USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 736 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: X 75 THR OG1 : rot 130:sc= -0.115 USER MOD Set 1.2: X 77 ASN : amide:sc= -3.3 K(o=-3.3,f=-7.4!) USER MOD Set 1.3: X 93 THR OG1 : rot -120:sc= 0.153 USER MOD Set 2.1: X 25 SER OG : rot 110:sc= -0.0791 USER MOD Set 2.2: X 55 TYR OH : rot 150:sc= 0.00164 USER MOD Set 3.1: X 12 ASN :FLIP amide:sc= -0.443 F(o=-2.4,f=-1.6) USER MOD Set 3.2: X 48 THR OG1 : rot 171:sc= -1.19 USER MOD Single : X 1 GLU N :NH3+ -168:sc= 1.47 (180deg=0.955!) USER MOD Single : X 8 THR OG1 : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 LYS NZ :NH3+ 158:sc= -1.03 (180deg=-2.38) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.0576 USER MOD Single : X 20 LYS NZ :NH3+ -147:sc= 1.24 (180deg=1.05) USER MOD Single : X 21 SER OG : rot 180:sc= 0 USER MOD Single : X 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.72) USER MOD Single : X 26 SER OG : rot 138:sc= -0.206! USER MOD Single : X 32 LYS NZ :NH3+ -178:sc=-0.00387 (180deg=-0.0069) USER MOD Single : X 33 LYS NZ :NH3+ 153:sc= 1.23 (180deg=1.19) USER MOD Single : X 34 THR OG1 : rot 84:sc= 1.28 USER MOD Single : X 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0674) USER MOD Single : X 38 THR OG1 : rot -139:sc= 0.0238 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot -140:sc= -0.667 USER MOD Single : X 50 ASN : amide:sc= 0.305 X(o=0.31,f=-0.00032) USER MOD Single : X 51 LYS NZ :NH3+ -123:sc= -0.252 (180deg=-0.581!) USER MOD Single : X 54 TYR OH : rot 180:sc= 0 USER MOD Single : X 56 ASN : amide:sc= -0.886 K(o=-0.89,f=-2.2!) USER MOD Single : X 65 GLN : amide:sc= 1.98 K(o=2,f=-0.3) USER MOD Single : X 67 LYS NZ :NH3+ 176:sc= 2.1 (180deg=1.99) USER MOD Single : X 73 ASN : amide:sc= -0.231 K(o=-0.23,f=-8.2!) USER MOD Single : X 78 TYR OH : rot 180:sc= 0 USER MOD Single : X 80 THR OG1 : rot 170:sc= 0 USER MOD Single : X 85 LYS NZ :NH3+ 166:sc= 2.08 (180deg=1.59) USER MOD Single : X 89 ASN : amide:sc= -0.524 K(o=-0.52,f=-3.2!) USER MOD Single : X 97 SER OG : rot 73:sc= 0.787 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 1 -15.755 2.716 6.004 1.00 0.00 N ATOM 2 CA GLU X 1 -14.823 3.244 5.016 1.00 0.00 C ATOM 3 C GLU X 1 -14.712 2.289 3.843 1.00 0.00 C ATOM 4 O GLU X 1 -13.999 1.293 3.900 1.00 0.00 O ATOM 5 CB GLU X 1 -13.426 3.545 5.623 1.00 0.00 C ATOM 6 CG GLU X 1 -13.362 4.743 6.589 1.00 0.00 C ATOM 7 CD GLU X 1 -14.251 4.610 7.807 1.00 0.00 C ATOM 8 OE1 GLU X 1 -15.463 4.883 7.701 1.00 0.00 O ATOM 9 OE2 GLU X 1 -13.774 4.225 8.873 1.00 0.00 O ATOM 0 H1 GLU X 1 -15.981 3.457 6.698 1.00 0.00 H new ATOM 0 H2 GLU X 1 -16.628 2.409 5.529 1.00 0.00 H new ATOM 0 H3 GLU X 1 -15.322 1.905 6.491 1.00 0.00 H new ATOM 0 HA GLU X 1 -15.221 4.196 4.664 1.00 0.00 H new ATOM 0 HB2 GLU X 1 -13.081 2.657 6.152 1.00 0.00 H new ATOM 0 HB3 GLU X 1 -12.726 3.722 4.807 1.00 0.00 H new ATOM 0 HG2 GLU X 1 -12.331 4.874 6.919 1.00 0.00 H new ATOM 0 HG3 GLU X 1 -13.641 5.647 6.047 1.00 0.00 H new ATOM 18 N GLU X 2 -15.434 2.588 2.786 1.00 0.00 N ATOM 19 CA GLU X 2 -15.451 1.756 1.594 1.00 0.00 C ATOM 20 C GLU X 2 -14.562 2.410 0.532 1.00 0.00 C ATOM 21 O GLU X 2 -14.447 1.943 -0.604 1.00 0.00 O ATOM 22 CB GLU X 2 -16.901 1.620 1.087 1.00 0.00 C ATOM 23 CG GLU X 2 -17.090 0.661 -0.081 1.00 0.00 C ATOM 24 CD GLU X 2 -18.492 0.661 -0.610 1.00 0.00 C ATOM 25 OE1 GLU X 2 -18.833 1.550 -1.411 1.00 0.00 O ATOM 26 OE2 GLU X 2 -19.280 -0.226 -0.244 1.00 0.00 O ATOM 0 H GLU X 2 -16.028 3.415 2.724 1.00 0.00 H new ATOM 0 HA GLU X 2 -15.070 0.759 1.815 1.00 0.00 H new ATOM 0 HB2 GLU X 2 -17.529 1.289 1.914 1.00 0.00 H new ATOM 0 HB3 GLU X 2 -17.259 2.605 0.789 1.00 0.00 H new ATOM 0 HG2 GLU X 2 -16.404 0.933 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU X 2 -16.826 -0.348 0.236 1.00 0.00 H new ATOM 33 N ARG X 3 -13.921 3.481 0.916 1.00 0.00 N ATOM 34 CA ARG X 3 -13.084 4.208 0.021 1.00 0.00 C ATOM 35 C ARG X 3 -11.663 4.105 0.403 1.00 0.00 C ATOM 36 O ARG X 3 -11.277 4.432 1.524 1.00 0.00 O ATOM 37 CB ARG X 3 -13.492 5.663 -0.091 1.00 0.00 C ATOM 38 CG ARG X 3 -14.712 5.874 -0.936 1.00 0.00 C ATOM 39 CD ARG X 3 -15.166 7.316 -0.889 1.00 0.00 C ATOM 40 NE ARG X 3 -16.305 7.568 -1.777 1.00 0.00 N ATOM 41 CZ ARG X 3 -16.665 8.770 -2.253 1.00 0.00 C ATOM 42 NH1 ARG X 3 -15.960 9.857 -1.951 1.00 0.00 N ATOM 43 NH2 ARG X 3 -17.733 8.877 -3.033 1.00 0.00 N ATOM 0 H ARG X 3 -13.969 3.868 1.859 1.00 0.00 H new ATOM 0 HA ARG X 3 -13.213 3.750 -0.960 1.00 0.00 H new ATOM 0 HB2 ARG X 3 -13.677 6.059 0.907 1.00 0.00 H new ATOM 0 HB3 ARG X 3 -12.664 6.234 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG X 3 -14.498 5.591 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG X 3 -15.516 5.225 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG X 3 -15.441 7.575 0.133 1.00 0.00 H new ATOM 0 HD3 ARG X 3 -14.337 7.965 -1.171 1.00 0.00 H new ATOM 0 HE ARG X 3 -16.869 6.765 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG X 3 -15.137 9.781 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG X 3 -16.242 10.766 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG X 3 -18.277 8.047 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG X 3 -18.010 9.789 -3.397 1.00 0.00 H new ATOM 57 N GLU X 4 -10.921 3.624 -0.514 1.00 0.00 N ATOM 58 CA GLU X 4 -9.494 3.554 -0.417 1.00 0.00 C ATOM 59 C GLU X 4 -8.987 4.681 -1.275 1.00 0.00 C ATOM 60 O GLU X 4 -9.753 5.185 -2.119 1.00 0.00 O ATOM 61 CB GLU X 4 -8.988 2.237 -1.025 1.00 0.00 C ATOM 62 CG GLU X 4 -9.610 0.975 -0.444 1.00 0.00 C ATOM 63 CD GLU X 4 -9.253 -0.283 -1.207 1.00 0.00 C ATOM 64 OE1 GLU X 4 -9.857 -0.538 -2.265 1.00 0.00 O ATOM 65 OE2 GLU X 4 -8.415 -1.074 -0.738 1.00 0.00 O ATOM 0 H GLU X 4 -11.289 3.251 -1.389 1.00 0.00 H new ATOM 0 HA GLU X 4 -9.163 3.613 0.620 1.00 0.00 H new ATOM 0 HB2 GLU X 4 -9.176 2.255 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU X 4 -7.907 2.185 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU X 4 -9.289 0.865 0.592 1.00 0.00 H new ATOM 0 HG3 GLU X 4 -10.694 1.087 -0.431 1.00 0.00 H new ATOM 72 N ASP X 5 -7.756 5.112 -1.079 1.00 0.00 N ATOM 73 CA ASP X 5 -7.146 6.094 -2.035 1.00 0.00 C ATOM 74 C ASP X 5 -7.010 5.411 -3.389 1.00 0.00 C ATOM 75 O ASP X 5 -7.423 4.256 -3.590 1.00 0.00 O ATOM 76 CB ASP X 5 -5.713 6.510 -1.665 1.00 0.00 C ATOM 77 CG ASP X 5 -5.463 6.665 -0.230 1.00 0.00 C ATOM 78 OD1 ASP X 5 -5.322 5.635 0.440 1.00 0.00 O ATOM 79 OD2 ASP X 5 -5.360 7.797 0.232 1.00 0.00 O ATOM 0 H ASP X 5 -7.155 4.828 -0.305 1.00 0.00 H new ATOM 0 HA ASP X 5 -7.793 6.971 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -5.021 5.766 -2.060 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -5.485 7.453 -2.162 1.00 0.00 H new ATOM 84 N CYS X 6 -6.407 6.064 -4.313 1.00 0.00 N ATOM 85 CA CYS X 6 -6.224 5.423 -5.569 1.00 0.00 C ATOM 86 C CYS X 6 -4.905 4.720 -5.700 1.00 0.00 C ATOM 87 O CYS X 6 -3.881 5.314 -6.029 1.00 0.00 O ATOM 88 CB CYS X 6 -6.554 6.273 -6.762 1.00 0.00 C ATOM 89 SG CYS X 6 -6.034 8.024 -6.646 1.00 0.00 S ATOM 0 H CYS X 6 -6.040 7.013 -4.233 1.00 0.00 H new ATOM 0 HA CYS X 6 -6.982 4.640 -5.571 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -6.088 5.831 -7.642 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -7.632 6.241 -6.922 1.00 0.00 H new ATOM 94 N TRP X 7 -4.929 3.453 -5.456 1.00 0.00 N ATOM 95 CA TRP X 7 -3.729 2.684 -5.492 1.00 0.00 C ATOM 96 C TRP X 7 -3.695 1.964 -6.798 1.00 0.00 C ATOM 97 O TRP X 7 -4.697 1.368 -7.204 1.00 0.00 O ATOM 98 CB TRP X 7 -3.678 1.661 -4.324 1.00 0.00 C ATOM 99 CG TRP X 7 -4.173 2.180 -3.016 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.297 3.470 -2.645 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.594 1.403 -1.896 1.00 0.00 C ATOM 102 NE1 TRP X 7 -4.810 3.549 -1.398 1.00 0.00 N ATOM 103 CE2 TRP X 7 -4.970 2.299 -0.895 1.00 0.00 C ATOM 104 CE3 TRP X 7 -4.687 0.035 -1.643 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.432 1.874 0.344 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -5.136 -0.377 -0.417 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.498 0.545 0.558 1.00 0.00 C ATOM 0 H TRP X 7 -5.771 2.925 -5.228 1.00 0.00 H new ATOM 0 HA TRP X 7 -2.868 3.343 -5.384 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -4.268 0.787 -4.599 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.649 1.324 -4.199 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -4.025 4.318 -3.256 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -5.041 4.414 -0.910 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -4.410 -0.685 -2.399 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -5.727 2.581 1.106 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -5.210 -1.433 -0.205 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -5.843 0.185 1.516 1.00 0.00 H new ATOM 118 N THR X 8 -2.604 2.020 -7.463 1.00 0.00 N ATOM 119 CA THR X 8 -2.476 1.316 -8.682 1.00 0.00 C ATOM 120 C THR X 8 -1.638 0.094 -8.387 1.00 0.00 C ATOM 121 O THR X 8 -0.621 0.170 -7.659 1.00 0.00 O ATOM 122 CB THR X 8 -1.873 2.206 -9.834 1.00 0.00 C ATOM 123 OG1 THR X 8 -1.912 1.505 -11.083 1.00 0.00 O ATOM 124 CG2 THR X 8 -0.435 2.646 -9.545 1.00 0.00 C ATOM 0 H THR X 8 -1.780 2.551 -7.182 1.00 0.00 H new ATOM 0 HA THR X 8 -3.455 1.022 -9.060 1.00 0.00 H new ATOM 0 HB THR X 8 -2.491 3.102 -9.890 1.00 0.00 H new ATOM 0 HG1 THR X 8 -1.536 2.072 -11.788 1.00 0.00 H new ATOM 0 HG21 THR X 8 -0.068 3.256 -10.370 1.00 0.00 H new ATOM 0 HG22 THR X 8 -0.411 3.229 -8.624 1.00 0.00 H new ATOM 0 HG23 THR X 8 0.199 1.767 -9.434 1.00 0.00 H new ATOM 132 N PHE X 9 -2.096 -1.033 -8.841 1.00 0.00 N ATOM 133 CA PHE X 9 -1.454 -2.248 -8.512 1.00 0.00 C ATOM 134 C PHE X 9 -0.426 -2.590 -9.551 1.00 0.00 C ATOM 135 O PHE X 9 -0.726 -2.601 -10.751 1.00 0.00 O ATOM 136 CB PHE X 9 -2.467 -3.376 -8.368 1.00 0.00 C ATOM 137 CG PHE X 9 -1.900 -4.490 -7.586 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.694 -4.309 -6.253 1.00 0.00 C ATOM 139 CD2 PHE X 9 -1.542 -5.688 -8.167 1.00 0.00 C ATOM 140 CE1 PHE X 9 -1.141 -5.282 -5.486 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.987 -6.685 -7.398 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.784 -6.471 -6.046 1.00 0.00 C ATOM 0 H PHE X 9 -2.915 -1.126 -9.442 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.952 -2.122 -7.553 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -3.367 -3.003 -7.879 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.765 -3.732 -9.354 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -1.976 -3.372 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -1.697 -5.844 -9.224 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -0.984 -5.114 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE X 9 -0.712 -7.628 -7.847 1.00 0.00 H new ATOM 0 HZ PHE X 9 -0.343 -7.246 -5.436 1.00 0.00 H new ATOM 152 N TYR X 10 0.781 -2.849 -9.117 1.00 0.00 N ATOM 153 CA TYR X 10 1.808 -3.194 -10.050 1.00 0.00 C ATOM 154 C TYR X 10 1.868 -4.705 -10.233 1.00 0.00 C ATOM 155 O TYR X 10 1.581 -5.204 -11.321 1.00 0.00 O ATOM 156 CB TYR X 10 3.175 -2.611 -9.635 1.00 0.00 C ATOM 157 CG TYR X 10 4.278 -2.777 -10.681 1.00 0.00 C ATOM 158 CD1 TYR X 10 4.490 -1.805 -11.651 1.00 0.00 C ATOM 159 CD2 TYR X 10 5.105 -3.895 -10.694 1.00 0.00 C ATOM 160 CE1 TYR X 10 5.484 -1.941 -12.600 1.00 0.00 C ATOM 161 CE2 TYR X 10 6.101 -4.035 -11.640 1.00 0.00 C ATOM 162 CZ TYR X 10 6.285 -3.056 -12.591 1.00 0.00 C ATOM 163 OH TYR X 10 7.273 -3.198 -13.537 1.00 0.00 O ATOM 0 H TYR X 10 1.068 -2.827 -8.139 1.00 0.00 H new ATOM 0 HA TYR X 10 1.559 -2.746 -11.012 1.00 0.00 H new ATOM 0 HB2 TYR X 10 3.053 -1.550 -9.419 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.494 -3.090 -8.709 1.00 0.00 H new ATOM 0 HD1 TYR X 10 3.864 -0.925 -11.663 1.00 0.00 H new ATOM 0 HD2 TYR X 10 4.966 -4.667 -9.952 1.00 0.00 H new ATOM 0 HE1 TYR X 10 5.631 -1.174 -13.346 1.00 0.00 H new ATOM 0 HE2 TYR X 10 6.734 -4.910 -11.634 1.00 0.00 H new ATOM 0 HH TYR X 10 7.749 -4.042 -13.389 1.00 0.00 H new ATOM 173 N ALA X 11 2.178 -5.437 -9.162 1.00 0.00 N ATOM 174 CA ALA X 11 2.383 -6.876 -9.250 1.00 0.00 C ATOM 175 C ALA X 11 2.606 -7.402 -7.873 1.00 0.00 C ATOM 176 O ALA X 11 2.794 -6.605 -6.947 1.00 0.00 O ATOM 177 CB ALA X 11 3.594 -7.204 -10.112 1.00 0.00 C ATOM 0 H ALA X 11 2.292 -5.053 -8.224 1.00 0.00 H new ATOM 0 HA ALA X 11 1.505 -7.334 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA X 11 3.724 -8.285 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA X 11 3.442 -6.811 -11.117 1.00 0.00 H new ATOM 0 HB3 ALA X 11 4.484 -6.751 -9.676 1.00 0.00 H new ATOM 183 N ASN X 12 2.492 -8.706 -7.668 1.00 0.00 N ATOM 184 CA ASN X 12 2.869 -9.188 -6.370 1.00 0.00 C ATOM 185 C ASN X 12 4.364 -9.391 -6.406 1.00 0.00 C ATOM 186 O ASN X 12 4.893 -10.195 -7.185 1.00 0.00 O ATOM 187 CB ASN X 12 2.173 -10.527 -5.992 1.00 0.00 C ATOM 188 CG ASN X 12 0.659 -10.437 -5.732 1.00 0.00 C ATOM 189 OD1 ASN X 12 -0.058 -9.682 -6.519 1.00 0.00 O flip ATOM 190 ND2 ASN X 12 0.129 -11.124 -4.852 1.00 0.00 N flip ATOM 0 H ASN X 12 2.164 -9.400 -8.339 1.00 0.00 H new ATOM 0 HA ASN X 12 2.561 -8.463 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN X 12 2.344 -11.244 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN X 12 2.654 -10.927 -5.099 1.00 0.00 H new ATOM 0 HD21 ASN X 12 0.704 -11.708 -4.246 1.00 0.00 H new ATOM 0 HD22 ASN X 12 -0.884 -11.107 -4.732 1.00 0.00 H new ATOM 197 N ARG X 13 5.013 -8.648 -5.579 1.00 0.00 N ATOM 198 CA ARG X 13 6.439 -8.622 -5.391 1.00 0.00 C ATOM 199 C ARG X 13 6.631 -8.131 -3.992 1.00 0.00 C ATOM 200 O ARG X 13 5.623 -7.824 -3.349 1.00 0.00 O ATOM 201 CB ARG X 13 7.184 -7.638 -6.317 1.00 0.00 C ATOM 202 CG ARG X 13 7.013 -7.785 -7.819 1.00 0.00 C ATOM 203 CD ARG X 13 7.914 -6.787 -8.534 1.00 0.00 C ATOM 204 NE ARG X 13 7.827 -6.875 -9.999 1.00 0.00 N ATOM 205 CZ ARG X 13 8.761 -6.421 -10.857 1.00 0.00 C ATOM 206 NH1 ARG X 13 9.926 -5.957 -10.400 1.00 0.00 N ATOM 207 NH2 ARG X 13 8.543 -6.466 -12.169 1.00 0.00 N ATOM 0 H ARG X 13 4.533 -7.989 -4.966 1.00 0.00 H new ATOM 0 HA ARG X 13 6.837 -9.614 -5.605 1.00 0.00 H new ATOM 0 HB2 ARG X 13 6.875 -6.629 -6.045 1.00 0.00 H new ATOM 0 HB3 ARG X 13 8.248 -7.716 -6.095 1.00 0.00 H new ATOM 0 HG2 ARG X 13 7.262 -8.801 -8.126 1.00 0.00 H new ATOM 0 HG3 ARG X 13 5.973 -7.615 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG X 13 7.648 -5.778 -8.221 1.00 0.00 H new ATOM 0 HD3 ARG X 13 8.946 -6.954 -8.227 1.00 0.00 H new ATOM 0 HE ARG X 13 6.996 -7.313 -10.396 1.00 0.00 H new ATOM 0 HH11 ARG X 13 10.112 -5.945 -9.397 1.00 0.00 H new ATOM 0 HH12 ARG X 13 10.630 -5.614 -11.054 1.00 0.00 H new ATOM 0 HH21 ARG X 13 7.667 -6.845 -12.528 1.00 0.00 H new ATOM 0 HH22 ARG X 13 9.252 -6.121 -12.816 1.00 0.00 H new ATOM 221 N LYS X 14 7.837 -8.227 -3.457 1.00 0.00 N ATOM 222 CA LYS X 14 8.234 -7.439 -2.316 1.00 0.00 C ATOM 223 C LYS X 14 9.751 -7.374 -2.113 1.00 0.00 C ATOM 224 O LYS X 14 10.458 -8.361 -2.257 1.00 0.00 O ATOM 225 CB LYS X 14 7.557 -7.838 -1.125 1.00 0.00 C ATOM 226 CG LYS X 14 7.569 -6.797 -0.057 1.00 0.00 C ATOM 227 CD LYS X 14 6.339 -7.012 0.691 1.00 0.00 C ATOM 228 CE LYS X 14 5.182 -6.164 0.145 1.00 0.00 C ATOM 229 NZ LYS X 14 4.811 -6.409 -1.273 1.00 0.00 N ATOM 0 H LYS X 14 8.563 -8.854 -3.805 1.00 0.00 H new ATOM 0 HA LYS X 14 7.921 -6.420 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS X 14 6.524 -8.085 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS X 14 8.020 -8.747 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS X 14 8.444 -6.899 0.584 1.00 0.00 H new ATOM 0 HG3 LYS X 14 7.602 -5.794 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS X 14 6.068 -8.067 0.648 1.00 0.00 H new ATOM 0 HD3 LYS X 14 6.505 -6.768 1.740 1.00 0.00 H new ATOM 0 HE2 LYS X 14 4.304 -6.340 0.766 1.00 0.00 H new ATOM 0 HE3 LYS X 14 5.445 -5.112 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 3.834 -6.093 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 5.454 -5.881 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 4.885 -7.425 -1.481 1.00 0.00 H new ATOM 243 N TYR X 15 10.241 -6.217 -1.738 1.00 0.00 N ATOM 244 CA TYR X 15 11.668 -5.980 -1.567 1.00 0.00 C ATOM 245 C TYR X 15 12.091 -6.348 -0.124 1.00 0.00 C ATOM 246 O TYR X 15 12.823 -5.614 0.537 1.00 0.00 O ATOM 247 CB TYR X 15 11.960 -4.500 -1.896 1.00 0.00 C ATOM 248 CG TYR X 15 13.414 -4.115 -2.188 1.00 0.00 C ATOM 249 CD1 TYR X 15 14.397 -5.067 -2.457 1.00 0.00 C ATOM 250 CD2 TYR X 15 13.783 -2.774 -2.221 1.00 0.00 C ATOM 251 CE1 TYR X 15 15.698 -4.687 -2.742 1.00 0.00 C ATOM 252 CE2 TYR X 15 15.077 -2.389 -2.500 1.00 0.00 C ATOM 253 CZ TYR X 15 16.032 -3.344 -2.761 1.00 0.00 C ATOM 254 OH TYR X 15 17.332 -2.954 -3.046 1.00 0.00 O ATOM 0 H TYR X 15 9.662 -5.401 -1.539 1.00 0.00 H new ATOM 0 HA TYR X 15 12.249 -6.607 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR X 15 11.358 -4.222 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR X 15 11.613 -3.894 -1.059 1.00 0.00 H new ATOM 0 HD1 TYR X 15 14.140 -6.116 -2.443 1.00 0.00 H new ATOM 0 HD2 TYR X 15 13.038 -2.017 -2.023 1.00 0.00 H new ATOM 0 HE1 TYR X 15 16.449 -5.435 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR X 15 15.340 -1.342 -2.514 1.00 0.00 H new ATOM 0 HH TYR X 15 17.394 -1.976 -3.019 1.00 0.00 H new ATOM 264 N THR X 16 11.582 -7.484 0.327 1.00 0.00 N ATOM 265 CA THR X 16 11.913 -8.157 1.587 1.00 0.00 C ATOM 266 C THR X 16 11.636 -7.443 2.945 1.00 0.00 C ATOM 267 O THR X 16 11.195 -8.104 3.901 1.00 0.00 O ATOM 268 CB THR X 16 13.297 -8.877 1.553 1.00 0.00 C ATOM 269 OG1 THR X 16 14.339 -8.014 1.034 1.00 0.00 O ATOM 270 CG2 THR X 16 13.213 -10.110 0.685 1.00 0.00 C ATOM 0 H THR X 16 10.881 -7.998 -0.207 1.00 0.00 H new ATOM 0 HA THR X 16 11.120 -8.904 1.603 1.00 0.00 H new ATOM 0 HB THR X 16 13.549 -9.148 2.578 1.00 0.00 H new ATOM 0 HG1 THR X 16 15.192 -8.497 1.029 1.00 0.00 H new ATOM 0 HG21 THR X 16 14.182 -10.608 0.665 1.00 0.00 H new ATOM 0 HG22 THR X 16 12.464 -10.790 1.090 1.00 0.00 H new ATOM 0 HG23 THR X 16 12.932 -9.823 -0.328 1.00 0.00 H new ATOM 278 N ASP X 17 11.850 -6.147 3.054 1.00 0.00 N ATOM 279 CA ASP X 17 11.702 -5.490 4.342 1.00 0.00 C ATOM 280 C ASP X 17 10.614 -4.460 4.351 1.00 0.00 C ATOM 281 O ASP X 17 10.061 -4.077 3.316 1.00 0.00 O ATOM 282 CB ASP X 17 13.007 -4.827 4.837 1.00 0.00 C ATOM 283 CG ASP X 17 13.449 -3.650 3.994 1.00 0.00 C ATOM 284 OD1 ASP X 17 12.845 -2.554 4.081 1.00 0.00 O ATOM 285 OD2 ASP X 17 14.399 -3.803 3.209 1.00 0.00 O ATOM 0 H ASP X 17 12.122 -5.536 2.284 1.00 0.00 H new ATOM 0 HA ASP X 17 11.434 -6.298 5.023 1.00 0.00 H new ATOM 0 HB2 ASP X 17 12.868 -4.494 5.865 1.00 0.00 H new ATOM 0 HB3 ASP X 17 13.802 -5.573 4.849 1.00 0.00 H new ATOM 290 N PHE X 18 10.347 -4.014 5.540 1.00 0.00 N ATOM 291 CA PHE X 18 9.381 -2.980 5.846 1.00 0.00 C ATOM 292 C PHE X 18 10.082 -1.883 6.665 1.00 0.00 C ATOM 293 O PHE X 18 9.453 -1.179 7.466 1.00 0.00 O ATOM 294 CB PHE X 18 8.203 -3.568 6.650 1.00 0.00 C ATOM 295 CG PHE X 18 7.442 -4.653 5.932 1.00 0.00 C ATOM 296 CD1 PHE X 18 6.478 -4.334 4.993 1.00 0.00 C ATOM 297 CD2 PHE X 18 7.700 -5.990 6.192 1.00 0.00 C ATOM 298 CE1 PHE X 18 5.781 -5.324 4.329 1.00 0.00 C ATOM 299 CE2 PHE X 18 7.009 -6.985 5.531 1.00 0.00 C ATOM 300 CZ PHE X 18 6.049 -6.650 4.599 1.00 0.00 C ATOM 0 H PHE X 18 10.816 -4.373 6.372 1.00 0.00 H new ATOM 0 HA PHE X 18 8.986 -2.560 4.921 1.00 0.00 H new ATOM 0 HB2 PHE X 18 8.584 -3.968 7.590 1.00 0.00 H new ATOM 0 HB3 PHE X 18 7.513 -2.763 6.903 1.00 0.00 H new ATOM 0 HD1 PHE X 18 6.268 -3.297 4.776 1.00 0.00 H new ATOM 0 HD2 PHE X 18 8.451 -6.256 6.921 1.00 0.00 H new ATOM 0 HE1 PHE X 18 5.028 -5.061 3.601 1.00 0.00 H new ATOM 0 HE2 PHE X 18 7.219 -8.023 5.743 1.00 0.00 H new ATOM 0 HZ PHE X 18 5.507 -7.427 4.080 1.00 0.00 H new ATOM 310 N ASP X 19 11.387 -1.697 6.380 1.00 0.00 N ATOM 311 CA ASP X 19 12.282 -0.708 7.068 1.00 0.00 C ATOM 312 C ASP X 19 11.752 0.717 6.941 1.00 0.00 C ATOM 313 O ASP X 19 12.047 1.585 7.743 1.00 0.00 O ATOM 314 CB ASP X 19 13.705 -0.805 6.465 1.00 0.00 C ATOM 315 CG ASP X 19 14.643 0.326 6.851 1.00 0.00 C ATOM 316 OD1 ASP X 19 15.247 0.283 7.939 1.00 0.00 O ATOM 317 OD2 ASP X 19 14.822 1.270 6.037 1.00 0.00 O ATOM 0 H ASP X 19 11.868 -2.231 5.657 1.00 0.00 H new ATOM 0 HA ASP X 19 12.310 -0.950 8.130 1.00 0.00 H new ATOM 0 HB2 ASP X 19 14.152 -1.750 6.776 1.00 0.00 H new ATOM 0 HB3 ASP X 19 13.622 -0.834 5.379 1.00 0.00 H new ATOM 322 N LYS X 20 10.923 0.900 5.961 1.00 0.00 N ATOM 323 CA LYS X 20 10.313 2.167 5.619 1.00 0.00 C ATOM 324 C LYS X 20 9.175 2.583 6.567 1.00 0.00 C ATOM 325 O LYS X 20 8.577 3.639 6.390 1.00 0.00 O ATOM 326 CB LYS X 20 9.925 2.257 4.114 1.00 0.00 C ATOM 327 CG LYS X 20 9.352 0.981 3.425 1.00 0.00 C ATOM 328 CD LYS X 20 10.409 -0.135 3.152 1.00 0.00 C ATOM 329 CE LYS X 20 11.692 0.419 2.520 1.00 0.00 C ATOM 330 NZ LYS X 20 12.681 -0.633 2.221 1.00 0.00 N ATOM 0 H LYS X 20 10.634 0.141 5.344 1.00 0.00 H new ATOM 0 HA LYS X 20 11.089 2.916 5.775 1.00 0.00 H new ATOM 0 HB2 LYS X 20 9.188 3.053 4.007 1.00 0.00 H new ATOM 0 HB3 LYS X 20 10.811 2.566 3.559 1.00 0.00 H new ATOM 0 HG2 LYS X 20 8.560 0.569 4.051 1.00 0.00 H new ATOM 0 HG3 LYS X 20 8.893 1.269 2.479 1.00 0.00 H new ATOM 0 HD2 LYS X 20 10.655 -0.636 4.088 1.00 0.00 H new ATOM 0 HD3 LYS X 20 9.977 -0.887 2.492 1.00 0.00 H new ATOM 0 HE2 LYS X 20 11.440 0.947 1.600 1.00 0.00 H new ATOM 0 HE3 LYS X 20 12.138 1.150 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 13.641 -0.251 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 12.544 -1.433 2.872 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 12.556 -0.958 1.241 1.00 0.00 H new ATOM 344 N SER X 21 8.883 1.721 7.546 1.00 0.00 N ATOM 345 CA SER X 21 7.936 1.989 8.626 1.00 0.00 C ATOM 346 C SER X 21 6.472 1.901 8.209 1.00 0.00 C ATOM 347 O SER X 21 5.863 2.845 7.636 1.00 0.00 O ATOM 348 CB SER X 21 8.274 3.279 9.367 1.00 0.00 C ATOM 349 OG SER X 21 9.602 3.223 9.887 1.00 0.00 O ATOM 0 H SER X 21 9.310 0.797 7.608 1.00 0.00 H new ATOM 0 HA SER X 21 8.058 1.173 9.338 1.00 0.00 H new ATOM 0 HB2 SER X 21 8.177 4.129 8.692 1.00 0.00 H new ATOM 0 HB3 SER X 21 7.565 3.435 10.180 1.00 0.00 H new ATOM 0 HG SER X 21 9.804 4.058 10.358 1.00 0.00 H new ATOM 355 N PHE X 22 5.920 0.738 8.465 1.00 0.00 N ATOM 356 CA PHE X 22 4.554 0.420 8.141 1.00 0.00 C ATOM 357 C PHE X 22 3.851 0.040 9.395 1.00 0.00 C ATOM 358 O PHE X 22 4.473 -0.479 10.319 1.00 0.00 O ATOM 359 CB PHE X 22 4.485 -0.782 7.182 1.00 0.00 C ATOM 360 CG PHE X 22 4.899 -0.486 5.782 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.592 0.649 5.485 1.00 0.00 C ATOM 362 CD2 PHE X 22 4.585 -1.341 4.769 1.00 0.00 C ATOM 363 CE1 PHE X 22 5.975 0.937 4.245 1.00 0.00 C ATOM 364 CE2 PHE X 22 4.962 -1.059 3.492 1.00 0.00 C ATOM 365 CZ PHE X 22 5.665 0.082 3.219 1.00 0.00 C ATOM 0 H PHE X 22 6.421 -0.028 8.914 1.00 0.00 H new ATOM 0 HA PHE X 22 4.095 1.288 7.667 1.00 0.00 H new ATOM 0 HB2 PHE X 22 5.118 -1.578 7.573 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.464 -1.163 7.172 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.838 1.336 6.281 1.00 0.00 H new ATOM 0 HD2 PHE X 22 4.035 -2.246 4.980 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.529 1.842 4.046 1.00 0.00 H new ATOM 0 HE2 PHE X 22 4.705 -1.738 2.692 1.00 0.00 H new ATOM 0 HZ PHE X 22 5.972 0.307 2.208 1.00 0.00 H new ATOM 375 N LYS X 23 2.596 0.261 