USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 803 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 41 LYS NZ :NH3+ 148:sc= 1.18 (180deg=0.139) USER MOD Set 1.2: A 78 TYR OH : rot 30:sc= 0.912 USER MOD Set 2.1: A 8 GLN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -138:sc= 0.0185 (180deg=-0.169) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 4 THR OG1 : rot 180:sc=0.000469 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 SER OG : rot 35:sc= 0.00177 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.541 K(o=0.54,f=-0.25) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0683 USER MOD Single : A 21 ASN : amide:sc= -0.0517 K(o=-0.052,f=-0.9) USER MOD Single : A 24 ASN : amide:sc= -1.91 K(o=-1.9,f=-2.4) USER MOD Single : A 26 TYR OH : rot 20:sc= 0.422 USER MOD Single : A 31 HIS : no HD1:sc= -0.883 K(o=-0.88,f=-2.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.015) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 1.17 (180deg=0.8) USER MOD Single : A 51 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.22) USER MOD Single : A 52 SER OG : rot -37:sc= 0.257 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -7:sc= 0.448 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 TYR OH : rot 50:sc= -0.589 USER MOD Single : A 67 TYR OH : rot -15:sc= 0.164 USER MOD Single : A 68 THR OG1 : rot -120:sc= -0.266 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.645 (180deg=0.6) USER MOD Single : A 83 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-7.8!) USER MOD Single : A 86 THR OG1 : rot -38:sc=-0.00211 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= 0.308 (180deg=-0.321) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 1.05 (180deg=1.05) USER MOD Single : A 99 MET CE :methyl -175:sc= 0 (180deg=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -8.007 -23.288 -1.454 1.00 0.00 N ATOM 2 CA MET A 0 -7.174 -22.914 -2.612 1.00 0.00 C ATOM 3 C MET A 0 -5.919 -22.175 -2.152 1.00 0.00 C ATOM 4 O MET A 0 -5.892 -21.656 -1.037 1.00 0.00 O ATOM 5 CB MET A 0 -7.956 -22.048 -3.610 1.00 0.00 C ATOM 6 CG MET A 0 -9.267 -22.693 -4.066 1.00 0.00 C ATOM 7 SD MET A 0 -10.100 -21.773 -5.386 1.00 0.00 S ATOM 8 CE MET A 0 -11.659 -22.695 -5.441 1.00 0.00 C ATOM 0 H1 MET A 0 -8.369 -24.254 -1.584 1.00 0.00 H new ATOM 0 H2 MET A 0 -7.435 -23.246 -0.587 1.00 0.00 H new ATOM 0 H3 MET A 0 -8.806 -22.627 -1.373 1.00 0.00 H new ATOM 0 HA MET A 0 -6.881 -23.834 -3.118 1.00 0.00 H new ATOM 0 HB2 MET A 0 -8.173 -21.083 -3.152 1.00 0.00 H new ATOM 0 HB3 MET A 0 -7.331 -21.854 -4.482 1.00 0.00 H new ATOM 0 HG2 MET A 0 -9.064 -23.706 -4.412 1.00 0.00 H new ATOM 0 HG3 MET A 0 -9.939 -22.777 -3.212 1.00 0.00 H new ATOM 0 HE1 MET A 0 -12.308 -22.267 -6.205 1.00 0.00 H new ATOM 0 HE2 MET A 0 -11.456 -23.739 -5.680 1.00 0.00 H new ATOM 0 HE3 MET A 0 -12.152 -22.634 -4.471 1.00 0.00 H new ATOM 20 N ILE A 1 -4.892 -22.102 -3.008 1.00 0.00 N ATOM 21 CA ILE A 1 -3.621 -21.455 -2.687 1.00 0.00 C ATOM 22 C ILE A 1 -3.697 -19.964 -3.070 1.00 0.00 C ATOM 23 O ILE A 1 -2.790 -19.417 -3.694 1.00 0.00 O ATOM 24 CB ILE A 1 -2.458 -22.220 -3.360 1.00 0.00 C ATOM 25 CG1 ILE A 1 -2.597 -23.755 -3.279 1.00 0.00 C ATOM 26 CG2 ILE A 1 -1.101 -21.809 -2.769 1.00 0.00 C ATOM 27 CD1 ILE A 1 -2.694 -24.313 -1.854 1.00 0.00 C ATOM 0 H ILE A 1 -4.924 -22.494 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.423 -21.491 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.508 -21.940 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.485 -24.056 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.741 -24.211 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.305 -22.365 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.946 -20.741 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.087 -22.029 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.789 -25.398 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.795 -24.048 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.567 -23.890 -1.356 1.00 0.00 H new ATOM 39 N GLN A 2 -4.808 -19.311 -2.703 1.00 0.00 N ATOM 40 CA GLN A 2 -5.123 -17.934 -3.055 1.00 0.00 C ATOM 41 C GLN A 2 -4.995 -17.076 -1.799 1.00 0.00 C ATOM 42 O GLN A 2 -6.005 -16.666 -1.229 1.00 0.00 O ATOM 43 CB GLN A 2 -6.555 -17.873 -3.608 1.00 0.00 C ATOM 44 CG GLN A 2 -6.710 -18.679 -4.908 1.00 0.00 C ATOM 45 CD GLN A 2 -8.123 -18.579 -5.482 1.00 0.00 C ATOM 46 OE1 GLN A 2 -9.068 -18.231 -4.778 1.00 0.00 O ATOM 47 NE2 GLN A 2 -8.277 -18.896 -6.769 1.00 0.00 N ATOM 0 H GLN A 2 -5.532 -19.749 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.439 -17.562 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.248 -18.257 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.828 -16.834 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.993 -18.318 -5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.470 -19.725 -4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.470 -19.181 -7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.202 -18.853 -7.198 1.00 0.00 H new ATOM 56 N ARG A 3 -3.763 -16.836 -1.334 1.00 0.00 N ATOM 57 CA ARG A 3 -3.566 -16.176 -0.054 1.00 0.00 C ATOM 58 C ARG A 3 -4.051 -14.726 -0.105 1.00 0.00 C ATOM 59 O ARG A 3 -3.512 -13.912 -0.854 1.00 0.00 O ATOM 60 CB ARG A 3 -2.103 -16.219 0.372 1.00 0.00 C ATOM 61 CG ARG A 3 -1.577 -17.614 0.721 1.00 0.00 C ATOM 62 CD ARG A 3 -0.390 -17.399 1.664 1.00 0.00 C ATOM 63 NE ARG A 3 0.331 -18.633 1.986 1.00 0.00 N ATOM 64 CZ ARG A 3 1.373 -18.659 2.835 1.00 0.00 C ATOM 65 NH1 ARG A 3 1.731 -17.553 3.502 1.00 0.00 N ATOM 66 NH2 ARG A 3 2.065 -19.791 3.022 1.00 0.00 N ATOM 0 H ARG A 3 -2.904 -17.088 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.156 -16.718 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.493 -15.806 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.972 -15.569 1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.351 -18.213 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.269 -18.150 -0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.302 -16.691 1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.748 -16.945 2.588 1.00 0.00 H new ATOM 0 HE ARG A 3 0.031 -19.505 1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.212 -16.685 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.522 -17.579 4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.802 -20.638 2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.855 -19.805 3.667 1.00 0.00 H new ATOM 80 N THR A 4 -5.057 -14.414 0.718 1.00 0.00 N ATOM 81 CA THR A 4 -5.628 -13.084 0.842 1.00 0.00 C ATOM 82 C THR A 4 -4.585 -12.142 1.471 1.00 0.00 C ATOM 83 O THR A 4 -3.974 -12.511 2.474 1.00 0.00 O ATOM 84 CB THR A 4 -6.889 -13.169 1.720 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.678 -14.278 1.335 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.739 -11.900 1.621 1.00 0.00 C ATOM 0 H THR A 4 -5.502 -15.100 1.327 1.00 0.00 H new ATOM 0 HA THR A 4 -5.903 -12.691 -0.137 1.00 0.00 H new ATOM 0 HB THR A 4 -6.555 -13.283 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.477 -14.324 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.619 -12.001 2.256 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.152 -11.042 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.052 -11.751 0.588 1.00 0.00 H new ATOM 94 N PRO A 5 -4.358 -10.943 0.911 1.00 0.00 N ATOM 95 CA PRO A 5 -3.382 -9.992 1.422 1.00 0.00 C ATOM 96 C PRO A 5 -3.871 -9.324 2.712 1.00 0.00 C ATOM 97 O PRO A 5 -4.993 -8.824 2.765 1.00 0.00 O ATOM 98 CB PRO A 5 -3.194 -8.970 0.297 1.00 0.00 C ATOM 99 CG PRO A 5 -4.537 -8.986 -0.430 1.00 0.00 C ATOM 100 CD PRO A 5 -4.967 -10.446 -0.311 1.00 0.00 C ATOM 0 HA PRO A 5 -2.443 -10.479 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.962 -7.980 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.376 -9.250 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.257 -8.313 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.438 -8.677 -1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.053 -10.531 -0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.636 -11.022 -1.175 1.00 0.00 H new ATOM 108 N LYS A 6 -3.008 -9.292 3.736 1.00 0.00 N ATOM 109 CA LYS A 6 -3.212 -8.546 4.967 1.00 0.00 C ATOM 110 C LYS A 6 -2.575 -7.165 4.798 1.00 0.00 C ATOM 111 O LYS A 6 -1.366 -7.067 4.583 1.00 0.00 O ATOM 112 CB LYS A 6 -2.593 -9.307 6.147 1.00 0.00 C ATOM 113 CG LYS A 6 -3.075 -8.678 7.457 1.00 0.00 C ATOM 114 CD LYS A 6 -2.311 -9.218 8.670 1.00 0.00 C ATOM 115 CE LYS A 6 -2.848 -8.560 9.947 1.00 0.00 C ATOM 116 NZ LYS A 6 -2.142 -9.034 11.150 1.00 0.00 N ATOM 0 H LYS A 6 -2.125 -9.802 3.722 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.275 -8.428 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.878 -10.358 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.505 -9.269 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.954 -7.596 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.140 -8.874 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.423 -10.301 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.246 -9.013 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.744 -7.478 9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.913 -8.772 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.535 -8.565 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.262 -10.063 11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.130 -8.809 11.070 1.00 0.00 H new ATOM 130 N ILE A 7 -3.400 -6.114 4.871 1.00 0.00 N ATOM 131 CA ILE A 7 -3.004 -4.731 4.632 1.00 0.00 C ATOM 132 C ILE A 7 -2.781 -4.035 5.978 1.00 0.00 C ATOM 133 O ILE A 7 -3.612 -4.186 6.874 1.00 0.00 O ATOM 134 CB ILE A 7 -4.105 -3.975 3.857 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.006 -4.827 2.940 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.477 -2.805 3.085 1.00 0.00 C ATOM 137 CD1 ILE A 7 -4.269 -5.621 1.864 1.00 0.00 C ATOM 0 H ILE A 7 -4.388 -6.210 5.105 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.088 -4.726 4.041 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.795 -3.615 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.573 -5.523 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.728 -4.171 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.254 -2.271 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.994 -2.124 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.737 -3.188 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.989 -6.187 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.724 -4.935 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.567 -6.309 2.336 1.00 0.00 H new ATOM 149 N GLN A 8 -1.706 -3.249 6.125 1.00 0.00 N ATOM 150 CA GLN A 8 -1.483 -2.424 7.291 1.00 0.00 C ATOM 151 C GLN A 8 -0.824 -1.103 6.871 1.00 0.00 C ATOM 152 O GLN A 8 0.393 -0.948 6.946 1.00 0.00 O ATOM 153 CB GLN A 8 -0.688 -3.223 8.332 1.00 0.00 C ATOM 154 CG GLN A 8 0.509 -4.028 7.806 1.00 0.00 C ATOM 155 CD GLN A 8 0.125 -5.307 7.066 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.765 -6.038 7.494 1.00 0.00 O ATOM 157 NE2 GLN A 8 0.787 -5.580 5.941 1.00 0.00 N ATOM 0 H GLN A 8 -0.968 -3.176 5.425 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.424 -2.150 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.326 -2.530 9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.371 -3.912 8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.092 -3.395 7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.156 -4.287 8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.520 -4.950 5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.560 -6.418 5.406 1.00 0.00 H new ATOM 166 N VAL A 9 -1.644 -0.142 6.426 1.00 0.00 N ATOM 167 CA VAL A 9 -1.186 1.161 5.957 1.00 0.00 C ATOM 168 C VAL A 9 -0.818 2.045 7.151 1.00 0.00 C ATOM 169 O VAL A 9 -1.576 2.110 8.117 1.00 0.00 O ATOM 170 CB VAL A 9 -2.268 1.843 5.102 1.00 0.00 C ATOM 171 CG1 VAL A 9 -1.712 3.113 4.442 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.806 0.913 4.008 1.00 0.00 C ATOM 0 H VAL A 9 -2.657 -0.255 6.383 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.302 1.016 5.336 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.087 2.098 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.491 3.582 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.380 3.808 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.869 2.851 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.567 1.435 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.990 0.615 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.244 0.027 4.467 1.00 0.00 H new ATOM 182 N TYR A 10 0.331 2.730 7.073 1.00 0.00 N ATOM 183 CA TYR A 10 0.817 3.620 8.123 1.00 0.00 C ATOM 184 C TYR A 10 0.989 5.046 7.613 1.00 0.00 C ATOM 185 O TYR A 