ATOM 699 CG2 THR A 47 6.745 -4.018 -3.143 1.00 0.00 C ATOM 0 H THR A 47 7.292 -0.762 -0.500 1.00 0.00 H new ATOM 0 HA THR A 47 6.710 -1.280 -3.340 1.00 0.00 H new ATOM 0 HB THR A 47 7.394 -3.355 -1.218 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.250 -3.708 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.275 -4.969 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.714 -4.155 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.755 -3.663 -4.173 1.00 0.00 H new ATOM 707 N VAL A 48 4.320 -1.372 -2.672 1.00 0.00 N ATOM 708 CA VAL A 48 2.903 -1.491 -2.349 1.00 0.00 C ATOM 709 C VAL A 48 2.307 -2.760 -2.948 1.00 0.00 C ATOM 710 O VAL A 48 2.358 -2.969 -4.160 1.00 0.00 O ATOM 711 CB VAL A 48 2.109 -0.273 -2.858 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.624 -0.452 -2.582 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.628 1.006 -2.220 1.00 0.00 C ATOM 0 H VAL A 48 4.513 -0.920 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 48 2.828 -1.537 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 48 2.247 -0.195 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.078 0.418 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.265 -1.346 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.463 -0.556 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.056 1.856 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.521 0.942 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.680 1.138 -2.474 1.00 0.00 H new ATOM 723 N ARG A 49 1.743 -3.603 -2.090 1.00 0.00 N ATOM 724 CA ARG A 49 1.137 -4.853 -2.535 1.00 0.00 C ATOM 725 C ARG A 49 -0.385 -4.759 -2.507 1.00 0.00 C ATOM 726 O ARG A 49 -0.961 -4.106 -1.637 1.00 0.00 O ATOM 727 CB ARG A 49 1.604 -6.013 -1.653 1.00 0.00 C ATOM 728 CG ARG A 49 0.729 -6.238 -0.430 1.00 0.00 C ATOM 729 CD ARG A 49 1.520 -6.851 0.715 1.00 0.00 C ATOM 730 NE ARG A 49 1.726 -8.285 0.531 1.00 0.00 N ATOM 731 CZ ARG A 49 0.811 -9.203 0.824 1.00 0.00 C ATOM 732 NH1 ARG A 49 -0.366 -8.837 1.312 1.00 0.00 N ATOM 733 NH2 ARG A 49 1.073 -10.489 0.629 1.00 0.00 N ATOM 0 H ARG A 49 1.693 -3.444 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 49 1.453 -5.036 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.624 -6.926 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.627 -5.822 -1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.299 -5.289 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.102 -6.893 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.486 -6.353 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.993 -6.678 1.653 1.00 0.00 H new ATOM 0 HE ARG A 49 2.621 -8.599 0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.571 -7.849 1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.067 -9.543 1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.978 -10.774 0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.370 -11.193 0.854 1.00 0.00 H new ATOM 747 N TRP A 50 -1.031 -5.415 -3.464 1.00 0.00 N ATOM 748 CA TRP A 50 -2.487 -5.405 -3.550 1.00 0.00 C ATOM 749 C TRP A 50 -2.999 -6.656 -4.255 1.00 0.00 C ATOM 750 O TRP A 50 -2.345 -7.188 -5.152 1.00 0.00 O ATOM 751 CB TRP A 50 -2.966 -4.155 -4.289 1.00 0.00 C ATOM 752 CG TRP A 50 -2.728 -4.211 -5.768 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.600 -4.650 -6.723 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.538 -3.818 -6.460 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.024 -4.552 -7.966 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.759 -4.044 -7.832 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.307 -3.294 -6.054 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.796 -3.766 -8.798 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.649 -3.019 -7.013 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.400 -3.254 -8.372 1.00 0.00 C ATOM 0 H TRP A 50 -0.570 -5.961 -4.192 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.886 -5.394 -2.536 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.032 -4.019 -4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.458 -3.282 -3.879 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.596 -5.020 -6.529 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.467 -4.815 -8.847 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.107 -3.107 -5.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.986 -3.948 -9.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.604 -2.616 -6.710 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.167 -3.027 -9.098 1.00 0.00 H new ATOM 771 N LYS A 51 -4.174 -7.122 -3.845 1.00 0.00 N ATOM 772 CA LYS A 51 -4.776 -8.310 -4.438 1.00 0.00 C ATOM 773 C LYS A 51 -6.291 -8.298 -4.262 1.00 0.00 C ATOM 774 O LYS A 51 -6.854 -7.358 -3.701 1.00 0.00 O ATOM 775 CB LYS A 51 -4.188 -9.574 -3.807 1.00 0.00 C ATOM 776 CG LYS A 51 -4.308 -9.610 -2.293 1.00 0.00 C ATOM 777 CD LYS A 51 -5.606 -10.266 -1.852 1.00 0.00 C ATOM 778 CE LYS A 51 -5.842 -10.086 -0.360 1.00 0.00 C ATOM 779 NZ LYS A 51 -4.957 -10.967 0.451 1.00 0.00 N ATOM 0 H LYS A 51 -4.729 -6.694 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.552 -8.306 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.692 -10.446 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.136 -9.652 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.463 -10.155 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.260 -8.595 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.439 -9.836 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.578 -11.329 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.667 -9.045 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.884 -10.305 -0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.998 -10.676 1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.275 -11.953 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.979 -10.888 0.107 1.00 0.00 H new ATOM 793 N THR A 52 -6.947 -9.350 -4.743 1.00 0.00 N ATOM 794 CA THR A 52 -8.396 -9.460 -4.639 1.00 0.00 C ATOM 795 C THR A 52 -8.796 -10.362 -3.476 1.00 0.00 C ATOM 796 O THR A 52 -8.391 -11.521 -3.410 1.00 0.00 O ATOM 797 CB THR A 52 -9.013 -10.013 -5.938 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.460 -11.300 -6.233 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.759 -9.067 -7.102 1.00 0.00 C ATOM 0 H THR A 52 -6.497 -10.138 -5.209 1.00 0.00 H new ATOM 0 HA THR A 52 -8.778 -8.454 -4.464 1.00 0.00 H new ATOM 0 HB THR A 52 -10.089 -10.105 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.338 -11.802 -5.400 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.204 -9.478 -8.008 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.206 -8.097 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.685 -8.948 -7.246 1.00 0.00 H new ATOM 807 N ASN A 53 -9.595 -9.821 -2.562 1.00 0.00 N ATOM 808 CA ASN A 53 -10.050 -10.578 -1.401 1.00 0.00 C ATOM 809 C ASN A 53 -10.756 -11.860 -1.830 1.00 0.00 C ATOM 810 O ASN A 53 -10.743 -12.858 -1.110 1.00 0.00 O ATOM 811 CB ASN A 53 -10.991 -9.725 -0.548 1.00 0.00 C ATOM 812 CG ASN A 53 -10.945 -10.106 0.920 1.00 0.00 C ATOM 813 OD1 ASN A 53 -9.879 -10.123 1.535 1.00 0.00 O ATOM 814 ND2 ASN A 53 -12.106 -10.414 1.487 1.00 0.00 N ATOM 0 H ASN A 53 -9.941 -8.862 -2.603 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.176 -10.847 -0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.723 -8.674 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.011 -9.834 -0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.138 -10.678 2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.965 -10.386 0.938 1.00 0.00 H new ATOM 821 N ILE A 54 -11.369 -11.825 -3.008 1.00 0.00 N ATOM 822 CA ILE A 54 -12.079 -12.985 -3.534 1.00 0.00 C ATOM 823 C ILE A 54 -11.602 -13.329 -4.941 1.00 0.00 C ATOM 824 O ILE A 54 -11.541 -12.478 -5.829 1.00 0.00 O ATOM 825 CB ILE A 54 -13.600 -12.748 -3.563 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.084 -12.231 -2.207 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.329 -14.031 -3.938 1.00 0.00 