9.445 1.00 0.00 N ATOM 376 CA LYS X 23 1.830 -0.144 10.586 1.00 0.00 C ATOM 377 C LYS X 23 0.901 -1.237 10.106 1.00 0.00 C ATOM 378 O LYS X 23 0.367 -1.135 8.998 1.00 0.00 O ATOM 379 CB LYS X 23 1.077 1.070 11.163 1.00 0.00 C ATOM 380 CG LYS X 23 0.331 0.814 12.472 1.00 0.00 C ATOM 381 CD LYS X 23 -0.335 2.090 13.020 1.00 0.00 C ATOM 382 CE LYS X 23 0.692 3.167 13.385 1.00 0.00 C ATOM 383 NZ LYS X 23 0.060 4.392 13.938 1.00 0.00 N ATOM 0 H LYS X 23 2.061 0.723 8.710 1.00 0.00 H new ATOM 0 HA LYS X 23 2.452 -0.525 11.396 1.00 0.00 H new ATOM 0 HB2 LYS X 23 1.792 1.877 11.323 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.362 1.420 10.419 1.00 0.00 H new ATOM 0 HG2 LYS X 23 -0.429 0.049 12.312 1.00 0.00 H new ATOM 0 HG3 LYS X 23 1.026 0.422 13.214 1.00 0.00 H new ATOM 0 HD2 LYS X 23 -1.025 2.486 12.275 1.00 0.00 H new ATOM 0 HD3 LYS X 23 -0.926 1.840 13.901 1.00 0.00 H new ATOM 0 HE2 LYS X 23 1.393 2.763 14.115 1.00 0.00 H new ATOM 0 HE3 LYS X 23 1.270 3.429 12.499 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 0.797 5.089 14.169 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 -0.590 4.796 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 -0.470 4.151 14.800 1.00 0.00 H new ATOM 397 N LYS X 24 0.749 -2.291 10.874 1.00 0.00 N ATOM 398 CA LYS X 24 -0.068 -3.397 10.441 1.00 0.00 C ATOM 399 C LYS X 24 -1.176 -3.652 11.427 1.00 0.00 C ATOM 400 O LYS X 24 -0.967 -3.730 12.649 1.00 0.00 O ATOM 401 CB LYS X 24 0.776 -4.680 10.190 1.00 0.00 C ATOM 402 CG LYS X 24 0.736 -5.727 11.309 1.00 0.00 C ATOM 403 CD LYS X 24 1.472 -6.998 10.950 1.00 0.00 C ATOM 404 CE LYS X 24 1.359 -8.038 12.062 1.00 0.00 C ATOM 405 NZ LYS X 24 -0.046 -8.435 12.324 1.00 0.00 N ATOM 0 H LYS X 24 1.177 -2.404 11.793 1.00 0.00 H new ATOM 0 HA LYS X 24 -0.516 -3.124 9.486 1.00 0.00 H new ATOM 0 HB2 LYS X 24 0.430 -5.146 9.268 1.00 0.00 H new ATOM 0 HB3 LYS X 24 1.813 -4.386 10.029 1.00 0.00 H new ATOM 0 HG2 LYS X 24 1.173 -5.303 12.213 1.00 0.00 H new ATOM 0 HG3 LYS X 24 -0.302 -5.967 11.539 1.00 0.00 H new ATOM 0 HD2 LYS X 24 1.066 -7.407 10.025 1.00 0.00 H new ATOM 0 HD3 LYS X 24 2.522 -6.773 10.765 1.00 0.00 H new ATOM 0 HE2 LYS X 24 1.939 -8.920 11.791 1.00 0.00 H new ATOM 0 HE3 LYS X 24 1.797 -7.638 12.976 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 -0.061 -9.316 12.876 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 -0.525 -7.683 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 -0.539 -8.585 11.420 1.00 0.00 H new ATOM 419 N SER X 25 -2.341 -3.610 10.924 1.00 0.00 N ATOM 420 CA SER X 25 -3.528 -3.993 11.604 1.00 0.00 C ATOM 421 C SER X 25 -4.409 -4.399 10.487 1.00 0.00 C ATOM 422 O SER X 25 -4.472 -3.652 9.524 1.00 0.00 O ATOM 423 CB SER X 25 -4.134 -2.779 12.311 1.00 0.00 C ATOM 424 OG SER X 25 -3.150 -2.104 13.081 1.00 0.00 O ATOM 0 H SER X 25 -2.514 -3.290 9.971 1.00 0.00 H new ATOM 0 HA SER X 25 -3.375 -4.764 12.359 1.00 0.00 H new ATOM 0 HB2 SER X 25 -4.558 -2.097 11.574 1.00 0.00 H new ATOM 0 HB3 SER X 25 -4.952 -3.099 12.957 1.00 0.00 H new ATOM 0 HG SER X 25 -2.939 -1.244 12.661 1.00 0.00 H new ATOM 430 N SER X 26 -5.058 -5.511 10.517 1.00 0.00 N ATOM 431 CA SER X 26 -5.850 -5.770 9.375 1.00 0.00 C ATOM 432 C SER X 26 -7.291 -5.416 9.634 1.00 0.00 C ATOM 433 O SER X 26 -8.035 -6.126 10.298 1.00 0.00 O ATOM 434 CB SER X 26 -5.651 -7.205 8.942 1.00 0.00 C ATOM 435 OG SER X 26 -4.258 -7.443 8.741 1.00 0.00 O ATOM 0 H SER X 26 -5.060 -6.208 11.262 1.00 0.00 H new ATOM 0 HA SER X 26 -5.534 -5.136 8.547 1.00 0.00 H new ATOM 0 HB2 SER X 26 -6.043 -7.884 9.699 1.00 0.00 H new ATOM 0 HB3 SER X 26 -6.202 -7.400 8.022 1.00 0.00 H new ATOM 0 HG SER X 26 -4.018 -8.315 9.117 1.00 0.00 H new ATOM 441 N ASP X 27 -7.608 -4.235 9.173 1.00 0.00 N ATOM 442 CA ASP X 27 -8.924 -3.645 9.128 1.00 0.00 C ATOM 443 C ASP X 27 -9.085 -3.086 7.796 1.00 0.00 C ATOM 444 O ASP X 27 -8.337 -2.191 7.451 1.00 0.00 O ATOM 445 CB ASP X 27 -9.054 -2.565 10.147 1.00 0.00 C ATOM 446 CG ASP X 27 -8.999 -3.056 11.575 1.00 0.00 C ATOM 447 OD1 ASP X 27 -9.807 -3.942 11.951 1.00 0.00 O ATOM 448 OD2 ASP X 27 -8.160 -2.549 12.361 1.00 0.00 O ATOM 0 H ASP X 27 -6.899 -3.611 8.789 1.00 0.00 H new ATOM 0 HA ASP X 27 -9.687 -4.393 9.343 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -8.257 -1.837 9.993 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -9.998 -2.043 9.989 1.00 0.00 H new ATOM 453 N LEU X 28 -10.006 -3.552 7.027 1.00 0.00 N ATOM 454 CA LEU X 28 -10.112 -3.046 5.671 1.00 0.00 C ATOM 455 C LEU X 28 -10.492 -1.557 5.710 1.00 0.00 C ATOM 456 O LEU X 28 -9.808 -0.739 5.104 1.00 0.00 O ATOM 457 CB LEU X 28 -11.126 -3.912 4.871 1.00 0.00 C ATOM 458 CG LEU X 28 -11.190 -3.765 3.324 1.00 0.00 C ATOM 459 CD1 LEU X 28 -12.060 -4.862 2.745 1.00 0.00 C ATOM 460 CD2 LEU X 28 -11.753 -2.421 2.893 1.00 0.00 C ATOM 0 H LEU X 28 -10.688 -4.264 7.288 1.00 0.00 H new ATOM 0 HA LEU X 28 -9.155 -3.119 5.155 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -10.912 -4.958 5.093 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -12.121 -3.700 5.263 1.00 0.00 H new ATOM 0 HG LEU X 28 -10.168 -3.840 2.952 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -12.104 -4.758 1.661 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -11.637 -5.834 2.999 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -13.066 -4.785 3.158 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -11.777 -2.369 1.805 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -12.764 -2.308 3.284 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -11.122 -1.621 3.281 1.00 0.00 H new ATOM 472 N ASP X 29 -11.518 -1.215 6.472 1.00 0.00 N ATOM 473 CA ASP X 29 -11.929 0.187 6.619 1.00 0.00 C ATOM 474 C ASP X 29 -10.834 0.981 7.282 1.00 0.00 C ATOM 475 O ASP X 29 -10.361 2.009 6.771 1.00 0.00 O ATOM 476 CB ASP X 29 -13.142 0.325 7.538 1.00 0.00 C ATOM 477 CG ASP X 29 -14.365 -0.425 7.123 1.00 0.00 C ATOM 478 OD1 ASP X 29 -14.511 -1.590 7.540 1.00 0.00 O ATOM 479 OD2 ASP X 29 -15.239 0.148 6.441 1.00 0.00 O ATOM 0 H ASP X 29 -12.084 -1.879 6.999 1.00 0.00 H new ATOM 0 HA ASP X 29 -12.156 0.547 5.615 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.857 -0.008 8.536 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -13.397 1.382 7.615 1.00 0.00 H new ATOM 484 N GLU X 30 -10.387 0.440 8.409 1.00 0.00 N ATOM 485 CA GLU X 30 -9.461 1.108 9.273 1.00 0.00 C ATOM 486 C GLU X 30 -8.136 1.373 8.648 1.00 0.00 C ATOM 487 O GLU X 30 -7.549 2.378 8.889 1.00 0.00 O ATOM 488 CB GLU X 30 -9.384 0.588 10.722 1.00 0.00 C ATOM 489 CG GLU X 30 -10.661 0.769 11.565 1.00 0.00 C ATOM 490 CD GLU X 30 -11.898 0.121 10.973 1.00 0.00 C ATOM 491 OE1 GLU X 30 -11.894 -1.097 10.724 1.00 0.00 O ATOM 492 OE2 GLU X 30 -12.899 0.822 10.752 1.00 0.00 O ATOM 0 H GLU X 30 -10.668 -0.483 8.739 1.00 0.00 H new ATOM 0 HA GLU X 30 -9.920 2.088 9.403 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -9.136 -0.473 10.695 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -8.562 1.095 11.227 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -10.488 0.354 12.558 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -10.850 1.835 11.693 1.00 0.00 H new ATOM 499 N CYS X 31 -7.637 0.445 7.895 1.00 0.00 N ATOM 500 CA CYS X 31 -6.321 0.611 7.270 1.00 0.00 C ATOM 501 C CYS X 31 -6.226 1.827 6.418 1.00 0.00 C ATOM 502 O CYS X 31 -5.271 2.587 6.543 1.00 0.00 O ATOM 503 CB CYS X 31 -5.943 -0.574 6.400 1.00 0.00 C ATOM 504 SG CYS X 31 -5.347 -2.026 7.223 1.00 0.00 S ATOM 0 H CYS X 31 -8.101 -0.439 7.686 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.636 0.701 8.113 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.817 -0.854 5.812 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -5.177 -0.246 5.697 1.00 0.00 H new ATOM 509 N LYS X 32 -7.173 1.995 5.556 1.00 0.00 N ATOM 510 CA LYS X 32 -7.141 3.071 4.608 1.00 0.00 C ATOM 511 C LYS X 32 -7.214 4.322 5.378 1.00 0.00 C ATOM 512 O LYS X 32 -6.406 5.198 5.227 1.00 0.00 O ATOM 513 CB LYS X 32 -8.259 2.966 3.537 1.00 0.00 C ATOM 514 CG LYS X 32 -8.240 1.716 2.618 1.00 0.00 C ATOM 515 CD LYS X 32 -7.693 0.440 3.268 1.00 0.00 C ATOM 516 CE LYS X 32 -7.811 -0.766 2.336 1.00 0.00 C ATOM 517 NZ LYS X 32 -6.836 -1.862 2.648 1.00 0.00 N ATOM 0 H LYS X 32 -7.993 1.393 5.485 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.217 3.033 4.031 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.221 2.996 4.048 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -8.206 3.852 2.904 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -9.256 1.523 2.272 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -7.641 1.942 1.736 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -6.648 0.589 3.539 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -8.237 0.241 4.192 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -8.824 -1.164 2.396 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -7.659 -0.437 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -6.948 -2.633 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -5.866 -1.489 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -7.017 -2.225 3.606 1.00 0.00 H new ATOM 531 N LYS X 33 -8.124 4.300 6.331 1.00 0.00 N ATOM 532 CA LYS X 33 -8.374 5.413 7.176 1.00 0.00 C ATOM 533 C LYS X 33 -7.106 5.770 8.001 1.00 0.00 C ATOM 534 O LYS X 33 -6.764 6.940 8.138 1.00 0.00 O ATOM 535 CB LYS X 33 -9.620 5.159 8.050 1.00 0.00 C ATOM 536 CG LYS X 33 -9.320 4.720 9.449 1.00 0.00 C ATOM 537 CD LYS X 33 -10.597 4.488 10.255 1.00 0.00 C ATOM 538 CE LYS X 33 -11.415 5.764 10.450 1.00 0.00 C ATOM 539 NZ LYS X 33 -12.738 5.467 11.014 1.00 0.00 N ATOM 0 H LYS X 33 -8.710 3.489 6.530 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.598 6.288 6.565 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -10.213 6.073 8.089 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -10.236 4.400 7.569 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.733 3.802 9.424 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -8.709 5.475 9.944 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -11.210 3.743 9.749 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -10.336 4.077 11.230 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -10.879 6.445 11.112 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -11.531 6.274 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -13.081 6.291 11.547 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -13.403 5.252 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -12.668 4.648 11.651 1.00 0.00 H new ATOM 553 N THR X 34 -6.420 4.737 8.552 1.00 0.00 N ATOM 554 CA THR X 34 -5.209 4.943 9.305 1.00 0.00 C ATOM 555 C THR X 34 -4.152 5.543 8.406 1.00 0.00 C ATOM 556 O THR X 34 -3.419 6.439 8.810 1.00 0.00 O ATOM 557 CB THR X 34 -4.704 3.666 10.008 1.00 0.00 C ATOM 558 OG1 THR X 34 -5.799 3.061 10.728 1.00 0.00 O ATOM 559 CG2 THR X 34 -3.617 4.024 11.017 1.00 0.00 C ATOM 0 H THR X 34 -6.705 3.761 8.475 1.00 0.00 H new ATOM 0 HA THR X 34 -5.435 5.642 10.110 1.00 0.00 H new ATOM 0 HB THR X 34 -4.307 2.982 9.258 1.00 0.00 H new ATOM 0 HG1 THR X 34 -6.319 2.496 10.119 1.00 0.00 H new ATOM 0 HG21 THR X 34 -3.265 3.118 11.510 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.785 4.503 10.501 1.00 0.00 H new ATOM 0 HG23 THR X 34 -4.023 4.708 11.762 1.00 0.00 H new ATOM 567 N CYS X 35 -4.071 5.020 7.170 1.00 0.00 N ATOM 568 CA CYS X 35 -3.152 5.572 6.199 1.00 0.00 C ATOM 569 C CYS X 35 -3.473 7.025 5.965 1.00 0.00 C ATOM 570 O CYS X 35 -2.575 7.872 6.107 1.00 0.00 O ATOM 571 CB CYS X 35 -3.189 4.796 4.869 1.00 0.00 C ATOM 572 SG CYS X 35 -2.101 5.459 3.545 1.00 0.00 S ATOM 0 H CYS X 35 -4.626 4.231 6.838 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.143 