10 1.234 5.263 6.427 1.00 0.00 O ATOM 186 CB TYR A 10 2.174 3.138 8.642 1.00 0.00 C ATOM 187 CG TYR A 10 2.274 1.650 8.884 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.482 1.052 9.879 1.00 0.00 C ATOM 189 CD2 TYR A 10 3.159 0.867 8.121 1.00 0.00 C ATOM 190 CE1 TYR A 10 1.607 -0.322 10.137 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.307 -0.501 8.400 1.00 0.00 C ATOM 192 CZ TYR A 10 2.543 -1.091 9.424 1.00 0.00 C ATOM 193 OH TYR A 10 2.714 -2.405 9.741 1.00 0.00 O ATOM 0 H TYR A 10 0.953 2.677 6.266 1.00 0.00 H new ATOM 0 HA TYR A 10 0.074 3.608 8.920 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.943 3.427 7.926 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.395 3.658 9.574 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.780 1.648 10.443 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.725 1.319 7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.983 -0.789 10.885 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.004 -1.098 7.831 1.00 0.00 H new ATOM 0 HH TYR A 10 1.873 -2.771 10.086 1.00 0.00 H new ATOM 203 N SER A 11 0.968 5.992 8.557 1.00 0.00 N ATOM 204 CA SER A 11 1.536 7.324 8.405 1.00 0.00 C ATOM 205 C SER A 11 2.553 7.511 9.528 1.00 0.00 C ATOM 206 O SER A 11 2.234 7.248 10.686 1.00 0.00 O ATOM 207 CB SER A 11 0.461 8.411 8.419 1.00 0.00 C ATOM 208 OG SER A 11 -0.478 8.228 9.459 1.00 0.00 O ATOM 0 H SER A 11 0.542 5.842 9.472 1.00 0.00 H new ATOM 0 HA SER A 11 2.024 7.417 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.936 9.386 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.059 8.416 7.461 1.00 0.00 H new ATOM 0 HG SER A 11 -0.027 7.856 10.245 1.00 0.00 H new ATOM 214 N ARG A 12 3.788 7.902 9.189 1.00 0.00 N ATOM 215 CA ARG A 12 4.874 7.969 10.161 1.00 0.00 C ATOM 216 C ARG A 12 4.666 9.174 11.076 1.00 0.00 C ATOM 217 O ARG A 12 4.411 8.998 12.265 1.00 0.00 O ATOM 218 CB ARG A 12 6.237 7.977 9.453 1.00 0.00 C ATOM 219 CG ARG A 12 6.761 6.552 9.213 1.00 0.00 C ATOM 220 CD ARG A 12 5.846 5.702 8.323 1.00 0.00 C ATOM 221 NE ARG A 12 6.379 4.344 8.149 1.00 0.00 N ATOM 222 CZ ARG A 12 6.010 3.249 8.838 1.00 0.00 C ATOM 223 NH1 ARG A 12 5.207 3.336 9.908 1.00 0.00 N ATOM 224 NH2 ARG A 12 6.450 2.049 8.438 1.00 0.00 N ATOM 0 H ARG A 12 4.055 8.177 8.244 1.00 0.00 H new ATOM 0 HA ARG A 12 4.866 7.078 10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.149 8.498 8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.956 8.533 10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.748 6.610 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.885 6.053 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.851 5.650 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.737 6.179 7.349 1.00 0.00 H new ATOM 0 HE ARG A 12 7.098 4.219 7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.863 4.246 10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.940 2.492 10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.056 1.974 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.179 1.210 8.950 1.00 0.00 H new ATOM 238 N HIS A 13 4.717 10.388 10.517 1.00 0.00 N ATOM 239 CA HIS A 13 4.186 11.562 11.198 1.00 0.00 C ATOM 240 C HIS A 13 2.669 11.578 10.968 1.00 0.00 C ATOM 241 O HIS A 13 2.224 11.084 9.932 1.00 0.00 O ATOM 242 CB HIS A 13 4.828 12.841 10.653 1.00 0.00 C ATOM 243 CG HIS A 13 6.331 12.807 10.577 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.119 12.567 11.701 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.146 12.980 9.489 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.376 12.599 11.247 1.00 0.00 C ATOM 247 NE2 HIS A 13 8.446 12.846 9.928 1.00 0.00 N ATOM 0 H HIS A 13 5.120 10.577 9.599 1.00 0.00 H new ATOM 0 HA HIS A 13 4.411 11.518 12.264 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.432 13.034 9.656 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.528 13.679 11.283 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.829 13.183 8.477 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.242 12.443 11.873 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.293 12.920 9.364 1.00 0.00 H new ATOM 255 N PRO A 14 1.862 12.127 11.891 1.00 0.00 N ATOM 256 CA PRO A 14 0.406 12.097 11.808 1.00 0.00 C ATOM 257 C PRO A 14 -0.104 13.216 10.889 1.00 0.00 C ATOM 258 O PRO A 14 -0.918 14.039 11.303 1.00 0.00 O ATOM 259 CB PRO A 14 -0.054 12.256 13.262 1.00 0.00 C ATOM 260 CG PRO A 14 1.007 13.194 13.838 1.00 0.00 C ATOM 261 CD PRO A 14 2.288 12.725 13.145 1.00 0.00 C ATOM 0 HA PRO A 14 0.012 11.179 11.371 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.054 12.684 13.328 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.081 11.301 13.787 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.787 14.238 13.616 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.078 13.106 14.922 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.966 13.560 12.970 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.824 12.003 13.761 1.00 0.00 H new ATOM 269 N ALA A 15 0.386 13.234 9.639 1.00 0.00 N ATOM 270 CA ALA A 15 0.093 14.222 8.605 1.00 0.00 C ATOM 271 C ALA A 15 0.585 15.629 8.971 1.00 0.00 C ATOM 272 O ALA A 15 0.850 15.930 10.133 1.00 0.00 O ATOM 273 CB ALA A 15 -1.399 14.202 8.250 1.00 0.00 C ATOM 0 H ALA A 15 1.033 12.517 9.311 1.00 0.00 H new ATOM 0 HA ALA A 15 0.655 13.940 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.599 14.945 7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.672 13.213 7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.987 14.434 9.138 1.00 0.00 H new ATOM 279 N GLU A 16 0.697 16.499 7.960 1.00 0.00 N ATOM 280 CA GLU A 16 0.915 17.925 8.147 1.00 0.00 C ATOM 281 C GLU A 16 0.465 18.650 6.882 1.00 0.00 C ATOM 282 O GLU A 16 0.998 18.388 5.805 1.00 0.00 O ATOM 283 CB GLU A 16 2.388 18.226 8.460 1.00 0.00 C ATOM 284 CG GLU A 16 2.620 19.729 8.691 1.00 0.00 C ATOM 285 CD GLU A 16 1.841 20.263 9.890 1.00 0.00 C ATOM 286 OE1 GLU A 16 2.413 20.225 11.000 1.00 0.00 O ATOM 287 OE2 GLU A 16 0.690 20.702 9.671 1.00 0.00 O ATOM 0 H GLU A 16 0.637 16.222 6.980 1.00 0.00 H new ATOM 0 HA GLU A 16 0.333 18.275 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.694 17.669 9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.014 17.883 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.684 19.910 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.328 20.280 7.797 1.00 0.00 H new ATOM 294 N ASN A 17 -0.521 19.545 7.022 1.00 0.00 N ATOM 295 CA ASN A 17 -1.170 20.249 5.928 1.00 0.00 C ATOM 296 C ASN A 17 -0.162 20.952 5.011 1.00 0.00 C ATOM 297 O ASN A 17 0.407 21.982 5.364 1.00 0.00 O ATOM 298 CB ASN A 17 -2.251 21.202 6.468 1.00 0.00 C ATOM 299 CG ASN A 17 -1.877 21.943 7.755 1.00 0.00 C ATOM 300 OD1 ASN A 17 -2.523 21.752 8.782 1.00 0.00 O ATOM 301 ND2 ASN A 17 -0.845 22.787 7.717 1.00 0.00 N ATOM 0 H ASN A 17 -0.896 19.802 7.935 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.669 19.511 5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.483 21.937 5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.161 20.630 6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.572 23.296 8.557 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.329 22.923 6.848 1.00 0.00 H new ATOM 308 N GLY A 18 0.050 20.387 3.816 1.00 0.00 N ATOM 309 CA GLY A 18 0.921 20.956 2.805 1.00 0.00 C ATOM 310 C GLY A 18 2.390 20.953 3.226 1.00 0.00 C ATOM 311 O GLY A 18 3.121 21.873 2.866 1.00 0.00 O ATOM 0 H GLY A 18 -0.388 19.511 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.811 20.393 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.609 21.979 2.596 1.00 0.00 H new ATOM 315 N LYS A 19 2.828 19.921 3.962 1.00 0.00 N ATOM 316 CA LYS A 19 4.232 19.716 4.288 1.00 0.00 C ATOM 317 C LYS A 19 4.541 18.228 4.220 1.00 0.00 C ATOM 318 O LYS A 19 3.816 17.388 4.748 1.00 0.00 O ATOM 319 CB LYS A 19 4.566 20.295 5.660 1.00 0.00 C ATOM 320 CG LYS A 19 6.057 20.511 5.958 1.00 0.00 C ATOM 321 CD LYS A 19 6.825 19.272 6.433 1.00 0.00 C ATOM 322 CE LYS A 19 6.408 18.780 7.825 1.00 0.00 C ATOM 323 NZ LYS A 19 7.108 17.535 8.188 1.00 0.00 N ATOM 0 H LYS A 19 2.209 19.207 4.346 1.00 0.00 H new ATOM 0 HA LYS A 19 4.855 20.242 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.054 21.252 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.157 19.631 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.538 20.891 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.148 21.286 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.677 18.466 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.891 19.499 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.625 19.550 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.331 18.613 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.804 17.229 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.880 16.794 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.134 17.702 8.192 1.00 0.00 H new ATOM 337 N SER A 20 5.635 17.956 3.519 1.00 0.00 N ATOM 338 CA SER A 20 6.101 16.668 3.066 1.00 0.00 C ATOM 339 C SER A 20 6.126 15.625 4.195 1.00 0.00 C ATOM 340 O SER A 20 6.859 15.790 5.173 1.00 0.00 O ATOM 341 CB SER A 20 7.490 16.931 2.480 1.00 0.00 C ATOM 342 OG SER A 20 7.469 18.085 1.659 1.00 0.00 O ATOM 0 H SER A 20 6.268 18.702 3.232 1.00 0.00 H new ATOM 0 HA SER A 20 5.430 16.237 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.212 17.063 3.285 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.815 16.069 1.898 1.00 0.00 H new ATOM 0 HG SER A 20 8.364 18.242 1.292 1.00 0.00 H new ATOM 348 N ASN A 21 5.288 14.589 4.078 1.00 0.00 N ATOM 349 CA ASN A 21 5.028 13.571 5.091 1.00 0.00 C ATOM 350 C ASN A 21 5.289 12.186 4.468 1.00 0.00 C ATOM 351 O ASN A 21 5.646 12.111 3.299 1.00 0.00 O ATOM 352 CB ASN A 21 3.578 13.770 5.568 1.00 0.00 C ATOM 353 CG ASN A 21 3.394 13.497 7.058 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.406 14.426 7.861 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.206 12.231 7.434 1.00 0.00 N ATOM 0 H ASN A 21 4.746 14.434 3.228 1.00 0.00 H new ATOM 0 HA ASN A 21 5.682 13.650 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.268 14.792 5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.922 13.111 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.065 12.007 8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.203 11.487 6.736 1.00 0.00 H new ATOM 362 N PHE A 22 5.129 11.081 5.209 1.00 0.00 N ATOM 363 CA PHE A 22 5.507 9.736 4.750 1.00 0.00 C ATOM 364 C PHE A 22 4.374 8.721 4.936 1.00 0.00 C ATOM 365 O PHE A 22 3.961 8.447 6.062 1.00 0.00 O ATOM 366 CB PHE A 22 6.785 9.261 5.458 1.00 0.00 C ATOM 367 CG PHE A 22 7.970 9.067 4.531 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.925 8.071 3.536 1.00 0.00 C ATOM 369 CD2 PHE A 22 9.117 9.872 4.662 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.019 7.885 2.673 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.219 9.669 3.814 1.00 0.00 C ATOM 372 CZ PHE A 22 10.174 8.671 2.825 1.00 0.00 C ATOM 0 H PHE A 22 4.732 11.094 6.148 1.00 0.00 H new ATOM 0 HA PHE A 22 5.704 9.804 3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.053 9.986 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.577 8.320 5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.048 7.449 3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.150 10.646 5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.972 7.139 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.102 10.281 3.922 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.027 8.508 2.182 1.00 0.00 H new ATOM 382 N LEU A 23 3.901 8.167 3.810 1.00 0.00 N ATOM 383 CA LEU A 23 2.804 7.214 3.699 1.00 0.00 C ATOM 384 C LEU A 23 3.384 5.870 3.291 1.00 0.00 C ATOM 385 O LEU A 23 4.093 5.784 2.289 1.00 0.00 O ATOM 386 CB LEU A 23 1.816 7.709 2.639 1.00 0.00 C ATOM 387 CG LEU A 23 0.641 6.779 2.325 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.300 6.675 3.527 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.140 7.399 1.164 1.00 0.00 C ATOM 0 H LEU A 23 4.304 8.391 2.900 1.00 0.00 H new ATOM 0 HA LEU A 23 2.279 7.114 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.416 8.669 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.366 7.890 1.716 1.00 0.00 H new ATOM 0 HG LEU A 23 1.017 5.786 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.129 6.010 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.246 6.277 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.688 7.664 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.987 6.760 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.502 8.385 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.513 7.494 0.296 1.00 0.00 H new ATOM 401 N ASN A 24 3.107 4.836 4.090 1.00 0.00 N ATOM 402 CA ASN A 24 3.655 3.501 3.917 1.00 0.00 C