USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 821 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 19 HIS : no HE2:sc= -4 K(o=-4,f=-9.7!) USER MOD Set 1.2: A 76 GLN : amide:sc= -0.2 K(o=-4,f=-5) USER MOD Set 1.3: A 82 TYR OH : rot -21:sc= 0.199 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= 0.00446 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.0999 (180deg=-0.462) USER MOD Single : A 41 THR OG1 : rot -67:sc= 0.423 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0845 K(o=-0.085,f=-1.4) USER MOD Single : A 54 GLN : amide:sc= -0.0398 K(o=-0.04,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.021) USER MOD Single : A 58 MET CE :methyl -160:sc= -0.0848 (180deg=-0.416) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 110:sc= -0.605 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 68 GLN : amide:sc= -0.0643 K(o=-0.064,f=-0.98) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -147:sc= -2.58 (180deg=-7.2!) USER MOD Single : A 72 TYR OH : rot 8:sc= 0.152 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -57:sc= 1.02 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 88 GLN : amide:sc=-0.00121 X(o=-0.0012,f=-0.17) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.796 -24.251 -9.419 1.00 0.00 N ATOM 2 CA GLY A 1 -10.041 -22.847 -8.988 1.00 0.00 C ATOM 3 C GLY A 1 -9.891 -22.666 -7.489 1.00 0.00 C ATOM 4 O GLY A 1 -9.088 -21.852 -7.034 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.910 -24.323 -10.450 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.829 -24.531 -9.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.477 -24.882 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.344 -22.185 -9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.045 -22.548 -9.288 1.00 0.00 H new ATOM 10 N SER A 2 -10.665 -23.428 -6.722 1.00 0.00 N ATOM 11 CA SER A 2 -10.619 -23.350 -5.265 1.00 0.00 C ATOM 12 C SER A 2 -11.150 -22.007 -4.774 1.00 0.00 C ATOM 13 O SER A 2 -12.245 -21.927 -4.218 1.00 0.00 O ATOM 14 CB SER A 2 -9.189 -23.565 -4.763 1.00 0.00 C ATOM 15 OG SER A 2 -9.153 -24.519 -3.716 1.00 0.00 O ATOM 0 H SER A 2 -11.333 -24.108 -7.086 1.00 0.00 H new ATOM 0 HA SER A 2 -11.256 -24.139 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.558 -23.900 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.778 -22.619 -4.411 1.00 0.00 H new ATOM 0 HG SER A 2 -8.228 -24.639 -3.415 1.00 0.00 H new ATOM 21 N SER A 3 -10.367 -20.953 -4.985 1.00 0.00 N ATOM 22 CA SER A 3 -10.760 -19.613 -4.564 1.00 0.00 C ATOM 23 C SER A 3 -10.990 -19.561 -3.056 1.00 0.00 C ATOM 24 O SER A 3 -12.092 -19.829 -2.577 1.00 0.00 O ATOM 25 CB SER A 3 -12.027 -19.174 -5.300 1.00 0.00 C ATOM 26 OG SER A 3 -11.908 -19.397 -6.695 1.00 0.00 O ATOM 0 H SER A 3 -9.458 -21.001 -5.445 1.00 0.00 H new ATOM 0 HA SER A 3 -9.948 -18.929 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.885 -19.723 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.213 -18.117 -5.112 1.00 0.00 H new ATOM 0 HG SER A 3 -12.731 -19.110 -7.143 1.00 0.00 H new ATOM 32 N GLY A 4 -9.944 -19.213 -2.315 1.00 0.00 N ATOM 33 CA GLY A 4 -10.052 -19.132 -0.870 1.00 0.00 C ATOM 34 C GLY A 4 -8.713 -19.295 -0.178 1.00 0.00 C ATOM 35 O GLY A 4 -7.674 -19.376 -0.832 1.00 0.00 O ATOM 0 H GLY A 4 -9.023 -18.985 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.485 -18.170 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.737 -19.903 -0.516 1.00 0.00 H new ATOM 39 N SER A 5 -8.738 -19.344 1.150 1.00 0.00 N ATOM 40 CA SER A 5 -7.517 -19.498 1.932 1.00 0.00 C ATOM 41 C SER A 5 -6.558 -18.340 1.677 1.00 0.00 C ATOM 42 O SER A 5 -5.764 -18.374 0.737 1.00 0.00 O ATOM 43 CB SER A 5 -6.835 -20.825 1.594 1.00 0.00 C ATOM 44 OG SER A 5 -7.702 -21.920 1.832 1.00 0.00 O ATOM 0 H SER A 5 -9.590 -19.279 1.707 1.00 0.00 H new ATOM 0 HA SER A 5 -7.788 -19.495 2.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.526 -20.823 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.931 -20.936 2.193 1.00 0.00 H new ATOM 0 HG SER A 5 -7.243 -22.756 1.607 1.00 0.00 H new ATOM 50 N SER A 6 -6.636 -17.317 2.521 1.00 0.00 N ATOM 51 CA SER A 6 -5.775 -16.148 2.388 1.00 0.00 C ATOM 52 C SER A 6 -5.994 -15.461 1.043 1.00 0.00 C ATOM 53 O SER A 6 -6.709 -15.974 0.182 1.00 0.00 O ATOM 54 CB SER A 6 -4.306 -16.552 2.535 1.00 0.00 C ATOM 55 OG SER A 6 -3.624 -15.681 3.421 1.00 0.00 O ATOM 0 H SER A 6 -7.287 -17.274 3.305 1.00 0.00 H new ATOM 0 HA SER A 6 -6.033 -15.445 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.242 -17.575 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.821 -16.535 1.559 1.00 0.00 H new ATOM 0 HG SER A 6 -2.688 -15.961 3.499 1.00 0.00 H new ATOM 61 N GLY A 7 -5.376 -14.297 0.871 1.00 0.00 N ATOM 62 CA GLY A 7 -5.517 -13.559 -0.371 1.00 0.00 C ATOM 63 C GLY A 7 -4.776 -12.236 -0.347 1.00 0.00 C ATOM 64 O GLY A 7 -5.309 -11.211 -0.772 1.00 0.00 O ATOM 0 H GLY A 7 -4.780 -13.852 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.143 -14.166 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.574 -13.376 -0.563 1.00 0.00 H new ATOM 68 N VAL A 8 -3.544 -12.259 0.152 1.00 0.00 N ATOM 69 CA VAL A 8 -2.728 -11.053 0.230 1.00 0.00 C ATOM 70 C VAL A 8 -1.541 -11.130 -0.722 1.00 0.00 C ATOM 71 O VAL A 8 -1.190 -10.147 -1.375 1.00 0.00 O ATOM 72 CB VAL A 8 -2.209 -10.817 1.661 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.532 -9.460 1.766 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.344 -10.936 2.667 1.00 0.00 C ATOM 0 H VAL A 8 -3.089 -13.100 0.508 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.368 -10.219 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.469 -11.584 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.172 -9.311 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.691 -9.418 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.247 -8.676 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.958 -10.766 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.109 -10.193 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.779 -11.934 2.609 1.00 0.00 H new ATOM 84 N SER A 9 -0.925 -12.305 -0.799 1.00 0.00 N ATOM 85 CA SER A 9 0.223 -12.511 -1.673 1.00 0.00 C ATOM 86 C SER A 9 -0.219 -12.672 -3.124 1.00 0.00 C ATOM 87 O SER A 9 0.500 -12.291 -4.047 1.00 0.00 O ATOM 88 CB SER A 9 1.014 -13.743 -1.229 1.00 0.00 C ATOM 89 OG SER A 9 1.456 -13.610 0.111 1.00 0.00 O ATOM 0 H SER A 9 -1.202 -13.129 -0.266 1.00 0.00 H new ATOM 0 HA SER A 9 0.863 -11.632 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.391 -14.632 -1.323 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.872 -13.884 -1.886 1.00 0.00 H new ATOM 0 HG SER A 9 1.957 -14.411 0.371 1.00 0.00 H new ATOM 95 N GLN A 10 -1.405 -13.238 -3.316 1.00 0.00 N ATOM 96 CA GLN A 10 -1.944 -13.449 -4.655 1.00 0.00 C ATOM 97 C GLN A 10 -2.261 -12.119 -5.330 1.00 0.00 C ATOM 98 O GLN A 10 -2.129 -11.981 -6.547 1.00 0.00 O ATOM 99 CB GLN A 10 -3.204 -14.314 -4.590 1.00 0.00 C ATOM 100 CG GLN A 10 -2.930 -15.800 -4.756 1.00 0.00 C ATOM 101 CD GLN A 10 -4.113 -16.550 -5.335 1.00 0.00 C ATOM 102 OE1 GLN A 10 -4.304 -16.588 -6.551 1.00 0.00 O ATOM 103 NE2 GLN A 10 -4.916 -17.152 -4.465 1.00 0.00 N ATOM 0 H GLN A 10 -2.012 -13.559 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.188 -13.965 -5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.699 -14.149 -3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.897 -13.992 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.065 -15.936 -5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.672 -16.228 -3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.720 -17.095 -3.466 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.729 -17.672 -4.796 1.00 0.00 H new ATOM 112 N ARG A 11 -2.681 -11.141 -4.534 1.00 0.00 N ATOM 113 CA ARG A 11 -3.017 -9.822 -5.053 1.00 0.00 C ATOM 114 C ARG A 11 -1.763 -9.081 -5.510 1.00 0.00 C ATOM 115 O ARG A 11 -0.668 -9.324 -5.001 1.00 0.00 O ATOM 116 CB ARG A 11 -3.749 -9.003 -3.990 1.00 0.00 C ATOM 117 CG ARG A 11 -5.089 -9.594 -3.583 1.00 0.00 C ATOM 118 CD ARG A 11 -6.085 -9.568 -4.732 1.00 0.00 C ATOM 119 NE ARG A 11 -6.783 -10.842 -4.880 1.00 0.00 N ATOM 120 CZ ARG A 11 -7.424 -11.213 -5.987 1.00 0.00 C ATOM 121 NH1 ARG A 11 -7.455 -10.410 -7.044 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.033 -12.389 -6.037 1.00 0.00 N ATOM 0 H ARG A 11 -2.797 -11.238 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.673 -9.954 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.115 -8.919 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.906 -7.992 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.947 -10.621 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.492 -9.035 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.812 -8.774 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.563 -9.331 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.779 -11.486 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.987 -9.505 -7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.947 -10.699 -7.889 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.011 -13.010 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.524 -12.673 -6.885 1.00 0.00 H new ATOM 136 N PRO A 12 -1.906 -8.161 -6.480 1.00 0.00 N ATOM 137 CA PRO A 12 -0.780 -7.383 -7.004 1.00 0.00 C ATOM 138 C PRO A 12 0.031 -6.718 -5.896 1.00 0.00 C ATOM 139 O PRO A 12 -0.338 -6.775 -4.724 1.00 0.00 O ATOM 140 CB PRO A 12 -1.455 -6.326 -7.880 1.00 0.00 C ATOM 141 CG PRO A 12 -2.742 -6.948 -8.295 1.00 0.00 C ATOM 142 CD PRO A 12 -3.177 -7.809 -7.141 1.00 0.00 C ATOM 0 HA PRO A 12 -0.068 -8.009 -7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.622 -5.401 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.839 -6.075 -8.744 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.490 -6.187 -8.517 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.614 -7.543 -9.199 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.845 -7.271 -6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.713 -8.696 -7.480 1.00 0.00 H new ATOM 150 N PHE A 13 1.137 -6.086 -6.277 1.00 0.00 N ATOM 151 CA PHE A 13 2.001 -5.411 -5.316 1.00 0.00 C ATOM 152 C PHE A 13 1.507 -3.994 -5.044 1.00 0.00 C ATOM 153 O PHE A 13 1.649 -3.478 -3.935 1.00 0.00 O ATOM 154 CB PHE A 13 3.441 -5.371 -5.832 1.00 0.00 C ATOM 155 CG PHE A 13 4.425 -4.845 -4.826 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.798 -5.614 -3.736 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.975 -3.582 -4.972 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.704 -5.133 -2.810 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.880 -3.095 -4.047 1.00 0.00 C ATOM 160 CZ PHE A 13 6.245 -3.872 -2.965 1.00 0.00 C ATOM 0 H PHE A 13 1.455 -6.028 -7.244 1.00 0.00 H new ATOM 0 HA PHE A 13 1.973 -5.973 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.740 -6.376 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.481 -4.749 -6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.376 -6.600 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.694 -2.971 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.989 -5.743 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.301 -2.108 -4.170 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.952 -3.494 -2.242 1.00 0.00 H new ATOM 170 N ARG A 14 0.927 -3.368 -6.064 1.00 0.00 N ATOM 171 CA ARG A 14 0.412 -2.010 -5.935 1.00 0.00 C ATOM 172 C ARG A 14 -0.810 -1.977 -5.021 1.00 0.00 C ATOM 173 O ARG A 14 -1.053 -0.988 -4.328 1.00 0.00 O ATOM 174 CB ARG A 14 0.052 -1.447 -7.311 1.00 0.00 C ATOM 175 CG ARG A 14 0.648 -0.074 -7.582 1.00 0.00 C ATOM 176 CD ARG A 14 0.792 0.187 -9.072 1.00 0.00 C ATOM 177 NE ARG A 14 1.091 1.589 -9.356 1.00 0.00 N ATOM 178 CZ ARG A 14 0.183 2.561 -9.329 1.00 0.00 C ATOM 179 NH1 ARG A 14 -1.083 2.290 -9.033 1.00 0.00 N ATOM 180 NH2 ARG A 14 0.541 3.808 -9.599 1.00 0.00 N ATOM 0 H ARG A 14 0.802 -3.780 -6.989 1.00 0.00 H new ATOM 0 HA ARG A 14 1.192 -1.391 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.394 -2.141 -8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.033 -1.386 -7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.014 0.693 -7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.624 0.001 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.586 -0.442 -9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.129 -0.097 -9.581 1.00 0.00 H new ATOM 0 HE ARG A 14 2.053 1.837 -9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.364 1.332 -8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.774 3.040 -9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.512 4.022 -9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.154 4.554 -9.579 1.00 0.00 H new ATOM 194 N ASP A 15 -1.575 -3.064 -5.024 1.00 0.00 N ATOM 195 CA ASP A 15 -2.770 -3.159 -4.195 1.00 0.00 C ATOM 196 C ASP A 15 -2.403 -3.384 -2.732 1.00 0.00 C ATOM 197 O ASP A 15 -3.082 -2.895 -1.829 1.00 0.00 O ATOM 198 CB ASP A 15 -3.669 -4.296 -4.689 1.00 0.00 C ATOM 199 CG ASP A 15 -5.139 -3.930 -4.646 1.00 0.00 C ATOM 200 OD1 ASP A 15 -5.527 -3.127 -3.771 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.904 -4.446 -5.488 1.00 0.00 O ATOM 0 H ASP A 15 -1.388 -3.891 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.311 -2.216 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.392 -4.557 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.500 -5.182 -4.077 1.00 0.00 H new ATOM 206 N ARG A 16 -1.323 -4.126 -2.506 1.00 0.00 N ATOM 207 CA ARG A 16 -0.864 -4.414 -1.152 1.00 0.00 C ATOM 208 C ARG A 16 -0.530 -3.127 -0.405 1.00 0.00 C ATOM 209 O ARG A 16 -0.958 -2.928 0.732 1.00 0.00 O ATOM 210 CB ARG A 16 0.361 -5.329 -1.191 1.00 0.00 C ATOM 211 CG ARG A 16 0.014 -6.810 -1.159 1.00 0.00 C ATOM 212 CD ARG A 16 0.879 -7.612 -2.121 1.00 0.00 C ATOM 213 NE ARG A 16 1.782 -8.519 -1.419 1.00 0.00 N ATOM 214 CZ ARG A 16 2.925 -8.137 -0.854 1.00 0.00 C ATOM 215 NH1 ARG A 16 3.307 -6.866 -0.906 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.688 -9.026 -0.235 1.00 0.00 N ATOM 0 H ARG A 16 -0.750 -4.538 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.670 -4.921 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.934 -5.118 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.005 -5.097 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.145 -7.193 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.037 -6.943 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.239 -8.185 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.460 -6.929 -2.741 1.00 0.00 H new ATOM 0 HE ARG A 16 1.522 -9.503 -1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.723 -6.177 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.184 -6.579 -0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.399 -10.003 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.564 -8.733 0.198 1.00 0.00 H new ATOM 230 N VAL A 17 0.236 -2.255 -1.052 1.00 0.00 N ATOM 231 CA VAL A 17 0.627 -0.987 -0.450 1.00 0.00 C ATOM 232 C VAL A 17 -0.538 -0.002 -0.440 1.00 0.00 C ATOM 233 O VAL A 17 -0.722 0.746 0.520 1.00 0.00 O ATOM 234 CB VAL A 17 1.814 -0.351 -1.199 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.333 0.863 -0.445 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.921 -1.373 -1.407 1.00 0.00 C ATOM 0 H VAL A 17 0.598 -2.404 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 17 0.928 -1.203 0.575 1.00 0.00 H new ATOM 0 HB VAL A 17 1.468 -0.019 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.171 1.298 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.537 1.602 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.664 0.560 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.751 -0.907 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.267 -1.737 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.539 -2.209 -1.993 1.00 0.00 H new ATOM 246 N LEU A 18 -1.321 -0.008 -1.514 1.00 0.00 N ATOM 247 CA LEU A 18 -2.470 0.884 -1.629 1.00 0.00 C ATOM 248 C LEU A 18 -3.459 0.648 -0.491 1.00 0.00 C ATOM 249 O LEU A 18 -4.169 1.563 -0.074 1.00 0.00 O ATOM 250 CB LEU A 18 -3.165 0.681 -2.977 1.00 0.00 C ATOM 251 CG LEU A 18 -4.426 1.520 -3.189 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.068 2.891 -3.743 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.391 0.802 -4.120 1.00 0.00 C ATOM 0 H LEU A 18 -1.181 -0.621 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.110 1.911 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.456 0.911 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.427 -0.372 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.916 1.658 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.978 3.474 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.414 3.408 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.556 2.775 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.283 1.412 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.910 0.635 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.672 -0.157 -3.684 1.00 0.00 H new ATOM 265 N HIS A 19 -3.502 -0.584 0.005 1.00 0.00 N ATOM 266 CA HIS A 19 -4.406 -0.939 1.094 1.00 0.00 C ATOM 267 C HIS A 19 -3.767 -0.653 2.449 1.00 0.00 C ATOM 268 O HIS A 19 -4.454 -0.311 3.411 1.00 0.00 O ATOM 269 CB HIS A 19 -4.793 -2.415 1.001 1.00 0.00 C ATOM 270 CG HIS A 19 -6.008 -2.662 0.162 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.974 -2.864 -1.199 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.316 -2.739 0.519 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.233 -3.052 -1.620 1.00 0.00 C ATOM 274 NE2 HIS A 19 -8.085 -2.985 -0.615 1.00 0.00 N ATOM 0 H HIS A 19 -2.922 -1.353 -0.329 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.304 -0.328 1.001 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.955 -2.977 0.588 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.970 -2.800 2.005 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.139 -2.870 -1.784 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.699 -2.627 1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.513 -3.234 -2.647 1.00 0.00 H new ATOM 282 N LEU A 20 -2.447 -0.797 2.519 1.00 0.00 N ATOM 283 CA LEU A 20 -1.715 -0.554 3.757 1.00 0.00 C ATOM 284 C LEU A 20 -1.743 0.927 4.124 1.00 0.00 C ATOM 285 O LEU A 20 -2.178 1.297 5.215 1.00 0.00 O ATOM 286 CB LEU A 20 -0.268 -1.032 3.620 1.00 0.00 C ATOM 287 CG LEU A 20 0.011 -2.423 4.191 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.202 -3.059 3.492 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.252 -2.343 5.692 1.00 0.00 C ATOM 0 H LEU A 20 -1.863 -1.081 1.733 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.201 -1.116 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.001 -1.029 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.384 -0.314 4.117 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.864 -3.049 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.385 -4.048 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.992 -3.150 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.084 -2.435 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.449 -3.341 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.110 -1.700 5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.630 -1.930 6.181 1.00 0.00 H new ATOM 301 N LEU A 21 -1.273 1.768 3.209 1.00 0.00 N ATOM 302 CA LEU A 21 -1.242 3.208 3.437 1.00 0.00 C ATOM 303 C LEU A 21 -2.641 3.749 3.714 1.00 0.00 C ATOM 304 O LEU A 21 -2.806 4.728 4.443 1.00 0.00 O ATOM 305 CB LEU A 21 -0.637 3.924 2.228 1.00 0.00 C ATOM 306 CG LEU A 21 0.707 3.369 1.753 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.246 4.196 0.595 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.706 3.341 2.900 1.00 0.00 C ATOM 0 H LEU A 21 -0.908 1.477 2.302 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.621 3.397 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.346 3.873 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.511 4.978 2.475 1.00 0.00 H new ATOM 0 HG LEU A 21 0.555 2.348 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.203 3.787 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.538 4.166 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.384 5.228 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.657 2.943 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.854 4.352 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.324 2.707 3.700 1.00 0.00 H new ATOM 320 N ALA A 22 -3.646 3.107 3.128 1.00 0.00 N ATOM 321 CA ALA A 22 -5.031 3.525 3.312 1.00 0.00 C ATOM 322 C ALA A 22 -5.425 3.488 4.784 1.00 0.00 C ATOM 323 O ALA A 22 -6.237 4.293 5.241 1.00 0.00 O ATOM 324 CB ALA A 22 -5.961 2.645 2.491 1.00 0.00 C ATOM 0 H ALA A 22 -3.527 2.295 2.522 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.123 4.554 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.992 2.968 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.702 2.727 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.857 1.608 2.811 1.00 0.00 H new ATOM 330 N LEU A 23 -4.847 2.547 5.524 1.00 0.00 N ATOM 331 CA LEU A 23 -5.139 2.404 6.945 1.00 0.00 C ATOM 332 C LEU A 23 -4.432 3.483 7.759 1.00 0.00 C ATOM 333 O LEU A 23 -5.066 4.227 8.506 1.00 0.00 O ATOM 334 CB LEU A 23 -4.717 1.018 7.437 1.00 0.00 C ATOM 335 CG LEU A 23 -5.688 -0.113 7.097 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.171 -1.439 7.631 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.070 0.187 7.657 1.00 0.00 C ATOM 0 H LEU A 23 -4.173 1.872 5.162 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.214 2.519 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.742 0.780 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.592 1.056 8.519 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.765 -0.187 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.875 -2.232 7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.202 -1.659 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.065 -1.378 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.749 -0.628 7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.009 0.288 8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.443 1.116 7.226 1.00 0.00 H new ATOM 349 N ARG A 24 -3.113 3.562 7.608 1.00 0.00 N ATOM 350 CA ARG A 24 -2.320 4.551 8.330 1.00 0.00 C ATOM 351 C ARG A 24 -0.977 4.781 7.641 1.00 0.00 C ATOM 352 O ARG A 24 -0.512 3.941 6.872 1.00 0.00 O ATOM 353 CB ARG A 24 -2.095 4.099 9.774 1.00 0.00 C ATOM 354 CG ARG A 24 -1.623 2.658 9.893 1.00 0.00 C ATOM 355 CD ARG A 24 -0.329 2.556 10.684 1.00 0.00 C ATOM 356 NE ARG A 24 -0.490 3.019 12.061 1.00 0.00 N ATOM 357 CZ ARG A 24 -1.059 2.297 13.024 1.00 0.00 C ATOM 358 NH1 ARG A 24 -1.520 1.079 12.765 1.00 0.00 N ATOM 359 NH2 ARG A 24 -1.166 2.793 14.249 1.00 0.00 N ATOM 0 H ARG A 24 -2.572 2.954 6.993 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.872 5.491 8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.359 4.754 10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.024 4.216 10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.395 2.061 10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.475 2.240 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.013 1.521 10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.444 3.146 10.191 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.146 3.950 12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.439 0.692 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.955 0.530 13.506 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.812 3.728 14.453 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.602 2.240 14.987 1.00 0.00 H new ATOM 373 N PRO A 25 -0.333 5.931 7.913 1.00 0.00 N ATOM 374 CA PRO A 25 0.963 6.269 7.316 1.00 0.00 C ATOM 375 C PRO A 25 2.020 5.204 7.589 1.00 0.00 C ATOM 376 O PRO A 25 2.251 4.824 8.737 1.00 0.00 O ATOM 377 CB PRO A 25 1.345 7.586 7.999 1.00 0.00 C ATOM 378 CG PRO A 25 0.054 8.161 8.472 1.00 0.00 C ATOM 379 CD PRO A 25 -0.816 6.987 8.819 1.00 0.00 C ATOM 0 HA PRO A 25 0.901 6.342 6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.030 7.416 8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.847 8.260 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.207 8.804 9.339 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.408 8.774 7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.708 6.701 9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.871 7.206 8.656 1.00 0.00 H new ATOM 387 N TYR A 26 2.659 4.724 6.527 1.00 0.00 N ATOM 388 CA TYR A 26 3.692 3.702 6.652 1.00 0.00 C ATOM 389 C TYR A 26 4.985 4.148 5.978 1.00 0.00 C ATOM 390 O TYR A 26 5.011 4.409 4.775 1.00 0.00 O ATOM 391 CB TYR A 26 3.212 2.385 6.040 1.00 0.00 C ATOM 392 CG TYR A 26 2.517 1.475 7.029 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.214 0.906 8.087 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.165 1.185 6.902 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.582 0.073 8.991 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.526 0.355 7.803 1.00 0.00 C ATOM 397 CZ TYR A 26 1.239 -0.198 8.845 1.00 0.00 C ATOM 398 OH TYR A 26 0.606 -1.026 9.744 1.00 0.00 O ATOM 0 H TYR A 26 2.479 5.027 5.570 1.00 0.00 H new ATOM 0 HA TYR A 26 3.891 3.551 7.713 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.530 