5.480 6.601 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -2.908 3.761 5.063 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -4.215 4.785 4.502 1.00 0.00 H new ATOM 577 N PHE X 36 -4.786 7.341 5.800 1.00 0.00 N ATOM 578 CA PHE X 36 -5.236 8.684 5.410 1.00 0.00 C ATOM 579 C PHE X 36 -4.822 9.617 6.484 1.00 0.00 C ATOM 580 O PHE X 36 -4.501 10.780 6.224 1.00 0.00 O ATOM 581 CB PHE X 36 -6.788 8.810 5.283 1.00 0.00 C ATOM 582 CG PHE X 36 -7.509 7.909 4.299 1.00 0.00 C ATOM 583 CD1 PHE X 36 -6.891 7.422 3.167 1.00 0.00 C ATOM 584 CD2 PHE X 36 -8.838 7.569 4.520 1.00 0.00 C ATOM 585 CE1 PHE X 36 -7.581 6.611 2.281 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.527 6.759 3.637 1.00 0.00 C ATOM 587 CZ PHE X 36 -8.893 6.279 2.514 1.00 0.00 C ATOM 0 H PHE X 36 -5.545 6.673 5.934 1.00 0.00 H new ATOM 0 HA PHE X 36 -4.799 8.902 4.436 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.217 8.634 6.270 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -7.016 9.842 5.016 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -5.860 7.675 2.969 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -9.342 7.945 5.398 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -7.083 6.236 1.399 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.559 6.504 3.828 1.00 0.00 H new ATOM 0 HZ PHE X 36 -9.424 5.645 1.820 1.00 0.00 H new ATOM 597 N LYS X 37 -4.875 9.122 7.691 1.00 0.00 N ATOM 598 CA LYS X 37 -4.423 9.850 8.811 1.00 0.00 C ATOM 599 C LYS X 37 -2.985 10.416 8.777 1.00 0.00 C ATOM 600 O LYS X 37 -2.844 11.548 9.272 1.00 0.00 O ATOM 601 CB LYS X 37 -4.692 9.140 10.130 1.00 0.00 C ATOM 602 CG LYS X 37 -6.132 9.201 10.599 1.00 0.00 C ATOM 603 CD LYS X 37 -6.570 10.641 10.857 1.00 0.00 C ATOM 604 CE LYS X 37 -7.955 10.709 11.474 1.00 0.00 C ATOM 605 NZ LYS X 37 -8.988 10.097 10.618 1.00 0.00 N ATOM 0 H LYS X 37 -5.238 8.194 7.910 1.00 0.00 H new ATOM 0 HA LYS X 37 -5.048 10.740 8.738 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -4.400 8.094 10.030 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -4.055 9.577 10.899 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -6.781 8.750 9.848 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -6.245 8.615 11.511 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -5.853 11.125 11.520 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -6.563 11.196 9.919 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -7.943 10.205 12.440 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -8.214 11.751 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -9.928 10.274 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -8.941 10.513 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -8.825 9.072 10.556 1.00 0.00 H new ATOM 619 N THR X 38 -1.857 9.684 8.332 1.00 0.00 N ATOM 620 CA THR X 38 -0.611 10.428 8.575 1.00 0.00 C ATOM 621 C THR X 38 -0.406 11.665 7.597 1.00 0.00 C ATOM 622 O THR X 38 -1.376 12.232 7.090 1.00 0.00 O ATOM 623 CB THR X 38 0.557 9.405 8.433 1.00 0.00 C ATOM 624 OG1 THR X 38 0.085 8.118 8.882 1.00 0.00 O ATOM 625 CG2 THR X 38 1.753 9.774 9.324 1.00 0.00 C ATOM 0 H THR X 38 -1.814 8.764 7.893 1.00 0.00 H new ATOM 0 HA THR X 38 -0.647 10.867 9.572 1.00 0.00 H new ATOM 0 HB THR X 38 0.873 9.401 7.390 1.00 0.00 H new ATOM 0 HG1 THR X 38 0.785 7.678 9.408 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.544 9.036 9.195 1.00 0.00 H new ATOM 0 HG22 THR X 38 2.126 10.759 9.043 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.438 9.790 10.367 1.00 0.00 H new ATOM 633 N GLU X 39 0.831 12.034 7.253 1.00 0.00 N ATOM 634 CA GLU X 39 1.113 12.911 6.143 1.00 0.00 C ATOM 635 C GLU X 39 1.096 12.262 4.828 1.00 0.00 C ATOM 636 O GLU X 39 0.359 12.586 3.906 1.00 0.00 O ATOM 637 CB GLU X 39 2.328 13.823 6.354 1.00 0.00 C ATOM 638 CG GLU X 39 2.192 14.823 7.513 1.00 0.00 C ATOM 639 CD GLU X 39 2.142 14.162 8.872 1.00 0.00 C ATOM 640 OE1 GLU X 39 3.197 13.677 9.340 1.00 0.00 O ATOM 641 OE2 GLU X 39 1.058 14.104 9.481 1.00 0.00 O ATOM 0 H GLU X 39 1.665 11.722 7.751 1.00 0.00 H new ATOM 0 HA GLU X 39 0.253 13.581 6.128 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.205 13.200 6.531 1.00 0.00 H new ATOM 0 HB3 GLU X 39 2.512 14.378 5.434 1.00 0.00 H new ATOM 0 HG2 GLU X 39 3.032 15.517 7.485 1.00 0.00 H new ATOM 0 HG3 GLU X 39 1.287 15.413 7.370 1.00 0.00 H new ATOM 648 N TYR X 40 1.945 11.266 4.828 1.00 0.00 N ATOM 649 CA TYR X 40 2.414 10.592 3.675 1.00 0.00 C ATOM 650 C TYR X 40 1.395 9.845 2.945 1.00 0.00 C ATOM 651 O TYR X 40 1.459 9.846 1.739 1.00 0.00 O ATOM 652 CB TYR X 40 3.646 9.729 3.988 1.00 0.00 C ATOM 653 CG TYR X 40 4.789 10.524 4.579 1.00 0.00 C ATOM 654 CD1 TYR X 40 5.686 11.185 3.762 1.00 0.00 C ATOM 655 CD2 TYR X 40 4.974 10.604 5.951 1.00 0.00 C ATOM 656 CE1 TYR X 40 6.737 11.902 4.292 1.00 0.00 C ATOM 657 CE2 TYR X 40 6.020 11.319 6.486 1.00 0.00 C ATOM 658 CZ TYR X 40 6.901 11.966 5.651 1.00 0.00 C ATOM 659 OH TYR X 40 7.957 12.684 6.181 1.00 0.00 O ATOM 0 H TYR X 40 2.342 10.893 5.690 1.00 0.00 H new ATOM 0 HA TYR X 40 2.716 11.383 2.989 1.00 0.00 H new ATOM 0 HB2 TYR X 40 3.362 8.939 4.683 1.00 0.00 H new ATOM 0 HB3 TYR X 40 3.984 9.242 3.073 1.00 0.00 H new ATOM 0 HD1 TYR X 40 5.562 11.139 2.690 1.00 0.00 H new ATOM 0 HD2 TYR X 40 4.285 10.096 6.610 1.00 0.00 H new ATOM 0 HE1 TYR X 40 7.429 12.412 3.638 1.00 0.00 H new ATOM 0 HE2 TYR X 40 6.149 11.372 7.557 1.00 0.00 H new ATOM 0 HH TYR X 40 7.931 12.631 7.159 1.00 0.00 H new ATOM 669 N CYS X 41 0.401 9.286 3.686 1.00 0.00 N ATOM 670 CA CYS X 41 -0.544 8.223 3.123 1.00 0.00 C ATOM 671 C CYS X 41 -0.473 7.996 1.603 1.00 0.00 C ATOM 672 O CYS X 41 -1.080 8.773 0.837 1.00 0.00 O ATOM 673 CB CYS X 41 -1.972 8.505 3.422 1.00 0.00 C ATOM 674 SG CYS X 41 -3.061 7.143 2.864 1.00 0.00 S ATOM 0 H CYS X 41 0.217 9.532 4.658 1.00 0.00 H new ATOM 0 HA CYS X 41 -0.184 7.329 3.631 1.00 0.00 H new ATOM 0 HB2 CYS X 41 -2.097 8.655 4.494 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -2.270 9.433 2.934 1.00 0.00 H new ATOM 679 N TYR X 42 0.256 6.954 1.165 1.00 0.00 N ATOM 680 CA TYR X 42 0.359 6.671 -0.274 1.00 0.00 C ATOM 681 C TYR X 42 0.835 5.265 -0.667 1.00 0.00 C ATOM 682 O TYR X 42 0.693 4.888 -1.817 1.00 0.00 O ATOM 683 CB TYR X 42 1.116 7.768 -1.090 1.00 0.00 C ATOM 684 CG TYR X 42 2.511 8.166 -0.625 1.00 0.00 C ATOM 685 CD1 TYR X 42 3.209 7.454 0.337 1.00 0.00 C ATOM 686 CD2 TYR X 42 3.113 9.292 -1.160 1.00 0.00 C ATOM 687 CE1 TYR X 42 4.457 7.851 0.744 1.00 0.00 C ATOM 688 CE2 TYR X 42 4.358 9.693 -0.756 1.00 0.00 C ATOM 689 CZ TYR X 42 5.027 8.971 0.194 1.00 0.00 C ATOM 690 OH TYR X 42 6.283 9.364 0.596 1.00 0.00 O ATOM 0 H TYR X 42 0.769 6.311 1.769 1.00 0.00 H new ATOM 0 HA TYR X 42 -0.691 6.702 -0.565 1.00 0.00 H new ATOM 0 HB2 TYR X 42 1.193 7.424 -2.122 1.00 0.00 H new ATOM 0 HB3 TYR X 42 0.497 8.665 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR X 42 2.763 6.572 0.773 1.00 0.00 H new ATOM 0 HD2 TYR X 42 2.590 9.865 -1.911 1.00 0.00 H new ATOM 0 HE1 TYR X 42 4.989 7.284 1.494 1.00 0.00 H new ATOM 0 HE2 TYR X 42 4.810 10.575 -1.185 1.00 0.00 H new ATOM 0 HH TYR X 42 6.311 10.340 0.675 1.00 0.00 H new ATOM 700 N ILE X 43 1.392 4.473 0.232 1.00 0.00 N ATOM 701 CA ILE X 43 1.834 3.155 -0.219 1.00 0.00 C ATOM 702 C ILE X 43 1.227 2.148 0.718 1.00 0.00 C ATOM 703 O ILE X 43 1.090 2.428 1.906 1.00 0.00 O ATOM 704 CB ILE X 43 3.398 2.965 -0.214 1.00 0.00 C ATOM 705 CG1 ILE X 43 4.167 4.187 -0.794 1.00 0.00 C ATOM 706 CG2 ILE X 43 3.772 1.702 -0.986 1.00 0.00 C ATOM 707 CD1 ILE X 43 3.924 4.491 -2.254 1.00 0.00 C ATOM 0 H ILE X 43 1.545 4.692 1.216 1.00 0.00 H new ATOM 0 HA ILE X 43 1.517 3.032 -1.254 1.00 0.00 H new ATOM 0 HB ILE X 43 3.698 2.872 0.830 1.00 0.00 H new ATOM 0 HG12 ILE X 43 3.901 5.069 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE X 43 5.235 4.020 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE X 43 4.855 1.578 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.304 0.837 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.424 1.789 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE X 43 4.511 5.361 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE X 43 4.220 3.633 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE X 43 2.865 4.698 -2.411 1.00 0.00 H new ATOM 719 N VAL X 44 0.784 1.038 0.222 1.00 0.00 N ATOM 720 CA VAL X 44 0.241 0.028 1.087 1.00 0.00 C ATOM 721 C VAL X 44 0.773 -1.315 0.617 1.00 0.00 C ATOM 722 O VAL X 44 0.952 -1.520 -0.590 1.00 0.00 O ATOM 723 CB VAL X 44 -1.302 -0.016 1.026 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.925 -0.819 2.160 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.963 1.351 0.841 1.00 0.00 C ATOM 0 H VAL X 44 0.785 0.804 -0.771 1.00 0.00 H new ATOM 0 HA VAL X 44 0.533 0.254 2.113 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.520 -0.562 0.108 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -3.010 -0.810 2.059 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.565 -1.847 2.118 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.646 -0.375 3.116 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -3.046 1.230 0.808 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.695 2.000 1.674 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.620 1.798 -0.092 1.00 0.00 H new ATOM 735 N PHE X 45 1.044 -2.208 1.526 1.00 0.00 N ATOM 736 CA PHE X 45 1.466 -3.539 1.168 1.00 0.00 C ATOM 737 C PHE X 45 0.629 -4.509 1.968 1.00 0.00 C ATOM 738 O PHE X 45 0.538 -4.384 3.175 1.00 0.00 O ATOM 739 CB PHE X 45 2.962 -3.784 1.517 1.00 0.00 C ATOM 740 CG PHE X 45 4.027 -3.053 0.689 1.00 0.00 C ATOM 741 CD1 PHE X 45 3.731 -2.427 -0.501 1.00 0.00 C ATOM 742 CD2 PHE X 45 5.347 -3.034 1.120 1.00 0.00 C ATOM 743 CE1 PHE X 45 4.711 -1.795 -1.235 1.00 0.00 C ATOM 744 CE2 PHE X 45 6.328 -2.411 0.388 1.00 0.00 C ATOM 745 CZ PHE X 45 6.008 -1.790 -0.789 1.00 0.00 C ATOM 0 H PHE X 45 0.980 -2.039 2.530 1.00 0.00 H new ATOM 0 HA PHE X 45 1.343 -3.672 0.093 1.00 0.00 H new ATOM 0 HB2 PHE X 45 3.109 -3.513 2.563 1.00 0.00 H new ATOM 0 HB3 PHE X 45 3.152 -4.854 1.435 1.00 0.00 H new ATOM 0 HD1 PHE X 45 2.714 -2.431 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE X 45 5.607 -3.519 2.049 1.00 0.00 H new ATOM 0 HE1 PHE X 45 4.458 -1.303 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE X 45 7.349 -2.411 0.740 1.00 0.00 H new ATOM 0 HZ PHE X 45 6.776 -1.297 -1.366 1.00 0.00 H new ATOM 755 N GLU X 46 0.063 -5.482 1.345 1.00 0.00 N ATOM 756 CA GLU X 46 -0.714 -6.426 2.094 1.00 0.00 C ATOM 757 C GLU X 46 -0.177 -7.808 1.874 1.00 0.00 C ATOM 758 O GLU X 46 0.509 -8.066 0.888 1.00 0.00 O ATOM 759 CB GLU X 46 -2.215 -6.395 1.744 1.00 0.00 C ATOM 760 CG GLU X 46 -2.925 -5.045 1.900 1.00 0.00 C ATOM 761 CD GLU X 46 -4.448 -5.196 1.887 1.00 0.00 C ATOM 762 OE1 GLU X 46 -4.955 -6.260 1.378 1.00 0.00 O ATOM 763 OE2 GLU X 46 -5.170 -4.258 2.351 1.00 0.00 O ATOM 0 H GLU X 46 0.116 -5.650 0.340 1.00 0.00 H new ATOM 0 HA GLU X 46 -0.628 -6.141 3.143 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -2.332 -6.725 0.712 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -2.727 -7.125 2.371 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -2.615 -4.577 2.834 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -2.619 -4.379 1.093 1.00 0.00 H new ATOM 770 N ASP X 47 -0.433 -8.663 2.808 1.00 0.00 N ATOM 771 CA ASP X 47 -0.095 -10.067 2.703 1.00 0.00 C ATOM 772 C ASP X 47 -1.253 -10.713 2.016 1.00 0.00 C ATOM 773 O ASP X 47 -2.364 -10.614 2.514 1.00 0.00 O ATOM 774 CB ASP X 47 0.060 -10.670 4.096 1.00 0.00 C ATOM 775 CG ASP X 47 0.419 -12.143 4.101 1.00 0.00 C ATOM 776 OD1 ASP X 47 -0.437 -12.980 3.740 1.00 0.00 O ATOM 777 OD2 ASP X 47 1.514 -12.492 4.558 