ATOM 403 C ASN A 24 2.501 2.520 3.737 1.00 0.00 C ATOM 404 O ASN A 24 1.930 2.066 4.727 1.00 0.00 O ATOM 405 CB ASN A 24 4.488 3.117 5.146 1.00 0.00 C ATOM 406 CG ASN A 24 5.912 3.675 5.195 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.826 2.972 5.621 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.122 4.938 4.818 1.00 0.00 N ATOM 0 H ASN A 24 2.481 4.912 4.891 1.00 0.00 H new ATOM 0 HA ASN A 24 4.301 3.474 3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.958 3.451 6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.544 2.030 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.057 5.340 4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.347 5.501 4.468 1.00 0.00 H new ATOM 415 N CYS A 25 2.187 2.158 2.486 1.00 0.00 N ATOM 416 CA CYS A 25 1.270 1.060 2.218 1.00 0.00 C ATOM 417 C CYS A 25 2.083 -0.213 2.382 1.00 0.00 C ATOM 418 O CYS A 25 2.934 -0.494 1.542 1.00 0.00 O ATOM 419 CB CYS A 25 0.672 1.124 0.804 1.00 0.00 C ATOM 420 SG CYS A 25 -0.073 2.702 0.314 1.00 0.00 S ATOM 0 H CYS A 25 2.557 2.612 1.651 1.00 0.00 H new ATOM 0 HA CYS A 25 0.424 1.106 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.458 0.881 0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.087 0.347 0.719 1.00 0.00 H new ATOM 425 N TYR A 26 1.858 -0.951 3.472 1.00 0.00 N ATOM 426 CA TYR A 26 2.516 -2.223 3.716 1.00 0.00 C ATOM 427 C TYR A 26 1.484 -3.332 3.558 1.00 0.00 C ATOM 428 O TYR A 26 0.406 -3.245 4.143 1.00 0.00 O ATOM 429 CB TYR A 26 3.137 -2.226 5.117 1.00 0.00 C ATOM 430 CG TYR A 26 3.863 -3.506 5.495 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.576 -4.252 4.539 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.753 -4.000 6.804 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.054 -5.531 4.855 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.225 -5.281 7.125 1.00 0.00 C ATOM 435 CZ TYR A 26 4.900 -6.041 6.156 1.00 0.00 C ATOM 436 OH TYR A 26 5.408 -7.264 6.486 1.00 0.00 O ATOM 0 H TYR A 26 1.210 -0.676 4.210 1.00 0.00 H new ATOM 0 HA TYR A 26 3.323 -2.385 3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.837 -1.394 5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.349 -2.044 5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.756 -3.838 3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.301 -3.388 7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.542 -6.126 4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.070 -5.682 8.116 1.00 0.00 H new ATOM 0 HH TYR A 26 6.102 -7.515 5.841 1.00 0.00 H new ATOM 446 N VAL A 27 1.814 -4.360 2.765 1.00 0.00 N ATOM 447 CA VAL A 27 0.953 -5.507 2.517 1.00 0.00 C ATOM 448 C VAL A 27 1.796 -6.746 2.783 1.00 0.00 C ATOM 449 O VAL A 27 2.980 -6.740 2.453 1.00 0.00 O ATOM 450 CB VAL A 27 0.442 -5.506 1.064 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.727 -6.481 0.917 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.049 -4.125 0.652 1.00 0.00 C ATOM 0 H VAL A 27 2.705 -4.412 2.272 1.00 0.00 H new ATOM 0 HA VAL A 27 0.075 -5.480 3.162 1.00 0.00 H new ATOM 0 HB VAL A 27 1.276 -5.803 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.081 -6.472 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.397 -7.486 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.537 -6.180 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.403 -4.157 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.865 -3.819 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.769 -3.409 0.732 1.00 0.00 H new ATOM 462 N SER A 28 1.208 -7.798 3.364 1.00 0.00 N ATOM 463 CA SER A 28 1.926 -9.035 3.622 1.00 0.00 C ATOM 464 C SER A 28 0.981 -10.224 3.768 1.00 0.00 C ATOM 465 O SER A 28 -0.237 -10.064 3.740 1.00 0.00 O ATOM 466 CB SER A 28 2.822 -8.875 4.861 1.00 0.00 C ATOM 467 OG SER A 28 2.049 -8.673 6.026 1.00 0.00 O ATOM 0 H SER A 28 0.233 -7.809 3.663 1.00 0.00 H new ATOM 0 HA SER A 28 2.558 -9.245 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.442 -9.763 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.498 -8.032 4.718 1.00 0.00 H new ATOM 0 HG SER A 28 2.643 -8.576 6.800 1.00 0.00 H new ATOM 473 N GLY A 29 1.560 -11.423 3.911 1.00 0.00 N ATOM 474 CA GLY A 29 0.824 -12.653 4.158 1.00 0.00 C ATOM 475 C GLY A 29 0.420 -13.376 2.872 1.00 0.00 C ATOM 476 O GLY A 29 0.108 -14.564 2.919 1.00 0.00 O ATOM 0 H GLY A 29 2.569 -11.560 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.435 -13.320 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.071 -12.424 4.736 1.00 0.00 H new ATOM 480 N PHE A 30 0.419 -12.670 1.734 1.00 0.00 N ATOM 481 CA PHE A 30 -0.023 -13.186 0.446 1.00 0.00 C ATOM 482 C PHE A 30 1.112 -13.954 -0.245 1.00 0.00 C ATOM 483 O PHE A 30 2.237 -13.929 0.238 1.00 0.00 O ATOM 484 CB PHE A 30 -0.554 -12.023 -0.405 1.00 0.00 C ATOM 485 CG PHE A 30 0.488 -10.989 -0.775 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.309 -11.217 -1.892 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.704 -9.853 0.032 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.408 -10.389 -2.144 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.796 -9.010 -0.233 1.00 0.00 C ATOM 490 CZ PHE A 30 2.666 -9.309 -1.292 1.00 0.00 C ATOM 0 H PHE A 30 0.735 -11.701 1.690 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.836 -13.899 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.987 -12.427 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.360 -11.530 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.090 -12.037 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.034 -9.632 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.052 -10.582 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.965 -8.135 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.543 -8.700 -1.451 1.00 0.00 H new ATOM 500 N HIS A 31 0.814 -14.615 -1.373 1.00 0.00 N ATOM 501 CA HIS A 31 1.748 -15.189 -2.349 1.00 0.00 C ATOM 502 C HIS A 31 0.874 -15.627 -3.541 1.00 0.00 C ATOM 503 O HIS A 31 -0.299 -15.929 -3.319 1.00 0.00 O ATOM 504 CB HIS A 31 2.590 -16.331 -1.745 1.00 0.00 C ATOM 505 CG HIS A 31 2.030 -17.721 -1.888 1.00 0.00 C ATOM 506 ND1 HIS A 31 1.624 -18.472 -0.787 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.921 -18.493 -3.013 1.00 0.00 C ATOM 508 CE1 HIS A 31 1.272 -19.657 -1.293 1.00 0.00 C ATOM 509 NE2 HIS A 31 1.437 -19.721 -2.625 1.00 0.00 N ATOM 0 H HIS A 31 -0.156 -14.773 -1.645 1.00 0.00 H new ATOM 0 HA HIS A 31 2.497 -14.466 -2.672 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.576 -16.310 -2.208 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.732 -16.127 -0.684 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.169 -18.193 -4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.896 -20.475 -0.696 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.242 -20.520 -3.228 1.00 0.00 H new ATOM 517 N PRO A 32 1.361 -15.665 -4.797 1.00 0.00 N ATOM 518 CA PRO A 32 2.741 -15.501 -5.240 1.00 0.00 C ATOM 519 C PRO A 32 3.106 -14.020 -5.438 1.00 0.00 C ATOM 520 O PRO A 32 2.462 -13.131 -4.882 1.00 0.00 O ATOM 521 CB PRO A 32 2.803 -16.318 -6.542 1.00 0.00 C ATOM 522 CG PRO A 32 1.429 -16.064 -7.150 1.00 0.00 C ATOM 523 CD PRO A 32 0.533 -16.093 -5.916 1.00 0.00 C ATOM 0 HA PRO A 32 3.470 -15.849 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.606 -15.980 -7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.973 -17.377 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.381 -15.106 -7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.154 -16.831 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.323 -15.430 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.138 -17.095 -5.746 1.00 0.00 H new ATOM 531 N SER A 33 4.173 -13.770 -6.208 1.00 0.00 N ATOM 532 CA SER A 33 4.933 -12.529 -6.248 1.00 0.00 C ATOM 533 C SER A 33 4.380 -11.462 -7.202 1.00 0.00 C ATOM 534 O SER A 33 5.146 -10.601 -7.633 1.00 0.00 O ATOM 535 CB SER A 33 6.363 -12.907 -6.660 1.00 0.00 C ATOM 536 OG SER A 33 6.382 -13.390 -7.987 1.00 0.00 O ATOM 0 H SER A 33 4.543 -14.470 -6.851 1.00 0.00 H new ATOM 0 HA SER A 33 4.877 -12.068 -5.262 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.015 -12.038 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.754 -13.667 -5.984 1.00 0.00 H new ATOM 0 HG SER A 33 7.300 -13.625 -8.236 1.00 0.00 H new ATOM 542 N ASP A 34 3.090 -11.518 -7.558 1.00 0.00 N ATOM 543 CA ASP A 34 2.513 -10.687 -8.610 1.00 0.00 C ATOM 544 C ASP A 34 1.386 -9.817 -8.046 1.00 0.00 C ATOM 545 O ASP A 34 0.220 -10.202 -8.101 1.00 0.00 O ATOM 546 CB ASP A 34 2.048 -11.598 -9.755 1.00 0.00 C ATOM 547 CG ASP A 34 1.498 -10.813 -10.946 1.00 0.00 C ATOM 548 OD1 ASP A 34 2.137 -9.804 -11.311 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.457 -11.249 -11.485 1.00 0.00 O ATOM 0 H ASP A 34 2.418 -12.147 -7.118 1.00 0.00 H new ATOM 0 HA ASP A 34 3.258 -9.998 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.884 -12.214 -10.086 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.279 -12.276 -9.385 1.00 0.00 H new ATOM 554 N ILE A 35 1.747 -8.654 -7.485 1.00 0.00 N ATOM 555 CA ILE A 35 0.815 -7.709 -6.876 1.00 0.00 C ATOM 556 C ILE A 35 1.106 -6.271 -7.302 1.00 0.00 C ATOM 557 O ILE A 35 2.252 -5.905 -7.560 1.00 0.00 O ATOM 558 CB ILE A 35 0.823 -7.872 -5.346 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.164 -6.943 -4.622 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.207 -7.657 -4.756 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.403 -7.390 -3.178 1.00 0.00 C ATOM 0 H ILE A 35 2.717 -8.342 -7.444 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.189 -7.936 -7.235 1.00 0.00 H new ATOM 0 HB ILE A 35 0.505 -8.902 -5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.223 -5.924 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.112 -6.928 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.165 -7.782 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.900 -8.385 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.551 -6.650 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.106 -6.709 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.814 -8.399 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.541 -7.380 -2.633 1.00 0.00 H new ATOM 573 N GLU A 36 0.035 -5.472 -7.354 1.00 0.00 N ATOM 574 CA GLU A 36 0.015 -4.075 -7.757 1.00 0.00 C ATOM 575 C GLU A 36 -0.472 -3.195 -6.609 1.00 0.00 C ATOM 576 O GLU A 36 -1.494 -3.504 -5.995 1.00 0.00 O ATOM 577 CB GLU A 36 -0.940 -3.886 -8.928 1.00 0.00 C ATOM 578 CG GLU A 36 -0.715 -4.918 -10.029 1.00 0.00 C ATOM 579 CD GLU A 36 -1.406 -4.481 -11.318 1.00 0.00 C ATOM 580 OE1 GLU A 36 -0.991 -3.433 -11.862 1.00 0.00 O ATOM 581 OE2 GLU A 36 -2.387 -5.150 -11.708 1.00 0.00 O ATOM 0 H GLU A 36 -0.893 -5.810 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 36 1.029 -3.792 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.968 -3.956 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.813 -2.885 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.353 -5.043 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.101 -5.887 -9.712 1.00 0.00 H new ATOM 588 N VAL A 37 0.243 -2.092 -6.352 1.00 0.00 N ATOM 589 CA VAL A 37 -0.072 -1.114 -5.318 1.00 0.00 C ATOM 590 C VAL A 37 0.303 0.271 -5.852 1.00 0.00 C ATOM 591 O VAL A 37 1.380 0.780 -5.554 1.00 0.00 O ATOM 592 CB VAL A 37 0.655 -1.491 -4.004 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.392 -0.563 -2.807 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.228 -2.896 -3.569 1.00 0.00 C ATOM 0 H VAL A 37 1.083 -1.854 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.135 -1.103 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 37 1.714 -1.410 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.950 -0.919 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.713 0.449 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.673 -0.560 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.740 -3.162 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.850 -2.915 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.490 -3.613 -4.347 1.00 0.00 H new ATOM 604 N ASP A 38 -0.597 0.877 -6.641 1.00 0.00 N ATOM 605 CA ASP A 38 -0.534 2.284 -7.019 1.00 0.00 C ATOM 606 C ASP A 38 -1.071 3.111 -5.853 1.00 0.00 C ATOM 607 O ASP A 38 -2.185 2.871 -5.388 1.00 0.00 O ATOM 608 CB ASP A 38 -1.387 2.570 -8.267 1.00 0.00 C ATOM 609 CG ASP A 38 -0.915 1.806 -9.501 1.00 0.00 C ATOM 610 OD1 ASP A 38 -1.269 0.610 -9.600 1.00 0.00 O ATOM 611 OD2 ASP A 38 -0.231 2.440 -10.334 1.00 0.00 O ATOM 0 H ASP A 38 -1.400 0.389 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 38 0.500 2.542 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.424 2.308 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.365 3.639 -8.478 1.00 0.00 H new ATOM 616 N LEU A 39 -0.295 4.092 -5.387 1.00 0.00 N ATOM 