2.603 5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.066 1.859 5.614 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.266 1.118 8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.604 1.615 6.086 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.138 -0.363 9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.527 0.141 7.691 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.339 -1.113 9.500 1.00 0.00 H new ATOM 408 N ARG A 27 6.055 4.234 6.760 1.00 0.00 N ATOM 409 CA ARG A 27 7.352 4.650 6.239 1.00 0.00 C ATOM 410 C ARG A 27 7.920 3.596 5.295 1.00 0.00 C ATOM 411 O ARG A 27 7.319 2.543 5.090 1.00 0.00 O ATOM 412 CB ARG A 27 8.330 4.902 7.387 1.00 0.00 C ATOM 413 CG ARG A 27 7.793 5.855 8.444 1.00 0.00 C ATOM 414 CD ARG A 27 8.471 5.637 9.787 1.00 0.00 C ATOM 415 NE ARG A 27 8.172 6.709 10.733 1.00 0.00 N ATOM 416 CZ ARG A 27 8.329 6.602 12.050 1.00 0.00 C ATOM 417 NH1 ARG A 27 8.782 5.473 12.581 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.032 7.625 12.838 1.00 0.00 N ATOM 0 H ARG A 27 6.050 4.021 7.758 1.00 0.00 H new ATOM 0 HA ARG A 27 7.212 5.576 5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.577 3.951 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.257 5.307 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.948 6.884 8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.718 5.713 8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.148 4.684 10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.549 5.572 9.642 1.00 0.00 H new ATOM 0 HE ARG A 27 7.822 7.592 10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.012 4.682 11.979 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.901 5.396 13.591 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.683 8.495 12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.152 7.543 13.848 1.00 0.00 H new ATOM 432 N LYS A 28 9.083 3.889 4.722 1.00 0.00 N ATOM 433 CA LYS A 28 9.734 2.966 3.799 1.00 0.00 C ATOM 434 C LYS A 28 10.173 1.695 4.519 1.00 0.00 C ATOM 435 O LYS A 28 9.888 0.585 4.069 1.00 0.00 O ATOM 436 CB LYS A 28 10.941 3.639 3.139 1.00 0.00 C ATOM 437 CG LYS A 28 10.711 4.009 1.683 1.00 0.00 C ATOM 438 CD LYS A 28 11.323 2.983 0.743 1.00 0.00 C ATOM 439 CE LYS A 28 12.802 3.252 0.514 1.00 0.00 C ATOM 440 NZ LYS A 28 13.502 2.064 -0.048 1.00 0.00 N ATOM 0 H LYS A 28 9.594 4.758 4.880 1.00 0.00 H new ATOM 0 HA LYS A 28 9.014 2.693 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.195 4.540 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.800 2.971 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.641 4.087 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.143 4.990 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.194 1.984 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.796 3.002 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.916 4.096 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.269 3.537 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.310 1.818 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.843 1.260 -0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.842 2.283 -1.006 1.00 0.00 H new ATOM 454 N ALA A 29 10.865 1.865 5.641 1.00 0.00 N ATOM 455 CA ALA A 29 11.341 0.732 6.423 1.00 0.00 C ATOM 456 C ALA A 29 10.185 0.011 7.106 1.00 0.00 C ATOM 457 O ALA A 29 10.128 -1.219 7.119 1.00 0.00 O ATOM 458 CB ALA A 29 12.359 1.195 7.456 1.00 0.00 C ATOM 0 H ALA A 29 11.108 2.777 6.028 1.00 0.00 H new ATOM 0 HA ALA A 29 11.822 0.029 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.707 0.338 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.206 1.659 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.895 1.919 8.125 1.00 0.00 H new ATOM 464 N GLU A 30 9.262 0.783 7.670 1.00 0.00 N ATOM 465 CA GLU A 30 8.105 0.217 8.354 1.00 0.00 C ATOM 466 C GLU A 30 7.234 -0.574 7.383 1.00 0.00 C ATOM 467 O GLU A 30 6.712 -1.635 7.726 1.00 0.00 O ATOM 468 CB GLU A 30 7.282 1.327 9.013 1.00 0.00 C ATOM 469 CG GLU A 30 7.569 1.497 10.496 1.00 0.00 C ATOM 470 CD GLU A 30 6.516 2.330 11.201 1.00 0.00 C ATOM 471 OE1 GLU A 30 6.331 3.504 10.817 1.00 0.00 O ATOM 472 OE2 GLU A 30 5.875 1.807 12.137 1.00 0.00 O ATOM 0 H GLU A 30 9.293 1.803 7.667 1.00 0.00 H new ATOM 0 HA GLU A 30 8.465 -0.463 9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.482 2.269 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.222 1.111 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.626 0.515 10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.544 1.968 10.622 1.00 0.00 H new ATOM 479 N LEU A 31 7.079 -0.049 6.172 1.00 0.00 N ATOM 480 CA LEU A 31 6.271 -0.707 5.152 1.00 0.00 C ATOM 481 C LEU A 31 6.997 -1.920 4.580 1.00 0.00 C ATOM 482 O LEU A 31 6.382 -2.951 4.304 1.00 0.00 O ATOM 483 CB LEU A 31 5.933 0.275 4.028 1.00 0.00 C ATOM 484 CG LEU A 31 4.900 -0.228 3.019 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.524 -0.320 3.663 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.860 0.683 1.801 1.00 0.00 C ATOM 0 H LEU A 31 7.502 0.830 5.873 1.00 0.00 H new ATOM 0 HA LEU A 31 5.347 -1.047 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.564 1.200 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.850 0.522 3.494 1.00 0.00 H new ATOM 0 HG LEU A 31 5.193 -1.226 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.802 -0.680 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.562 -1.012 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.221 0.666 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.120 0.311 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.591 1.693 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.841 0.699 1.326 1.00 0.00 H new ATOM 498 N LEU A 32 8.308 -1.792 4.405 1.00 0.00 N ATOM 499 CA LEU A 32 9.118 -2.879 3.866 1.00 0.00 C ATOM 500 C LEU A 32 9.054 -4.105 4.771 1.00 0.00 C ATOM 501 O LEU A 32 8.927 -5.234 4.296 1.00 0.00 O ATOM 502 CB LEU A 32 10.570 -2.428 3.700 1.00 0.00 C ATOM 503 CG LEU A 32 10.829 -1.501 2.510 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.026 -0.605 2.783 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.045 -2.313 1.242 1.00 0.00 C ATOM 0 H LEU A 32 8.833 -0.946 4.629 1.00 0.00 H new ATOM 0 HA LEU A 32 8.716 -3.149 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.883 -1.919 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.199 -3.312 3.596 1.00 0.00 H new ATOM 0 HG LEU A 32 9.953 -0.868 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.195 0.047 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.832 0.001 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.910 -1.220 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.228 -1.639 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.904 -2.970 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.158 -2.912 1.038 1.00 0.00 H new ATOM 517 N LEU A 33 9.143 -3.876 6.078 1.00 0.00 N ATOM 518 CA LEU A 33 9.096 -4.962 7.049 1.00 0.00 C ATOM 519 C LEU A 33 7.727 -5.636 7.047 1.00 0.00 C ATOM 520 O LEU A 33 7.626 -6.860 7.128 1.00 0.00 O ATOM 521 CB LEU A 33 9.416 -4.436 8.450 1.00 0.00 C ATOM 522 CG LEU A 33 10.880 -4.058 8.681 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.992 -2.982 9.750 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.690 -5.285 9.072 1.00 0.00 C ATOM 0 H LEU A 33 9.248 -2.948 6.488 1.00 0.00 H new ATOM 0 HA LEU A 33 9.845 -5.701 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.796 -3.561 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.133 -5.195 9.180 1.00 0.00 H new ATOM 0 HG LEU A 33 11.284 -3.660 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.041 -2.726 9.900 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.444 -2.095 9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.571 -3.353 10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.729 -4.999 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.285 -5.711 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.637 -6.026 8.274 1.00 0.00 H new ATOM 536 N ARG A 34 6.676 -4.827 6.956 1.00 0.00 N ATOM 537 CA ARG A 34 5.313 -5.344 6.944 1.00 0.00 C ATOM 538 C ARG A 34 5.074 -6.223 5.720 1.00 0.00 C ATOM 539 O ARG A 34 4.409 -7.255 5.804 1.00 0.00 O ATOM 540 CB ARG A 34 4.308 -4.189 6.963 1.00 0.00 C ATOM 541 CG ARG A 34 3.176 -4.384 7.960 1.00 0.00 C ATOM 542 CD ARG A 34 2.257 -5.524 7.548 1.00 0.00 C ATOM 543 NE ARG A 34 0.892 -5.064 7.306 1.00 0.00 N ATOM 544 CZ ARG A 34 -0.015 -5.762 6.624 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.295 -6.949 6.117 1.00 0.00 N ATOM 546 NH2 ARG A 34 -1.234 -5.270 6.448 1.00 0.00 N ATOM 0 H ARG A 34 6.743 -3.811 6.890 1.00 0.00 H new ATOM 0 HA ARG A 34 5.174 -5.953 7.837 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.834 -3.264 7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.886 -4.069 5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.591 -4.589 8.947 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.600 -3.463 8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.646 -5.996 6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.251 -6.285 8.328 1.00 0.00 H new ATOM 0 HE ARG A 34 0.617 -4.156 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.232 -7.331 6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.403 -7.479 5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.477 -4.358 6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.929 -5.804 5.926 1.00 0.00 H new ATOM 560 N LEU A 35 5.624 -5.808 4.583 1.00 0.00 N ATOM 561 CA LEU A 35 5.473 -6.557 3.342 1.00 0.00 C ATOM 562 C LEU A 35 6.304 -7.835 3.371 1.00 0.00 C ATOM 563 O LEU A 35 5.935 -8.842 2.770 1.00 0.00 O ATOM 564 CB LEU A 35 5.885 -5.694 2.148 1.00 0.00 C ATOM 565 CG LEU A 35 5.030 -4.445 1.926 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.677 -3.531 0.897 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.625 -4.833 1.489 1.00 0.00 C ATOM 0 H LEU A 35 6.179 -4.956 4.496 1.00 0.00 H new ATOM 0 HA LEU A 35 4.423 -6.831 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.922 -5.387 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.848 -6.306 1.247 1.00 0.00 H new ATOM 0 HG LEU A 35 4.960 -3.903 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.055 -2.648 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.663 -3.227 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.778 -4.063 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.030 -3.933 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.676 -5.397 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.161 -5.447 2.260 1.00 0.00 H new ATOM 579 N GLN A 36 7.431 -7.785 4.076 1.00 0.00 N ATOM 580 CA GLN A 36 8.315 -8.940 4.184 1.00 0.00 C ATOM 581 C GLN A 36 7.592 -10.123 4.820 1.00 0.00 C ATOM 582 O GLN A 36 7.879 -11.278 4.508 1.00 0.00 O ATOM 583 CB GLN A 36 9.557 -8.582 5.005 1.00 0.00 C ATOM 584 CG GLN A 36 10.858 -9.048 4.373 1.00 0.00 C ATOM 585 CD GLN A 36 11.722 -9.847 5.330 1.00 0.00 C ATOM 586 OE1 GLN A 36 11.717 -11.078 5.308 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.467 -9.147 6.178 1.00 0.00 N ATOM 0 H GLN A 36 7.753 -6.958 4.580 1.00 0.00 H new ATOM 0 HA GLN A 36 8.623 -9.226 3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.595 -7.501 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.466 -9.023 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.634 -9.658 3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.418 -8.181 4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.439 -8.128 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.067 -9.629 6.847 1.00 0.00 H new ATOM 596 N LYS A 37 6.651 -9.826 5.710 1.00 0.00 N ATOM 597 CA LYS A 37 5.887 -10.867 6.390 1.00 0.00 C ATOM 598 C LYS A 37 5.115 -11.716 5.385 1.00 0.00 C ATOM 599 O LYS A 37 4.887 -12.904 5.608 1.00 0.00 O ATOM 600 CB LYS A 37 4.920 -10.243 7.397 1.00 0.00 C ATOM 601 CG LYS A 37 5.532 -10.024 8.772 1.00 0.00 C ATOM 602 CD LYS A 37 4.490 -10.146 9.872 1.00 0.00 C ATOM 603 CE LYS A 37 5.019 -9.630 11.199 1.00 0.00 C ATOM 604 NZ LYS A 37 5.318 -8.172 11.149 1.00 0.00 N ATOM 0 H LYS A 37 6.399 -8.874 5.977 1.00 0.00 H new ATOM 0 HA LYS A 37 6.588 -11.511 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.570 -9.287 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.046 -10.886 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.325 -10.753 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.992 -9.037 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.597 -9.587 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.192 -11.189 9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.286 -9.823 11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.923 -10.177 11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.329 -7.787 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.247 -8.023 10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.587 -7.687 10.591 1.00 0.00 H new ATOM 618 N ASP A 38 4.716 -11.098 4.278 1.00 0.00 N ATOM 619 CA ASP A 38 3.970 -11.798 3.239 1.00 0.00 C ATOM 620 C ASP A 38 4.917 -12.451 2.236 1.00 0.00 C ATOM 621 O ASP A 38 4.968 -13.675 2.123 1.00 0.00 O ATOM 622 CB ASP A 38 3.030 -10.830 2.516 1.00 0.00 C ATOM 623 CG ASP A 38 1.604 -10.922 3.022 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.407 -10.891 4.255 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.683 -11.029 2.184 1.00 0.00 O ATOM 0 H ASP A 38 4.897 -10.114 4.078 1.00 0.00 H new ATOM 0 HA ASP A 38 3.378 -12.580 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.393 -9.811 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.048 -11.041 1.447 1.00 0.00 H new ATOM 630 N GLY A 39 5.665 -11.625 1.512 1.00 0.00 N ATOM 631 CA GLY A 39 6.600 -12.143 0.529 1.00 0.00 C ATOM 632 C GLY A 39 7.344 -11.041 -0.200 1.00 0.00 C ATOM 633 O GLY A 39 7.161 -10.849 -1.402 1.00 0.00 O ATOM 0 H GLY A 39 5.641 -10.608 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.318 -12.796 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.060 -12.753 -0.195 1.00 0.00 H new ATOM 637 N LEU A 40 8.185 -10.315 0.529 1.00 0.00 N ATOM 638 CA LEU A 40 8.961 -9.227 -0.056 1.00 0.00 C ATOM 639 C LEU A 40 10.239 -9.755 -0.700 1.00 0.00 C ATOM 640 O LEU A 40 10.720 -10.833 -0.353 1.00 0.00 O ATOM 641 CB LEU A 40 9.306 -8.188 1.013 1.00 0.00 C ATOM 642 CG LEU A 40 9.929 -6.895 0.481 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.906 -6.094 -0.308 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.490 -6.067 1.627 1.00 0.00 C ATOM 0 H LEU A 40 8.347 -10.460 1.526 1.00 0.00 H new ATOM 0 HA LEU A 40 8.354 -8.756 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.398 -7.937 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.995 -8.639 1.727 1.00 0.00 H new ATOM 0 HG LEU A 40 10.748 -7.156 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.368 -5.178 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.551 -6.687 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.065 -5.841 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.930 -5.151 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.688 -5.815 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.255 -6.641 2.150 1.00 0.00 H new ATOM 656 N THR A 41 10.783 -8.988 -1.639 1.00 0.00 N ATOM 657 CA THR A 41 12.005 -9.379 -2.331 1.00 0.00 C ATOM 658 C THR A 41 12.776 -8.152 -2.809 1.00 0.00 C ATOM 659 O THR A 41 12.307 -7.021 -2.676 1.00 0.00 O ATOM 660 CB THR A 41 11.676 -10.284 -3.520 1.00 0.00 C ATOM 661 OG1 THR A 41 10.853 -9.606 -4.453 1.00 0.00 O ATOM 662 CG2 THR A 41 10.966 -11.559 -3.122 1.00 0.00 C ATOM 0 H THR A 41 10.397 -8.092 -1.938 1.00 0.00 H new ATOM 0 HA THR A 41 12.631 -9.928 -1.628 1.00 0.00 H new ATOM 0 HB THR A 41 12.638 -10.546 -3.960 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.976 -9.433 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.762 -12.155 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.597 -12.129 -2.440 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.027 -11.313 -2.627 1.00 0.00 H new ATOM 670 N GLN A 42 13.961 -8.384 -3.364 1.00 0.00 N ATOM 671 CA GLN A 42 14.796 -7.298 -3.862 1.00 0.00 C ATOM 672 C GLN A 42 14.078 -6.515 -4.956 1.00 0.00 C ATOM 673 O GLN A 42 14.230 -5.298 -5.065 1.00 0.00 O ATOM 674 CB GLN A 42 16.118 -7.849 -4.399 1.00 0.00 C ATOM 675 CG GLN A 42 17.124 -8.189 -3.310 1.00 0.00 C ATOM 676 CD GLN A 42 18.220 -7.149 -3.183 1.00 0.00 C ATOM 677 OE1 GLN A 42 19.335 -7.344 -3.665 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.906 -6.036 -2.529 1.00 0.00 N ATOM 0 H GLN A 42 14.364 -9.314 -3.480 1.00 0.00 H new ATOM 0 HA GLN A 42 15.001 -6.622 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.916 -8.744 -4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.560 -7.116 -5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.604 -8.282 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.572 -9.159 -3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.968 -5.917 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.603 -5.300 -2.410 1.00 0.00 H new ATOM 687 N ALA A 43 13.294 -7.222 -5.764 1.00 0.00 N ATOM 688 CA ALA A 43 12.552 -6.595 -6.851 1.00 0.00 C ATOM 689 C ALA A 43 11.433 -5.709 -6.311 1.00 0.00 C ATOM 690 O ALA A 43 11.201 -4.610 -6.814 1.00 0.00 O ATOM 691 CB ALA A 43 11.985 -7.656 -7.782 1.00 0.00 C ATOM 0 H ALA A 43 13.156 -8.230 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 43 13.241 -5.964 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.433 -7.174 -8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.800 -8.246 -8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.315 -8.309 -7.224 1.00 0.00 H new ATOM 697 N ASP A 44 10.744 -6.196 -5.284 1.00 0.00 N ATOM 698 CA ASP A 44 9.649 -5.447 -4.676 1.00 0.00 C ATOM 699 C ASP A 44 10.181 -4.305 -3.817 1.00 0.00 C ATOM 700 O ASP A 44 9.539 -3.263 -3.685 1.00 0.00 O ATOM 701 CB ASP A 44 8.779 -6.377 -3.827 1.00 0.00 C ATOM 702 CG ASP A 44 8.003 -7.370 -4.669 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.242 -6.930 -5.555 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.155 -8.588 -4.440 1.00 0.00 O ATOM 0 H ASP A 44 10.924 -7.104 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 44 9.043 -5.023 -5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.410 -6.918 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.082 -5.781 -3.238 1.00 0.00 H new ATOM 709 N LYS A 45 11.358 -4.508 -3.233 1.00 0.00 N ATOM 710 CA LYS A 45 11.976 -3.495 -2.386 1.00 0.00 C ATOM 711 C LYS A 45 12.243 -2.216 -3.173 1.00 0.00 C ATOM 712 O LYS A 45 11.700 -1.157 -2.860 1.00 0.00 O ATOM 713 CB LYS A 45 13.281 -4.024 -1.791 1.00 0.00 C ATOM 714 CG LYS A 45 13.084 -4.858 -0.535 1.00 0.00 C ATOM 715 CD LYS A 45 14.396 -5.074 0.202 1.00 0.00 C ATOM 716 CE LYS A 45 14.547 -4.108 1.366 1.00 0.00 C ATOM 717 NZ LYS A 45 15.639 -4.519 2.291 1.00 0.00 N ATOM 0 H LYS A 45 11.902 -5.365 -3.331 1.00 0.00 H new ATOM 0 HA LYS A 45 11.284 -3.263 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.794 -4.627 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.932 -3.181 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.372 -4.362 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.652 -5.823 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.443 -6.099 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.229 -4.945 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.752 -3.108 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.607 -4.052 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.709 -3.835 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.431 -5.462 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.540 -4.548 1.773 1.00 0.00 H new ATOM 731 N ASP A 46 13.083 -2.323 -4.198 1.00 0.00 N ATOM 732 CA ASP A 46 13.422 -1.174 -5.031 1.00 0.00 C ATOM 733 C ASP A 46 12.175 -0.594 -5.691 1.00 0.00 C ATOM 734 O ASP A 46 12.027 0.624 -5.799 1.00 0.00 O ATOM 735 CB ASP A 46 14.439 -1.577 -6.100 1.00 0.00 C ATOM 736 CG ASP A 46 15.783 -1.952 -5.508 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.928 -3.102 -5.046 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.692 -1.094 -5.507 1.00 0.00 O ATOM 0 H ASP A 46 13.541 -3.192 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 46 13.861 -0.409 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.048 -2.420 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.571 -0.753 -6.801 1.00 0.00 H new ATOM 743 N ALA A 47 11.282 -1.473 -6.132 1.00 0.00 N ATOM 744 CA ALA A 47 10.048 -1.049 -6.782 1.00 0.00 C ATOM 745 C ALA A 47 9.159 -0.267 -5.820 1.00 0.00 C ATOM 746 O ALA A 47 8.419 0.626 -6.231 1.00 0.00 O ATOM 747 CB ALA A 47 9.300 -2.255 -7.331 1.00 0.00 C ATOM 0 H ALA A 47 11.390 -2.484 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 47 10.311 -0.389 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.380 -1.924 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.926 -2.771 -8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.057 -2.935 -6.514 1.00 0.00 H new ATOM 753 N LEU A 48 9.238 -0.609 -4.539 1.00 0.00 N ATOM 754 CA LEU A 48 8.440 0.061 -3.519 1.00 0.00 C ATOM 755 C LEU A 48 8.820 1.535 -3.410 1.00 0.00 C ATOM 756 O LEU A 48 7.980 2.381 -3.104 1.00 0.00 O ATOM 757 CB LEU A 48 8.625 -0.626 -2.164 1.00 0.00 C ATOM 758 CG LEU A 48 7.730 -0.098 -1.042 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.265 -0.178 -1.446 1.00 0.00 C ATOM 760 CD2 LEU A 48 7.973 -0.875 0.243 1.00 0.00 C ATOM 0 H LEU A 48 9.846 -1.346 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 48 7.392 -0.005 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.437 -1.693 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.666 -0.519 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 48 7.981 0.948 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.643 0.202 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.101 0.422 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.000 -1.215 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.328 -0.486 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.750 -1.929 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.016 -0.767 0.542 1.00 0.00 H new ATOM 772 N ASP A 49 10.090 1.834 -3.665 1.00 0.00 N ATOM 773 CA ASP A 49 10.580 3.206 -3.596 1.00 0.00 C ATOM 774 C ASP A 49 9.842 4.097 -4.590 1.00 0.00 C ATOM 775 O ASP A 49 9.295 5.137 -4.219 1.00 0.00 O ATOM 776 CB ASP A 49 12.083 3.247 -3.875 1.00 0.00 C ATOM 777 CG ASP A 49 12.791 4.319 -3.071 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.232 5.428 -2.937 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.904 4.050 -2.573 1.00 0.00 O ATOM 0 H ASP A 49 10.798 1.145 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 49 10.394 3.582 -2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.519 2.275 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.248 3.425 -4.938 1.00 0.00 H new ATOM 784 N GLY A 50 9.830 3.685 -5.853 1.00 0.00 N ATOM 785 CA GLY A 50 9.156 4.458 -6.879 1.00 0.00 C ATOM 786 C GLY A 50 7.647 4.376 -6.771 1.00 0.00 C ATOM 787 O GLY A 50 6.939 5.300 -7.170 1.00 0.00 O ATOM 0 H GLY A 50 10.275 2.829 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.466 5.500 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.467 4.101 -7.861 1.00 0.00 H new ATOM 791 N LEU A 51 7.152 3.267 -6.231 1.00 0.00 N ATOM 792 CA LEU A 51 5.717 3.069 -6.073 1.00 0.00 C ATOM 793 C LEU A 51 5.151 4.006 -5.011 1.00 0.00 C ATOM 794 O LEU A 51 4.069 4.569 -5.178 1.00 0.00 O ATOM 795 CB LEU A 51 5.419 1.615 -5.697 1.00 0.00 C ATOM 796 CG LEU A 51 4.076 1.078 -6.203 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.285 -0.125 -7.110 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.170 0.714 -5.035 1.00 0.00 C ATOM 0 H LEU A 51 7.724 2.492 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 51 5.238 3.297 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.217 0.983 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.444 1.524 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 51 3.592 1.864 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.319 -0.490 -7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.893 0.166 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.793 -0.914 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.221 0.335 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.650 -0.053 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.989 1.599 -4.425 1.00 0.00 H new ATOM 810 N LEU A 52 5.891 4.170 -3.919 1.00 0.00 N ATOM 811 CA LEU A 52 5.463 5.040 -2.830 1.00 0.00 C ATOM 812 C LEU A 52 5.298 6.477 -3.313 1.00 0.00 C ATOM 813 O LEU A 52 4.245 7.086 -3.131 1.00 0.00 O ATOM 814 CB LEU A 52 6.473 4.988 -1.681 1.00 0.00 C ATOM 815 CG LEU A 52 6.475 3.687 -0.878 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.776 3.539 -0.105 1.00 0.00 C ATOM 817 CD2 LEU A 52 5.283 3.644 0.067 1.00 0.00 C ATOM 0 H LEU A 52 6.789 3.712 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 52 4.497 4.684 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.472 5.147 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.270 5.816 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 52 6.393 2.852 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.759 2.607 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.614 3.525 