C ATOM 828 CD1 ILE A 54 -13.915 -13.231 -1.084 1.00 0.00 C ATOM 0 H ILE A 54 -11.389 -11.007 -3.616 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.862 -13.818 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.821 -11.993 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.538 -11.321 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.137 -11.959 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.403 -13.848 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.002 -14.360 -4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.104 -14.805 -3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -14.279 -12.797 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.484 -14.133 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.860 -13.485 -0.978 1.00 0.00 H new ATOM 840 N PRO A 55 -11.258 -14.608 -5.153 1.00 0.00 N ATOM 841 CA PRO A 55 -11.326 -15.630 -4.104 1.00 0.00 C ATOM 842 C PRO A 55 -10.271 -15.422 -3.023 1.00 0.00 C ATOM 843 O PRO A 55 -9.471 -14.490 -3.094 1.00 0.00 O ATOM 844 CB PRO A 55 -11.065 -16.934 -4.862 1.00 0.00 C ATOM 845 CG PRO A 55 -10.279 -16.525 -6.060 1.00 0.00 C ATOM 846 CD PRO A 55 -10.774 -15.155 -6.432 1.00 0.00 C ATOM 0 HA PRO A 55 -12.280 -15.611 -3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.511 -17.644 -4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.998 -17.420 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.212 -16.508 -5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.423 -17.228 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.979 -14.542 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.570 -15.203 -7.175 1.00 0.00 H new ATOM 854 N ALA A 56 -10.275 -16.298 -2.023 1.00 0.00 N ATOM 855 CA ALA A 56 -9.316 -16.211 -0.928 1.00 0.00 C ATOM 856 C ALA A 56 -7.907 -16.546 -1.405 1.00 0.00 C ATOM 857 O ALA A 56 -6.970 -15.778 -1.189 1.00 0.00 O ATOM 858 CB ALA A 56 -9.726 -17.139 0.206 1.00 0.00 C ATOM 0 H ALA A 56 -10.931 -17.075 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.312 -15.185 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.002 -17.064 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.712 -16.852 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.759 -18.166 -0.158 1.00 0.00 H new ATOM 864 N ASN A 57 -7.764 -17.697 -2.054 1.00 0.00 N ATOM 865 CA ASN A 57 -6.468 -18.133 -2.560 1.00 0.00 C ATOM 866 C ASN A 57 -6.150 -17.462 -3.893 1.00 0.00 C ATOM 867 O ASN A 57 -6.632 -17.884 -4.945 1.00 0.00 O ATOM 868 CB ASN A 57 -6.447 -19.654 -2.725 1.00 0.00 C ATOM 869 CG ASN A 57 -6.772 -20.380 -1.434 1.00 0.00 C ATOM 870 OD1 ASN A 57 -7.906 -20.807 -1.217 1.00 0.00 O ATOM 871 ND2 ASN A 57 -5.775 -20.523 -0.568 1.00 0.00 N ATOM 0 H ASN A 57 -8.530 -18.344 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.707 -17.842 -1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.165 -19.943 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.463 -19.965 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.934 -21.003 0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.850 -20.153 -0.789 1.00 0.00 H new ATOM 878 N THR A 58 -5.335 -16.412 -3.841 1.00 0.00 N ATOM 879 CA THR A 58 -4.953 -15.682 -5.043 1.00 0.00 C ATOM 880 C THR A 58 -3.505 -15.210 -4.963 1.00 0.00 C ATOM 881 O THR A 58 -2.929 -15.123 -3.878 1.00 0.00 O ATOM 882 CB THR A 58 -5.866 -14.463 -5.274 1.00 0.00 C ATOM 883 OG1 THR A 58 -5.830 -13.601 -4.131 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.298 -14.902 -5.538 1.00 0.00 C ATOM 0 H THR A 58 -4.927 -16.049 -2.979 1.00 0.00 H new ATOM 0 HA THR A 58 -5.062 -16.372 -5.880 1.00 0.00 H new ATOM 0 HB THR A 58 -5.501 -13.924 -6.148 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.412 -12.828 -4.286 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.924 -14.024 -5.698 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.327 -15.535 -6.425 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.671 -15.462 -4.680 1.00 0.00 H new ATOM 892 N LYS A 59 -2.922 -14.906 -6.117 1.00 0.00 N ATOM 893 CA LYS A 59 -1.542 -14.441 -6.179 1.00 0.00 C ATOM 894 C LYS A 59 -1.422 -13.021 -5.634 1.00 0.00 C ATOM 895 O LYS A 59 -2.383 -12.252 -5.662 1.00 0.00 O ATOM 896 CB LYS A 59 -1.028 -14.491 -7.619 1.00 0.00 C ATOM 897 CG LYS A 59 -1.270 -15.825 -8.305 1.00 0.00 C ATOM 898 CD LYS A 59 -0.416 -16.926 -7.699 1.00 0.00 C ATOM 899 CE LYS A 59 -1.138 -17.627 -6.559 1.00 0.00 C ATOM 900 NZ LYS A 59 -2.064 -18.683 -7.055 1.00 0.00 N ATOM 0 H LYS A 59 -3.385 -14.973 -7.024 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.935 -15.102 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.511 -13.702 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.041 -14.279 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.323 -16.092 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.048 -15.734 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.157 -17.653 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.519 -16.503 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.406 -18.073 -5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.700 -16.894 -5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.537 -19.137 -6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.778 -18.254 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.525 -19.396 -7.586 1.00 0.00 H new ATOM 914 N TYR A 60 -0.236 -12.679 -5.142 1.00 0.00 N ATOM 915 CA TYR A 60 0.009 -11.352 -4.591 1.00 0.00 C ATOM 916 C TYR A 60 0.772 -10.482 -5.584 1.00 0.00 C ATOM 917 O TYR A 60 1.686 -10.950 -6.264 1.00 0.00 O ATOM 918 CB TYR A 60 0.793 -11.457 -3.281 1.00 0.00 C ATOM 919 CG TYR A 60 -0.085 -11.634 -2.063 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.871 -10.590 -1.591 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.128 -12.845 -1.383 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.674 -10.747 -0.478 1.00 0.00 C ATOM 923 CE2 TYR A 60 -0.929 -13.011 -0.270 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.700 -11.959 0.179 1.00 0.00 C ATOM 925 OH TYR A 60 -2.498 -12.120 1.288 1.00 0.00 O ATOM 0 H TYR A 60 0.571 -13.303 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.956 -10.885 -4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.483 -12.298 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.397 -10.558 -3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.854 -9.639 -2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.475 -13.671 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.278 -9.925 -0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.952 -13.959 0.246 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.401 -13.033 1.631 1.00 0.00 H new ATOM 935 N LYS A 61 0.391 -9.211 -5.663 1.00 0.00 N ATOM 936 CA LYS A 61 1.039 -8.272 -6.571 1.00 0.00 C ATOM 937 C LYS A 61 1.882 -7.262 -5.799 1.00 0.00 C ATOM 938 O LYS A 61 1.702 -7.081 -4.596 1.00 0.00 O ATOM 939 CB LYS A 61 -0.009 -7.541 -7.413 1.00 0.00 C ATOM 940 CG LYS A 61 -0.624 -8.402 -8.502 1.00 0.00 C ATOM 941 CD LYS A 61 -1.162 -7.557 -9.645 1.00 0.00 C ATOM 942 CE LYS A 61 -2.041 -8.376 -10.578 1.00 0.00 C ATOM 943 NZ LYS A 61 -2.102 -7.785 -11.943 1.00 0.00 N ATOM 0 H LYS A 61 -0.364 -8.808 -5.108 1.00 0.00 H new ATOM 0 HA LYS A 61 1.697 -8.838 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.801 -7.179 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.451 -6.665 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.124 -9.097 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.431 -9.002 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.736 -6.722 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.331 -7.131 -10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.656 -9.394 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.048 -8.441 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.710 -8.372 -12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.493 -6.823 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.145 -7.746 -12.348 1.00 0.00 H new ATOM 957 