617 CA LEU A 39 -0.731 5.019 -4.361 1.00 0.00 C ATOM 618 C LEU A 39 -1.463 6.170 -5.064 1.00 0.00 C ATOM 619 O LEU A 39 -0.970 6.701 -6.058 1.00 0.00 O ATOM 620 CB LEU A 39 0.460 5.453 -3.494 1.00 0.00 C ATOM 621 CG LEU A 39 1.028 4.287 -2.658 1.00 0.00 C ATOM 622 CD1 LEU A 39 1.986 3.370 -3.417 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.839 4.846 -1.485 1.00 0.00 C ATOM 0 H LEU A 39 0.655 4.260 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.429 4.561 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.245 5.855 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.148 6.257 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 39 0.154 3.710 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.336 2.580 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.468 2.927 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.838 3.949 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.240 4.022 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.660 5.452 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.194 5.462 -0.858 1.00 0.00 H new ATOM 635 N LEU A 40 -2.682 6.480 -4.602 1.00 0.00 N ATOM 636 CA LEU A 40 -3.699 7.209 -5.354 1.00 0.00 C ATOM 637 C LEU A 40 -4.304 8.286 -4.451 1.00 0.00 C ATOM 638 O LEU A 40 -4.823 7.942 -3.392 1.00 0.00 O ATOM 639 CB LEU A 40 -4.759 6.179 -5.800 1.00 0.00 C ATOM 640 CG LEU A 40 -5.545 6.489 -7.085 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.338 7.796 -7.004 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.627 6.465 -8.310 1.00 0.00 C ATOM 0 H LEU A 40 -2.992 6.220 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.285 7.706 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.261 5.218 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.475 6.058 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.284 5.695 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.870 7.957 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.055 7.736 -6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.654 8.626 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.208 6.687 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.843 7.213 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.175 5.478 -8.407 1.00 0.00 H new ATOM 654 N LYS A 41 -4.246 9.574 -4.833 1.00 0.00 N ATOM 655 CA LYS A 41 -4.866 10.636 -4.046 1.00 0.00 C ATOM 656 C LYS A 41 -6.380 10.695 -4.285 1.00 0.00 C ATOM 657 O LYS A 41 -7.048 9.667 -4.362 1.00 0.00 O ATOM 658 CB LYS A 41 -4.154 11.977 -4.285 1.00 0.00 C ATOM 659 CG LYS A 41 -2.676 11.934 -3.911 1.00 0.00 C ATOM 660 CD LYS A 41 -1.750 12.132 -5.113 1.00 0.00 C ATOM 661 CE LYS A 41 -1.813 13.532 -5.743 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.581 14.610 -4.764 1.00 0.00 N ATOM 0 H LYS A 41 -3.777 9.896 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.743 10.407 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.251 12.253 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.649 12.755 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.472 12.707 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.453 10.976 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.724 11.933 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.001 11.393 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.069 13.602 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.789 13.673 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.109 15.409 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.492 14.927 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.979 14.256 -3.994 1.00 0.00 H new ATOM 676 N ASN A 42 -6.920 11.910 -4.408 1.00 0.00 N ATOM 677 CA ASN A 42 -8.303 12.175 -4.774 1.00 0.00 C ATOM 678 C ASN A 42 -8.626 11.678 -6.189 1.00 0.00 C ATOM 679 O ASN A 42 -9.791 11.434 -6.496 1.00 0.00 O ATOM 680 CB ASN A 42 -8.585 13.679 -4.645 1.00 0.00 C ATOM 681 CG ASN A 42 -7.831 14.500 -5.695 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.368 14.783 -6.763 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.582 14.874 -5.408 1.00 0.00 N ATOM 0 H ASN A 42 -6.383 12.762 -4.249 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.950 11.624 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.656 13.856 -4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.300 14.016 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.042 15.412 -6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.167 14.621 -4.511 1.00 0.00 H new ATOM 690 N GLY A 43 -7.607 11.542 -7.050 1.00 0.00 N ATOM 691 CA GLY A 43 -7.782 11.138 -8.435 1.00 0.00 C ATOM 692 C GLY A 43 -6.448 10.812 -9.110 1.00 0.00 C ATOM 693 O GLY A 43 -6.360 9.835 -9.850 1.00 0.00 O ATOM 0 H GLY A 43 -6.635 11.713 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.433 10.265 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.281 11.936 -8.985 1.00 0.00 H new ATOM 697 N GLU A 44 -5.415 11.632 -8.867 1.00 0.00 N ATOM 698 CA GLU A 44 -4.108 11.494 -9.501 1.00 0.00 C ATOM 699 C GLU A 44 -3.305 10.400 -8.793 1.00 0.00 C ATOM 700 O GLU A 44 -3.462 10.211 -7.587 1.00 0.00 O ATOM 701 CB GLU A 44 -3.392 12.853 -9.458 1.00 0.00 C ATOM 702 CG GLU A 44 -2.009 12.858 -10.123 1.00 0.00 C ATOM 703 CD GLU A 44 -2.075 12.453 -11.594 1.00 0.00 C ATOM 704 OE1 GLU A 44 -2.371 13.348 -12.415 1.00 0.00 O ATOM 705 OE2 GLU A 44 -1.844 11.254 -11.868 1.00 0.00 O ATOM 0 H GLU A 44 -5.470 12.416 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.215 11.196 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.020 13.597 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.284 13.161 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.572 13.853 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.348 12.175 -9.589 1.00 0.00 H new ATOM 712 N ARG A 45 -2.454 9.687 -9.546 1.00 0.00 N ATOM 713 CA ARG A 45 -1.602 8.630 -9.017 1.00 0.00 C ATOM 714 C ARG A 45 -0.179 9.129 -8.791 1.00 0.00 C ATOM 715 O ARG A 45 0.280 10.079 -9.421 1.00 0.00 O ATOM 716 CB ARG A 45 -1.647 7.367 -9.897 1.00 0.00 C ATOM 717 CG ARG A 45 -0.590 7.324 -11.010 1.00 0.00 C ATOM 718 CD ARG A 45 -0.644 5.979 -11.738 1.00 0.00 C ATOM 719 NE ARG A 45 0.473 5.851 -12.684 1.00 0.00 N ATOM 720 CZ ARG A 45 0.882 4.702 -13.248 1.00 0.00 C ATOM 721 NH1 ARG A 45 0.334 3.527 -12.904 1.00 0.00 N ATOM 722 NH2 ARG A 45 1.855 4.732 -14.167 1.00 0.00 N ATOM 0 H ARG A 45 -2.342 9.835 -10.549 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.998 8.342 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.520 6.492 -9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.636 7.291 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.762 8.136 -11.717 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.402 7.476 -10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.607 5.166 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.590 5.887 -12.271 1.00 0.00 H new ATOM 0 HE ARG A 45 0.978 6.702 -12.932 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.406 3.495 -12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.658 2.665 -13.343 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.278 5.621 -14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.173 3.866 -14.601 1.00 0.00 H new ATOM 736 N ILE A 46 0.513 8.452 -7.876 1.00 0.00 N ATOM 737 CA ILE A 46 1.841 8.749 -7.419 1.00 0.00 C ATOM 738 C ILE A 46 2.737 7.702 -8.068 1.00 0.00 C ATOM 739 O ILE A 46 2.699 6.540 -7.671 1.00 0.00 O ATOM 740 CB ILE A 46 1.776 8.621 -5.896 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.797 9.656 -5.313 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.156 8.810 -5.296 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.325 9.280 -3.912 1.00 0.00 C ATOM 0 H ILE A 46 0.123 7.631 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 46 2.224 9.737 -7.673 1.00 0.00 H new ATOM 0 HB ILE A 46 1.417 7.623 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.280 10.633 -5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.066 9.748 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.097 8.717 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.831 8.050 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.533 9.799 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.364 10.041 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.183 8.316 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.184 9.214 -3.244 1.00 0.00 H new ATOM 755 N GLU A 47 3.484 8.090 -9.106 1.00 0.00 N ATOM 756 CA GLU A 47 4.224 7.162 -9.937 1.00 0.00 C ATOM 757 C GLU A 47 5.565 6.801 -9.295 1.00 0.00 C ATOM 758 O GLU A 47 5.956 5.634 -9.317 1.00 0.00 O ATOM 759 CB GLU A 47 4.366 7.779 -11.330 1.00 0.00 C ATOM 760 CG GLU A 47 4.869 6.745 -12.331 1.00 0.00 C ATOM 761 CD GLU A 47 4.653 7.218 -13.764 1.00 0.00 C ATOM 762 OE1 GLU A 47 3.542 6.959 -14.280 1.00 0.00 O ATOM 763 OE2 GLU A 47 5.591 7.837 -14.312 1.00 0.00 O ATOM 0 H GLU A 47 3.587 9.065 -9.387 1.00 0.00 H new ATOM 0 HA GLU A 47 3.688 6.218 -10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.404 8.172 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.057 8.621 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.929 6.557 -12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.349 5.800 -12.174 1.00 0.00 H new ATOM 770 N LYS A 48 6.250 7.782 -8.689 1.00 0.00 N ATOM 771 CA LYS A 48 7.456 7.538 -7.909 1.00 0.00 C ATOM 772 C LYS A 48 7.056 6.991 -6.535 1.00 0.00 C ATOM 773 O LYS A 48 7.121 7.686 -5.523 1.00 0.00 O ATOM 774 CB LYS A 48 8.327 8.804 -7.863 1.00 0.00 C ATOM 775 CG LYS A 48 9.599 8.748 -6.997 1.00 0.00 C ATOM 776 CD LYS A 48 10.574 7.595 -7.295 1.00 0.00 C ATOM 777 CE LYS A 48 10.225 6.308 -6.535 1.00 0.00 C ATOM 778 NZ LYS A 48 11.385 5.413 -6.397 1.00 0.00 N ATOM 0 H LYS A 48 5.977 8.764 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 48 8.082 6.779 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.623 9.049 -8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.709 9.627 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.136 9.689 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.299 8.681 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.571 7.391 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.586 7.904 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.846 6.564 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.424 5.785 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.055 4.438 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.961 5.455 -7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.960 5.713 -5.584 1.00 0.00 H new ATOM 792 N VAL A 49 6.675 5.710 -6.525 1.00 0.00 N ATOM 793 CA VAL A 49 6.561 4.879 -5.337 1.00 0.00 C ATOM 794 C VAL A 49 7.914 4.195 -5.164 1.00 0.00 C ATOM 795 O VAL A 49 8.416 3.603 -6.119 1.00 0.00 O ATOM 796 CB VAL A 49 5.468 3.815 -5.542 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.274 2.987 -4.264 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.154 4.451 -6.006 1.00 0.00 C ATOM 0 H VAL A 49 6.430 5.211 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 49 6.295 5.473 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 49 5.795 3.139 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.497 2.240 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.209 2.488 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.978 3.644 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.402 3.674 -6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.809 5.162 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.315 4.970 -6.951 1.00 0.00 H new ATOM 808 N GLU A 50 8.502 4.264 -3.966 1.00 0.00 N ATOM 809 CA GLU A 50 9.711 3.527 -3.641 1.00 0.00 C ATOM 810 C GLU A 50 9.311 2.332 -2.783 1.00 0.00 C ATOM 811 O GLU A 50 8.161 2.240 -2.353 1.00 0.00 O ATOM 812 CB GLU A 50 10.711 4.471 -2.964 1.00 0.00 C ATOM 813 CG GLU A 50 12.161 4.039 -3.198 1.00 0.00 C ATOM 814 CD GLU A 50 13.088 5.251 -3.225 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.585 5.621 -2.141 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.256 5.797 -4.339 1.00 0.00 O ATOM 0 H GLU A 50 8.147 4.835 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 50 10.213 3.141 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.569 5.482 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.511 4.502 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.473 3.354 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.236 3.496 -4.140 1.00 0.00 H new ATOM 823 N HIS A 51 10.235 1.397 -2.551 1.00 0.00 N ATOM 824 CA HIS A 51 9.906 0.179 -1.835 1.00 0.00 C ATOM 825 C HIS A 51 11.065 -0.321 -0.986 1.00 0.00 C ATOM 826 O HIS A 51 12.210 0.092 -1.162 1.00 0.00 O ATOM 827 CB HIS A 51 9.388 -0.890 -2.812 1.00 0.00 C ATOM 828 CG HIS A 51 10.325 -1.306 -3.924 1.00 0.00 C ATOM 829 ND1 HIS A 51 9.847 -1.496 -5.221 1.00 