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.889 4.378 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.299 2.711 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.335 4.486 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.360 3.703 -0.509 1.00 0.00 H new ATOM 829 N GLN A 53 6.346 7.013 -3.930 1.00 0.00 N ATOM 830 CA GLN A 53 6.317 8.380 -4.439 1.00 0.00 C ATOM 831 C GLN A 53 5.174 8.572 -5.434 1.00 0.00 C ATOM 832 O GLN A 53 4.706 9.690 -5.646 1.00 0.00 O ATOM 833 CB GLN A 53 7.650 8.726 -5.105 1.00 0.00 C ATOM 834 CG GLN A 53 8.834 8.681 -4.153 1.00 0.00 C ATOM 835 CD GLN A 53 9.873 9.740 -4.465 1.00 0.00 C ATOM 836 OE1 GLN A 53 9.869 10.330 -5.545 1.00 0.00 O ATOM 837 NE2 GLN A 53 10.771 9.985 -3.518 1.00 0.00 N ATOM 0 H GLN A 53 7.226 6.522 -4.090 1.00 0.00 H new ATOM 0 HA GLN A 53 6.153 9.050 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.828 8.031 -5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.582 9.723 -5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.479 8.815 -3.131 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.298 7.696 -4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.736 9.472 -2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.495 10.687 -3.671 1.00 0.00 H new ATOM 846 N GLN A 54 4.732 7.476 -6.043 1.00 0.00 N ATOM 847 CA GLN A 54 3.647 7.530 -7.017 1.00 0.00 C ATOM 848 C GLN A 54 2.290 7.371 -6.336 1.00 0.00 C ATOM 849 O GLN A 54 1.451 8.271 -6.384 1.00 0.00 O ATOM 850 CB GLN A 54 3.831 6.441 -8.076 1.00 0.00 C ATOM 851 CG GLN A 54 3.614 6.932 -9.497 1.00 0.00 C ATOM 852 CD GLN A 54 4.304 6.058 -10.527 1.00 0.00 C ATOM 853 OE1 GLN A 54 4.959 5.073 -10.185 1.00 0.00 O ATOM 854 NE2 GLN A 54 4.159 6.415 -11.799 1.00 0.00 N ATOM 0 H GLN A 54 5.107 6.542 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 54 3.676 8.507 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.837 6.030 -7.992 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.136 5.626 -7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.545 6.961 -9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.985 7.953 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.607 7.239 -12.038 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.599 5.865 -12.536 1.00 0.00 H new ATOM 863 N VAL A 55 2.079 6.220 -5.705 1.00 0.00 N ATOM 864 CA VAL A 55 0.822 5.944 -5.018 1.00 0.00 C ATOM 865 C VAL A 55 0.936 6.226 -3.523 1.00 0.00 C ATOM 866 O VAL A 55 0.370 5.504 -2.701 1.00 0.00 O ATOM 867 CB VAL A 55 0.381 4.483 -5.223 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.064 4.220 -6.686 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.453 3.527 -4.722 1.00 0.00 C ATOM 0 H VAL A 55 2.762 5.464 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 55 0.073 6.607 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.526 4.312 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.246 3.182 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.741 4.880 -7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.951 4.409 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.124 2.499 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.378 3.698 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.626 3.698 -3.659 1.00 0.00 H new ATOM 879 N ALA A 56 1.667 7.280 -3.177 1.00 0.00 N ATOM 880 CA ALA A 56 1.850 7.655 -1.780 1.00 0.00 C ATOM 881 C ALA A 56 2.607 8.974 -1.660 1.00 0.00 C ATOM 882 O ALA A 56 3.222 9.438 -2.620 1.00 0.00 O ATOM 883 CB ALA A 56 2.583 6.553 -1.029 1.00 0.00 C ATOM 0 H ALA A 56 2.142 7.889 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 56 0.865 7.790 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.713 6.847 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.002 5.632 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.560 6.390 -1.484 1.00 0.00 H new ATOM 889 N ASN A 57 2.557 9.572 -0.473 1.00 0.00 N ATOM 890 CA ASN A 57 3.238 10.837 -0.226 1.00 0.00 C ATOM 891 C ASN A 57 4.293 10.682 0.864 1.00 0.00 C ATOM 892 O ASN A 57 3.968 10.481 2.034 1.00 0.00 O ATOM 893 CB ASN A 57 2.228 11.913 0.177 1.00 0.00 C ATOM 894 CG ASN A 57 1.653 12.643 -1.021 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.312 13.490 -1.622 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.415 12.317 -1.374 1.00 0.00 N ATOM 0 H ASN A 57 2.052 9.200 0.332 1.00 0.00 H new ATOM 0 HA ASN A 57 3.734 11.140 -1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.417 11.453 0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.711 12.631 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.025 12.775 -2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.096 11.608 -0.847 1.00 0.00 H new ATOM 903 N MET A 58 5.560 10.778 0.472 1.00 0.00 N ATOM 904 CA MET A 58 6.664 10.649 1.416 1.00 0.00 C ATOM 905 C MET A 58 6.889 11.954 2.170 1.00 0.00 C ATOM 906 O MET A 58 6.608 13.037 1.657 1.00 0.00 O ATOM 907 CB MET A 58 7.944 10.242 0.684 1.00 0.00 C ATOM 908 CG MET A 58 9.135 10.038 1.606 1.00 0.00 C ATOM 909 SD MET A 58 10.510 9.203 0.793 1.00 0.00 S ATOM 910 CE MET A 58 10.631 7.711 1.778 1.00 0.00 C ATOM 0 H MET A 58 5.847 10.945 -0.492 1.00 0.00 H new ATOM 0 HA MET A 58 6.404 9.874 2.137 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.760 9.320 0.133 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.191 11.008 -0.051 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.472 11.006 1.977 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.823 9.455 2.473 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.619 7.269 1.648 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.478 7.956 2.829 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.870 7.000 1.456 1.00 0.00 H new ATOM 920 N SER A 59 7.399 11.845 3.393 1.00 0.00 N ATOM 921 CA SER A 59 7.662 13.017 4.220 1.00 0.00 C ATOM 922 C SER A 59 9.124 13.439 4.114 1.00 0.00 C ATOM 923 O SER A 59 10.018 12.598 4.011 1.00 0.00 O ATOM 924 CB SER A 59 7.305 12.730 5.679 1.00 0.00 C ATOM 925 OG SER A 59 7.235 13.928 6.433 1.00 0.00 O ATOM 0 H SER A 59 7.638 10.956 3.833 1.00 0.00 H new ATOM 0 HA SER A 59 7.039 13.834 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.348 12.210 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.051 12.065 6.115 1.00 0.00 H new ATOM 0 HG SER A 59 7.004 13.717 7.362 1.00 0.00 H new ATOM 931 N ALA A 60 9.361 14.747 4.142 1.00 0.00 N ATOM 932 CA ALA A 60 10.715 15.280 4.050 1.00 0.00 C ATOM 933 C ALA A 60 11.245 15.672 5.425 1.00 0.00 C ATOM 934 O ALA A 60 12.017 16.621 5.556 1.00 0.00 O ATOM 935 CB ALA A 60 10.748 16.475 3.110 1.00 0.00 C ATOM 0 H ALA A 60 8.633 15.456 4.228 1.00 0.00 H new ATOM 0 HA ALA A 60 11.361 14.498 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.765 16.863 3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.419 16.167 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.084 17.253 3.487 1.00 0.00 H new ATOM 941 N LYS A 61 10.826 14.933 6.448 1.00 0.00 N ATOM 942 CA LYS A 61 11.259 15.203 7.813 1.00 0.00 C ATOM 943 C LYS A 61 11.603 13.908 8.541 1.00 0.00 C ATOM 944 O LYS A 61 12.666 13.790 9.151 1.00 0.00 O ATOM 945 CB LYS A 61 10.168 15.958 8.576 1.00 0.00 C ATOM 946 CG LYS A 61 10.709 17.012 9.527 1.00 0.00 C ATOM 947 CD LYS A 61 9.849 17.130 10.776 1.00 0.00 C ATOM 948 CE LYS A 61 10.699 17.344 12.018 1.00 0.00 C ATOM 949 NZ LYS A 61 9.869 17.693 13.204 1.00 0.00 N ATOM 0 H LYS A 61 10.187 14.143 6.357 1.00 0.00 H new ATOM 0 HA LYS A 61 12.155 15.822 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.500 16.436 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.571 15.243 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.731 16.758 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.749 17.976 9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.153 17.961 10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.251 16.226 10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.270 16.440 12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.420 18.140 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.485 17.831 14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.343 18.570 13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.198 16.922 13.397 1.00 0.00 H new ATOM 963 N ASP A 62 10.697 12.938 8.474 1.00 0.00 N ATOM 964 CA ASP A 62 10.904 11.650 9.126 1.00 0.00 C ATOM 965 C ASP A 62 11.072 10.539 8.096 1.00 0.00 C ATOM 966 O ASP A 62 12.061 9.807 8.113 1.00 0.00 O ATOM 967 CB ASP A 62 9.729 11.330 10.052 1.00 0.00 C ATOM 968 CG ASP A 62 9.928 11.880 11.451 1.00 0.00 C ATOM 969 OD1 ASP A 62 11.058 11.784 11.972 1.00 0.00 O ATOM 970 OD2 ASP A 62 8.953 12.410 12.024 1.00 0.00 O ATOM 0 H ASP A 62 9.812 13.020 7.974 1.00 0.00 H new ATOM 0 HA ASP A 62 11.818 11.713 9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.814 11.744 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.596 10.249 10.105 1.00 0.00 H new ATOM 975 N GLY A 63 10.100 10.420 7.197 1.00 0.00 N ATOM 976 CA GLY A 63 10.160 9.396 6.170 1.00 0.00 C ATOM 977 C GLY A 63 8.916 8.528 6.143 1.00 0.00 C ATOM 978 O GLY A 63 9.005 7.312 5.977 1.00 0.00 O ATOM 0 H GLY A 63 9.272 11.014 7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.290 9.869 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.034 8.767 6.339 1.00 0.00 H new ATOM 982 N THR A 64 7.756 9.152 6.307 1.00 0.00 N ATOM 983 CA THR A 64 6.490 8.428 6.300 1.00 0.00 C ATOM 984 C THR A 64 5.782 8.583 4.958 1.00 0.00 C ATOM 985 O THR A 64 5.752 9.671 4.383 1.00 0.00 O ATOM 986 CB THR A 64 5.585 8.927 7.428 1.00 0.00 C ATOM 987 OG1 THR A 64 6.352 9.521 8.460 1.00 0.00 O ATOM 988 CG2 THR A 64 4.746 7.832 8.050 1.00 0.00 C ATOM 0 H THR A 64 7.665 10.158 6.447 1.00 0.00 H new ATOM 0 HA THR A 64 6.705 7.371 6.458 1.00 0.00 H new ATOM 0 HB THR A 64 4.918 9.654 6.964 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.756 9.835 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.128 8.253 8.843 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.106 7.387 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.399 7.066 8.468 1.00 0.00 H new ATOM 996 N CYS A 65 5.214 7.488 4.465 1.00 0.00 N ATOM 997 CA CYS A 65 4.505 7.502 3.190 1.00 0.00 C ATOM 998 C CYS A 65 3.006 7.313 3.398 1.00 0.00 C ATOM 999 O CYS A 65 2.556 6.242 3.809 1.00 0.00 O ATOM 1000 CB CYS A 65 5.046 6.407 2.269 1.00 0.00 C ATOM 1001 SG CYS A 65 6.735 6.697 1.691 1.00 0.00 S ATOM 0 H CYS A 65 5.230 6.580 4.928 1.00 0.00 H new ATOM 0 HA CYS A 65 4.669 8.473 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.013 5.454 2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.388 6.316 1.405 1.00 0.00 H new ATOM 0 HG CYS A 65 7.538 5.843 2.252 1.00 0.00 H new ATOM 1007 N THR A 66 2.236 8.357 3.112 1.00 0.00 N ATOM 1008 CA THR A 66 0.788 8.305 3.267 1.00 0.00 C ATOM 1009 C THR A 66 0.107 8.027 1.931 1.00 0.00 C ATOM 1010 O THR A 66 0.765 7.943 0.894 1.00 0.00 O ATOM 1011 CB THR A 66 0.269 9.620 3.852 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.101 10.702 3.469 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.191 9.613 5.363 1.00 0.00 C ATOM 0 H THR A 66 2.591 9.250 2.771 1.00 0.00 H new ATOM 0 HA THR A 66 0.551 7.491 3.952 1.00 0.00 H new ATOM 0 HB THR A 66 -0.739 9.736 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.752 11.534 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.184 10.575 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.483 8.820 5.689 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.184 9.439 5.778 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.213 7.884 1.963 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.983 7.616 0.754 1.00 0.00 C ATOM 1023 C LEU A 67 -2.687 8.878 0.266 1.00 0.00 C ATOM 1024 O LEU A 67 -3.101 9.717 1.065 1.00 0.00 O ATOM 1025 CB LEU A 67 -3.010 6.512 1.014 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.637 5.903 -0.242 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.648 4.980 -0.941 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.914 5.155 0.111 1.00 0.00 C ATOM 0 H LEU A 67 -1.773 7.949 2.813 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.292 7.285 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.530 5.717 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.806 6.917 1.639 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.891 6.711 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.112 4.557 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.762 5.546 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.361 4.175 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.347 4.728 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.685 4.356 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.626 