1.00 0.00 O ATOM 0 H ASP X 47 -0.890 -8.414 3.685 1.00 0.00 H new ATOM 0 HA ASP X 47 0.840 -10.213 2.162 1.00 0.00 H new ATOM 0 HB2 ASP X 47 0.831 -10.118 4.634 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -0.872 -10.533 4.644 1.00 0.00 H new ATOM 782 N THR X 48 -1.007 -11.359 0.910 1.00 0.00 N ATOM 783 CA THR X 48 -2.036 -11.927 0.056 1.00 0.00 C ATOM 784 C THR X 48 -2.789 -13.074 0.755 1.00 0.00 C ATOM 785 O THR X 48 -4.014 -13.214 0.620 1.00 0.00 O ATOM 786 CB THR X 48 -1.367 -12.500 -1.215 1.00 0.00 C ATOM 787 OG1 THR X 48 -0.336 -11.603 -1.652 1.00 0.00 O ATOM 788 CG2 THR X 48 -2.382 -12.660 -2.337 1.00 0.00 C ATOM 0 H THR X 48 -0.061 -11.514 0.560 1.00 0.00 H new ATOM 0 HA THR X 48 -2.747 -11.137 -0.184 1.00 0.00 H new ATOM 0 HB THR X 48 -0.949 -13.477 -0.973 1.00 0.00 H new ATOM 0 HG1 THR X 48 0.185 -12.027 -2.366 1.00 0.00 H new ATOM 0 HG21 THR X 48 -1.887 -13.065 -3.220 1.00 0.00 H new ATOM 0 HG22 THR X 48 -3.171 -13.341 -2.019 1.00 0.00 H new ATOM 0 HG23 THR X 48 -2.815 -11.689 -2.577 1.00 0.00 H new ATOM 796 N VAL X 49 -2.060 -13.829 1.543 1.00 0.00 N ATOM 797 CA VAL X 49 -2.553 -15.066 2.123 1.00 0.00 C ATOM 798 C VAL X 49 -3.410 -14.777 3.335 1.00 0.00 C ATOM 799 O VAL X 49 -4.512 -15.298 3.499 1.00 0.00 O ATOM 800 CB VAL X 49 -1.351 -15.972 2.543 1.00 0.00 C ATOM 801 CG1 VAL X 49 -1.815 -17.303 3.110 1.00 0.00 C ATOM 802 CG2 VAL X 49 -0.398 -16.189 1.375 1.00 0.00 C ATOM 0 H VAL X 49 -1.100 -13.604 1.804 1.00 0.00 H new ATOM 0 HA VAL X 49 -3.156 -15.582 1.376 1.00 0.00 H new ATOM 0 HB VAL X 49 -0.815 -15.448 3.334 1.00 0.00 H new ATOM 0 HG11 VAL X 49 -0.948 -17.902 3.389 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -2.434 -17.128 3.990 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -2.397 -17.836 2.358 1.00 0.00 H new ATOM 0 HG21 VAL X 49 0.430 -16.823 1.694 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.931 -16.672 0.556 1.00 0.00 H new ATOM 0 HG23 VAL X 49 -0.010 -15.228 1.038 1.00 0.00 H new ATOM 812 N ASN X 50 -2.908 -13.922 4.142 1.00 0.00 N ATOM 813 CA ASN X 50 -3.512 -13.579 5.406 1.00 0.00 C ATOM 814 C ASN X 50 -4.398 -12.365 5.268 1.00 0.00 C ATOM 815 O ASN X 50 -5.270 -12.105 6.111 1.00 0.00 O ATOM 816 CB ASN X 50 -2.389 -13.288 6.409 1.00 0.00 C ATOM 817 CG ASN X 50 -1.531 -14.502 6.708 1.00 0.00 C ATOM 818 OD1 ASN X 50 -1.797 -15.244 7.642 1.00 0.00 O ATOM 819 ND2 ASN X 50 -0.500 -14.721 5.911 1.00 0.00 N ATOM 0 H ASN X 50 -2.042 -13.418 3.952 1.00 0.00 H new ATOM 0 HA ASN X 50 -4.130 -14.408 5.750 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -1.757 -12.491 6.017 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -2.825 -12.921 7.338 1.00 0.00 H new ATOM 0 HD21 ASN X 50 0.102 -15.530 6.066 1.00 0.00 H new ATOM 0 HD22 ASN X 50 -0.306 -14.082 5.140 1.00 0.00 H new ATOM 826 N LYS X 51 -4.186 -11.631 4.184 1.00 0.00 N ATOM 827 CA LYS X 51 -4.818 -10.323 3.951 1.00 0.00 C ATOM 828 C LYS X 51 -4.390 -9.376 5.038 1.00 0.00 C ATOM 829 O LYS X 51 -5.134 -8.480 5.442 1.00 0.00 O ATOM 830 CB LYS X 51 -6.350 -10.392 3.797 1.00 0.00 C ATOM 831 CG LYS X 51 -6.815 -11.051 2.503 1.00 0.00 C ATOM 832 CD LYS X 51 -6.414 -10.268 1.223 1.00 0.00 C ATOM 833 CE LYS X 51 -7.267 -8.997 0.950 1.00 0.00 C ATOM 834 NZ LYS X 51 -7.007 -7.837 1.855 1.00 0.00 N ATOM 0 H LYS X 51 -3.565 -11.923 3.429 1.00 0.00 H new ATOM 0 HA LYS X 51 -4.473 -9.948 2.987 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -6.765 -10.941 4.642 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -6.755 -9.381 3.844 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -6.398 -12.057 2.448 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -7.900 -11.156 2.529 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -5.367 -9.977 1.304 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -6.494 -10.935 0.365 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -7.093 -8.679 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -8.321 -9.265 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -7.892 -7.558 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -6.305 -8.107 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -6.643 -7.037 1.299 1.00 0.00 H new ATOM 848 N GLU X 52 -3.141 -9.561 5.451 1.00 0.00 N ATOM 849 CA GLU X 52 -2.542 -8.749 6.504 1.00 0.00 C ATOM 850 C GLU X 52 -2.238 -7.413 5.934 1.00 0.00 C ATOM 851 O GLU X 52 -1.714 -7.322 4.838 1.00 0.00 O ATOM 852 CB GLU X 52 -1.293 -9.405 7.112 1.00 0.00 C ATOM 853 CG GLU X 52 -1.592 -10.473 8.134 1.00 0.00 C ATOM 854 CD GLU X 52 -2.013 -9.887 9.458 1.00 0.00 C ATOM 855 OE1 GLU X 52 -3.208 -9.632 9.668 1.00 0.00 O ATOM 856 OE2 GLU X 52 -1.143 -9.659 10.303 1.00 0.00 O ATOM 0 H GLU X 52 -2.519 -10.273 5.068 1.00 0.00 H new ATOM 0 HA GLU X 52 -3.247 -8.652 7.329 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -0.699 -9.842 6.310 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -0.681 -8.633 7.578 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -2.382 -11.123 7.758 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -0.708 -11.095 8.277 1.00 0.00 H new ATOM 863 N CYS X 53 -2.536 -6.401 6.648 1.00 0.00 N ATOM 864 CA CYS X 53 -2.514 -5.114 6.101 1.00 0.00 C ATOM 865 C CYS X 53 -1.398 -4.330 6.690 1.00 0.00 C ATOM 866 O CYS X 53 -1.357 -4.118 7.899 1.00 0.00 O ATOM 867 CB CYS X 53 -3.857 -4.476 6.393 1.00 0.00 C ATOM 868 SG CYS X 53 -4.065 -2.771 5.842 1.00 0.00 S ATOM 0 H CYS X 53 -2.803 -6.446 7.632 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.348 -5.145 5.024 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -4.633 -5.084 5.928 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -4.026 -4.511 7.469 1.00 0.00 H new ATOM 873 N TYR X 54 -0.480 -3.921 5.855 1.00 0.00 N ATOM 874 CA TYR X 54 0.591 -3.097 6.283 1.00 0.00 C ATOM 875 C TYR X 54 0.470 -1.851 5.475 1.00 0.00 C ATOM 876 O TYR X 54 0.417 -1.885 4.250 1.00 0.00 O ATOM 877 CB TYR X 54 1.967 -3.733 5.972 1.00 0.00 C ATOM 878 CG TYR X 54 2.270 -5.091 6.597 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.546 -6.229 6.251 1.00 0.00 C ATOM 880 CD2 TYR X 54 3.314 -5.235 7.500 1.00 0.00 C ATOM 881 CE1 TYR X 54 1.847 -7.459 6.791 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.620 -6.466 8.047 1.00 0.00 C ATOM 883 CZ TYR X 54 2.880 -7.575 7.688 1.00 0.00 C ATOM 884 OH TYR X 54 3.188 -8.809 8.223 1.00 0.00 O ATOM 0 H TYR X 54 -0.464 -4.156 4.863 1.00 0.00 H new ATOM 0 HA TYR X 54 0.537 -2.936 7.360 1.00 0.00 H new ATOM 0 HB2 TYR X 54 2.055 -3.833 4.890 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.741 -3.035 6.292 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.733 -6.145 5.545 1.00 0.00 H new ATOM 0 HD2 TYR X 54 3.897 -4.370 7.780 1.00 0.00 H new ATOM 0 HE1 TYR X 54 1.273 -8.329 6.510 1.00 0.00 H new ATOM 0 HE2 TYR X 54 4.433 -6.560 8.751 1.00 0.00 H new ATOM 0 HH TYR X 54 3.945 -8.719 8.839 1.00 0.00 H new ATOM 894 N TYR X 55 0.447 -0.777 6.113 1.00 0.00 N ATOM 895 CA TYR X 55 0.299 0.462 5.415 1.00 0.00 C ATOM 896 C TYR X 55 1.477 1.349 5.604 1.00 0.00 C ATOM 897 O TYR X 55 1.965 1.515 6.734 1.00 0.00 O ATOM 898 CB TYR X 55 -1.060 1.147 5.708 1.00 0.00 C ATOM 899 CG TYR X 55 -1.566 0.982 7.129 1.00 0.00 C ATOM 900 CD1 TYR X 55 -2.344 -0.119 7.474 1.00 0.00 C ATOM 901 CD2 TYR X 55 -1.277 1.902 8.110 1.00 0.00 C ATOM 902 CE1 TYR X 55 -2.815 -0.295 8.756 1.00 0.00 C ATOM 903 CE2 TYR X 55 -1.745 1.734 9.394 1.00 0.00 C ATOM 904 CZ TYR X 55 -2.515 0.630 9.713 1.00 0.00 C ATOM 905 OH TYR X 55 -2.981 0.462 11.001 1.00 0.00 O ATOM 0 H TYR X 55 0.527 -0.699 7.127 1.00 0.00 H new ATOM 0 HA TYR X 55 0.274 0.234 4.349 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.968 2.211 5.492 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.807 0.746 5.023 1.00 0.00 H new ATOM 0 HD1 TYR X 55 -2.584 -0.853 6.719 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -0.676 2.767 7.870 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -3.417 -1.158 9.002 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -1.511 2.465 10.153 1.00 0.00 H new ATOM 0 HH TYR X 55 -2.350 0.867 11.632 1.00 0.00 H new ATOM 915 N ASN X 56 1.983 1.862 4.490 1.00 0.00 N ATOM 916 CA ASN X 56 3.153 2.749 4.508 1.00 0.00 C ATOM 917 C ASN X 56 2.765 4.052 5.063 1.00 0.00 C ATOM 918 O ASN X 56 1.950 4.791 4.456 1.00 0.00 O ATOM 919 CB ASN X 56 3.725 2.932 3.106 1.00 0.00 C ATOM 920 CG ASN X 56 4.797 3.996 3.005 1.00 0.00 C ATOM 921 OD1 ASN X 56 5.974 3.740 3.169 1.00 0.00 O ATOM 922 ND2 ASN X 56 4.390 5.184 2.710 1.00 0.00 N ATOM 0 H ASN X 56 1.606 1.683 3.559 1.00 0.00 H new ATOM 0 HA ASN X 56 3.924 2.296 5.130 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.139 1.982 2.768 1.00 0.00 H new ATOM 0 HB3 ASN X 56 2.913 3.185 2.425 1.00 0.00 H new ATOM 0 HD21 ASN X 56 5.064 5.943 2.608 1.00 0.00 H new ATOM 0 HD22 ASN X 56 3.395 5.364 2.579 1.00 0.00 H new ATOM 929 N VAL X 57 3.363 4.370 6.168 1.00 0.00 N ATOM 930 CA VAL X 57 2.964 5.569 6.881 1.00 0.00 C ATOM 931 C VAL X 57 3.983 6.671 6.758 1.00 0.00 C ATOM 932 O VAL X 57 3.668 7.848 6.956 1.00 0.00 O ATOM 933 CB VAL X 57 2.595 5.309 8.373 1.00 0.00 C ATOM 934 CG1 VAL X 57 1.388 4.392 8.480 1.00 0.00 C ATOM 935 CG2 VAL X 57 3.767 4.738 9.163 1.00 0.00 C ATOM 0 H VAL X 57 4.117 3.835 6.600 1.00 0.00 H new ATOM 0 HA VAL X 57 2.050 5.903 6.390 1.00 0.00 H new ATOM 0 HB VAL X 57 2.344 6.275 8.812 1.00 0.00 H new ATOM 0 HG11 VAL X 57 1.150 4.225 9.530 1.00 0.00 H new ATOM 0 HG12 VAL X 57 0.535 4.854 7.983 1.00 0.00 H new ATOM 0 HG13 VAL X 57 1.612 3.438 8.003 1.00 0.00 H new ATOM 0 HG21 VAL X 57 3.463 4.573 10.197 1.00 0.00 H new ATOM 0 HG22 VAL X 57 4.077 3.791 8.721 1.00 0.00 H new ATOM 0 HG23 VAL X 57 4.600 5.441 9.137 1.00 0.00 H new ATOM 945 N VAL X 58 5.185 6.309 6.395 1.00 0.00 N ATOM 946 CA VAL X 58 6.249 7.289 6.265 1.00 0.00 C ATOM 947 C VAL X 58 6.531 7.486 4.772 1.00 0.00 C ATOM 948 O VAL X 58 5.744 7.068 3.943 1.00 0.00 O ATOM 949 CB VAL X 58 7.520 6.867 7.101 1.00 0.00 C ATOM 950 CG1 VAL X 58 8.488 8.026 7.328 1.00 0.00 C ATOM 951 CG2 VAL X 58 7.104 6.310 8.444 1.00 0.00 C ATOM 0 H VAL X 58 5.458 5.349 6.183 1.00 0.00 H new ATOM 0 HA VAL X 58 5.946 8.249 6.684 1.00 0.00 H new ATOM 0 HB VAL X 58 8.036 6.106 6.515 1.00 0.00 H new ATOM 0 HG11 VAL X 58 9.343 7.678 7.908 1.00 0.00 H new ATOM 0 HG12 VAL X 58 8.833 8.406 6.366 1.00 0.00 H new ATOM 0 HG13 VAL X 58 7.981 8.823 7.872 1.00 0.00 H new ATOM 0 HG21 VAL X 58 7.991 6.023 9.009 1.00 0.00 H new ATOM 0 HG22 VAL X 58 6.551 7.069 8.997 1.00 0.00 H new ATOM 0 HG23 VAL X 58 6.470 5.436 8.295 1.00 0.00 H new ATOM 961 N ASP X 59 7.561 8.180 4.439 1.00 0.00 N ATOM 962 CA ASP X 59 7.894 8.458 3.087 1.00 0.00 C ATOM 963 C ASP X 59 8.302 7.185 2.380 1.00 0.00 C ATOM 964 O ASP X 59 9.224 6.466 2.792 1.00 0.00 O ATOM 965 CB ASP X 59 8.964 9.571 2.966 1.00 0.00 C ATOM 966 CG ASP X 59 10.349 9.181 3.438 1.00 0.00 C ATOM 967 OD1 ASP X 59 10.548 8.935 4.659 1.00 0.00 O ATOM 968 OD2 ASP X 59 11.264 9.128 2.594 1.00 0.00 O ATOM 0 H ASP X 59 8.211 8.580 5.115 1.00 0.00 H new ATOM 0 HA ASP X 59 7.006 8.848 2.590 1.00 0.00 H new ATOM 0 HB2 ASP X 59 9.026 9.883 1.923 1.00 0.00 H new ATOM 0 HB3 ASP X 59 8.632 10.437 3.538 1.00 0.00 H new ATOM 973 N GLY X 60 7.589 6.915 1.352 1.00 0.00 N ATOM 974 CA GLY X 60 7.756 5.739 0.595 1.00 0.00 C ATOM 975 C GLY X 60 7.492 5.991 -0.859 1.00 0.00 C ATOM 976 O GLY X 60 7.291 5.071 -1.616 1.00 0.00 O ATOM 0 H GLY X 60 6.851 7.527 1.005 1.00 0.00 H new ATOM 0 HA2 GLY X 60 8.770 5.361 0.723 1.00 0.00 H new ATOM 0 HA3 GLY X 60 7.079 4.967 0.962 1.00 0.00 H new ATOM 980 N GLU X 61 7.477 7.260 -1.267 1.00 0.00 N ATOM 981 CA GLU X 61 7.314 7.574 -2.685 1.00 0.00 C ATOM 982 C GLU X 61 8.564 7.155 -3.428 1.00 0.00 C ATOM 983 O GLU X 