N ASN A 62 2.801 -6.607 -6.500 1.00 0.00 N ATOM 958 CA ASN A 62 3.671 -5.614 -5.880 1.00 0.00 C ATOM 959 C ASN A 62 4.292 -4.701 -6.933 1.00 0.00 C ATOM 960 O ASN A 62 4.709 -5.158 -7.997 1.00 0.00 O ATOM 961 CB ASN A 62 4.773 -6.304 -5.073 1.00 0.00 C ATOM 962 CG ASN A 62 5.532 -7.330 -5.892 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.582 -7.032 -6.462 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.003 -8.546 -5.954 1.00 0.00 N ATOM 0 H ASN A 62 2.963 -6.746 -7.497 1.00 0.00 H new ATOM 0 HA ASN A 62 3.065 -5.005 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.470 -5.554 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.332 -6.791 -4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.469 -9.278 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.131 -8.748 -5.466 1.00 0.00 H new ATOM 971 N ALA A 63 4.350 -3.409 -6.628 1.00 0.00 N ATOM 972 CA ALA A 63 4.922 -2.432 -7.547 1.00 0.00 C ATOM 973 C ALA A 63 6.119 -1.726 -6.920 1.00 0.00 C ATOM 974 O ALA A 63 6.487 -2.001 -5.779 1.00 0.00 O ATOM 975 CB ALA A 63 3.867 -1.418 -7.963 1.00 0.00 C ATOM 0 H ALA A 63 4.008 -3.014 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 63 5.269 -2.963 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.308 -0.695 -8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.043 -1.932 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.493 -0.899 -7.080 1.00 0.00 H new ATOM 981 N ASN A 64 6.724 -0.814 -7.675 1.00 0.00 N ATOM 982 CA ASN A 64 7.882 -0.069 -7.194 1.00 0.00 C ATOM 983 C ASN A 64 7.671 1.433 -7.365 1.00 0.00 C ATOM 984 O ASN A 64 7.489 1.921 -8.479 1.00 0.00 O ATOM 985 CB ASN A 64 9.143 -0.506 -7.941 1.00 0.00 C ATOM 986 CG ASN A 64 9.206 0.055 -9.348 1.00 0.00 C ATOM 987 OD1 ASN A 64 8.393 -0.294 -10.205 1.00 0.00 O ATOM 988 ND2 ASN A 64 10.174 0.930 -9.593 1.00 0.00 N ATOM 0 H ASN A 64 6.431 -0.573 -8.622 1.00 0.00 H new ATOM 0 HA ASN A 64 8.005 -0.283 -6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.022 -0.182 -7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.177 -1.595 -7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.266 1.342 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.826 1.190 -8.853 1.00 0.00 H new ATOM 995 N ALA A 65 7.698 2.159 -6.252 1.00 0.00 N ATOM 996 CA ALA A 65 7.513 3.605 -6.278 1.00 0.00 C ATOM 997 C ALA A 65 8.130 4.259 -5.047 1.00 0.00 C ATOM 998 O ALA A 65 7.690 4.026 -3.921 1.00 0.00 O ATOM 999 CB ALA A 65 6.034 3.946 -6.375 1.00 0.00 C ATOM 0 H ALA A 65 7.846 1.769 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 65 8.023 3.996 -7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.911 5.029 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.621 3.518 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.509 3.536 -5.513 1.00 0.00 H new ATOM 1005 N THR A 66 9.152 5.080 -5.268 1.00 0.00 N ATOM 1006 CA THR A 66 9.830 5.768 -4.176 1.00 0.00 C ATOM 1007 C THR A 66 9.085 7.037 -3.778 1.00 0.00 C ATOM 1008 O THR A 66 9.254 8.088 -4.396 1.00 0.00 O ATOM 1009 CB THR A 66 11.278 6.133 -4.556 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.280 7.218 -5.491 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.998 4.936 -5.158 1.00 0.00 C ATOM 0 H THR A 66 9.528 5.285 -6.194 1.00 0.00 H new ATOM 0 HA THR A 66 9.846 5.080 -3.330 1.00 0.00 H new ATOM 0 HB THR A 66 11.803 6.434 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.784 7.975 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.018 5.218 -5.418 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.020 4.122 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.472 4.608 -6.055 1.00 0.00 H new ATOM 1019 N THR A 67 8.260 6.932 -2.741 1.00 0.00 N ATOM 1020 CA THR A 67 7.488 8.072 -2.261 1.00 0.00 C ATOM 1021 C THR A 67 6.717 7.718 -0.995 1.00 0.00 C ATOM 1022 O THR A 67 6.671 6.557 -0.587 1.00 0.00 O ATOM 1023 CB THR A 67 6.498 8.570 -3.330 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.440 9.311 -2.711 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.915 7.404 -4.114 1.00 0.00 C ATOM 0 H THR A 67 8.109 6.070 -2.218 1.00 0.00 H new ATOM 0 HA THR A 67 8.201 8.867 -2.039 1.00 0.00 H new ATOM 0 HB THR A 67 7.039 9.217 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.816 9.626 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.219 7.781 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.720 6.859 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.388 6.735 -3.433 1.00 0.00 H new ATOM 1033 N LEU A 68 6.111 8.726 -0.376 1.00 0.00 N ATOM 1034 CA LEU A 68 5.339 8.522 0.845 1.00 0.00 C ATOM 1035 C LEU A 68 3.867 8.282 0.525 1.00 0.00 C ATOM 1036 O LEU A 68 3.000 8.448 1.383 1.00 0.00 O ATOM 1037 CB LEU A 68 5.481 9.731 1.770 1.00 0.00 C ATOM 1038 CG LEU A 68 6.644 9.684 2.762 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.022 11.088 3.209 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.286 8.819 3.962 1.00 0.00 C ATOM 0 H LEU A 68 6.140 9.693 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 68 5.731 7.639 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.591 10.624 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.554 9.844 2.332 1.00 0.00 H new ATOM 0 HG LEU A 68 7.505 9.240 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.851 11.034 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.321 11.678 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.165 11.559 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.125 8.797 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.411 9.234 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.065 7.805 3.627 1.00 0.00 H new ATOM 1052 N SER A 69 3.592 7.889 -0.715 1.00 0.00 N ATOM 1053 CA SER A 69 2.225 7.628 -1.149 1.00 0.00 C ATOM 1054 C SER A 69 2.210 6.774 -2.413 1.00 0.00 C ATOM 1055 O SER A 69 3.260 6.396 -2.933 1.00 0.00 O ATOM 1056 CB SER A 69 1.487 8.944 -1.399 1.00 0.00 C ATOM 1057 OG SER A 69 0.274 8.724 -2.098 1.00 0.00 O ATOM 0 H SER A 69 4.298 7.744 -1.437 1.00 0.00 H new ATOM 0 HA SER A 69 1.716 7.080 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.278 9.434 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.123 9.618 -1.972 1.00 0.00 H new ATOM 0 HG SER A 69 -0.358 8.253 -1.516 1.00 0.00 H new ATOM 1063 N TYR A 70 1.012 6.476 -2.904 1.00 0.00 N ATOM 1064 CA TYR A 70 0.858 5.665 -4.106 1.00 0.00 C ATOM 1065 C TYR A 70 -0.562 5.767 -4.654 1.00 0.00 C ATOM 1066 O TYR A 70 -1.524 5.904 -3.897 1.00 0.00 O ATOM 1067 CB TYR A 70 1.198 4.204 -3.808 1.00 0.00 C ATOM 1068 CG TYR A 70 1.416 3.368 -5.049 1.00 0.00 C ATOM 1069 CD1 TYR A 70 0.362 3.073 -5.905 1.00 0.00 C ATOM 1070 CD2 TYR A 70 2.674 2.872 -5.365 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.555 2.309 -7.039 1.00 0.00 C ATOM 1072 CE2 TYR A 70 2.877 2.108 -6.498 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.815 1.829 -7.332 1.00 0.00 C ATOM 1074 OH TYR A 70 2.013 1.067 -8.460 1.00 0.00 O ATOM 0 H TYR A 70 0.133 6.784 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 70 1.547 6.045 -4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.097 4.167 -3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.392 3.764 -3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.625 3.448 -5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.508 3.087 -4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.276 2.088 -7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.862 1.731 -6.729 1.00 0.00 H new ATOM 0 HH TYR A 70 2.926 1.202 -8.790 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.685 5.699 -5.975 1.00 0.00 N ATOM 1085 CA LEU A 71 -1.988 5.783 -6.627 1.00 0.00 C ATOM 1086 C LEU A 71 -2.292 4.504 -7.401 1.00 0.00 C ATOM 1087 O LEU A 71 -1.717 4.256 -8.461 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.031 6.986 -7.570 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.416 7.575 -7.843 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.442 6.466 -8.018 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -3.828 8.513 -6.718 