0.00 N ATOM 830 CD2 HIS A 51 11.656 -1.641 -3.898 1.00 0.00 C ATOM 831 CE1 HIS A 51 10.895 -1.951 -5.915 1.00 0.00 C ATOM 832 NE2 HIS A 51 11.998 -2.073 -5.161 1.00 0.00 N ATOM 0 H HIS A 51 11.208 1.466 -2.849 1.00 0.00 H new ATOM 0 HA HIS A 51 9.104 0.406 -1.133 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.127 -1.778 -2.237 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.467 -0.521 -3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.314 -1.578 -3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.858 -2.194 -6.967 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.909 -2.417 -5.463 1.00 0.00 H new ATOM 840 N SER A 52 10.733 -1.228 -0.062 1.00 0.00 N ATOM 841 CA SER A 52 11.700 -2.028 0.682 1.00 0.00 C ATOM 842 C SER A 52 12.094 -3.295 -0.097 1.00 0.00 C ATOM 843 O SER A 52 12.950 -4.051 0.358 1.00 0.00 O ATOM 844 CB SER A 52 11.117 -2.355 2.062 1.00 0.00 C ATOM 845 OG SER A 52 12.070 -2.978 2.897 1.00 0.00 O ATOM 0 H SER A 52 9.765 -1.427 0.192 1.00 0.00 H new ATOM 0 HA SER A 52 12.619 -1.458 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.763 -1.438 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.252 -3.008 1.946 1.00 0.00 H new ATOM 0 HG SER A 52 12.628 -3.581 2.363 1.00 0.00 H new ATOM 851 N ASP A 53 11.476 -3.522 -1.267 1.00 0.00 N ATOM 852 CA ASP A 53 11.689 -4.667 -2.144 1.00 0.00 C ATOM 853 C ASP A 53 11.068 -5.931 -1.540 1.00 0.00 C ATOM 854 O ASP A 53 10.477 -5.883 -0.460 1.00 0.00 O ATOM 855 CB ASP A 53 13.176 -4.824 -2.512 1.00 0.00 C ATOM 856 CG ASP A 53 13.357 -5.387 -3.921 1.00 0.00 C ATOM 857 OD1 ASP A 53 13.245 -6.624 -4.063 1.00 0.00 O ATOM 858 OD2 ASP A 53 13.592 -4.567 -4.835 1.00 0.00 O ATOM 0 H ASP A 53 10.781 -2.875 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 53 11.172 -4.491 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.672 -3.856 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.661 -5.484 -1.792 1.00 0.00 H new ATOM 863 N LEU A 54 11.162 -7.057 -2.255 1.00 0.00 N ATOM 864 CA LEU A 54 10.516 -8.289 -1.844 1.00 0.00 C ATOM 865 C LEU A 54 11.304 -8.919 -0.699 1.00 0.00 C ATOM 866 O LEU A 54 12.459 -9.308 -0.864 1.00 0.00 O ATOM 867 CB LEU A 54 10.322 -9.237 -3.038 1.00 0.00 C ATOM 868 CG LEU A 54 9.189 -10.267 -2.849 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.322 -11.115 -1.583 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.800 -9.615 -2.914 1.00 0.00 C ATOM 0 H LEU A 54 11.686 -7.131 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 54 9.514 -8.073 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.114 -8.644 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.255 -9.769 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 54 9.295 -10.950 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.487 -11.814 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.259 -11.671 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.314 -10.466 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.033 -10.377 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.713 -8.866 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.667 -9.138 -3.885 1.00 0.00 H new ATOM 882 N SER A 55 10.648 -9.017 0.459 1.00 0.00 N ATOM 883 CA SER A 55 11.146 -9.658 1.658 1.00 0.00 C ATOM 884 C SER A 55 10.100 -10.685 2.075 1.00 0.00 C ATOM 885 O SER A 55 9.128 -10.342 2.738 1.00 0.00 O ATOM 886 CB SER A 55 11.371 -8.596 2.740 1.00 0.00 C ATOM 887 OG SER A 55 11.829 -9.205 3.930 1.00 0.00 O ATOM 0 H SER A 55 9.712 -8.631 0.583 1.00 0.00 H new ATOM 0 HA SER A 55 12.101 -10.157 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.099 -7.862 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.442 -8.058 2.931 1.00 0.00 H new ATOM 0 HG SER A 55 11.971 -8.519 4.615 1.00 0.00 H new ATOM 893 N PHE A 56 10.289 -11.951 1.691 1.00 0.00 N ATOM 894 CA PHE A 56 9.369 -13.021 2.056 1.00 0.00 C ATOM 895 C PHE A 56 9.717 -13.632 3.425 1.00 0.00 C ATOM 896 O PHE A 56 9.311 -14.757 3.719 1.00 0.00 O ATOM 897 CB PHE A 56 9.276 -14.046 0.919 1.00 0.00 C ATOM 898 CG PHE A 56 10.525 -14.835 0.595 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.540 -14.260 -0.192 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.593 -16.199 0.931 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.675 -15.011 -0.538 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.710 -16.964 0.551 1.00 0.00 C ATOM 903 CZ PHE A 56 12.764 -16.362 -0.159 1.00 0.00 C ATOM 0 H PHE A 56 11.079 -12.257 1.123 1.00 0.00 H new ATOM 0 HA PHE A 56 8.370 -12.605 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.484 -14.753 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.964 -13.521 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.446 -13.239 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.786 -16.660 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.478 -14.551 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.758 -18.013 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.642 -16.937 -0.413 1.00 0.00 H new ATOM 913 N SER A 57 10.443 -12.877 4.269 1.00 0.00 N ATOM 914 CA SER A 57 10.912 -13.242 5.606 1.00 0.00 C ATOM 915 C SER A 57 11.537 -14.639 5.653 1.00 0.00 C ATOM 916 O SER A 57 11.379 -15.343 6.647 1.00 0.00 O ATOM 917 CB SER A 57 9.781 -13.078 6.631 1.00 0.00 C ATOM 918 OG SER A 57 8.716 -13.982 6.414 1.00 0.00 O ATOM 0 H SER A 57 10.734 -11.934 4.012 1.00 0.00 H new ATOM 0 HA SER A 57 11.715 -12.554 5.872 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.180 -13.227 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.401 -12.057 6.587 1.00 0.00 H new ATOM 0 HG SER A 57 8.863 -14.465 5.574 1.00 0.00 H new ATOM 924 N LYS A 58 12.221 -15.032 4.568 1.00 0.00 N ATOM 925 CA LYS A 58 12.577 -16.399 4.183 1.00 0.00 C ATOM 926 C LYS A 58 11.757 -17.513 4.867 1.00 0.00 C ATOM 927 O LYS A 58 12.310 -18.531 5.279 1.00 0.00 O ATOM 928 CB LYS A 58 14.102 -16.586 4.227 1.00 0.00 C ATOM 929 CG LYS A 58 14.578 -17.721 3.311 1.00 0.00 C ATOM 930 CD LYS A 58 16.109 -17.756 3.250 1.00 0.00 C ATOM 931 CE LYS A 58 16.580 -18.876 2.316 1.00 0.00 C ATOM 932 NZ LYS A 58 18.041 -18.844 2.129 1.00 0.00 N ATOM 0 H LYS A 58 12.563 -14.351 3.890 1.00 0.00 H new ATOM 0 HA LYS A 58 12.270 -16.526 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.588 -15.656 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.410 -16.796 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.201 -18.675 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.171 -17.582 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.487 -16.796 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.516 -17.912 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.286 -19.842 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.086 -18.777 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.326 -19.615 1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.318 -17.931 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.511 -18.963 3.049 1.00 0.00 H new ATOM 946 N ASP A 59 10.429 -17.324 4.940 1.00 0.00 N ATOM 947 CA ASP A 59 9.475 -18.240 5.556 1.00 0.00 C ATOM 948 C ASP A 59 8.480 -18.726 4.492 1.00 0.00 C ATOM 949 O ASP A 59 8.674 -18.492 3.299 1.00 0.00 O ATOM 950 CB ASP A 59 8.758 -17.489 6.694 1.00 0.00 C ATOM 951 CG ASP A 59 8.128 -18.424 7.725 1.00 0.00 C ATOM 952 OD1 ASP A 59 8.876 -18.885 8.613 1.00 0.00 O ATOM 953 OD2 ASP A 59 6.911 -18.679 7.594 1.00 0.00 O ATOM 0 H ASP A 59 9.980 -16.493 4.554 1.00 0.00 H new ATOM 0 HA ASP A 59 9.978 -19.115 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.471 -16.834 7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.983 -16.852 6.269 1.00 0.00 H new ATOM 958 N TRP A 60 7.376 -19.341 4.928 1.00 0.00 N ATOM 959 CA TRP A 60 6.216 -19.640 4.106 1.00 0.00 C ATOM 960 C TRP A 60 5.302 -18.409 4.102 1.00 0.00 C ATOM 961 O TRP A 60 4.182 -18.456 4.609 1.00 0.00 O ATOM 962 CB TRP A 60 5.516 -20.885 4.666 1.00 0.00 C ATOM 963 CG TRP A 60 6.380 -22.108 4.756 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.251 -22.378 5.754 1.00 0.00 C ATOM 965 CD2 TRP A 60 6.498 -23.217 3.816 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.899 -23.570 5.505 1.00 0.00 N ATOM 967 CE2 TRP A 60 7.475 -24.128 4.316 1.00 0.00 C ATOM 968 CE3 TRP A 60 5.883 -23.547 2.588 1.00 0.00 C ATOM 969 CZ2 TRP A 60 7.828 -25.301 3.631 1.00 0.00 C ATOM 970 CZ3 TRP A 60 6.226 -24.723 1.895 1.00 0.00 C ATOM 971 CH2 TRP A 60 7.201 -25.596 2.410 1.00 0.00 C ATOM 0 H TRP A 60 7.269 -19.651 5.894 1.00 0.00 H new ATOM 0 HA TRP A 60 6.498 -19.859 3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.135 -20.653 5.660 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.654 -21.112 4.039 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.415 -21.752 6.619 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.600 -23.985 6.119 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.137 -22.885 2.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.573 -25.969 4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.737 -24.957 0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 60 7.467 -26.491 1.867 1.00 0.00 H new ATOM 982 N SER A 61 5.803 -17.300 3.546 1.00 0.00 N ATOM 983 CA SER A 61 5.142 -15.999 3.474 1.00 0.00 C ATOM 984 C SER A 61 5.642 -15.268 2.228 1.00 0.00 C ATOM 985 O SER A 61 6.410 -15.843 1.463 1.00 0.00 O ATOM 986 CB SER A 61 5.436 -15.213 4.757 1.00 0.00 C ATOM 987 OG SER A 61 4.717 -15.809 5.814 1.00 0.00 O ATOM 0 H SER A 61 6.727 -17.289 3.114 1.00 0.00 H new ATOM 0 HA SER A 61 4.061 -16.111 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.505 -15.222 4.972 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.143 -14.170 4.639 1.00 0.00 H new ATOM 0 HG SER A 61 4.893 -15.321 6.645 1.00 0.00 H new ATOM 993 N PHE A 62 5.201 -14.020 2.016 1.00 0.00 N ATOM 994 CA PHE A 62 5.620 -13.164 0.911 1.00 0.00 C ATOM 995 C PHE A 62 5.138 -11.750 1.227 1.00 0.00 C ATOM 996 O PHE A 62 3.978 -11.599 1.613 1.00 0.00 O ATOM 997 CB PHE A 62 5.013 -13.654 -0.416 1.00 0.00 C ATOM 998 CG PHE A 62 5.995 -13.761 -1.554 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.891 -14.842 -1.604 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.036 -12.778 -2.555 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.890 -14.893 -2.581 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.033 -12.834 -3.538 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.966 -13.885 -3.553 1.00 0.00 C ATOM 0 H PHE A 62 4.523 -13.570 2.631 1.00 0.00 H new ATOM 0 HA PHE A 62 6.704 -13.187 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.558 -14.631 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.212 -12.974 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.807 -15.640 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.304 -11.984 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.601 -15.706 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.085 -12.062 -4.291 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.737 -13.916 -4.309 1.00 0.00 H new ATOM 1013 N TYR A 63 5.987 -10.721 1.076 1.00 0.00 N ATOM 1014 CA TYR A 63 5.520 -9.351 1.254 1.00 0.00 C ATOM 1015 C TYR A 63 6.531 -8.344 0.719 1.00 0.00 C ATOM 1016 O TYR A 63 7.654 -8.696 0.362 1.00 0.00 O ATOM 1017 CB TYR A 63 5.298 -9.029 2.729 1.00 0.00 C ATOM 1018 CG TYR A 63 6.439 -9.292 3.668 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.381 -8.268 3.864 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.407 -10.400 4.529 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.293 -8.344 4.923 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.316 -10.474 5.593 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.250 -9.438 5.804 1.00 0.00 C ATOM 1024 OH TYR A 63 9.106 -9.479 6.865 1.00 0.00 O ATOM 0 H TYR A 63 6.974 -10.814 0.837 1.00 0.00 H new ATOM 0 HA TYR A 63 4.583 -9.275 0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.031 -7.975 2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.438 -9.602 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.401 -7.420 3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.687 -11.190 4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.027 -7.564 5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.301 -11.328 6.254 1.00 0.00 H new ATOM 0 HH TYR A 63 8.802 -10.156 7.505 1.00 0.00 H new ATOM 1034 N LEU A 64 6.128 -7.069 0.740 1.00 0.00 N ATOM 1035 CA LEU A 64 6.949 -5.933 0.365 1.00 0.00 C ATOM 1036 C LEU A 64 6.278 -4.679 0.905 1.00 0.00 C ATOM 1037 O LEU A 64 5.061 -4.652 1.082 1.00 0.00 O ATOM 1038 CB LEU A 64 7.218 -5.857 -1.155 1.00 0.00 C ATOM 1039 CG LEU A 64 5.999 -5.643 -2.072 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.373 -5.731 -3.558 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.925 -6.708 -1.880 1.00 0.00 C ATOM 