61 8.547 6.888 -4.632 1.00 0.00 O ATOM 984 CB GLU X 61 6.981 9.053 -2.925 1.00 0.00 C ATOM 985 CG GLU X 61 7.993 10.045 -2.378 1.00 0.00 C ATOM 986 CD GLU X 61 7.582 11.467 -2.647 1.00 0.00 C ATOM 987 OE1 GLU X 61 7.888 11.991 -3.732 1.00 0.00 O ATOM 988 OE2 GLU X 61 6.951 12.092 -1.778 1.00 0.00 O ATOM 0 H GLU X 61 7.573 8.069 -0.653 1.00 0.00 H new ATOM 0 HA GLU X 61 6.460 7.015 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU X 61 6.881 9.216 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU X 61 6.010 9.267 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU X 61 8.105 9.896 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU X 61 8.967 9.857 -2.829 1.00 0.00 H new ATOM 995 N GLU X 62 9.648 7.078 -2.679 1.00 0.00 N ATOM 996 CA GLU X 62 10.899 6.598 -3.170 1.00 0.00 C ATOM 997 C GLU X 62 10.949 5.079 -3.137 1.00 0.00 C ATOM 998 O GLU X 62 12.005 4.504 -3.408 1.00 0.00 O ATOM 999 CB GLU X 62 12.071 7.166 -2.381 1.00 0.00 C ATOM 1000 CG GLU X 62 12.251 8.662 -2.506 1.00 0.00 C ATOM 1001 CD GLU X 62 13.403 9.150 -1.673 1.00 0.00 C ATOM 1002 OE1 GLU X 62 14.558 9.091 -2.139 1.00 0.00 O ATOM 1003 OE2 GLU X 62 13.176 9.587 -0.524 1.00 0.00 O ATOM 0 H GLU X 62 9.671 7.355 -1.698 1.00 0.00 H new ATOM 0 HA GLU X 62 10.986 6.937 -4.202 1.00 0.00 H new ATOM 0 HB2 GLU X 62 11.938 6.916 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU X 62 12.986 6.675 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU X 62 12.420 8.923 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU X 62 11.336 9.167 -2.195 1.00 0.00 H new ATOM 1010 N LEU X 63 9.840 4.403 -2.734 1.00 0.00 N ATOM 1011 CA LEU X 63 9.849 2.941 -2.867 1.00 0.00 C ATOM 1012 C LEU X 63 9.848 2.609 -4.339 1.00 0.00 C ATOM 1013 O LEU X 63 8.839 2.771 -5.036 1.00 0.00 O ATOM 1014 CB LEU X 63 8.696 2.251 -2.127 1.00 0.00 C ATOM 1015 CG LEU X 63 8.646 2.516 -0.623 1.00 0.00 C ATOM 1016 CD1 LEU X 63 7.534 1.734 0.036 1.00 0.00 C ATOM 1017 CD2 LEU X 63 9.984 2.217 0.020 1.00 0.00 C ATOM 0 H LEU X 63 8.993 4.817 -2.344 1.00 0.00 H new ATOM 0 HA LEU X 63 10.749 2.554 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU X 63 7.754 2.575 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.771 1.176 -2.289 1.00 0.00 H new ATOM 0 HG LEU X 63 8.431 3.574 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU X 63 7.525 1.945 1.105 1.00 0.00 H new ATOM 0 HD12 LEU X 63 6.578 2.025 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU X 63 7.696 0.668 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU X 63 9.925 2.413 1.091 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.241 1.170 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU X 63 10.751 2.852 -0.423 1.00 0.00 H new ATOM 1029 N ASP X 64 10.995 2.207 -4.808 1.00 0.00 N ATOM 1030 CA ASP X 64 11.242 2.039 -6.213 1.00 0.00 C ATOM 1031 C ASP X 64 10.757 0.676 -6.666 1.00 0.00 C ATOM 1032 O ASP X 64 11.436 -0.345 -6.492 1.00 0.00 O ATOM 1033 CB ASP X 64 12.717 2.228 -6.475 1.00 0.00 C ATOM 1034 CG ASP X 64 13.005 2.913 -7.779 1.00 0.00 C ATOM 1035 OD1 ASP X 64 12.146 2.919 -8.692 1.00 0.00 O ATOM 1036 OD2 ASP X 64 14.127 3.437 -7.931 1.00 0.00 O ATOM 0 H ASP X 64 11.796 1.984 -4.218 1.00 0.00 H new ATOM 0 HA ASP X 64 10.692 2.785 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP X 64 13.152 2.811 -5.663 1.00 0.00 H new ATOM 0 HB3 ASP X 64 13.208 1.255 -6.467 1.00 0.00 H new ATOM 1041 N GLN X 65 9.595 0.693 -7.265 1.00 0.00 N ATOM 1042 CA GLN X 65 8.788 -0.482 -7.570 1.00 0.00 C ATOM 1043 C GLN X 65 9.491 -1.588 -8.387 1.00 0.00 C ATOM 1044 O GLN X 65 9.351 -2.768 -8.081 1.00 0.00 O ATOM 1045 CB GLN X 65 7.500 -0.033 -8.280 1.00 0.00 C ATOM 1046 CG GLN X 65 6.576 -1.156 -8.689 1.00 0.00 C ATOM 1047 CD GLN X 65 6.019 -1.933 -7.512 1.00 0.00 C ATOM 1048 OE1 GLN X 65 4.965 -1.606 -6.981 1.00 0.00 O ATOM 1049 NE2 GLN X 65 6.726 -2.947 -7.110 1.00 0.00 N ATOM 0 H GLN X 65 9.157 1.561 -7.572 1.00 0.00 H new ATOM 0 HA GLN X 65 8.577 -0.952 -6.609 1.00 0.00 H new ATOM 0 HB2 GLN X 65 6.956 0.644 -7.621 1.00 0.00 H new ATOM 0 HB3 GLN X 65 7.772 0.537 -9.169 1.00 0.00 H new ATOM 0 HG2 GLN X 65 5.749 -0.744 -9.268 1.00 0.00 H new ATOM 0 HG3 GLN X 65 7.115 -1.840 -9.345 1.00 0.00 H new ATOM 0 HE21 GLN X 65 7.598 -3.181 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN X 65 6.409 -3.509 -6.320 1.00 0.00 H new ATOM 1058 N GLU X 66 10.239 -1.243 -9.391 1.00 0.00 N ATOM 1059 CA GLU X 66 10.782 -2.279 -10.264 1.00 0.00 C ATOM 1060 C GLU X 66 12.026 -2.930 -9.678 1.00 0.00 C ATOM 1061 O GLU X 66 12.481 -3.960 -10.158 1.00 0.00 O ATOM 1062 CB GLU X 66 11.062 -1.752 -11.673 1.00 0.00 C ATOM 1063 CG GLU X 66 9.925 -0.939 -12.283 1.00 0.00 C ATOM 1064 CD GLU X 66 9.997 0.521 -11.895 1.00 0.00 C ATOM 1065 OE1 GLU X 66 10.783 0.869 -10.986 1.00 0.00 O ATOM 1066 OE2 GLU X 66 9.302 1.341 -12.526 1.00 0.00 O ATOM 0 H GLU X 66 10.491 -0.285 -9.635 1.00 0.00 H new ATOM 0 HA GLU X 66 10.012 -3.046 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU X 66 11.959 -1.133 -11.644 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.279 -2.597 -12.327 1.00 0.00 H new ATOM 0 HG2 GLU X 66 9.959 -1.027 -13.369 1.00 0.00 H new ATOM 0 HG3 GLU X 66 8.970 -1.353 -11.959 1.00 0.00 H new ATOM 1073 N LYS X 67 12.535 -2.358 -8.611 1.00 0.00 N ATOM 1074 CA LYS X 67 13.759 -2.843 -7.967 1.00 0.00 C ATOM 1075 C LYS X 67 13.394 -3.802 -6.836 1.00 0.00 C ATOM 1076 O LYS X 67 14.229 -4.264 -6.056 1.00 0.00 O ATOM 1077 CB LYS X 67 14.630 -1.663 -7.465 1.00 0.00 C ATOM 1078 CG LYS X 67 15.122 -0.705 -8.576 1.00 0.00 C ATOM 1079 CD LYS X 67 13.981 0.106 -9.186 1.00 0.00 C ATOM 1080 CE LYS X 67 14.406 0.935 -10.366 1.00 0.00 C ATOM 1081 NZ LYS X 67 13.282 1.767 -10.868 1.00 0.00 N ATOM 0 H LYS X 67 12.121 -1.544 -8.157 1.00 0.00 H new ATOM 0 HA LYS X 67 14.358 -3.386 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS X 67 14.056 -1.089 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS X 67 15.497 -2.066 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS X 67 15.868 -0.026 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.614 -1.282 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS X 67 13.186 -0.573 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS X 67 13.561 0.761 -8.423 1.00 0.00 H new ATOM 0 HE2 LYS X 67 15.239 1.577 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS X 67 14.764 0.283 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 13.620 2.379 -11.638 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 12.524 1.149 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 12.914 2.356 -10.094 1.00 0.00 H new ATOM 1095 N PHE X 68 12.134 -4.096 -6.807 1.00 0.00 N ATOM 1096 CA PHE X 68 11.515 -5.024 -5.921 1.00 0.00 C ATOM 1097 C PHE X 68 11.730 -6.455 -6.397 1.00 0.00 C ATOM 1098 O PHE X 68 11.848 -6.715 -7.599 1.00 0.00 O ATOM 1099 CB PHE X 68 10.028 -4.703 -5.728 1.00 0.00 C ATOM 1100 CG PHE X 68 9.738 -3.736 -4.595 1.00 0.00 C ATOM 1101 CD1 PHE X 68 10.291 -2.470 -4.532 1.00 0.00 C ATOM 1102 CD2 PHE X 68 8.909 -4.125 -3.585 1.00 0.00 C ATOM 1103 CE1 PHE X 68 10.003 -1.634 -3.454 1.00 0.00 C ATOM 1104 CE2 PHE X 68 8.615 -3.318 -2.531 1.00 0.00 C ATOM 1105 CZ PHE X 68 9.152 -2.084 -2.451 1.00 0.00 C ATOM 0 H PHE X 68 11.467 -3.664 -7.446 1.00 0.00 H new ATOM 0 HA PHE X 68 11.991 -4.929 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE X 68 9.635 -4.286 -6.655 1.00 0.00 H new ATOM 0 HB3 PHE X 68 9.489 -5.632 -5.543 1.00 0.00 H new ATOM 0 HD1 PHE X 68 10.947 -2.128 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE X 68 8.470 -5.111 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE X 68 10.437 -0.646 -3.399 1.00 0.00 H new ATOM 0 HE2 PHE X 68 7.949 -3.667 -1.755 1.00 0.00 H new ATOM 0 HZ PHE X 68 8.922 -1.447 -1.610 1.00 0.00 H new ATOM 1115 N VAL X 69 11.753 -7.351 -5.454 1.00 0.00 N ATOM 1116 CA VAL X 69 12.042 -8.773 -5.626 1.00 0.00 C ATOM 1117 C VAL X 69 10.737 -9.410 -5.238 1.00 0.00 C ATOM 1118 O VAL X 69 9.907 -8.716 -4.807 1.00 0.00 O ATOM 1119 CB VAL X 69 13.152 -9.212 -4.614 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.521 -10.677 -4.771 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.386 -8.332 -4.743 1.00 0.00 C ATOM 0 H VAL X 69 11.561 -7.110 -4.482 1.00 0.00 H new ATOM 0 HA VAL X 69 12.390 -9.036 -6.625 1.00 0.00 H new ATOM 0 HB VAL X 69 12.739 -9.086 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.295 -10.937 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.640 -11.295 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.894 -10.852 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.142 -8.658 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.785 -8.410 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL X 69 14.117 -7.296 -4.538 1.00 0.00 H new ATOM 1131 N VAL X 70 10.486 -10.642 -5.490 1.00 0.00 N ATOM 1132 CA VAL X 70 9.137 -11.132 -5.244 1.00 0.00 C ATOM 1133 C VAL X 70 8.928 -11.869 -3.911 1.00 0.00 C ATOM 1134 O VAL X 70 9.538 -12.901 -3.671 1.00 0.00 O ATOM 1135 CB VAL X 70 8.654 -12.048 -6.387 1.00 0.00 C ATOM 1136 CG1 VAL X 70 7.223 -12.520 -6.156 1.00 0.00 C ATOM 1137 CG2 VAL X 70 8.783 -11.370 -7.735 1.00 0.00 C ATOM 0 H VAL X 70 11.152 -11.324 -5.853 1.00 0.00 H new ATOM 0 HA VAL X 70 8.545 -10.218 -5.191 1.00 0.00 H new ATOM 0 HB VAL X 70 9.301 -12.925 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL X 70 6.915 -13.163 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL X 70 7.170 -13.078 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL X 70 6.560 -11.657 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL X 70 8.434 -12.045 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL X 70 8.181 -10.461 -7.744 1.00 0.00 H new ATOM 0 HG23 VAL X 70 9.827 -11.115 -7.916 1.00 0.00 H new ATOM 1147 N ASP X 71 8.076 -11.312 -3.039 1.00 0.00 N ATOM 1148 CA ASP X 71 7.512 -12.098 -1.958 1.00 0.00 C ATOM 1149 C ASP X 71 6.140 -12.500 -2.435 1.00 0.00 C ATOM 1150 O ASP X 71 5.238 -11.658 -2.522 1.00 0.00 O ATOM 1151 CB ASP X 71 7.386 -11.328 -0.635 1.00 0.00 C ATOM 1152 CG ASP X 71 8.692 -11.125 0.102 1.00 0.00 C ATOM 1153 OD1 ASP X 71 9.067 -11.989 0.908 1.00 0.00 O ATOM 1154 OD2 ASP X 71 9.330 -10.075 -0.055 1.00 0.00 O ATOM 0 H ASP X 71 7.773 -10.338 -3.067 1.00 0.00 H new ATOM 0 HA ASP X 71 8.168 -12.941 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP X 71 6.943 -10.353 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP X 71 6.695 -11.862 0.017 1.00 0.00 H new ATOM 1159 N GLU X 72 5.985 -13.763 -2.795 1.00 0.00 N ATOM 1160 CA GLU X 72 4.743 -14.277 -3.421 1.00 0.00 C ATOM 1161 C GLU X 72 3.542 -14.161 -2.480 1.00 0.00 C ATOM 1162 O GLU X 72 2.384 -14.250 -2.904 1.00 0.00 O ATOM 1163 CB GLU X 72 4.868 -15.759 -3.850 1.00 0.00 C ATOM 1164 CG GLU X 72 6.248 -16.226 -4.308 1.00 0.00 C ATOM 1165 CD GLU X 72 7.149 -16.538 -3.136 1.00 0.00 C ATOM 1166 OE1 GLU X 72 7.018 -17.633 -2.556 1.00 0.00 O ATOM 1167 OE2 GLU X 72 7.961 -15.692 -2.742 1.00 0.00 O ATOM 0 H GLU X 72 6.706 -14.473 -2.669 1.00 0.00 H new ATOM 0 HA GLU X 72 4.588 -13.656 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU X 72 4.558 -16.383 -3.012 1.00 0.00 H new ATOM 0 HB3 GLU X 72 4.161 -15.940 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU X 72 6.143 -17.113 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU X 72 6.707 -15.454 -4.925 1.00 0.00 H new ATOM 1174 N ASN X 73 3.819 -13.982 -1.228 1.00 0.00 N ATOM 1175 CA ASN X 73 2.819 -13.885 -0.197 1.00 0.00 C ATOM 1176 C ASN X 73 2.385 -12.446 0.047 1.00 0.00 C ATOM 1177 O ASN X 73 1.597 -12.192 0.941 1.00 0.00 O ATOM 1178 CB ASN X 73 3.338 -14.514 1.118 1.00 0.00 C ATOM 1179 CG ASN X 73 4.708 -13.978 1.565 1.00 0.00 C ATOM 1180 OD1 ASN X 73 5.559 -13.627 0.749 1.00 0.00 O ATOM 1181 ND2 ASN X 73 4.934 -13.917 2.834 1.00 0.00 N ATOM 0 H ASN X 73 4.773 -13.896 -0.878 1.00 0.00 H new ATOM 0 HA ASN X 73 1.945 -14.438 -0.542 1.00 0.00 H new ATOM 0 HB2 ASN X 73 2.611 -14.330 1.909 1.00 0.00 H new ATOM 0 HB3 ASN X 73 3.405 -15.595 0.991 1.00 0.00 H new ATOM 0 HD21 ASN X 73 5.831 -13.573 3.176 1.00 0.00 H new ATOM 0 HD22 ASN X 73 4.215 -14.213 3.495 1.00 0.00 H new ATOM 1188 N PHE X 74 2.866 -11.510 -0.751 1.00 0.00 N ATOM 1189 CA PHE X 74 2.518 -10.107 -0.559 1.00 0.00 C ATOM 1190 C PHE X 74 2.091 -9.402 -1.851 1.00 0.00 C ATOM 1191 O PHE X 74 2.501 -9.770 -2.939 1.00 0.00 O ATOM 1192 CB PHE X 74 3.661 -9.339 0.119 1.00 0.00 C ATOM 1193 CG PHE X 74 3.720 -9.482 1.624 1.00 0.00 C ATOM 1194 CD1 PHE X 74 4.303 -10.578 2.223 1.00 0.00 C ATOM 1195 CD2 PHE X 74 3.180 -8.499 2.433 1.00 0.00 C ATOM 1196 CE1 PHE X 74 4.339 -10.695 3.601 1.00 0.00 C ATOM 1197 CE2 PHE X 74 3.214 -8.608 3.802 1.00 0.00 C ATOM 1198 CZ PHE X 74 3.791 -9.707 4.391 1.00 0.00 C ATOM 0 H PHE X 74 3.495 -11.690 -1.534 1.00 0.00 H new ATOM 0 HA PHE X 74 1.649 -10.105 0.099 1.00 0.00 H new ATOM 0 HB2 PHE X 74 4.607 -9.680 -0.301 1.00 0.00 H new ATOM 0 HB3 PHE X 74 3.565 -8.282 -0.127 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.737 -11.354 1.610 1.00 0.00 H new ATOM 0 HD2 PHE X 74 2.724 -7.631 1.981 1.00 0.00 H new ATOM 0 HE1 PHE X 74 4.796 -11.560 4.058 1.00 0.00 H new ATOM 0 HE2 PHE X 74 2.787 -7.829 4.416 1.00 0.00 H new ATOM 0 HZ PHE X 74 3.815 -9.796 5.467 1.00 0.00 H new ATOM 1208 N THR X 75 1.326 -8.344 -1.689 1.00 0.00 N ATOM 1209 CA THR X 75 0.792 -7.532 -2.759 1.00 0.00 C ATOM 1210 C THR X 75 1.342 -6.127 -2.586 1.00 0.00 C ATOM 1211 O THR X 75 1.551 -5.674 -1.443 1.00 0.00 O ATOM 1212 CB THR X 75 -0.755 -7.478 -2.609 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.104 -6.982 -1.321 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.359 -8.855 -2.791 1.00 0.00 C ATOM 0 H THR X 75 1.047 -8.012 -0.766 1.00 0.00 H new ATOM 0 HA THR X 75 1.062 -7.940 -3.733 1.00 0.00 H new ATOM 0 HB THR X 75 -1.147 -6.812 -3.378 1.00 0.00 H new ATOM 0 HG1 THR X 75 -1.763 -6.263 -1.415 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.442 -8.795 -2.682 1.00 0.00 H new ATOM 0 HG22 THR X 75 -1.115 -9.231 -3.784 1.00 0.00 H new ATOM 0 HG23 THR X 75 -0.956 -9.532 -2.038 1.00 0.00 H new ATOM 1222 N GLU X 76 1.730 -5.476 -3.666 1.00 0.00 N ATOM 1223 CA GLU X 76 2.182 -4.120 -3.542 1.00 0.00 C ATOM 1224 C GLU X 76 1.440 -3.167 -4.403 1.00 0.00 C ATOM 1225 O GLU X 76 1.287 -3.377 -5.619 1.00 0.00 O ATOM 1226 CB GLU X 76 3.665 -3.993 -3.605 1.00 0.00 C ATOM 1227 CG GLU X 76 4.318 -4.789 -4.669 1.00 0.00 C ATOM 1228 CD GLU X 76 5.754 -4.902 -4.376 1.00 0.00 C ATOM 1229 OE1 GLU X 76 6.094 -5.134 -3.170 1.00 0.00 O ATOM 1230 OE2 GLU X 76 6.549 -4.836 -5.297 1.00 0.00 O ATOM 0 H GLU X 76 1.739 -5.858 -4.612 1.00 0.00 H new ATOM 0 HA GLU X 76 1.925 -3.810 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU X 76 3.919 -2.943 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU X 76 4.081 -4.291 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU X 76 3.867 -5.780 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU X 76 4.169 -4.314 -5.639 1.00 0.00 H new ATOM 1237 N ASN X 77 0.957 -2.143 -3.781 1.00 0.00 N ATOM 1238 CA ASN X 77 0.126 -1.192 -4.424 1.00 0.00 C ATOM 1239 C ASN X 77 0.567 0.198 -3.988 1.00 0.00 C ATOM 1240 O ASN X 77 0.988 0.390 -2.834 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.326 -1.475 -4.009 1.00 0.00 C ATOM 1242 CG ASN X 77 -1.559 -1.260 -2.525 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -1.796 -0.163 -2.089 1.00 0.00 O ATOM 1244 ND2 ASN X 77 -1.537 -2.326 -1.753 1.00 0.00 N ATOM 0 H ASN X 77 1.134 -1.944 -2.796 1.00 0.00 H new ATOM 0 HA ASN X 77 0.200 -1.254 -5.510 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -1.995 -0.828 -4.576 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.581 -2.503 -4.268 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -1.724 -2.236 -0.754 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -1.333 -3.242 -2.153 1.00 0.00 H new ATOM 1251 N TYR X 78 0.563 1.139 -4.891 1.00 0.00 N ATOM 1252 CA TYR X 78 0.967 2.466 -4.539 1.00 0.00 C ATOM 1253 C TYR X 78 0.080 3.556 -5.150 1.00 0.00 C ATOM 1254 O TYR X 78 -0.408 3.425 -6.277 1.00 0.00 O ATOM 1255 CB TYR X 78 2.489 2.676 -4.779 1.00 0.00 C ATOM 1256 CG TYR X 78 3.030 2.587 -6.204 1.00 0.00 C ATOM 1257 CD1 TYR X 78 2.695 1.544 -7.065 1.00 0.00 C ATOM 1258 CD2 TYR X 78 3.940 3.535 -6.658 1.00 0.00 C ATOM 1259 CE1 TYR X 78 3.244 1.460 -8.330 1.00 0.00 C ATOM 1260 CE2 TYR X 78 4.484 3.460 -7.923 1.00 0.00 C ATOM 1261 CZ TYR X 78 4.134 2.423 -8.753 1.00 0.00 C ATOM 1262 OH TYR X 78 4.688 2.339 -10.014 1.00 0.00 O ATOM 0 H TYR X 78 0.287 1.012 -5.865 1.00 0.00 H new ATOM 0 HA TYR X 78 0.809 2.575 -3.466 1.00 0.00 H new ATOM 0 HB2 TYR X 78 2.752 3.659 -4.387 1.00 0.00 H new ATOM 0 HB3 TYR X 78 3.022 1.940 -4.177 1.00 0.00 H new ATOM 0 HD1 TYR X 78 1.995 0.789 -6.738 1.00 0.00 H new ATOM 0 HD2 TYR X 78 4.227 4.347 -6.006 1.00 0.00 H new ATOM 0 HE1 TYR X 78 2.977 0.643 -8.984 1.00 0.00 H new ATOM 0 HE2 TYR X 78 5.182 4.213 -8.259 1.00 0.00 H new ATOM 0 HH TYR X 78 5.294 3.096 -10.156 1.00 0.00 H new ATOM 1272 N LEU X 79 -0.173 4.581 -4.364 1.00 0.00 N ATOM 1273 CA LEU X 79 -0.937 5.757 -4.756 1.00 0.00 C ATOM 1274 C LEU X 79 0.003 6.724 -5.437 1.00 0.00 C ATOM 1275 O LEU X 79 0.980 7.169 -4.834 1.00 0.00 O ATOM 1276 CB LEU X 79 -1.533 6.420 -3.489 1.00 0.00 C ATOM 1277 CG LEU X 79 -2.083 7.860 -3.617 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -3.305 7.927 -4.476 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -2.369 8.455 -2.258 1.00 0.00 C ATOM 0 H LEU X 79 0.157 4.624 -3.400 1.00 0.00 H new ATOM 0 HA LEU X 79 -1.746 5.480 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -2.341 5.784 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -0.762 6.424 -2.719 1.00 0.00 H new ATOM 0 HG LEU X 79 -1.305 8.448 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -3.652 8.958 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -3.066 7.567 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -4.088 7.304 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -2.754 9.467 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -3.109 7.844 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -1.450 8.484 -1.673 1.00 0.00 H new ATOM 1291 N THR X 80 -0.224 7.008 -6.690 1.00 0.00 N ATOM 1292 CA THR X 80 0.629 7.940 -7.355 1.00 0.00 C ATOM 1293 C THR X 80 -0.158 9.079 -8.002 1.00 0.00 C ATOM 1294 O THR X 80 -0.828 8.881 -9.003 1.00 0.00 O ATOM 1295 CB THR X 80 1.497 7.218 -8.402 1.00 0.00 C ATOM 1296 OG1 THR X 80 2.138 6.107 -7.765 1.00 0.00 O ATOM 1297 CG2 THR X 80 2.567 8.150 -8.955 1.00 0.00 C ATOM 0 H THR X 80 -0.976 6.615 -7.257 1.00 0.00 H new ATOM 0 HA THR X 80 1.278 8.385 -6.601 1.00 0.00 H new ATOM 0 HB THR X 80 0.863 6.888 -9.225 1.00 0.00 H new ATOM 0 HG1 THR X 80 2.565 5.543 -8.443 1.00 0.00 H new ATOM 0 HG21 THR X 80 3.167 7.618 -9.693 1.00 0.00 H new ATOM 0 HG22 THR X 80 2.092 9.010 -9.427 1.00 0.00 H new ATOM 0 HG23 THR X 80 3.209 8.490 -8.142 1.00 0.00 H new ATOM 1305 N ASP X 81 -0.074 10.243 -7.353 1.00 0.00 N ATOM 1306 CA ASP X 81 -0.561 11.581 -7.802 1.00 0.00 C ATOM 1307 C ASP X 81 -1.885 11.575 -8.619 1.00 0.00 C ATOM 1308 O ASP X 81 -2.077 12.379 -9.526 1.00 0.00 O ATOM 1309 CB ASP X 81 0.575 12.322 -8.547 1.00 0.00 C ATOM 1310 CG ASP X 81 0.311 13.814 -8.706 1.00 0.00 C ATOM 1311 OD1 ASP X 81 0.106 14.500 -7.669 1.00 0.00 O ATOM 1312 OD2 ASP X 81 0.305 14.323 -9.853 1.00 0.00 O ATOM 0 H ASP X 81 0.364 10.296 -6.434 1.00 0.00 H new ATOM 0 HA ASP X 81 -0.830 12.122 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP X 81 1.510 12.180 -8.005 1.00 0.00 H new ATOM 0 HB3 ASP X 81 0.707 11.875 -9.532 1.00 0.00 H new ATOM 1317 N CYS X 82 -2.788 10.694 -8.298 1.00 0.00 N ATOM 1318 CA CYS X 82 -4.077 10.684 -8.956 1.00 0.00 C ATOM 1319 C CYS X 82 -5.038 11.629 -8.257 1.00 0.00 C ATOM 1320 O CYS X 82 -5.787 12.369 -8.901 1.00 0.00 O ATOM 1321 CB CYS X 82 -4.628 9.250 -9.091 1.00 0.00 C ATOM 1322 SG CYS X 82 -4.280 8.158 -7.663 1.00 0.00 S ATOM 0 H CYS X 82 -2.663 9.972 -7.588 1.00 0.00 H new ATOM 0 HA CYS X 82 -3.954 11.054 -9.974 1.00 0.00 H new ATOM 0 HB2 CYS X 82 -5.707 9.302 -9.236 1.00 0.00 H new ATOM 0 HB3 CYS X 82 -4.207 8.797 -9.988 1.00 0.00 H new ATOM 1327 N GLU X 83 -4.950 11.662 -6.948 1.00 0.00 N ATOM 1328 CA GLU X 83 -5.757 12.524 -6.114 1.00 0.00 C ATOM 1329 C GLU X 83 -5.214 12.397 -4.723 1.00 0.00 C ATOM 1330 O GLU X 83 -4.216 11.680 -4.521 1.00 0.00 O ATOM 1331 CB GLU X 83 -7.252 12.110 -6.141 1.00 0.00 C ATOM 1332 CG GLU X 83 -7.521 10.713 -5.615 1.00 0.00 C ATOM 1333 CD GLU X 83 -8.957 10.305 -5.724 1.00 0.00 C ATOM 1334 OE1 GLU X 83 -9.428 10.051 -6.853 1.00 0.00 O ATOM 1335 OE2 GLU X 83 -9.643 10.229 -4.695 1.00 0.00 O ATOM 0 H GLU X 83 -4.301 11.078 -6.421 1.00 0.00 H new ATOM 0 HA GLU X 83 -5.710 13.551 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU X 83 -7.826 12.825 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU X 83 -7.617 12.177 -7.166 1.00 0.00 H new ATOM 0 HG2 GLU X 83 -6.906 10.001 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU X 83 -7.214 10.660 -4.570 1.00 0.00 H new ATOM 1342 N GLY X 84 -5.813 13.075 -3.791 1.00 0.00 N ATOM 1343 CA GLY X 84 -5.430 12.925 -2.429 1.00 0.00 C ATOM 1344 C GLY X 84 -6.206 11.798 -1.822 1.00 0.00 C ATOM 1345 O GLY X 84 -5.836 10.634 -1.963 1.00 0.00 O ATOM 0 H GLY X 84 -6.571 13.738 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY X 84 -4.361 12.725 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY X 84 -5.618 13.849 -1.882 1.00 0.00 H new ATOM 1349 N LYS X 85 -7.276 12.137 -1.157 1.00 0.00 N ATOM 1350 CA LYS X 85 -8.199 11.170 -0.602 1.00 0.00 C ATOM 1351 C LYS X 85 -9.599 11.679 -0.858 1.00 0.00 C ATOM 1352 O LYS X 85 -10.225 12.293 0.017 1.00 0.00 O ATOM 1353 CB LYS X 85 -8.015 10.902 0.928 1.00 0.00 C ATOM 1354 CG LYS X 85 -6.675 10.305 1.371 1.00 0.00 C ATOM 1355 CD LYS X 85 -5.548 11.326 1.390 1.00 0.00 C ATOM 1356 CE LYS X 85 -4.196 10.688 1.665 1.00 0.00 C ATOM 1357 NZ LYS X 85 -3.772 9.785 0.571 1.00 0.00 N ATOM 0 H LYS X 85 -7.540 13.106 -0.980 1.00 0.00 H new ATOM 0 HA LYS X 85 -8.003 10.215 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS X 85 -8.158 11.844 1.457 1.00 0.00 H new ATOM 0 HB3 LYS X 85 -8.810 10.230 1.253 1.00 0.00 H new ATOM 0 HG2 LYS X 85 -6.786 9.876 2.367 1.00 0.00 H new ATOM 0 HG3 LYS X 85 -6.407 9.489 0.700 1.00 0.00 H new ATOM 0 HD2 LYS X 85 -5.514 11.845 0.432 1.00 0.00 H new ATOM 0 HD3 LYS X 85 -5.754 12.077 2.152 1.00 0.00 H new ATOM 0 HE2 LYS X 85 -3.448 11.469 1.800 1.00 0.00 H new ATOM 0 HE3 LYS X 85 -4.244 10.128 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS X 85 -2.762 9.560 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS X 85 -4.328 8.907 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS X 85 -3.927 10.253 -0.345 1.00 0.00 H new ATOM 1371 N ASP X 86 -10.056 11.522 -2.066 1.00 0.00 N ATOM 1372 CA ASP X 86 -11.365 12.016 -2.445 1.00 0.00 C ATOM 1373 C ASP X 86 -12.322 10.875 -2.589 1.00 0.00 C ATOM 1374 O ASP X 86 -13.276 10.744 -1.823 1.00 0.00 O ATOM 1375 CB ASP X 86 -11.305 12.812 -3.762 1.00 0.00 C ATOM 1376 CG ASP X 86 -10.576 14.127 -3.647 1.00 0.00 C ATOM 1377 OD1 ASP X 86 -9.342 14.143 -3.580 1.00 0.00 O ATOM 1378 OD2 ASP X 86 -11.242 15.190 -3.660 1.00 0.00 O ATOM 0 H ASP X 86 -9.545 11.055 -2.815 1.00 0.00 H new ATOM 0 HA ASP X 86 -11.710 12.686 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP X 86 -10.817 12.202 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP X 86 -12.321 13.000 -4.108 1.00 0.00 H new ATOM 1383 N ALA X 87 -12.049 10.033 -3.540 1.00 0.00 N ATOM 1384 CA ALA X 87 -12.895 8.905 -3.829 1.00 0.00 C ATOM 1385 C ALA X 87 -12.067 7.651 -3.991 1.00 0.00 C ATOM 1386 O ALA X 87 -12.507 6.553 -3.623 1.00 0.00 O ATOM 1387 CB ALA X 87 -13.707 9.166 -5.089 1.00 0.00 C ATOM 0 H ALA X 87 -11.229 10.106 -4.143 1.00 0.00 H new ATOM 0 HA ALA X 87 -13.580 8.762 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA X 87 -14.343 8.305 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA X 87 -14.328 10.050 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA X 87 -13.032 9.330 -5.929 1.00 0.00 H new ATOM 1393 N GLY X 88 -10.863 7.816 -4.515 1.00 0.00 N ATOM 1394 CA GLY X 88 -9.998 6.699 -4.775 1.00 0.00 C ATOM 1395 C GLY X 88 -10.575 5.799 -5.831 1.00 0.00 C ATOM 1396 O GLY X 88 -11.019 6.276 -6.882 1.00 0.00 O ATOM 0 H GLY X 88 -10.470 8.723 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY X 88 -9.020 7.060 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY X 88 -9.844 6.133 -3.856 1.00 0.00 H new ATOM 1400 N ASN X 89 -10.601 4.529 -5.561 1.00 0.00 N ATOM 1401 CA ASN X 89 -11.163 3.553 -6.476 1.00 0.00 C ATOM 1402 C ASN X 89 -11.440 2.295 -5.712 1.00 0.00 C ATOM 1403 O ASN X 89 -11.094 2.203 -4.534 1.00 0.00 O ATOM 1404 CB ASN X 89 -10.213 3.249 -7.672 1.00 0.00 C ATOM 1405 CG ASN X 89 -8.900 2.560 -7.286 1.00 0.00 C ATOM 1406 OD1 ASN X 89 -7.907 3.216 -6.987 1.00 0.00 O ATOM 1407 ND2 ASN X 89 -8.861 1.249 -7.346 1.00 0.00 N ATOM 0 H ASN X 89 -10.234 4.128 -4.698 1.00 0.00 H new ATOM 0 HA ASN X 89 -12.081 3.963 -6.897 1.00 0.00 H new ATOM 0 HB2 ASN X 89 -10.742 2.619 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN X 89 -9.981 4.184 -8.181 1.00 0.00 H new ATOM 0 HD21 ASN X 89 -7.992 0.755 -7.142 1.00 0.00 H new ATOM 0 HD22 ASN X 89 -9.699 0.725 -7.597 1.00 0.00 H new ATOM 1414 N ALA X 90 -12.071 1.349 -6.350 1.00 0.00 N ATOM 1415 CA ALA X 90 -12.319 0.068 -5.755 1.00 0.00 C ATOM 1416 C ALA X 90 -11.279 -0.886 -6.251 1.00 0.00 C ATOM 1417 O ALA X 90 -10.910 -0.820 -7.435 1.00 0.00 O ATOM 1418 CB ALA X 90 -13.710 -0.436 -6.096 1.00 0.00 C ATOM 0 H ALA X 90 -12.428 1.446 -7.300 1.00 0.00 H new ATOM 0 HA ALA X 90 -12.265 0.153 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA X 90 -13.869 -1.409 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA X 90 -14.454 0.269 -5.725 1.00 0.00 H new ATOM 0 HB3 ALA X 90 -13.808 -0.531 -7.177 1.00 0.00 H new ATOM 1424 N ALA X 91 -10.781 -1.718 -5.348 1.00 0.00 N ATOM 1425 CA ALA X 91 -9.760 -2.717 -5.632 1.00 0.00 C ATOM 1426 C ALA X 91 -8.418 -2.078 -5.999 1.00 0.00 C ATOM 1427 O ALA X 91 -8.129 -1.803 -7.163 1.00 0.00 O ATOM 1428 CB ALA X 91 -10.220 -3.731 -6.679 1.00 0.00 C ATOM 0 H ALA X 91 -11.083 -1.717 -4.374 1.00 0.00 H new ATOM 0 HA ALA X 91 -9.601 -3.274 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA X 91 -9.425 -4.455 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA X 91 -11.109 -4.249 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA X 91 -10.454 -3.213 -7.609 1.00 0.00 H new ATOM 1434 N GLY X 92 -7.645 -1.774 -4.990 1.00 0.00 N ATOM 1435 CA GLY X 92 -6.343 -1.193 -5.211 1.00 0.00 C ATOM 1436 C GLY X 92 -5.227 -2.148 -4.855 1.00 0.00 C ATOM 1437 O GLY X 92 -4.172 -2.155 -5.483 1.00 0.00 O ATOM 0 H GLY X 92 -7.891 -1.917 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY X 92 -6.250 -0.901 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY X 92 -6.246 -0.285 -4.616 1.00 0.00 H new ATOM 1441 N THR X 93 -5.465 -2.977 -3.871 1.00 0.00 N ATOM 1442 CA THR X 93 -4.459 -3.885 -3.405 1.00 0.00 C ATOM 1443 C THR X 93 -4.815 -5.319 -3.758 1.00 0.00 C ATOM 1444 O THR X 93 -6.001 -5.704 -3.723 1.00 0.00 O ATOM 1445 CB THR X 93 -4.237 -3.750 -1.876 1.00 0.00 C ATOM 1446 OG1 THR X 93 -3.222 -4.662 -1.438 1.00 0.00 O ATOM 1447 CG2 THR X 93 -5.522 -3.983 -1.098 1.00 0.00 C ATOM 0 H THR X 93 -6.355 -3.039 -3.376 1.00 0.00 H new ATOM 0 HA THR X 93 -3.528 -3.623 -3.908 1.00 0.00 H new ATOM 0 HB THR X 93 -3.911 -2.729 -1.680 1.00 0.00 H new ATOM 0 HG1 THR X 93 -3.598 -5.276 -0.773 1.00 0.00 H new ATOM 0 HG21 THR X 93 -5.325 -3.880 -0.031 1.00 0.00 H new ATOM 0 HG22 THR X 93 -6.269 -3.250 -1.402 1.00 0.00 H new ATOM 0 HG23 THR X 93 -5.894 -4.987 -1.303 1.00 0.00 H new ATOM 1455 N GLY X 94 -3.795 -6.106 -4.119 1.00 0.00 N ATOM 1456 CA GLY X 94 -3.988 -7.506 -4.455 1.00 0.00 C ATOM 1457 C GLY X 94 -4.675 -7.745 -5.780 1.00 0.00 C ATOM 1458 O GLY X 94 -4.099 -8.350 -6.693 1.00 0.00 O ATOM 0 H GLY X 94 -2.828 -5.788 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY X 94 -3.016 -8.000 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY X 94 -4.574 -7.978 -3.666 1.00 0.00 H new ATOM 1462 N ASP X 95 -5.875 -7.265 -5.883 1.00 0.00 N ATOM 1463 CA ASP X 95 -6.718 -7.482 -7.022 1.00 0.00 C ATOM 1464 C ASP X 95 -6.250 -6.629 -8.169 1.00 0.00 C ATOM 1465 O ASP X 95 -6.415 -5.408 -8.151 1.00 0.00 O ATOM 1466 CB ASP X 95 -8.147 -7.106 -6.674 1.00 0.00 C ATOM 1467 CG ASP X 95 -9.187 -7.955 -7.362 1.00 0.00 C ATOM 1468 OD1 ASP X 95 -9.315 -7.921 -8.596 1.00 0.00 O ATOM 1469 OD2 ASP X 95 -9.886 -8.715 -6.651 1.00 0.00 O ATOM 0 H ASP X 95 -6.309 -6.695 -5.157 1.00 0.00 H new ATOM 0 HA ASP X 95 -6.672 -8.533 -7.306 1.00 0.00 H new ATOM 0 HB2 ASP X 95 -8.281 -7.187 -5.595 1.00 0.00 H new ATOM 0 HB3 ASP X 95 -8.312 -6.061 -6.938 1.00 0.00 H new ATOM 1474 N GLU X 96 -5.618 -7.263 -9.119 1.00 0.00 N ATOM 1475 CA GLU X 96 -5.158 -6.618 -10.333 1.00 0.00 C ATOM 1476 C GLU X 96 -6.379 -6.127 -11.076 1.00 0.00 C ATOM 1477 O GLU X 96 -7.146 -6.934 -11.615 1.00 0.00 O ATOM 1478 CB GLU X 96 -4.410 -7.640 -11.170 1.00 0.00 C ATOM 1479 CG GLU X 96 -3.227 -8.245 -10.450 1.00 0.00 C ATOM 1480 CD GLU X 96 -2.761 -9.516 -11.086 1.00 0.00 C ATOM 1481 OE1 GLU X 96 -3.273 -10.590 -10.708 1.00 0.00 O ATOM 1482 OE2 GLU X 96 -1.874 -9.487 -11.945 1.00 0.00 O ATOM 0 H GLU X 96 -5.401 -8.259 -9.077 1.00 0.00 H new ATOM 0 HA GLU X 96 -4.492 -5.783 -10.117 1.00 0.00 H new ATOM 0 HB2 GLU X 96 -5.096 -8.435 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU X 96 -4.065 -7.166 -12.089 1.00 0.00 H new ATOM 0 HG2 GLU X 96 -2.407 -7.527 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU X 96 -3.497 -8.439 -9.412 1.00 0.00 H new ATOM 1489 N SER X 97 -6.592 -4.845 -11.037 1.00 0.00 N ATOM 1490 CA SER X 97 -7.769 -4.259 -11.587 1.00 0.00 C ATOM 1491 C SER X 97 -7.414 -3.042 -12.412 1.00 0.00 C ATOM 1492 O SER X 97 -6.503 -2.282 -12.059 1.00 0.00 O ATOM 1493 CB SER X 97 -8.693 -3.848 -10.445 1.00 0.00 C ATOM 1494 OG SER X 97 -8.887 -4.931 -9.546 1.00 0.00 O ATOM 0 H SER X 97 -5.946 -4.175 -10.619 1.00 0.00 H new ATOM 0 HA SER X 97 -8.266 -4.984 -12.231 1.00 0.00 H new ATOM 0 HB2 SER X 97 -8.266 -2.998 -9.913 1.00 0.00 H new ATOM 0 HB3 SER X 97 -9.654 -3.524 -10.846 1.00 0.00 H new ATOM 0 HG SER X 97 -8.073 -5.067 -9.017 1.00 0.00 H new ATOM 1500 N ASP X 98 -8.108 -2.875 -13.502 1.00 0.00 N ATOM 1501 CA ASP X 98 -7.942 -1.724 -14.360 1.00 0.00 C ATOM 1502 C ASP X 98 -8.893 -0.679 -13.851 1.00 0.00 C ATOM 1503 O ASP X 98 -9.870 -1.023 -13.162 1.00 0.00 O ATOM 1504 CB ASP X 98 -8.280 -2.072 -15.817 1.00 0.00 C ATOM 1505 CG ASP X 98 -7.462 -3.224 -16.351 1.00 0.00 C ATOM 1506 OD1 ASP X 98 -6.339 -3.004 -16.851 1.00 0.00 O ATOM 1507 OD2 ASP X 98 -7.926 -4.383 -16.280 1.00 0.00 O ATOM 0 H ASP X 98 -8.813 -3.537 -13.828 1.00 0.00 H new ATOM 0 HA ASP X 98 -6.910 -1.375 -14.343 1.00 0.00 H new ATOM 0 HB2 ASP X 98 -9.339 -2.320 -15.890 1.00 0.00 H new ATOM 0 HB3 ASP X 98 -8.115 -1.195 -16.443 1.00 0.00 H new ATOM 1512 N GLU X 99 -8.665 0.564 -14.154 1.00 0.00 N ATOM 1513 CA GLU X 99 -9.508 1.583 -13.598 1.00 0.00 C ATOM 1514 C GLU X 99 -10.525 2.118 -14.593 1.00 0.00 C ATOM 1515 O GLU X 99 -11.731 2.124 -14.302 1.00 0.00 O ATOM 1516 CB GLU X 99 -8.704 2.698 -12.902 1.00 0.00 C ATOM 1517 CG GLU X 99 -7.598 3.292 -13.739 1.00 0.00 C ATOM 1518 CD GLU X 99 -6.899 4.435 -13.071 1.00 0.00 C ATOM 1519 OE1 GLU X 99 -5.901 4.214 -12.350 1.00 0.00 O ATOM 1520 OE2 GLU X 99 -7.311 5.585 -13.279 1.00 0.00 O ATOM 0 H GLU X 99 -7.921 0.894 -14.769 1.00 0.00 H new ATOM 0 HA GLU X 99 -10.092 1.099 -12.815 1.00 0.00 H new ATOM 0 HB2 GLU X 99 -9.389 3.494 -12.611 1.00 0.00 H new ATOM 0 HB3 GLU X 99 -8.272 2.298 -11.985 1.00 0.00 H new ATOM 0 HG2 GLU X 99 -6.870 2.515 -13.971 1.00 0.00 H new ATOM 0 HG3 GLU X 99 -8.013 3.633 -14.688 1.00 0.00 H new ATOM 1527 N VAL X 100 -10.086 2.518 -15.773 1.00 0.00 N ATOM 1528 CA VAL X 100 -11.009 3.120 -16.728 1.00 0.00 C ATOM 1529 C VAL X 100 -10.959 2.510 -18.132 1.00 0.00 C ATOM 1530 O VAL X 100 -10.405 3.103 -19.069 1.00 0.00 O ATOM 1531 CB VAL X 100 -10.941 4.688 -16.778 1.00 0.00 C ATOM 1532 CG1 VAL X 100 -11.526 5.291 -15.512 1.00 0.00 C ATOM 1533 CG2 VAL X 100 -9.509 5.171 -16.944 1.00 0.00 C ATOM 0 H VAL X 100 -9.120 2.441 -16.091 1.00 0.00 H new ATOM 0 HA VAL X 100 -11.987 2.861 -16.323 1.00 0.00 H new ATOM 0 HB VAL X 100 -11.526 5.011 -17.639 1.00 0.00 H new ATOM 0 HG11 VAL X 100 -11.469 6.378 -15.567 1.00 0.00 H new ATOM 0 HG12 VAL X 100 -12.568 4.987 -15.412 1.00 0.00 H new ATOM 0 HG13 VAL X 100 -10.961 4.941 -14.648 1.00 0.00 H new ATOM 0 HG21 VAL X 100 -9.494 6.260 -16.975 1.00 0.00 H new ATOM 0 HG22 VAL X 100 -8.908 4.824 -16.103 1.00 0.00 H new ATOM 0 HG23 VAL X 100 -9.097 4.776 -17.872 1.00 0.00 H new ATOM 1543 N ASP X 101 -11.509 1.296 -18.242 1.00 0.00 N ATOM 1544 CA ASP X 101 -11.689 0.537 -19.515 1.00 0.00 C ATOM 1545 C ASP X 101 -10.382 0.161 -20.211 1.00 0.00 C ATOM 1546 O ASP X 101 -10.003 -1.002 -20.226 1.00 0.00 O ATOM 1547 CB ASP X 101 -12.633 1.250 -20.497 1.00 0.00 C ATOM 1548 CG ASP X 101 -12.842 0.453 -21.776 1.00 0.00 C ATOM 1549 OD1 ASP X 101 -13.709 -0.451 -21.791 1.00 0.00 O ATOM 1550 OD2 ASP X 101 -12.137 0.708 -22.783 1.00 0.00 O ATOM 0 H ASP X 101 -11.857 0.786 -17.430 1.00 0.00 H new ATOM 0 HA ASP X 101 -12.155 -0.398 -19.204 1.00 0.00 H new ATOM 0 HB2 ASP X 101 -13.596 1.419 -20.015 1.00 0.00 H new ATOM 0 HB3 ASP X 101 -12.224 2.230 -20.744 1.00 0.00 H new ATOM 1555 N GLU X 102 -9.719 1.141 -20.793 1.00 0.00 N ATOM 1556 CA GLU X 102 -8.476 0.931 -21.502 1.00 0.00 C ATOM 1557 C GLU X 102 -7.403 0.569 -20.484 1.00 0.00 C ATOM 1558 O GLU X 102 -6.798 -0.513 -20.541 1.00 0.00 O ATOM 1559 CB GLU X 102 -8.088 2.221 -22.242 1.00 0.00 C ATOM 1560 CG GLU X 102 -6.875 2.105 -23.155 1.00 0.00 C ATOM 1561 CD GLU X 102 -7.133 1.238 -24.359 1.00 0.00 C ATOM 1562 OE1 GLU X 102 -7.704 1.736 -25.352 1.00 0.00 O ATOM 1563 OE2 GLU X 102 -6.746 0.059 -24.353 1.00 0.00 O ATOM 0 H GLU X 102 -10.032 2.112 -20.786 1.00 0.00 H new ATOM 0 HA GLU X 102 -8.581 0.127 -22.231 1.00 0.00 H new ATOM 0 HB2 GLU X 102 -8.940 2.550 -22.837 1.00 0.00 H new ATOM 0 HB3 GLU X 102 -7.894 3.000 -21.504 1.00 0.00 H new ATOM 0 HG2 GLU X 102 -6.578 3.100 -23.486 1.00 0.00 H new ATOM 0 HG3 GLU X 102 -6.038 1.695 -22.590 1.00 0.00 H new ATOM 1570 N ASP X 103 -7.208 1.459 -19.534 1.00 0.00 N ATOM 1571 CA ASP X 103 -6.253 1.268 -18.473 1.00 0.00 C ATOM 1572 C ASP X 103 -6.613 2.233 -17.362 1.00 0.00 C ATOM 1573 O ASP X 103 -6.157 3.416 -17.397 1.00 0.00 O ATOM 1574 CB ASP X 103 -4.811 1.520 -18.970 1.00 0.00 C ATOM 1575 CG ASP X 103 -3.747 1.080 -17.977 1.00 0.00 C ATOM 1576 OD1 ASP X 103 -3.336 -0.110 -18.011 1.00 0.00 O ATOM 1577 OD2 ASP X 103 -3.280 1.896 -17.168 1.00 0.00 O ATOM 1578 OXT ASP X 103 -7.408 1.859 -16.483 1.00 0.00 O ATOM 0 H ASP X 103 -7.715 2.342 -19.480 1.00 0.00 H new ATOM 0 HA ASP X 103 -6.288 0.239 -18.115 1.00 0.00 H new ATOM 0 HB2 ASP X 103 -4.661 0.991 -19.911 1.00 0.00 H new ATOM 0 HB3 ASP X 103 -4.686 2.583 -19.178 1.00 0.00 H new TER 1583 ASP X 103