1.00 0.00 C ATOM 0 H LEU A 71 0.101 5.586 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.747 5.908 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.400 7.771 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.589 6.692 -8.522 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.370 8.149 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.421 6.904 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.155 5.834 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.486 5.865 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.816 8.923 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.857 7.963 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.107 9.327 -6.640 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.201 3.696 -6.865 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.585 2.445 -7.508 1.00 0.00 C ATOM 1105 C VAL A 72 -4.643 2.679 -8.580 1.00 0.00 C ATOM 1106 O VAL A 72 -5.669 3.311 -8.329 1.00 0.00 O ATOM 1107 CB VAL A 72 -4.125 1.430 -6.482 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -4.120 0.026 -7.067 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -3.311 1.486 -5.199 1.00 0.00 C ATOM 0 H VAL A 72 -3.685 3.885 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.686 2.039 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.155 1.694 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.505 -0.677 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.751 -0.000 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.101 -0.252 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.706 0.763 -4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.270 1.248 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.373 2.487 -4.772 1.00 0.00 H new ATOM 1119 N THR A 73 -4.386 2.165 -9.779 1.00 0.00 N ATOM 1120 CA THR A 73 -5.316 2.319 -10.891 1.00 0.00 C ATOM 1121 C THR A 73 -5.518 0.998 -11.625 1.00 0.00 C ATOM 1122 O THR A 73 -4.593 0.196 -11.746 1.00 0.00 O ATOM 1123 CB THR A 73 -4.822 3.380 -11.893 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.580 2.965 -12.474 1.00 0.00 O ATOM 1125 CG2 THR A 73 -4.644 4.727 -11.211 1.00 0.00 C ATOM 0 H THR A 73 -3.542 1.639 -10.005 1.00 0.00 H new ATOM 0 HA THR A 73 -6.266 2.645 -10.467 1.00 0.00 H new ATOM 0 HB THR A 73 -5.572 3.484 -12.677 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.274 3.644 -13.111 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.295 5.460 -11.938 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.598 5.054 -10.796 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.912 4.635 -10.409 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.734 0.778 -12.115 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.035 -0.447 -12.832 1.00 0.00 C ATOM 1135 C GLY A 74 -7.529 -1.549 -11.915 1.00 0.00 C ATOM 1136 O GLY A 74 -6.981 -2.652 -11.907 1.00 0.00 O ATOM 0 H GLY A 74 -7.516 1.427 -12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.791 -0.244 -13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.141 -0.787 -13.355 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.565 -1.251 -11.139 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.132 -2.224 -10.212 1.00 0.00 C ATOM 1142 C LEU A 75 -10.558 -2.590 -10.612 1.00 0.00 C ATOM 1143 O LEU A 75 -11.083 -2.091 -11.607 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.116 -1.670 -8.787 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.788 -1.080 -8.311 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.023 -0.041 -7.226 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.865 -2.180 -7.807 1.00 0.00 C ATOM 0 H LEU A 75 -9.030 -0.343 -11.133 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.521 -3.125 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.882 -0.898 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.400 -2.471 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.307 -0.589 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.066 0.367 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.645 0.762 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.526 -0.507 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.925 -1.741 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.339 -2.700 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.669 -2.888 -8.612 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.181 -3.462 -9.827 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.548 -3.893 -10.096 1.00 0.00 C ATOM 1161 C LYS A 76 -13.532 -3.197 -9.160 1.00 0.00 C ATOM 1162 O LYS A 76 -13.277 -3.028 -7.967 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.667 -5.411 -9.940 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.381 -6.177 -11.220 1.00 0.00 C ATOM 1165 CD LYS A 76 -10.926 -6.042 -11.638 1.00 0.00 C ATOM 1166 CE LYS A 76 -10.763 -6.188 -13.143 1.00 0.00 C ATOM 1167 NZ LYS A 76 -10.976 -7.592 -13.591 1.00 0.00 N ATOM 0 H LYS A 76 -10.761 -3.884 -8.999 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.793 -3.619 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.976 -5.744 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.672 -5.655 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.623 -7.230 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.025 -5.808 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.544 -5.071 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.329 -6.800 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.472 -5.534 -13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.764 -5.862 -13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.856 -7.649 -14.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.283 -8.213 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.938 -7.895 -13.337 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.684 -2.786 -9.710 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.729 -2.104 -8.941 1.00 0.00 C ATOM 1183 C PRO A 77 -16.421 -3.035 -7.951 1.00 0.00 C ATOM 1184 O PRO A 77 -16.289 -4.255 -8.036 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.715 -1.640 -10.016 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.512 -2.585 -11.149 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.055 -2.955 -11.125 1.00 0.00 C ATOM 0 HA PRO A 77 -15.325 -1.293 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.742 -1.673 -9.652 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.517 -0.612 -10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.141 -3.468 -11.037 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.781 -2.120 -12.098 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.895 -3.979 -11.463 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.465 -2.309 -11.775 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.158 -2.451 -7.012 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.871 -3.229 -6.005 1.00 0.00 C ATOM 1197 C ASN A 78 -17.055 -4.446 -5.580 1.00 0.00 C ATOM 1198 O ASN A 78 -17.544 -5.576 -5.607 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.231 -3.676 -6.545 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.103 -4.647 -7.702 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.242 -5.858 -7.528 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -18.838 -4.120 -8.891 1.00 0.00 N ATOM 0 H ASN A 78 -17.277 -1.442 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 78 -18.025 -2.594 -5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.801 -4.144 -5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.795 -2.802 -6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -18.742 -4.725 -9.707 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -18.731 -3.110 -8.989 1.00 0.00 H new ATOM 1209 N THR A 79 -15.807 -4.208 -5.187 1.00 0.00 N ATOM 1210 CA THR A 79 -14.923 -5.283 -4.757 1.00 0.00 C ATOM 1211 C THR A 79 -13.992 -4.817 -3.644 1.00 0.00 C ATOM 1212 O THR A 79 -13.628 -3.642 -3.576 1.00 0.00 O ATOM 1213 CB THR A 79 -14.077 -5.817 -5.928 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.931 -6.355 -6.944 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.109 -6.889 -5.452 1.00 0.00 C ATOM 0 H THR A 79 -15.386 -3.279 -5.158 1.00 0.00 H new ATOM 0 HA THR A 79 -15.560 -6.085 -4.383 1.00 0.00 H new ATOM 0 HB THR A 79 -13.502 -4.988 -6.339 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.331 -5.622 -7.457 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.523 -7.251 -6.297 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.441 -6.468 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.668 -7.717 -5.017 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.609 -5.744 -2.773 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.718 -5.428 -1.661 1.00 0.00 C ATOM 1225 C LEU A 80 -11.269 -5.739 -2.019 1.00 0.00 C ATOM 1226 O LEU A 80 -10.929 -6.879 -2.340 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.128 -6.214 -0.414 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.235 -6.037 0.814 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -12.615 -4.774 1.572 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -12.330 -7.254 1.722 1.00 0.00 C ATOM 0 H LEU A 80 -13.901 -6.720 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.800 -4.361 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.144 -5.925 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.155 -7.273 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.203 -5.939 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.969 -4.664 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.496 -3.909 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.653 -4.843 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.688 -7.111 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.361 -7.383 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.009 -8.141 1.176 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.419 -4.720 -1.961 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.005 -4.885 -2.279 1.00 0.00 C ATOM 1244 C TYR A 81 -8.132 -4.544 -1.075 1.00 0.00 C ATOM 1245 O TYR A 81 -8.514 -3.738 -0.228 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.622 -4.001 -3.468 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.918 -4.630 -4.810 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -10.226 -4.850 -5.224 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -7.889 -5.005 -5.665 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -10.500 -5.425 -6.450 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -8.154 -5.579 -6.894 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.461 -5.788 -7.281 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.730 -6.360 -8.503 1.00 0.00 O ATOM 0 H TYR A 81 -10.684 -3.771 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.837 -5.929 -2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.158 -3.055 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.558 -3.771 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.042 -4.567 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.864 -4.845 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.523 -5.589 -6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.342 -5.862 -7.548 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.888 -6.555 -8.965 1.00 0.00 H new ATOM 1263 N GLU A 82 -6.959 -5.165 -1.009 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.031 -4.928 0.091 1.00 0.00 C ATOM 1265 C GLU A 82 -4.878 -4.033 -0.354 1.00 0.00 C ATOM 1266 O GLU A 82 -4.366 -4.166 -1.466 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.486 -6.255 0.622 1.00 0.00 C ATOM 1268 CG GLU A 82 -4.124 -6.131 1.286 1.00 0.00 C ATOM 1269 CD GLU A 82 -2.980 -6.275 0.301 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -3.227 -6.735 -0.833 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -1.837 -5.926 0.665 1.00 0.00 O ATOM 0 H GLU A 82 -6.629 -5.835 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.574 -4.422 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.195 -6.668 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.416 -6.965 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.052 -5.163 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.030 -6.893 2.060 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.474 -3.119 0.523 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.382 -2.201 0.221 1.00 0.00 C ATOM 1280 C PHE A 83 -2.396 -2.128 1.384 1.00 0.00 C ATOM 1281 O PHE A 83 -2.763 -1.766 2.501 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.931 -0.806 -0.085 1.00 0.00 C ATOM 1283 CG PHE A 83 -5.014 -0.803 -1.126 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.718 -1.070 -2.453 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.327 -0.534 -0.778 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.712 -1.068 -3.413 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.326 -0.530 -1.733 1.00 0.00 C ATOM 1288 CZ PHE A 83 -7.018 -0.798 -3.053 1.00 0.00 C ATOM 0 H PHE A 83 -4.886 -2.995 1.448 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.855 -2.577 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.320 -0.368 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.113 -0.168 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.699 -1.282 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.573 -0.325 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.468 -1.277 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.346 -0.318 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.797 -0.796 -3.802 1.00 0.00 H new ATOM 1298 N SER A 84 -1.142 -2.474 1.111 1.00 0.00 N ATOM 1299 CA SER A 84 -0.103 -2.453 2.134 1.00 0.00 C ATOM 1300 C SER A 84 1.151 -1.752 1.620 1.00 0.00 C ATOM 1301 O SER A 84 1.404 -1.712 0.416 1.00 0.00 O ATOM 1302 CB SER A 84 0.239 -3.877 2.574 1.00 0.00 C ATOM 1303 OG SER A 84 -0.925 -4.584 2.965 1.00 0.00 O ATOM 0 H SER A 84 -0.821 -2.772 0.190 1.00 0.00 H new ATOM 0 HA SER A 84 -0.483 -1.898 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.732 -4.405 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.945 -3.845 3.404 1.00 0.00 H new ATOM 0 HG SER A 84 -1.286 -5.071 2.195 1.00 0.00 H new ATOM 1309 N VAL A 85 1.933 -1.200 2.542 1.00 0.00 N ATOM 1310 CA VAL A 85 3.161 -0.501 2.185 1.00 0.00 C ATOM 1311 C VAL A 85 4.327 -0.957 3.055 1.00 0.00 C ATOM 1312 O VAL A 85 4.221 -0.997 4.281 1.00 0.00 O ATOM 1313 CB VAL A 85 2.999 1.024 2.321 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.165 1.746 1.662 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.675 1.475 1.722 1.00 0.00 C ATOM 0 H VAL A 85 1.737 -1.224 3.543 1.00 0.00 H new ATOM 0 HA VAL A 85 3.372 -0.745 1.144 1.00 0.00 H new ATOM 0 HB VAL A 85 2.997 1.278 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.033 2.823 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.097 1.446 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.202 1.488 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.577 2.556 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.644 1.209 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.854 0.984 2.244 1.00 0.00 H new ATOM 1325 N MET A 86 5.439 -1.300 2.414 1.00 0.00 N ATOM 1326 CA MET A 86 6.626 -1.752 3.131 1.00 0.00 C ATOM 1327 C MET A 86 7.884 -1.103 2.563 1.00 0.00 C ATOM 1328 O MET A 86 7.955 -0.799 1.372 1.00 0.00 O ATOM 1329 CB MET A 86 6.745 -3.276 3.053 1.00 0.00 C ATOM 1330 CG MET A 86 7.307 -3.775 1.732 1.00 0.00 C ATOM 1331 SD MET A 86 7.697 -5.535 1.764 1.00 0.00 S ATOM 1332 CE MET A 86 9.381 -5.498 2.373 1.00 0.00 C ATOM 0 H MET A 86 5.543 -1.274 1.400 1.00 0.00 H new ATOM 0 HA MET A 86 6.525 -1.455 4.175 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.384 -3.624 3.865 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.761 -3.718 3.210 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.586 -3.581 0.938 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.208 -3.212 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.763 -6.516 2.448 1.00 0.00 H new ATOM 0 HE2 MET A 86 10.004 -4.926 1.685 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.402 -5.029 3.357 1.00 0.00 H new ATOM 1342 N VAL A 87 8.875 -0.891 3.423 1.00 0.00 N ATOM 1343 CA VAL A 87 10.131 -0.278 3.007 1.00 0.00 C ATOM 1344 C VAL A 87 11.296 -1.247 3.171 1.00 0.00 C ATOM 1345 O VAL A 87 11.277 -2.118 4.041 1.00 0.00 O ATOM 1346 CB VAL A 87 10.424 1.001 3.813 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.673 0.667 5.275 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.611 1.744 3.218 1.00 0.00 C ATOM 0 H VAL A 87 8.832 -1.135 4.413 1.00 0.00 H new ATOM 0 HA VAL A 87 10.024 -0.019 1.954 1.00 0.00 H new ATOM 0 HB VAL A 87 9.551 1.652 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.878 1.584 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.791 0.181 5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.529 -0.004 5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.805 2.645 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.491 1.101 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.389 2.018 2.187 1.00 0.00 H new ATOM 1358 N THR A 88 12.312 -1.090 2.328 1.00 0.00 N ATOM 1359 CA THR A 88 13.487 -1.951 2.378 1.00 0.00 C ATOM 1360 C THR A 88 14.771 -1.137 2.271 1.00 0.00 C ATOM 1361 O THR A 88 14.978 -0.409 1.299 1.00 0.00 O ATOM 1362 CB THR A 88 13.463 -3.001 1.251 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.375 -3.910 1.452 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.773 -3.773 1.202 1.00 0.00 C ATOM 0 H THR A 88 12.345 -0.374 1.602 1.00 0.00 H new ATOM 0 HA THR A 88 13.463 -2.461 3.341 1.00 0.00 H new ATOM 0 HB THR A 88 13.331 -2.481 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.365 -4.573 0.731 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.732 -4.508 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.596 -3.082 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.931 -4.283 2.153 1.00 0.00 H new ATOM 1372 N LYS A 89 15.632 -1.263 3.275 1.00 0.00 N ATOM 1373 CA LYS A 89 16.898 -0.540 3.294 1.00 0.00 C ATOM 1374 C LYS A 89 18.059 -1.467 2.945 1.00 0.00 C ATOM 1375 O LYS A 89 17.880 -2.676 2.804 1.00 0.00 O ATOM 1376 CB LYS A 89 17.130 0.089 4.669 1.00 0.00 C ATOM 1377 CG LYS A 89 18.017 1.321 4.633 1.00 0.00 C ATOM 1378 CD LYS A 89 17.679 2.286 5.757 1.00 0.00 C ATOM 1379 CE LYS A 89 18.248 3.671 5.493 1.00 0.00 C ATOM 1380 NZ LYS A 89 18.283 4.501 6.729 1.00 0.00 N ATOM 0 H LYS A 89 15.476 -1.860 4.087 1.00 0.00 H new ATOM 0 HA LYS A 89 16.848 0.250 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.167 0.358 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.581 -0.654 5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.062 1.020 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.902 1.825 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.597 2.351 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.074 1.903 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.256 3.579 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.646 4.173 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.677 5.437 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.318 4.611 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.878 4.035 7.443 1.00 0.00 H new ATOM 1394 N GLY A 90 19.249 -0.891 2.807 1.00 0.00 N ATOM 1395 CA GLY A 90 20.421 -1.680 2.478 1.00 0.00 C ATOM 1396 C GLY A 90 20.476 -2.985 3.246 1.00 0.00 C ATOM 1397 O GLY A 90 20.729 -2.994 4.451 1.00 0.00 O ATOM 0 H GLY A 90 19.422 0.108 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.425 -1.891 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.318 -1.099 2.691 1.00 0.00 H new ATOM 1401 N ARG A 91 20.237 -4.091 2.548 1.00 0.00 N ATOM 1402 CA ARG A 91 20.258 -5.408 3.173 1.00 0.00 C ATOM 1403 C ARG A 91 19.304 -5.460 4.363 1.00 0.00 C ATOM 1404 O ARG A 91 19.625 -6.033 5.404 1.00 0.00 O ATOM 1405 CB ARG A 91 21.676 -5.759 3.627 1.00 0.00 C ATOM 1406 CG ARG A 91 21.944 -7.254 3.689 1.00 0.00 C ATOM 1407 CD ARG A 91 23.112 -7.573 4.609 1.00 0.00 C ATOM 1408 NE ARG A 91 23.436 -8.997 4.608 1.00 0.00 N ATOM 1409 CZ ARG A 91 24.200 -9.577 5.526 1.00 0.00 C ATOM 1410 NH1 ARG A 91 24.716 -8.859 6.514 1.00 0.00 N ATOM 1411 NH2 ARG A 91 24.449 -10.879 5.458 1.00 0.00 N ATOM 0 H ARG A 91 20.027 -4.101 1.550 1.00 0.00 H new ATOM 0 HA ARG A 91 19.930 -6.138 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 91 22.391 -5.298 2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 91 21.850 -5.326 4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.051 -7.771 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 91 22.155 -7.629 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.986 -7.002 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.871 -7.257 5.624 1.00 0.00 H new ATOM 0 HE ARG A 91 23.055 -9.578 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 91 24.526 -7.858 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 91 25.303 -9.307 7.218 1.00 0.00 H new ATOM 0 HH21 ARG A 91 24.053 -11.435 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 91 25.036 -11.324 6.164 1.00 0.00 H new ATOM 1425 N ARG A 92 18.131 -4.857 4.201 1.00 0.00 N ATOM 1426 CA ARG A 92 17.131 -4.834 5.262 1.00 0.00 C ATOM 1427 C ARG A 92 15.721 -4.903 4.683 1.00 0.00 C ATOM 1428 O ARG A 92 15.542 -4.962 3.466 1.00 0.00 O ATOM 1429 CB ARG A 92 17.284 -3.568 6.108 1.00 0.00 C ATOM 1430 CG ARG A 92 18.646 -3.440 6.771 1.00 0.00 C ATOM 1431 CD ARG A 92 18.693 -4.185 8.096 1.00 0.00 C ATOM 1432 NE ARG A 92 19.954 -3.971 8.800 1.00 0.00 N ATOM 1433 CZ ARG A 92 20.365 -4.720 9.818 1.00 0.00 C ATOM 1434 NH1 ARG A 92 19.617 -5.728 10.247 1.00 0.00 N ATOM 1435 NH2 ARG A 92 21.525 -4.463 10.407 1.00 0.00 N ATOM 0 H ARG A 92 17.850 -4.378 3.346 1.00 0.00 H new ATOM 0 HA ARG A 92 17.289 -5.708 5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.113 -2.696 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.512 -3.560 6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.414 -3.832 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.874 -2.387 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.866 -3.857 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.554 -5.251 7.917 1.00 0.00 H new ATOM 0 HE ARG A 92 20.553 -3.204 8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.725 -5.929 9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.934 -6.302 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.103 -3.689 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.839 -5.039 11.188 1.00 0.00 H new ATOM 1449 N SER A 93 14.724 -4.896 5.562 1.00 0.00 N ATOM 1450 CA SER A 93 13.331 -4.962 5.138 1.00 0.00 C ATOM 1451 C SER A 93 12.392 -4.807 6.331 1.00 0.00 C ATOM 1452 O SER A 93 12.622 -5.381 7.395 1.00 0.00 O ATOM 1453 CB SER A 93 13.055 -6.288 4.427 1.00 0.00 C ATOM 1454 OG SER A 93 13.576 -7.381 5.164 1.00 0.00 O ATOM 0 H SER A 93 14.855 -4.845 6.572 1.00 0.00 H new ATOM 0 HA SER A 93 13.149 -4.141 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.981 -6.415 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.501 -6.271 3.433 1.00 0.00 H new ATOM 0 HG SER A 93 13.385 -8.217 4.689 1.00 0.00 H new ATOM 1460 N SER A 94 11.333 -4.025 6.144 1.00 0.00 N ATOM 1461 CA SER A 94 10.361 -3.789 7.205 1.00 0.00 C ATOM 1462 C SER A 94 9.073 -4.563 6.943 1.00 0.00 C ATOM 1463 O SER A 94 8.602 -4.643 5.808 1.00 0.00 O ATOM 1464 CB SER A 94 10.056 -2.295 7.324 1.00 0.00 C ATOM 1465 OG SER A 94 9.164 -1.874 6.307 1.00 0.00 O ATOM 0 H SER A 94 11.127 -3.545 5.268 1.00 0.00 H new ATOM 0 HA SER A 94 10.792 -4.140 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.622 -2.086 8.302 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.983 -1.725 7.258 1.00 0.00 H new ATOM 0 HG SER A 94 8.241 -1.968 6.622 1.00 0.00 H new ATOM 1471 N THR A 95 8.506 -5.134 8.002 1.00 0.00 N ATOM 1472 CA THR A 95 7.273 -5.902 7.888 1.00 0.00 C ATOM 1473 C THR A 95 6.191 -5.103 7.172 1.00 0.00 C ATOM 1474 O THR A 95 6.377 -3.926 6.863 1.00 0.00 O ATOM 1475 CB THR A 95 6.749 -6.331 9.271 