0 H LEU A 64 5.188 -6.800 1.030 1.00 0.00 H new ATOM 0 HA LEU A 64 7.940 -6.041 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.923 -5.045 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.712 -6.780 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 64 5.633 -4.653 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.483 -5.574 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.113 -4.966 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.789 -6.716 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.090 -6.508 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.342 -7.690 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.574 -6.689 -0.848 1.00 0.00 H new ATOM 1053 N LEU A 65 7.087 -3.663 1.208 1.00 0.00 N ATOM 1054 CA LEU A 65 6.644 -2.381 1.717 1.00 0.00 C ATOM 1055 C LEU A 65 6.751 -1.386 0.566 1.00 0.00 C ATOM 1056 O LEU A 65 7.766 -1.392 -0.126 1.00 0.00 O ATOM 1057 CB LEU A 65 7.559 -2.017 2.889 1.00 0.00 C ATOM 1058 CG LEU A 65 6.857 -1.178 3.956 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.885 -0.836 5.032 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.269 0.095 3.352 1.00 0.00 C ATOM 0 H LEU A 65 8.100 -3.720 1.100 1.00 0.00 H new ATOM 0 HA LEU A 65 5.615 -2.387 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.938 -2.932 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.422 -1.468 2.512 1.00 0.00 H new ATOM 0 HG LEU A 65 6.029 -1.741 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.412 -0.236 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.273 -1.756 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.704 -0.272 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.775 0.674 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.068 0.690 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.544 -0.169 2.582 1.00 0.00 H new ATOM 1072 N TYR A 66 5.707 -0.576 0.336 1.00 0.00 N ATOM 1073 CA TYR A 66 5.574 0.253 -0.849 1.00 0.00 C ATOM 1074 C TYR A 66 5.206 1.675 -0.405 1.00 0.00 C ATOM 1075 O TYR A 66 4.032 1.981 -0.192 1.00 0.00 O ATOM 1076 CB TYR A 66 4.497 -0.330 -1.801 1.00 0.00 C ATOM 1077 CG TYR A 66 4.311 -1.843 -1.912 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.771 -2.561 -0.824 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.268 -2.435 -3.192 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.115 -3.781 -1.019 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.573 -3.642 -3.393 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.939 -4.277 -2.314 1.00 0.00 C ATOM 1083 OH TYR A 66 2.158 -5.372 -2.517 1.00 0.00 O ATOM 0 H TYR A 66 4.925 -0.484 0.984 1.00 0.00 H new ATOM 0 HA TYR A 66 6.515 0.275 -1.398 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.538 0.093 -1.503 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.713 0.044 -2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.866 -2.162 0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.771 -1.960 -4.021 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.745 -4.338 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.527 -4.080 -4.379 1.00 0.00 H new ATOM 0 HH TYR A 66 1.297 -5.248 -2.066 1.00 0.00 H new ATOM 1093 N TYR A 67 6.215 2.535 -0.221 1.00 0.00 N ATOM 1094 CA TYR A 67 6.044 3.851 0.387 1.00 0.00 C ATOM 1095 C TYR A 67 6.242 4.999 -0.594 1.00 0.00 C ATOM 1096 O TYR A 67 6.916 4.875 -1.614 1.00 0.00 O ATOM 1097 CB TYR A 67 6.971 4.028 1.598 1.00 0.00 C ATOM 1098 CG TYR A 67 8.305 3.314 1.559 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.175 3.465 0.467 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.669 2.481 2.628 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.400 2.777 0.443 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.888 1.790 2.603 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.761 1.942 1.516 1.00 0.00 C ATOM 1104 OH TYR A 67 11.951 1.275 1.510 1.00 0.00 O ATOM 0 H TYR A 67 7.177 2.332 -0.493 1.00 0.00 H new ATOM 0 HA TYR A 67 5.006 3.891 0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.162 5.094 1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.435 3.693 2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.902 4.110 -0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.007 2.372 3.474 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.065 2.889 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.156 1.139 3.422 1.00 0.00 H new ATOM 0 HH TYR A 67 12.328 1.286 0.605 1.00 0.00 H new ATOM 1114 N THR A 68 5.655 6.136 -0.221 1.00 0.00 N ATOM 1115 CA THR A 68 5.804 7.414 -0.900 1.00 0.00 C ATOM 1116 C THR A 68 5.946 8.525 0.141 1.00 0.00 C ATOM 1117 O THR A 68 5.535 8.362 1.291 1.00 0.00 O ATOM 1118 CB THR A 68 4.613 7.677 -1.832 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.888 8.819 -2.619 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.292 7.894 -1.084 1.00 0.00 C ATOM 0 H THR A 68 5.041 6.190 0.592 1.00 0.00 H new ATOM 0 HA THR A 68 6.702 7.392 -1.518 1.00 0.00 H new ATOM 0 HB THR A 68 4.488 6.787 -2.448 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.206 9.503 -2.452 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.492 8.074 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.057 7.007 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.386 8.755 -0.422 1.00 0.00 H new ATOM 1128 N GLU A 69 6.469 9.674 -0.290 1.00 0.00 N ATOM 1129 CA GLU A 69 6.539 10.885 0.504 1.00 0.00 C ATOM 1130 C GLU A 69 5.265 11.696 0.217 1.00 0.00 C ATOM 1131 O GLU A 69 5.250 12.556 -0.664 1.00 0.00 O ATOM 1132 CB GLU A 69 7.859 11.606 0.178 1.00 0.00 C ATOM 1133 CG GLU A 69 8.564 12.188 1.410 1.00 0.00 C ATOM 1134 CD GLU A 69 7.881 13.408 2.016 1.00 0.00 C ATOM 1135 OE1 GLU A 69 6.884 13.879 1.428 1.00 0.00 O ATOM 1136 OE2 GLU A 69 8.386 13.860 3.066 1.00 0.00 O ATOM 0 H GLU A 69 6.863 9.783 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 69 6.561 10.702 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.532 10.907 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.658 12.411 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.635 11.412 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.583 12.458 1.135 1.00 0.00 H new ATOM 1143 N PHE A 70 4.168 11.371 0.916 1.00 0.00 N ATOM 1144 CA PHE A 70 2.877 12.012 0.687 1.00 0.00 C ATOM 1145 C PHE A 70 2.824 13.394 1.329 1.00 0.00 C ATOM 1146 O PHE A 70 3.214 13.572 2.478 1.00 0.00 O ATOM 1147 CB PHE A 70 1.693 11.169 1.181 1.00 0.00 C ATOM 1148 CG PHE A 70 1.281 11.377 2.624 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.087 10.861 3.643 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.143 12.132 2.963 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.632 10.854 4.968 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.143 12.369 4.317 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.550 11.669 5.318 1.00 0.00 C ATOM 0 H PHE A 70 4.156 10.662 1.649 1.00 0.00 H new ATOM 0 HA PHE A 70 2.783 12.111 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.833 11.380 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.941 10.116 1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.064 10.466 3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.503 12.524 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.109 10.229 5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.898 13.092 4.589 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.250 11.759 6.351 1.00 0.00 H new ATOM 1163 N THR A 71 2.292 14.358 0.585 1.00 0.00 N ATOM 1164 CA THR A 71 2.082 15.719 1.048 1.00 0.00 C ATOM 1165 C THR A 71 0.574 15.982 1.015 1.00 0.00 C ATOM 1166 O THR A 71 0.017 16.118 -0.075 1.00 0.00 O ATOM 1167 CB THR A 71 2.848 16.694 0.144 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.218 16.355 0.096 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.722 18.120 0.688 1.00 0.00 C ATOM 0 H THR A 71 1.989 14.208 -0.377 1.00 0.00 H new ATOM 0 HA THR A 71 2.454 15.860 2.063 1.00 0.00 H new ATOM 0 HB THR A 71 2.421 16.633 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.691 16.986 -0.486 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.268 18.806 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.671 18.407 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.137 18.163 1.695 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.110 16.029 2.168 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.549 16.214 2.222 1.00 0.00 C ATOM 1179 C PRO A 72 -1.871 17.695 2.028 1.00 0.00 C ATOM 1180 O PRO A 72 -1.970 18.447 2.996 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.966 15.692 3.596 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.746 16.005 4.463 1.00 0.00 C ATOM 1183 CD PRO A 72 0.438 15.860 3.505 1.00 0.00 C ATOM 0 HA PRO A 72 -2.089 15.681 1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.862 16.192 3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.183 14.624 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.801 17.010 4.880 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.666 15.315 5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.202 16.609 3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.911 14.884 3.613 1.00 0.00 H new ATOM 1191 N THR A 73 -2.039 18.117 0.771 1.00 0.00 N ATOM 1192 CA THR A 73 -2.318 19.503 0.411 1.00 0.00 C ATOM 1193 C THR A 73 -3.822 19.780 0.517 1.00 0.00 C ATOM 1194 O THR A 73 -4.474 20.200 -0.437 1.00 0.00 O ATOM 1195 CB THR A 73 -1.766 19.776 -0.980 1.00 0.00 C ATOM 1196 OG1 THR A 73 -0.501 19.168 -1.144 1.00 0.00 O ATOM 1197 CG2 THR A 73 -1.623 21.273 -1.277 1.00 0.00 C ATOM 0 H THR A 73 -1.983 17.493 -0.034 1.00 0.00 H new ATOM 0 HA THR A 73 -1.824 20.185 1.103 1.00 0.00 H new ATOM 0 HB THR A 73 -2.488 19.352 -1.678 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.163 19.353 -2.045 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.225 21.408 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.599 21.753 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.943 21.724 -0.554 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.347 19.528 1.715 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.725 19.714 2.138 1.00 0.00 C ATOM 1207 C GLU A 74 -6.670 18.727 1.450 1.00 0.00 C ATOM 1208 O GLU A 74 -7.162 17.801 2.092 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.144 21.187 1.995 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.506 21.458 2.650 1.00 0.00 C ATOM 1211 CD GLU A 74 -8.672 21.303 1.676 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -8.859 22.228 0.856 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -9.371 20.269 1.762 1.00 0.00 O ATOM 0 H GLU A 74 -3.770 19.160 2.471 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.799 19.479 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.388 21.826 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.190 21.451 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.644 20.774 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.513 22.468 3.060 1.00 0.00 H new ATOM 1220 N LYS A 75 -6.930 18.929 0.153 1.00 0.00 N ATOM 1221 CA LYS A 75 -7.938 18.198 -0.601 1.00 0.00 C ATOM 1222 C LYS A 75 -7.290 17.053 -1.388 1.00 0.00 C ATOM 1223 O LYS A 75 -7.562 16.870 -2.573 1.00 0.00 O ATOM 1224 CB LYS A 75 -8.702 19.199 -1.484 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.142 18.739 -1.753 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.015 19.834 -2.386 1.00 0.00 C ATOM 1227 CE LYS A 75 -11.068 21.155 -1.600 1.00 0.00 C ATOM 1228 NZ LYS A 75 -11.313 20.964 -0.158 1.00 0.00 N ATOM 0 H LYS A 75 -6.432 19.621 -0.407 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.660 17.724 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.717 20.175 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.177 19.323 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.123 17.871 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.596 18.417 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.643 20.040 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.030 19.452 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.127 21.688 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.854 21.786 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.321 21.889 0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.232 20.496 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.560 20.372 0.247 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.443 16.271 -0.704 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.767 15.100 -1.245 1.00 0.00 C ATOM 1244 C ASP A 76 -5.841 13.989 -0.205 1.00 0.00 C ATOM 1245 O ASP A 76 -5.003 13.911 0.692 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.312 15.422 -1.609 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.215 16.267 -2.871 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.291 