5.845 0.564 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.819 9.004 -1.050 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.473 10.164 -1.644 1.00 0.00 C ATOM 1042 C GLN A 68 -4.990 10.053 -1.527 1.00 0.00 C ATOM 1043 O GLN A 68 -5.543 8.953 -1.518 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.072 10.307 -3.114 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.586 10.099 -3.362 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.160 10.533 -4.750 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.984 10.953 -5.563 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.135 10.434 -5.029 1.00 0.00 N ATOM 0 H GLN A 68 -2.482 8.318 -1.725 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.148 11.050 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.635 9.587 -3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.355 11.300 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.016 10.658 -2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.342 9.046 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.783 10.080 -4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.482 10.712 -5.947 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.656 11.199 -1.439 1.00 0.00 N ATOM 1058 CA ASP A 69 -7.111 11.233 -1.322 1.00 0.00 C ATOM 1059 C ASP A 69 -7.773 10.550 -2.515 1.00 0.00 C ATOM 1060 O ASP A 69 -8.870 10.004 -2.399 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.599 12.678 -1.212 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.643 13.166 0.223 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -8.180 12.436 1.083 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -7.142 14.279 0.487 1.00 0.00 O ATOM 0 H ASP A 69 -5.212 12.117 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.389 10.691 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.942 13.326 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.594 12.757 -1.650 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.101 10.587 -3.662 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.628 9.973 -4.875 1.00 0.00 C ATOM 1071 C CYS A 70 -7.367 8.470 -4.888 1.00 0.00 C ATOM 1072 O CYS A 70 -8.247 7.680 -5.231 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.003 10.622 -6.112 1.00 0.00 C ATOM 1074 SG CYS A 70 -7.832 12.136 -6.649 1.00 0.00 S ATOM 0 H CYS A 70 -6.192 11.035 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.706 10.133 -4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.958 10.848 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.015 9.903 -6.932 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.230 12.611 -7.699 1.00 0.00 H new ATOM 1080 N MET A 71 -6.152 8.081 -4.517 1.00 0.00 N ATOM 1081 CA MET A 71 -5.775 6.672 -4.488 1.00 0.00 C ATOM 1082 C MET A 71 -6.689 5.876 -3.562 1.00 0.00 C ATOM 1083 O MET A 71 -6.869 4.670 -3.739 1.00 0.00 O ATOM 1084 CB MET A 71 -4.320 6.521 -4.042 1.00 0.00 C ATOM 1085 CG MET A 71 -3.316 7.099 -5.028 1.00 0.00 C ATOM 1086 SD MET A 71 -3.488 6.404 -6.682 1.00 0.00 S ATOM 1087 CE MET A 71 -3.224 4.665 -6.350 1.00 0.00 C ATOM 0 H MET A 71 -5.411 8.722 -4.232 1.00 0.00 H new ATOM 0 HA MET A 71 -5.883 6.275 -5.498 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.192 7.011 -3.077 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.103 5.463 -3.893 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.443 8.180 -5.078 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.306 6.913 -4.663 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.730 4.202 -7.204 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.598 4.555 -5.465 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.184 4.178 -6.179 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.265 6.553 -2.573 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.160 5.903 -1.620 1.00 0.00 C ATOM 1099 C TYR A 72 -9.322 5.223 -2.339 1.00 0.00 C ATOM 1100 O TYR A 72 -9.850 4.214 -1.871 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.695 6.923 -0.612 1.00 0.00 C ATOM 1102 CG TYR A 72 -7.887 6.994 0.664 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -7.961 5.983 1.613 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.051 8.074 0.919 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.224 6.045 2.781 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.311 8.143 2.085 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.402 7.127 3.012 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.667 7.192 4.173 1.00 0.00 O ATOM 0 H TYR A 72 -7.128 7.551 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.590 5.141 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.710 7.908 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.726 6.671 -0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.605 5.134 1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.978 8.872 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.292 5.250 3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.665 8.989 2.268 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.748 6.345 4.660 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.717 5.782 -3.479 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.816 5.229 -4.261 1.00 0.00 C ATOM 1120 C LYS A 73 -10.462 3.843 -4.794 1.00 0.00 C ATOM 1121 O LYS A 73 -11.302 2.945 -4.822 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.162 6.162 -5.424 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.609 7.545 -4.981 1.00 0.00 C ATOM 1124 CD LYS A 73 -13.123 7.642 -4.900 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.581 9.081 -4.725 1.00 0.00 C ATOM 1126 NZ LYS A 73 -15.060 9.213 -4.837 1.00 0.00 N ATOM 0 H LYS A 73 -9.292 6.617 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.683 5.137 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.291 6.261 -6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.953 5.707 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.176 7.774 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.233 8.291 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.564 7.226 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.483 7.041 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.257 9.449 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.103 9.708 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.330 10.209 -4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.368 8.886 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.517 8.636 -4.102 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.212 3.681 -5.216 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.746 2.405 -5.748 1.00 0.00 C ATOM 1142 C ASP A 74 -8.879 1.298 -4.706 1.00 0.00 C ATOM 1143 O ASP A 74 -9.059 0.129 -5.049 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.290 2.520 -6.204 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.095 3.605 -7.244 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -6.875 4.771 -6.852 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -7.161 3.290 -8.450 1.00 0.00 O ATOM 0 H ASP A 74 -8.505 4.416 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.369 2.148 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.657 2.729 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.964 1.564 -6.614 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.787 1.673 -3.434 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.896 0.711 -2.343 1.00 0.00 C ATOM 1154 C VAL A 75 -10.223 -0.040 -2.402 1.00 0.00 C ATOM 1155 O VAL A 75 -11.226 0.489 -2.878 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.772 1.400 -0.972 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.688 0.367 0.142 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.563 2.323 -0.945 1.00 0.00 C ATOM 0 H VAL A 75 -8.637 2.636 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.075 0.004 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.665 2.003 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.601 0.874 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.588 -0.248 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.815 -0.266 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.492 2.801 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.659 1.744 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.671 3.086 -1.715 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.218 -1.277 -1.915 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.421 -2.102 -1.911 1.00 0.00 C ATOM 1170 C GLN A 76 -11.875 -2.394 -0.485 1.00 0.00 C ATOM 1171 O GLN A 76 -11.120 -2.205 0.470 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.167 -3.413 -2.658 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.940 -3.229 -4.150 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.636 -3.841 -4.622 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -8.592 -3.189 -4.615 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -9.689 -5.101 -5.036 1.00 0.00 N ATOM 0 H GLN A 76 -9.395 -1.730 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.213 -1.551 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.297 -3.906 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.018 -4.078 -2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.768 -3.680 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.944 -2.165 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.576 -5.605 -5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.843 -5.566 -5.365 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.114 -2.856 -0.347 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.668 -3.175 0.964 1.00 0.00 C ATOM 1187 C LYS A 77 -13.760 -4.685 1.163 1.00 0.00 C ATOM 1188 O LYS A 77 -14.652 -5.177 1.855 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.053 -2.543 1.122 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.020 -1.026 1.223 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.022 -0.380 0.279 1.00 0.00 C ATOM 1192 CE LYS A 77 -15.453 0.874 -0.366 1.00 0.00 C ATOM 1193 NZ LYS A 77 -15.052 0.637 -1.780 1.00 0.00 N ATOM 0 H LYS A 77 -13.752 -3.018 -1.126 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.000 -2.767 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.673 -2.829 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.529 -2.948 2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.238 -0.724 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.017 -0.667 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.305 -1.092 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.930 -0.128 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.196 1.671 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.589 1.216 0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.669 1.515 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.325 -0.106 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.881 0.336 -2.330 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.832 -5.414 0.553 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.807 -6.868 0.664 1.00 0.00 C ATOM 1209 C ASP A 78 -11.374 -7.389 0.703 1.00 0.00 C ATOM 1210 O ASP A 78 -11.100 -8.511 0.278 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.560 -7.502 -0.508 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.336 -8.738 -0.096 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.101 -8.657 0.887 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -14.177 -9.785 -0.758 1.00 0.00 O ATOM 0 H ASP A 78 -12.087 -5.022 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.299 -7.144 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.247 -6.770 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.850 -7.766 -1.292 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.463 -6.566 1.215 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.058 -6.946 1.309 1.00 0.00 C ATOM 1221 C TRP A 79 -8.856 -8.031 2.366 1.00 0.00 C ATOM 1222 O TRP A 79 -9.039 -7.786 3.559 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.202 -5.724 1.650 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.730 -5.981 1.541 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.850 -6.153 2.570 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -5.965 -6.096 0.335 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.584 -6.367 2.078 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.630 -6.337 0.709 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.280 -6.019 -1.025 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.612 -6.501 -0.228 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.269 -6.181 -1.954 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -3.949 -6.421 -1.552 1.00 0.00 C ATOM 0 H TRP A 79 -10.673 -5.633 1.570 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.749 -7.343 0.342 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.471 -4.904 0.984 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.433 -5.399 2.665 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.110 -6.125 3.618 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.747 -6.523 2.640 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.295 -5.836 -1.