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.670 -7.261 9.119 1.00 0.00 O ATOM 1477 CG2 THR A 95 6.277 -5.125 10.069 1.00 0.00 C ATOM 0 H THR A 95 8.882 -5.079 8.949 1.00 0.00 H new ATOM 0 HA THR A 95 7.508 -6.792 7.305 1.00 0.00 H new ATOM 0 HB THR A 95 7.566 -6.808 9.813 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.343 -7.530 10.003 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.911 -5.453 11.042 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.108 -4.433 10.208 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.473 -4.624 9.530 1.00 0.00 H new ATOM 1485 N TRP A 96 5.060 -5.749 6.912 1.00 0.00 N ATOM 1486 CA TRP A 96 3.947 -5.096 6.232 1.00 0.00 C ATOM 1487 C TRP A 96 3.118 -4.273 7.212 1.00 0.00 C ATOM 1488 O TRP A 96 2.671 -4.780 8.240 1.00 0.00 O ATOM 1489 CB TRP A 96 3.061 -6.137 5.545 1.00 0.00 C ATOM 1490 CG TRP A 96 3.714 -6.784 4.361 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.178 -8.066 4.280 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.978 -6.179 3.091 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.714 -8.295 3.036 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.602 -7.153 2.287 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.745 -4.911 2.553 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 4.997 -6.895 0.977 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.137 -4.656 1.252 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.757 -5.645 0.476 1.00 0.00 C ATOM 0 H TRP A 96 4.889 -6.723 7.161 1.00 0.00 H new ATOM 0 HA TRP A 96 4.358 -4.424 5.478 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.790 -6.907 6.267 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.134 -5.661 5.225 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.130 -8.793 5.077 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.128 -9.172 2.721 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.267 -4.143 3.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.476 -7.655 0.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.963 -3.679 0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.051 -5.416 -0.538 1.00 0.00 H new ATOM 1509 N SER A 97 2.916 -3.000 6.886 1.00 0.00 N ATOM 1510 CA SER A 97 2.143 -2.106 7.740 1.00 0.00 C ATOM 1511 C SER A 97 0.678 -2.528 7.784 1.00 0.00 C ATOM 1512 O SER A 97 0.228 -3.333 6.969 1.00 0.00 O ATOM 1513 CB SER A 97 2.256 -0.665 7.239 1.00 0.00 C ATOM 1514 OG SER A 97 1.891 -0.569 5.873 1.00 0.00 O ATOM 0 H SER A 97 3.277 -2.565 6.037 1.00 0.00 H new ATOM 0 HA SER A 97 2.550 -2.166 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.614 -0.018 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.278 -0.310 7.371 1.00 0.00 H new ATOM 0 HG SER A 97 2.682 -0.712 5.312 1.00 0.00 H new ATOM 1520 N MET A 98 -0.062 -1.978 8.741 1.00 0.00 N ATOM 1521 CA MET A 98 -1.477 -2.296 8.892 1.00 0.00 C ATOM 1522 C MET A 98 -2.187 -2.266 7.542 1.00 0.00 C ATOM 1523 O MET A 98 -2.254 -1.226 6.886 1.00 0.00 O ATOM 1524 CB MET A 98 -2.144 -1.311 9.854 1.00 0.00 C ATOM 1525 CG MET A 98 -1.916 0.146 9.486 1.00 0.00 C ATOM 1526 SD MET A 98 -2.116 1.257 10.892 1.00 0.00 S ATOM 1527 CE MET A 98 -0.405 1.559 11.331 1.00 0.00 C ATOM 0 H MET A 98 0.295 -1.310 9.424 1.00 0.00 H new ATOM 0 HA MET A 98 -1.556 -3.303 9.303 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.216 -1.508 9.877 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.766 -1.486 10.861 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.912 0.261 9.077 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.615 0.432 8.700 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.269 1.395 12.400 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.239 0.878 10.774 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.143 2.588 11.086 1.00 0.00 H new ATOM 1537 N THR A 99 -2.716 -3.415 7.131 1.00 0.00 N ATOM 1538 CA THR A 99 -3.420 -3.520 5.859 1.00 0.00 C ATOM 1539 C THR A 99 -4.588 -2.543 5.794 1.00 0.00 C ATOM 1540 O THR A 99 -5.419 -2.493 6.701 1.00 0.00 O ATOM 1541 CB THR A 99 -3.947 -4.948 5.626 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.857 -5.877 5.611 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.711 -5.035 4.313 1.00 0.00 C ATOM 0 H THR A 99 -2.670 -4.285 7.661 1.00 0.00 H new ATOM 0 HA THR A 99 -2.700 -3.274 5.078 1.00 0.00 H new ATOM 0 HB THR A 99 -4.626 -5.198 6.441 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.201 -6.783 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 99 -5.074 -6.053 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.557 -4.348 4.338 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.050 -4.766 3.489 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.645 -1.767 4.716 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.713 -0.793 4.532 1.00 0.00 C ATOM 1553 C ALA A 100 -6.799 -1.336 3.609 1.00 0.00 C ATOM 1554 O ALA A 100 -6.559 -1.575 2.425 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.151 0.508 3.980 1.00 0.00 C ATOM 0 H ALA A 100 -3.964 -1.794 3.957 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.164 -0.598 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.960 1.227 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.417 0.912 4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.673 0.319 3.019 1.00 0.00 H new ATOM 1561 N HIS A 101 -7.994 -1.531 4.159 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.117 -2.046 3.384 1.00 0.00 C ATOM 1563 C HIS A 101 -9.937 -0.905 2.790 1.00 0.00 C ATOM 1564 O HIS A 101 -10.290 0.046 3.486 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.007 -2.927 4.261 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.438 -4.289 4.515 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.386 -4.861 5.769 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.897 -5.195 3.667 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.835 -6.059 5.681 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.529 -6.285 4.416 1.00 0.00 N ATOM 0 H HIS A 101 -8.209 -1.340 5.138 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.717 -2.646 2.566 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.171 -2.427 5.216 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.982 -3.033 3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.777 -5.081 2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.664 -6.738 6.503 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.090 -7.132 4.054 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.236 -1.007 1.499 1.00 0.00 N ATOM 1580 CA GLY A 102 -11.011 0.024 0.833 1.00 0.00 C ATOM 1581 C GLY A 102 -11.793 -0.512 -0.350 1.00 0.00 C ATOM 1582 O GLY A 102 -11.211 -1.008 -1.315 1.00 0.00 O ATOM 0 H GLY A 102 -9.956 -1.785 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.701 0.474 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.342 0.815 0.494 1.00 0.00 H new ATOM 1586 N THR A 103 -13.116 -0.413 -0.277 1.00 0.00 N ATOM 1587 CA THR A 103 -13.979 -0.894 -1.349 1.00 0.00 C ATOM 1588 C THR A 103 -14.304 0.222 -2.335 1.00 0.00 C ATOM 1589 O THR A 103 -14.675 1.327 -1.939 1.00 0.00 O ATOM 1590 CB THR A 103 -15.294 -1.473 -0.795 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.013 -2.536 0.123 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.175 -1.990 -1.922 1.00 0.00 C ATOM 0 H THR A 103 -13.614 -0.004 0.514 1.00 0.00 H new ATOM 0 HA THR A 103 -13.432 -1.683 -1.865 1.00 0.00 H new ATOM 0 HB THR A 103 -15.826 -0.676 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.854 -2.898 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.098 -2.394 -1.506 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.411 -1.173 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.648 -2.774 -2.465 1.00 0.00 H new ATOM 1600 N THR A 104 -14.164 -0.074 -3.624 1.00 0.00 N ATOM 1601 CA THR A 104 -14.443 0.905 -4.667 1.00 0.00 C ATOM 1602 C THR A 104 -15.944 1.079 -4.871 1.00 0.00 C ATOM 1603 O THR A 104 -16.742 0.265 -4.407 1.00 0.00 O ATOM 1604 CB THR A 104 -13.799 0.498 -6.006 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.179 -0.840 -6.346 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.282 0.596 -5.928 1.00 0.00 C ATOM 0 H THR A 104 -13.859 -0.984 -3.970 1.00 0.00 H new ATOM 0 HA THR A 104 -14.012 1.850 -4.337 1.00 0.00 H new ATOM 0 HB THR A 104 -14.153 1.182 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.527 -1.216 -6.974 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.849 0.304 -6.885 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.995 1.622 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.914 -0.068 -5.145 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.322 2.145 -5.569 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.728 2.425 -5.834 1.00 0.00 C ATOM 1616 C PHE A 105 -18.294 1.446 -6.858 1.00 0.00 C ATOM 1617 O PHE A 105 -17.551 0.835 -7.625 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.897 3.861 -6.337 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.478 4.899 -5.336 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -17.827 4.775 -4.001 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.736 6.001 -5.731 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -17.442 5.729 -3.077 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.348 6.957 -4.812 1.00 0.00 C ATOM 1624 CZ PHE A 105 -16.702 6.822 -3.484 1.00 0.00 C ATOM 0 H PHE A 105 -15.674 2.829 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.279 2.306 -4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.313 3.990 -7.248 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.942 4.024 -6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.407 3.923 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.458 6.114 -6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -17.719 5.620 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.768 7.810 -5.132 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.401 7.570 -2.765 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.616 1.303 -6.863 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.282 0.397 -7.792 1.00 0.00 C ATOM 1636 C GLU A 106 -20.318 0.989 -9.198 1.00 0.00 C ATOM 1637 O GLU A 106 -20.916 2.041 -9.425 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.705 0.098 -7.315 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.760 -0.751 -6.056 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.171 -0.923 -5.530 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.039 -1.389 -6.297 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -23.408 -0.591 -4.349 1.00 0.00 O ATOM 0 H GLU A 106 -20.246 1.802 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.714 -0.533 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.223 1.039 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.246 -0.413 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.332 -1.732 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.142 -0.291 -5.285 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.674 0.305 -10.138 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.632 0.763 -11.522 1.00 0.00 C ATOM 1651 C LEU A 107 -21.030 1.105 -12.026 1.00 0.00 C ATOM 1652 O LEU A 107 -21.312 2.252 -12.375 1.00 0.00 O ATOM 1653 CB LEU A 107 -19.004 -0.309 -12.415 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.218 0.200 -13.624 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -19.165 0.687 -14.709 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -17.262 1.309 -13.210 1.00 0.00 C ATOM 0 H LEU A 107 -19.174 -0.568 -9.967 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.021 1.665 -11.562 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.338 -0.918 -11.804 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -19.797 -0.966 -12.773 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.632 -0.626 -14.026 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.588 1.046 -15.561 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.808 -0.134 -15.026 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -19.779 1.499 -14.319 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.711 1.659 -14.083 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.828 2.136 -12.782 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.561 0.927 -12.468 1.00 0.00 H new ATOM 1668 N SER A 108 -21.903 0.104 -12.059 1.00 0.00 N ATOM 1669 CA SER A 108 -23.273 0.298 -12.522 1.00 0.00 C ATOM 1670 C SER A 108 -24.177 0.736 -11.373 1.00 0.00 C ATOM 1671 O SER A 108 -24.861 1.755 -11.461 1.00 0.00 O ATOM 1672 CB SER A 108 -23.810 -0.991 -13.146 1.00 0.00 C ATOM 1673 OG SER A 108 -23.771 -2.062 -12.219 1.00 0.00 O ATOM 0 H SER A 108 -21.687 -0.850 -11.771 1.00 0.00 H new ATOM 0 HA SER A 108 -23.268 1.084 -13.277 1.00 0.00 H new ATOM 0 HB2 SER A 108 -24.835 -0.836 -13.484 1.00 0.00 H new ATOM 0 HB3 SER A 108 -23.219 -1.246 -14.026 1.00 0.00 H new ATOM 0 HG SER A 108 -24.121 -2.874 -12.642 1.00 0.00 H new ATOM 1679 N GLY A 109 -24.173 -0.042 -10.295 1.00 0.00 N ATOM 1680 CA GLY A 109 -24.996 0.280 -9.145 1.00 0.00 C ATOM 1681 C GLY A 109 -26.206 -0.625 -9.025 1.00 0.00 C ATOM 1682 O GLY A 109 -26.194 -1.774 -9.466 1.00 0.00 O ATOM 0 H GLY A 109 -23.614 -0.890 -10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -24.395 0.200 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -25.327 1.316 -9.218 1.00 0.00 H new ATOM 1686 N PRO A 110 -27.281 -0.105 -8.414 1.00 0.00 N ATOM 1687 CA PRO A 110 -28.524 -0.857 -8.223 1.00 0.00 C ATOM 1688 C PRO A 110 -29.264 -1.098 -9.534 1.00 0.00 C ATOM 1689 O PRO A 110 -30.078 -0.277 -9.958 1.00 0.00 O ATOM 1690 CB PRO A 110 -29.348 0.047 -7.302 1.00 0.00 C ATOM 1691 CG PRO A 110 -28.828 1.420 -7.555 1.00 0.00 C ATOM 1692 CD PRO A 110 -27.366 1.259 -7.864 1.00 0.00 C ATOM 0 HA PRO A 110 -28.340 -1.851 -7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -30.412 -0.021 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -29.226 -0.236 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -29.353 1.889 -8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -28.975 2.059 -6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -27.023 2.004 -8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -26.752 1.371 -6.970 1.00 0.00 H new ATOM 1700 N SER A 111 -28.976 -2.228 -10.172 1.00 0.00 N ATOM 1701 CA SER A 111 -29.613 -2.574 -11.438 1.00 0.00 C ATOM 1702 C SER A 111 -31.004 -3.155 -11.205 1.00 0.00 C ATOM 1703 O SER A 111 -31.486 -3.207 -10.074 1.00 0.00 O ATOM 1704 CB SER A 111 -28.751 -3.577 -12.208 1.00 0.00 C ATOM 1705 OG SER A 111 -28.413 -4.688 -11.397 1.00 0.00 O ATOM 0 H SER A 111 -28.306 -2.919 -9.834 1.00 0.00 H new ATOM 0 HA SER A 111 -29.713 -1.663 -12.028 1.00 0.00 H new ATOM 0 HB2 SER A 111 -29.288 -3.919 -13.093 1.00 0.00 H new ATOM 0 HB3 SER A 111 -27.842 -3.087 -12.557 1.00 0.00 H new ATOM 0 HG SER A 111 -27.864 -5.315 -11.913 1.00 0.00 H new ATOM 1711 N SER A 112 -31.644 -3.592 -12.285 1.00 0.00 N ATOM 1712 CA SER A 112 -32.982 -4.166 -12.201 1.00 0.00 C ATOM 1713 C SER A 112 -33.280 -5.030 -13.422 1.00 0.00 C ATOM 1714 O SER A 112 -33.487 -4.519 -14.522 1.00 0.00 O ATOM 1715 CB SER A 112 -34.029 -3.057 -12.078 1.00 0.00 C ATOM 1716 OG SER A 112 -34.081 -2.272 -13.256 1.00 0.00 O ATOM 0 H SER A 112 -31.258 -3.560 -13.228 1.00 0.00 H new ATOM 0 HA SER A 112 -33.025 -4.796 -11.313 1.00 0.00 H new ATOM 0 HB2 SER A 112 -35.008 -3.496 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 112 -33.792 -2.422 -11.224 1.00 0.00 H new ATOM 0 HG SER A 112 -33.933 -2.845 -14.037 1.00 0.00 H new ATOM 1722 N GLY A 113 -33.300 -6.344 -13.220 1.00 0.00 N ATOM 1723 CA GLY A 113 -33.574 -7.259 -14.313 1.00 0.00 C ATOM 1724 C GLY A 113 -34.052 -8.613 -13.829 1.00 0.00 C ATOM 1725 O GLY A 113 -34.396 -8.775 -12.658 1.00 0.00 O ATOM 0 H GLY A 113 -33.131 -6.791 -12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -34.329 -6.823 -14.967 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -32.671 -7.388 -14.910 1.00 0.00 H new TER 1729 GLY A 113