17.507 -2.740 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -4.049 15.646 -3.944 1.00 0.00 O ATOM 0 H ASP A 76 -6.207 16.448 0.272 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.257 14.779 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.839 15.951 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.759 14.493 -1.751 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.856 13.130 -0.340 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.038 11.945 0.477 1.00 0.00 C ATOM 1256 C GLU A 77 -6.284 10.796 -0.183 1.00 0.00 C ATOM 1257 O GLU A 77 -6.786 10.182 -1.125 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.537 11.655 0.632 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.771 10.321 1.350 1.00 0.00 C ATOM 1260 CD GLU A 77 -10.157 10.258 1.980 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -11.135 10.442 1.224 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -10.210 10.020 3.205 1.00 0.00 O ATOM 0 H GLU A 77 -7.588 13.250 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.638 12.086 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.010 12.461 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.009 11.630 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.655 9.501 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.013 10.185 2.122 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.073 10.517 0.310 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.251 9.438 -0.203 1.00 0.00 C ATOM 1271 C TYR A 78 -4.877 8.086 0.141 1.00 0.00 C ATOM 1272 O TYR A 78 -5.603 7.943 1.125 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.792 9.558 0.259 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.010 10.729 -0.312 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.325 12.049 0.058 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.909 10.498 -1.155 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.632 13.128 -0.516 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.195 11.583 -1.705 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.553 12.900 -1.382 1.00 0.00 C ATOM 1280 OH TYR A 78 0.139 13.946 -1.920 1.00 0.00 O ATOM 0 H TYR A 78 -4.644 11.037 1.075 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.219 9.515 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.780 9.634 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.271 8.637 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.102 12.234 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.609 9.486 -1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.932 14.140 -0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.630 11.399 -2.377 1.00 0.00 H new ATOM 0 HH TYR A 78 0.117 14.706 -1.301 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.616 7.110 -0.727 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.142 5.760 -0.659 1.00 0.00 C ATOM 1292 C ALA A 79 -4.131 4.801 -1.283 1.00 0.00 C ATOM 1293 O ALA A 79 -3.258 5.221 -2.041 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.487 5.698 -1.392 1.00 0.00 C ATOM 0 H ALA A 79 -4.004 7.252 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.306 5.469 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.883 4.684 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.190 6.386 -0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.346 5.981 -2.435 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.263 3.516 -0.951 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.413 2.432 -1.415 1.00 0.00 C ATOM 1302 C CYS A 80 -4.271 1.512 -2.281 1.00 0.00 C ATOM 1303 O CYS A 80 -5.168 0.862 -1.749 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.889 1.660 -0.194 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.979 2.623 1.041 1.00 0.00 S ATOM 0 H CYS A 80 -5.000 3.194 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.567 2.809 -1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.737 1.186 0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.240 0.860 -0.549 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.005 1.412 -3.591 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.588 0.340 -4.394 1.00 0.00 C ATOM 1312 C ARG A 81 -4.040 -0.979 -3.851 1.00 0.00 C ATOM 1313 O ARG A 81 -2.884 -1.020 -3.438 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.190 0.503 -5.868 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.720 -0.610 -6.786 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.021 -0.597 -8.149 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.484 -1.713 -8.983 1.00 0.00 N ATOM 1318 CZ ARG A 81 -3.835 -2.203 -10.051 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -2.733 -1.606 -10.525 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -4.292 -3.321 -10.631 1.00 0.00 N ATOM 0 H ARG A 81 -3.400 2.051 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.676 0.365 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.558 1.463 -6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.103 0.531 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.570 -1.578 -6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.794 -0.487 -6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.219 0.348 -8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.942 -0.664 -8.010 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.370 -2.151 -8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.374 -0.765 -10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.253 -1.993 -11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.121 -3.786 -10.260 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.811 -3.707 -11.443 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.832 -2.057 -3.860 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.314 -3.382 -3.596 1.00 0.00 C ATOM 1336 C VAL A 82 -4.920 -4.342 -4.617 1.00 0.00 C ATOM 1337 O VAL A 82 -6.120 -4.605 -4.571 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.623 -3.789 -2.148 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -3.911 -5.111 -1.877 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.163 -2.736 -1.126 1.00 0.00 C ATOM 0 H VAL A 82 -5.834 -2.026 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.229 -3.407 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.703 -3.882 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.111 -5.429 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.275 -5.869 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.837 -4.981 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.406 -3.075 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.086 -2.593 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.670 -1.792 -1.323 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.093 -4.867 -5.530 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.497 -5.888 -6.487 1.00 0.00 C ATOM 1352 C ASN A 83 -3.412 -6.964 -6.571 1.00 0.00 C ATOM 1353 O ASN A 83 -2.519 -6.877 -7.410 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.758 -5.263 -7.861 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.327 -6.298 -8.828 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -4.647 -6.724 -9.756 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -6.575 -6.711 -8.606 1.00 0.00 N ATOM 0 H ASN A 83 -3.116 -4.588 -5.621 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.426 -6.350 -6.152 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.455 -4.431 -7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.830 -4.855 -8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.999 -7.407 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.106 -6.331 -7.823 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.497 -7.992 -5.718 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.709 -9.212 -5.863 1.00 0.00 C ATOM 1366 C HIS A 84 -3.280 -9.983 -7.064 1.00 0.00 C ATOM 1367 O HIS A 84 -4.436 -9.770 -7.427 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.848 -10.036 -4.582 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.086 -11.332 -4.610 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.766 -12.543 -4.688 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.738 -11.577 -4.589 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.814 -13.474 -4.669 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.577 -12.946 -4.629 1.00 0.00 N ATOM 0 H HIS A 84 -4.117 -7.997 -4.908 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.653 -8.997 -6.027 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.502 -9.440 -3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.903 -10.249 -4.410 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.049 -10.838 -4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.013 -14.535 -4.684 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.306 -13.457 -4.628 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.506 -10.886 -7.677 1.00 0.00 N ATOM 1382 CA VAL A 85 -2.971 -11.662 -8.827 1.00 0.00 C ATOM 1383 C VAL A 85 -4.286 -12.398 -8.545 1.00 0.00 C ATOM 1384 O VAL A 85 -5.125 -12.502 -9.438 1.00 0.00 O ATOM 1385 CB VAL A 85 -1.870 -12.603 -9.349 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.515 -13.742 -8.385 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.245 -13.190 -10.716 1.00 0.00 C ATOM 0 H VAL A 85 -1.550 -11.096 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.193 -10.953 -9.625 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.983 -11.977 -9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.732 -14.360 -8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.161 -13.324 -7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.399 -14.352 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.449 -13.850 -11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.172 -13.756 -10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.381 -12.381 -11.434 1.00 0.00 H new ATOM 1397 N THR A 86 -4.479 -12.893 -7.314 1.00 0.00 N ATOM 1398 CA THR A 86 -5.688 -13.625 -6.959 1.00 0.00 C ATOM 1399 C THR A 86 -6.880 -12.693 -6.701 1.00 0.00 C ATOM 1400 O THR A 86 -8.023 -13.122 -6.851 1.00 0.00 O ATOM 1401 CB THR A 86 -5.406 -14.630 -5.832 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.207 -15.775 -6.030 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.675 -14.088 -4.429 1.00 0.00 C ATOM 0 H THR A 86 -3.808 -12.796 -6.552 1.00 0.00 H new ATOM 0 HA THR A 86 -5.997 -14.220 -7.819 1.00 0.00 H new ATOM 0 HB THR A 86 -4.341 -14.857 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.091 -15.504 -6.356 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.451 -14.859 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.043 -13.218 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.723 -13.799 -4.345 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.637 -11.420 -6.350 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.699 -10.427 -6.242 1.00 0.00 C ATOM 1413 C LEU A 87 -8.246 -10.122 -7.639 1.00 0.00 C ATOM 1414 O LEU A 87 -7.547 -9.544 -8.470 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.180 -9.140 -5.578 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.516 -9.037 -4.084 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.857 -10.145 -3.258 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.058 -7.670 -3.559 1.00 0.00 C ATOM 0 H LEU A 87 -5.707 -11.060 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.497 -10.827 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.098 -9.088 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.602 -8.279 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.595 -9.151 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.127 -10.026 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.200 -11.117 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.774 -10.082 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.294 -7.590 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.982 -7.568 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.572 -6.879 -4.105 1.00 0.00 H new ATOM 1430 N SER A 88 -9.517 -10.472 -7.874 1.00 0.00 N ATOM 1431 CA SER A 88 -10.215 -10.201 -9.127 1.00 0.00 C ATOM 1432 C SER A 88 -10.685 -8.741 -9.232 1.00 0.00 C ATOM 1433 O SER A 88 -11.434 -8.412 -10.149 1.00 0.00 O ATOM 1434 CB SER A 88 -11.406 -11.158 -9.260 1.00 0.00 C ATOM 1435 OG SER A 88 -10.979 -12.501 -9.163 1.00 0.00 O ATOM 0 H SER A 88 -10.093 -10.958 -7.187 1.00 0.00 H new ATOM 0 HA SER A 88 -9.513 -10.364 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.138 -10.946 -8.481 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.903 -10.997 -10.216 1.00 0.00 H new ATOM 0 HG SER A 88 -11.752 -13.097 -9.248 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.264 -7.867 -8.307 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.610 -6.458 -8.289 1.00 0.00 