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.593 -6.685 0.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.501 -6.121 -3.007 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.182 -6.545 -2.302 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.475 -9.253 1.946 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.252 -10.369 2.871 1.00 0.00 C ATOM 1245 C PRO A 80 -7.285 -10.011 3.995 1.00 0.00 C ATOM 1246 O PRO A 80 -7.306 -10.622 5.063 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.653 -11.460 1.979 1.00 0.00 C ATOM 1248 CG PRO A 80 -8.139 -11.139 0.608 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.232 -9.641 0.543 1.00 0.00 C ATOM 0 HA PRO A 80 -9.172 -10.667 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.564 -11.454 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.980 -12.451 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.453 -11.521 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.109 -11.599 0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.314 -9.198 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.042 -9.317 -0.110 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.437 -9.018 3.748 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.473 -8.598 4.749 1.00 0.00 C ATOM 1259 C GLY A 81 -6.129 -8.193 6.055 1.00 0.00 C ATOM 1260 O GLY A 81 -5.722 -8.643 7.126 1.00 0.00 O ATOM 0 H GLY A 81 -6.400 -8.496 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.771 -9.411 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.894 -7.759 4.362 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.146 -7.342 5.966 1.00 0.00 N ATOM 1265 CA TYR A 82 -7.859 -6.879 7.151 1.00 0.00 C ATOM 1266 C TYR A 82 -8.650 -8.015 7.789 1.00 0.00 C ATOM 1267 O TYR A 82 -8.776 -9.097 7.215 1.00 0.00 O ATOM 1268 CB TYR A 82 -8.799 -5.728 6.788 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.168 -4.688 5.890 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -6.878 -4.230 6.126 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -8.861 -4.165 4.806 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.297 -3.280 5.308 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.287 -3.215 3.983 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.006 -2.776 4.237 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.430 -1.831 3.420 1.00 0.00 O ATOM 0 H TYR A 82 -7.495 -6.959 5.087 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.123 -6.524 7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.682 -6.134 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.139 -5.246 7.704 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.320 -4.623 6.963 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.865 -4.507 4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.293 -2.934 5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.840 -2.818 3.144 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.700 -1.385 3.899 1.00 0.00 H new ATOM 1285 N SER A 83 -9.182 -7.763 8.981 1.00 0.00 N ATOM 1286 CA SER A 83 -9.962 -8.766 9.697 1.00 0.00 C ATOM 1287 C SER A 83 -11.163 -8.129 10.389 1.00 0.00 C ATOM 1288 O SER A 83 -12.311 -8.400 10.036 1.00 0.00 O ATOM 1289 CB SER A 83 -9.086 -9.482 10.727 1.00 0.00 C ATOM 1290 OG SER A 83 -9.642 -10.736 11.085 1.00 0.00 O ATOM 0 H SER A 83 -9.087 -6.873 9.471 1.00 0.00 H new ATOM 0 HA SER A 83 -10.327 -9.493 8.972 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.085 -9.627 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.982 -8.860 11.616 1.00 0.00 H new ATOM 0 HG SER A 83 -10.550 -10.605 11.430 1.00 0.00 H new ATOM 1296 N GLU A 84 -10.891 -7.282 11.376 1.00 0.00 N ATOM 1297 CA GLU A 84 -11.950 -6.607 12.118 1.00 0.00 C ATOM 1298 C GLU A 84 -11.584 -5.152 12.387 1.00 0.00 C ATOM 1299 O GLU A 84 -12.229 -4.234 11.878 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.217 -7.331 13.439 1.00 0.00 C ATOM 1301 CG GLU A 84 -12.577 -8.798 13.266 1.00 0.00 C ATOM 1302 CD GLU A 84 -11.392 -9.718 13.487 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -10.487 -9.346 14.265 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -11.370 -10.812 12.886 1.00 0.00 O ATOM 0 H GLU A 84 -9.946 -7.047 11.681 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.855 -6.628 11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.332 -7.255 14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.028 -6.826 13.963 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.371 -9.059 13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.973 -8.956 12.263 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.545 -4.947 13.191 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.113 -3.600 13.514 1.00 0.00 C ATOM 1313 C GLY A 85 -9.728 -2.803 12.283 1.00 0.00 C ATOM 1314 O GLY A 85 -10.147 -1.656 12.122 1.00 0.00 O ATOM 0 H GLY A 85 -9.995 -5.689 13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.913 -3.082 14.043 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.262 -3.648 14.193 1.00 0.00 H new ATOM 1318 N ASP A 86 -8.929 -3.410 11.412 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.488 -2.749 10.189 1.00 0.00 C ATOM 1320 C ASP A 86 -9.676 -2.400 9.299 1.00 0.00 C ATOM 1321 O ASP A 86 -9.730 -1.316 8.717 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.510 -3.645 9.426 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.125 -3.646 10.042 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -5.635 -2.556 10.403 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.530 -4.738 10.164 1.00 0.00 O ATOM 0 H ASP A 86 -8.574 -4.359 11.530 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.983 -1.824 10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.896 -4.664 9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.444 -3.308 8.392 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.625 -3.324 9.198 1.00 0.00 N ATOM 1331 CA GLN A 87 -11.812 -3.114 8.377 1.00 0.00 C ATOM 1332 C GLN A 87 -12.642 -1.949 8.908 1.00 0.00 C ATOM 1333 O GLN A 87 -13.091 -1.094 8.143 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.662 -4.385 8.339 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.114 -5.456 7.411 1.00 0.00 C ATOM 1336 CD GLN A 87 -12.992 -6.691 7.365 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.014 -6.767 8.047 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.596 -7.668 6.557 1.00 0.00 N ATOM 0 H GLN A 87 -10.596 -4.226 9.674 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.486 -2.873 7.365 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.736 -4.793 9.347 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.673 -4.127 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.017 -5.046 6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.113 -5.738 7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.742 -7.562 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.146 -8.524 6.484 1.00 0.00 H new ATOM 1347 N GLN A 88 -12.844 -1.922 10.221 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.621 -0.863 10.854 1.00 0.00 C ATOM 1349 C GLN A 88 -12.941 0.491 10.680 1.00 0.00 C ATOM 1350 O GLN A 88 -13.573 1.469 10.282 1.00 0.00 O ATOM 1351 CB GLN A 88 -13.816 -1.162 12.340 1.00 0.00 C ATOM 1352 CG GLN A 88 -14.929 -2.158 12.621 1.00 0.00 C ATOM 1353 CD GLN A 88 -15.422 -2.094 14.053 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -15.758 -1.023 14.559 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -15.468 -3.243 14.716 1.00 0.00 N ATOM 0 H GLN A 88 -12.480 -2.622 10.868 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.596 -0.824 10.368 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.883 -1.548 12.750 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.033 -0.231 12.864 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.762 -1.966 11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.572 -3.166 12.408 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.180 -4.108 14.258 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -15.791 -3.261 15.683 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.648 0.540 10.984 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.881 1.774 10.863 1.00 0.00 C ATOM 1366 C LEU A 89 -10.889 2.283 9.425 1.00 0.00 C ATOM 1367 O LEU A 89 -11.099 3.470 9.177 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.441 1.551 11.330 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.565 2.808 11.353 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.153 3.149 12.777 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.337 2.622 10.472 1.00 0.00 C ATOM 0 H LEU A 89 -11.110 -0.260 11.316 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.349 2.527 11.497 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.462 1.123 12.332 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.974 0.813 10.678 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.150 3.638 10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.532 4.045 12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.043 3.329 13.380 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.589 2.319 13.201 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.728 3.525 10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.752 1.778 10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.651 2.430 9.446 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.658 1.377 8.480 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.636 1.732 7.065 1.00 0.00 C ATOM 1385 C LEU A 90 -11.939 2.410 6.649 1.00 0.00 C ATOM 1386 O LEU A 90 -11.952 3.257 5.755 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.404 0.486 6.209 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.365 0.735 4.700 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.928 0.834 4.210 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -11.108 -0.366 3.957 1.00 0.00 C ATOM 0 H LEU A 90 -10.483 0.390 8.669 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.817 2.434 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.463 0.027 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.193 -0.235 6.423 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.863 1.683 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.922 1.011 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.427 1.659 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.405 -0.097 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.069 -0.172 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.640 -1.327 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.147 -0.389 4.284 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.032 2.032 7.301 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.340 2.601 6.999 1.00 0.00 C ATOM 1404 C LYS A 91 -14.381 4.087 7.342 1.00 0.00 C ATOM 1405 O LYS A 91 -14.591 4.931 6.470 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.434 1.853 7.765 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.456 1.181 6.864 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.747 0.884 7.609 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.969 1.159 6.746 1.00 0.00 C ATOM 1410 NZ LYS A 91 -19.757 -0.078 6.489 1.00 0.00 N ATOM 0 H LYS A 91 -13.038 1.333 8.043 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.518 2.492 5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.970 1.098 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.948 2.553 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.668 1.824 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.041 0.253 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.753 -0.159 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.795 1.492 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.602 1.897 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.653 1.592 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.581 0.152 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.161 -0.773 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.080 -0.478 7.393 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.183 4.400 8.618 1.00 0.00 N ATOM 1425 CA ARG A 92 -14.201 5.784 9.080 1.00 0.00 C ATOM 1426 C ARG A 92 -13.179 6.630 8.325 1.00 0.00 C ATOM 1427 O ARG A 92 -13.436 7.789 8.002 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.918 5.846 10.581 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.714 5.020 11.007 1.00 0.00 C ATOM 1430 CD ARG A 92 -12.280 5.358 12.423 1.00 0.00 C ATOM 1431 NE ARG A 92 -13.372 5.203 13.383 1.00 0.00 N ATOM 1432 CZ ARG A 92 -13.193 5.095 14.697 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -11.971 5.125 15.213 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -14.240 4.957 15.499 1.00 0.00 N ATOM 0 H ARG A 92 -14.008 3.713 9.352 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.194 6.189 8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.756 6.885 10.869 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.797 5.498 11.123 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.958 3.960 10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.887 5.199 10.319 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.450 4.713 12.711 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.913 6.384 12.454 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.327 5.176 13.024 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.162 5.231 14.601 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.841 5.042 16.221 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.182 4.934 15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.103 4.874 16.506 1.00 0.00 H new ATOM 1448 N VAL A 93 -12.019 6.043 8.050 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.957 6.745 7.338 1.00 0.00 C ATOM 1450 C VAL A 93 -11.379 7.081 5.910 1.00 0.00 C ATOM 1451 O VAL A 93 -11.221 8.215 5.458 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.663 5.910 7.295 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.533 6.704 6.658 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.278 5.451 8.693 1.00 0.00 C ATOM 0 H VAL A 93 -11.790 5.083 8.309 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.768 7.669 7.885 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.844 5.027 6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.628 6.097 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.810 6.978 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.350 7.607 7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.362 4.863 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.117 6.321 9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.079 4.840 9.109 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.913 6.089 5.205 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.354 6.281 3.827 1.00 0.00 C ATOM 1466 C LEU A 94 -13.361 7.423 3.724 1.00 0.00 C ATOM 1467 O LEU A 94 -13.152 8.382 2.981 1.00 0.00 O ATOM 1468 CB LEU A 94 -12.971 4.990 3.285 1.00 0.00 C ATOM 1469 CG LEU A 94 -11.980 4.017 2.646 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.569 2.616 2.586 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.588 4.492 1.256 1.00 0.00 C ATOM 0 H LEU A 94 -12.051 5.144 5.564 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.481 6.541 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.483 4.480 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.729 5.250 2.546 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.083 3.985 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.849 1.938 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.798 2.274 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.483 2.631 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.882 3.787 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.477 4.554 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.123 5.476 1.325 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.454 7.314 4.472 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.493 8.337 4.462 1.00 0.00 C ATOM 1485 C VAL A 95 -14.925 9.709 4.817 1.00 0.00 C ATOM 1486 O VAL A 95 -15.455 10.737 4.396 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.629 7.993 5.447 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.768 8.994 5.322 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -17.129 6.577 5.210 1.00 0.00 C ATOM 0 H VAL A 95 -14.643 6.527 5.093 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.895 8.367 3.449 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.234 8.051 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.560 8.734 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.399 9.995 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.163 8.971 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.930 6.351 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.506 6.490 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.310 5.873 5.355 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.846 9.718 5.593 1.00 0.00 N ATOM 1500 CA ARG A 96 -13.211 10.967 6.001 1.00 0.00 C ATOM 1501 C ARG A 96 -12.431 11.586 4.844 1.00 0.00 C ATOM 1502 O ARG A 96 -12.357 12.808 4.717 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.279 10.724 7.192 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.553 11.640 8.373 1.00 0.00 C ATOM 1505 CD ARG A 96 -13.953 11.432 8.927 1.00 0.00 C ATOM 1506 NE ARG A 96 -13.981 10.421 9.982 1.00 0.00 N ATOM 1507 CZ ARG A 96 -13.440 10.590 11.186 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -12.828 11.728 11.493 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -13.510 9.620 12.086 1.00 0.00 N ATOM 0 H ARG A 96 -13.394 8.877 5.951 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.994 11.664 6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.378 9.688 7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.247 10.860 6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.819 11.454 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.433 12.679 8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.331 12.376 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.621 11.132 8.120 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.443 9.533 9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.771 12.478 10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.415 11.852 12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.979 8.744 11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.095 9.750 13.009 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.851 10.735 4.006 1.00 0.00 N ATOM 1524 CA LYS A 97 -11.077 11.199 2.861 1.00 0.00 C ATOM 1525 C LYS A 97 -11.992 11.572 1.699 1.00 0.00 C ATOM 1526 O LYS A 97 -11.804 12.603 1.054 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.084 10.122 2.417 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.104 9.715 3.504 1.00 0.00 C ATOM 1529 CD LYS A 97 -8.195 10.868 3.895 1.00 0.00 C ATOM 1530 CE LYS A 97 -7.178 10.446 4.943 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.989 11.492 5.987 1.00 0.00 N ATOM 0 H LYS A 97 -11.902 9.720 4.098 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.525 12.088 3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.637 9.242 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.526 10.487 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.653 9.370 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.501 8.877 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.676 11.239 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.796 11.692 4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.505 9.519 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.223 10.239 4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.288 11.166 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.653 12.370 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.894 11.672 6.466 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.983 10.726 1.437 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.927 10.968 0.353 1.00 0.00 C ATOM 1547 C LEU A 98 -14.931 12.051 0.735 1.00 0.00 C ATOM 1548 O LEU A 98 -15.012 13.092 0.083 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.666 9.676 -0.006 1.00 0.00 C ATOM 1550 CG LEU A 98 -13.773 8.447 -0.189 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -14.596 7.253 -0.647 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -12.656 8.741 -1.181 1.00 0.00 C ATOM 0 H LEU A 98 -13.153 9.867 1.961 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.363 11.311 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.395 9.463 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.226 9.840 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 98 -13.321 8.203 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.944 6.388 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -15.358 7.028 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -15.077 7.485 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.031 7.856 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.087 9.011 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.049 9.567 -0.811 1.00 0.00 H new ATOM 1564 N SER A 99 -15.692 11.799 1.795 1.00 0.00 N ATOM 1565 CA SER A 99 -16.690 12.753 2.263 1.00 0.00 C ATOM 1566 C SER A 99 -16.148 13.585 3.421 1.00 0.00 C ATOM 1567 O SER A 99 -15.135 13.235 4.029 1.00 0.00 O ATOM 1568 CB SER A 99 -17.962 12.023 2.695 1.00 0.00 C ATOM 1569 OG SER A 99 -19.120 12.742 2.312 1.00 0.00 O ATOM 0 H SER A 99 -15.636 10.942 2.346 1.00 0.00 H new ATOM 0 HA SER A 99 -16.928 13.424 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 99 -17.984 11.029 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 99 -17.957 11.886 3.776 1.00 0.00 H new ATOM 0 HG SER A 99 -19.919 12.252 2.599 1.00 0.00 H new ATOM 1575 N GLY A 100 -16.828 14.685 3.723 1.00 0.00 N ATOM 1576 CA GLY A 100 -16.401 15.549 4.808 1.00 0.00 C ATOM 1577 C GLY A 100 -15.500 16.674 4.334 1.00 0.00 C ATOM 1578 O GLY A 100 -14.285 16.619 4.521 1.00 0.00 O ATOM 0 H GLY A 100 -17.669 14.994 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -17.278 15.972 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.874 14.956 5.555 1.00 0.00 H new ATOM 1582 N PRO A 101 -16.073 17.719 3.711 1.00 0.00 N ATOM 1583 CA PRO A 101 -15.300 18.861 3.212 1.00 0.00 C ATOM 1584 C PRO A 101 -14.396 19.460 4.284 1.00 0.00 C ATOM 1585 O PRO A 101 -13.223 19.743 4.036 1.00 0.00 O ATOM 1586 CB PRO A 101 -16.376 19.867 2.798 1.00 0.00 C ATOM 1587 CG PRO A 101 -17.576 19.037 2.500 1.00 0.00 C ATOM 1588 CD PRO A 101 -17.516 17.869 3.445 1.00 0.00 C ATOM 0 HA PRO A 101 -14.631 18.576 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.577 20.582 3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.066 20.442 1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -18.492 19.609 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -17.570 18.701 1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.075 18.063 4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.938 16.969 2.999 1.00 0.00 H new ATOM 1596 N SER A 102 -14.948 19.651 5.478 1.00 0.00 N ATOM 1597 CA SER A 102 -14.191 20.216 6.589 1.00 0.00 C ATOM 1598 C SER A 102 -14.379 19.385 7.854 1.00 0.00 C ATOM 1599 O SER A 102 -15.213 18.479 7.896 1.00 0.00 O ATOM 1600 CB SER A 102 -14.621 21.663 6.843 1.00 0.00 C ATOM 1601 OG SER A 102 -13.598 22.572 6.476 1.00 0.00 O ATOM 0 H SER A 102 -15.917 19.423 5.701 1.00 0.00 H new ATOM 0 HA SER A 102 -13.134 20.201 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 102 -15.526 21.881 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.866 21.793 7.897 1.00 0.00 H new ATOM 0 HG SER A 102 -13.899 23.489 6.647 1.00 0.00 H new ATOM 1607 N SER A 103 -13.601 19.699 8.885 1.00 0.00 N ATOM 1608 CA SER A 103 -13.683 18.982 10.152 1.00 0.00 C ATOM 1609 C SER A 103 -13.791 19.954 11.322 1.00 0.00 C ATOM 1610 O SER A 103 -14.781 19.955 12.052 1.00 0.00 O ATOM 1611 CB SER A 103 -12.460 18.081 10.332 1.00 0.00 C ATOM 1612 OG SER A 103 -11.863 17.774 9.084 1.00 0.00 O ATOM 0 H SER A 103 -12.906 20.446 8.868 1.00 0.00 H new ATOM 0 HA SER A 103 -14.581 18.364 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.732 18.576 10.975 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.754 17.159 10.834 1.00 0.00 H new ATOM 0 HG SER A 103 -11.083 17.199 9.227 1.00 0.00 H new ATOM 1618 N GLY A 104 -12.763 20.780 11.495 1.00 0.00 N ATOM 1619 CA GLY A 104 -12.762 21.745 12.577 1.00 0.00 C ATOM 1620 C GLY A 104 -11.372 21.999 13.128 1.00 0.00 C ATOM 1621 O GLY A 104 -10.661 21.015 13.421 1.00 0.00 O ATOM 1622 OXT GLY A 104 -10.994 23.181 13.263 1.00 0.00 O ATOM 0 H GLY A 104 -11.931 20.797 10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.186 22.684 12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.407 21.387 13.379 1.00 0.00 H new TER 1626 GLY A 104