C ATOM 1443 C GLN A 89 -9.507 -5.693 -7.552 1.00 0.00 C ATOM 1444 O GLN A 89 -8.892 -6.246 -6.641 1.00 0.00 O ATOM 1445 CB GLN A 89 -11.971 -6.262 -7.609 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.016 -6.833 -6.185 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.326 -6.502 -5.477 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -13.336 -5.744 -4.510 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.434 -7.075 -5.949 1.00 0.00 N ATOM 0 H GLN A 89 -9.657 -8.139 -7.534 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.690 -6.075 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.205 -5.198 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.744 -6.739 -8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.889 -7.915 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.181 -6.434 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.382 -7.699 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.333 -6.890 -5.504 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.231 -4.434 -7.916 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.297 -3.599 -7.187 1.00 0.00 C ATOM 1460 C PRO A 90 -9.002 -3.056 -5.941 1.00 0.00 C ATOM 1461 O PRO A 90 -9.746 -2.081 -6.018 1.00 0.00 O ATOM 1462 CB PRO A 90 -7.913 -2.505 -8.184 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.171 -2.327 -9.034 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.758 -3.739 -9.080 1.00 0.00 C ATOM 0 HA PRO A 90 -7.405 -4.115 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.639 -1.580 -7.677 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.058 -2.800 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.864 -1.616 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.935 -1.955 -10.031 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.847 -3.709 -9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.474 -4.249 -10.000 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.781 -3.702 -4.790 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.421 -3.332 -3.540 1.00 0.00 C ATOM 1474 C LYS A 91 -8.663 -2.129 -2.979 1.00 0.00 C ATOM 1475 O LYS A 91 -7.602 -2.283 -2.377 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.441 -4.535 -2.578 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.494 -4.415 -1.461 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.329 -3.148 -0.614 1.00 0.00 C ATOM 1479 CE LYS A 91 -11.282 -3.117 0.584 1.00 0.00 C ATOM 1480 NZ LYS A 91 -11.137 -1.855 1.332 1.00 0.00 N ATOM 0 H LYS A 91 -8.149 -4.498 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.464 -3.051 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.632 -5.443 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.455 -4.644 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.489 -4.421 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.429 -5.289 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.301 -3.084 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.506 -2.272 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.311 -3.226 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.075 -3.961 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.071 -1.537 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.514 -2.006 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.723 -1.130 0.712 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.208 -0.926 -3.183 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.588 0.294 -2.702 1.00 0.00 C ATOM 1496 C ILE A 92 -8.791 0.393 -1.185 1.00 0.00 C ATOM 1497 O ILE A 92 -9.901 0.191 -0.690 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.150 1.528 -3.431 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.337 1.349 -4.950 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.231 2.722 -3.149 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.080 0.897 -5.696 1.00 0.00 C ATOM 0 H ILE A 92 -10.085 -0.780 -3.683 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.519 0.265 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.154 1.693 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.128 0.619 -5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.676 2.294 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.615 3.605 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.196 2.909 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.227 2.502 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.304 0.797 -6.758 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.290 1.636 -5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.749 -0.064 -5.303 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.715 0.704 -0.456 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.719 0.943 0.978 1.00 0.00 C ATOM 1515 C VAL A 93 -7.359 2.410 1.198 1.00 0.00 C ATOM 1516 O VAL A 93 -6.193 2.790 1.106 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.753 -0.023 1.686 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.716 0.255 3.195 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.209 -1.471 1.469 1.00 0.00 C ATOM 0 H VAL A 93 -6.787 0.798 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.701 0.752 1.411 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.759 0.126 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.027 -0.439 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.381 1.278 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.714 0.124 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.520 -2.149 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.211 -1.602 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.220 -1.693 0.402 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.377 3.231 1.478 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.217 4.647 1.762 1.00 0.00 C ATOM 1531 C LYS A 94 -7.505 4.807 3.106 1.00 0.00 C ATOM 1532 O LYS A 94 -7.886 4.171 4.087 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.585 5.344 1.752 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.246 5.256 0.365 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.688 5.785 0.357 1.00 0.00 C ATOM 1536 CE LYS A 94 -11.800 7.272 0.709 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.104 8.118 -0.275 1.00 0.00 N ATOM 0 H LYS A 94 -9.347 2.918 1.512 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.608 5.120 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.235 4.885 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.465 6.390 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.652 5.823 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.243 4.218 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.121 5.621 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.282 5.207 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.851 7.557 0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.379 7.444 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.187 9.116 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.100 7.851 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.533 7.985 -1.213 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.447 5.625 3.133 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.584 5.779 4.294 1.00 0.00 C ATOM 1553 C TRP A 95 -6.245 6.705 5.318 1.00 0.00 C ATOM 1554 O TRP A 95 -6.438 7.892 5.054 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.221 6.310 3.833 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.388 6.970 4.883 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.839 6.397 5.977 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.100 8.387 4.991 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.254 7.371 6.764 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.474 8.633 6.243 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.309 9.491 4.142 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.183 9.937 6.679 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.923 10.782 4.523 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.467 11.016 5.829 1.00 0.00 C ATOM 0 H TRP A 95 -6.169 6.201 2.339 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.429 4.817 4.783 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.652 5.480 3.414 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.385 7.023 3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.855 5.341 6.202 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.728 7.183 7.618 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.775 9.339 3.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.748 10.106 7.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.976 11.595 3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.334 12.029 6.180 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.560 6.164 6.501 1.00 0.00 N ATOM 1576 CA ASP A 96 -7.030 6.937 7.642 1.00 0.00 C ATOM 1577 C ASP A 96 -5.857 7.687 8.268 1.00 0.00 C ATOM 1578 O ASP A 96 -4.717 7.238 8.192 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.671 6.009 8.676 1.00 0.00 C ATOM 1580 CG ASP A 96 -6.653 5.027 9.254 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -6.355 4.041 8.546 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -6.173 5.301 10.375 1.00 0.00 O ATOM 0 H ASP A 96 -6.493 5.164 6.688 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.778 7.655 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.103 6.603 9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.489 5.457 8.213 1.00 0.00 H new ATOM 1587 N ARG A 97 -6.140 8.828 8.900 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.114 9.682 9.487 1.00 0.00 C ATOM 1589 C ARG A 97 -4.822 9.186 10.906 1.00 0.00 C ATOM 1590 O ARG A 97 -5.097 9.889 11.878 1.00 0.00 O ATOM 1591 CB ARG A 97 -5.553 11.158 9.451 1.00 0.00 C ATOM 1592 CG ARG A 97 -5.491 11.802 8.055 1.00 0.00 C ATOM 1593 CD ARG A 97 -6.325 11.055 7.009 1.00 0.00 C ATOM 1594 NE ARG A 97 -6.616 11.876 5.828 1.00 0.00 N ATOM 1595 CZ ARG A 97 -7.500 11.502 4.888 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -7.996 10.257 4.884 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -7.902 12.373 3.955 1.00 0.00 N ATOM 0 H ARG A 97 -7.089 9.183 9.017 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.192 9.626 8.908 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.573 11.231 9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.921 11.730 10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.841 12.832 8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.453 11.838 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.792 10.156 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.262 10.730 7.461 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.128 12.765 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.703 9.589 5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.667 9.978 4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.537 13.325 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.573 12.084 3.243 1.00 0.00 H new ATOM 1611 N ASP A 98 -4.269 7.968 11.002 1.00 0.00 N ATOM 1612 CA ASP A 98 -3.914 7.281 12.237 1.00 0.00 C ATOM 1613 C ASP A 98 -5.072 7.326 13.245 1.00 0.00 C ATOM 1614 O ASP A 98 -4.967 7.950 14.299 1.00 0.00 O ATOM 1615 CB ASP A 98 -2.599 7.867 12.766 1.00 0.00 C ATOM 1616 CG ASP A 98 -2.088 7.150 14.015 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -2.003 5.904 13.963 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -1.770 7.863 14.991 1.00 0.00 O ATOM 0 H ASP A 98 -4.049 7.414 10.174 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.745 6.220 12.052 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.841 7.809 11.985 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.743 8.923 12.993 1.00 0.00 H new ATOM 1623 N MET A 99 -6.188 6.680 12.885 1.00 0.00 N ATOM 1624 CA MET A 99 -7.433 6.687 13.642 1.00 0.00 C ATOM 1625 C MET A 99 -7.581 5.374 14.413 1.00 0.00 C ATOM 1626 O MET A 99 -7.899 5.455 15.620 1.00 0.00 O ATOM 1627 CB MET A 99 -8.618 6.892 12.687 1.00 0.00 C ATOM 1628 CG MET A 99 -8.537 8.213 11.909 1.00 0.00 C ATOM 1629 SD MET A 99 -8.499 9.740 12.889 1.00 0.00 S ATOM 1630 CE MET A 99 -10.148 9.701 13.639 1.00 0.00 C ATOM 1631 OXT MET A 99 -7.392 4.311 13.783 1.00 0.00 O ATOM 0 H MET A 99 -6.245 6.123 12.032 1.00 0.00 H new ATOM 0 HA MET A 99 -7.417 7.508 14.359 1.00 0.00 H new ATOM 0 HB2 MET A 99 -8.657 6.062 11.981 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.546 6.869 13.258 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.642 8.186 11.287 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.392 8.263 11.235 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.313 10.620 14.202 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.902 9.614 12.856 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.222 8.846 14.310 1.00 0.00 H new TER 1641 MET A 99