USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 745 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 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 10 ASN : amide:sc= 0.233 K(o=0.23,f=-11!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00625 USER MOD Single : A 18 THR OG1 : rot -92:sc= 1.16 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 169:sc= 0 (180deg=-0.148) USER MOD Single : A 43 TYR OH : rot 151:sc= 1.25 USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.24) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 64 ASN : amide:sc= 1.36 K(o=1.4,f=-5.6!) USER MOD Single : A 65 THR OG1 : rot -50:sc= 1.23 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 67 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 69 ASN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -139:sc= 0.753 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.14) USER MOD Single : A 91 TYR OH : rot -160:sc= 1.22 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.11) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.87 K(o=0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -1.748 -0.380 12.241 1.00 0.00 N ATOM 15 CA ASP A 2 -1.295 -1.644 11.631 1.00 0.00 C ATOM 16 C ASP A 2 -0.610 -1.449 10.260 1.00 0.00 C ATOM 17 O ASP A 2 0.123 -2.332 9.800 1.00 0.00 O ATOM 18 CB ASP A 2 -2.495 -2.603 11.515 1.00 0.00 C ATOM 19 CG ASP A 2 -2.979 -3.048 12.904 1.00 0.00 C ATOM 20 OD1 ASP A 2 -2.314 -3.909 13.532 1.00 0.00 O ATOM 21 OD2 ASP A 2 -4.014 -2.528 13.390 1.00 0.00 O ATOM 0 HA ASP A 2 -0.533 -2.072 12.282 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.309 -2.111 10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.212 -3.476 10.927 1.00 0.00 H new ATOM 26 N VAL A 3 -0.808 -0.290 9.610 1.00 0.00 N ATOM 27 CA VAL A 3 -0.063 0.133 8.405 1.00 0.00 C ATOM 28 C VAL A 3 1.383 0.493 8.767 1.00 0.00 C ATOM 29 O VAL A 3 1.617 1.282 9.685 1.00 0.00 O ATOM 30 CB VAL A 3 -0.749 1.345 7.740 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.004 1.831 6.502 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.178 1.021 7.284 1.00 0.00 C ATOM 0 H VAL A 3 -1.502 0.394 9.910 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.057 -0.700 7.702 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.756 2.117 8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.518 2.685 6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.014 2.128 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.054 1.027 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.621 1.903 6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.153 0.206 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.776 0.723 8.145 1.00 0.00 H new ATOM 42 N LEU A 4 2.353 -0.040 8.021 1.00 0.00 N ATOM 43 CA LEU A 4 3.773 0.301 8.123 1.00 0.00 C ATOM 44 C LEU A 4 4.061 1.700 7.553 1.00 0.00 C ATOM 45 O LEU A 4 3.650 2.034 6.443 1.00 0.00 O ATOM 46 CB LEU A 4 4.591 -0.754 7.359 1.00 0.00 C ATOM 47 CG LEU A 4 4.449 -2.210 7.852 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.205 -3.145 6.907 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.009 -2.386 9.265 1.00 0.00 C ATOM 0 H LEU A 4 2.165 -0.743 7.306 1.00 0.00 H new ATOM 0 HA LEU A 4 4.055 0.311 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.302 -0.718 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.644 -0.475 7.410 1.00 0.00 H new ATOM 0 HG LEU A 4 3.386 -2.452 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.105 -4.173 7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.790 -3.060 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.259 -2.869 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.891 -3.424 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.067 -2.123 9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.469 -1.737 9.954 1.00 0.00 H new ATOM 61 N GLU A 5 4.825 2.516 8.275 1.00 0.00 N ATOM 62 CA GLU A 5 5.171 3.891 7.877 1.00 0.00 C ATOM 63 C GLU A 5 6.602 3.982 7.321 1.00 0.00 C ATOM 64 O GLU A 5 7.521 4.546 7.927 1.00 0.00 O ATOM 65 CB GLU A 5 4.852 4.897 9.002 1.00 0.00 C ATOM 66 CG GLU A 5 5.430 4.557 10.390 1.00 0.00 C ATOM 67 CD GLU A 5 5.083 5.663 11.408 1.00 0.00 C ATOM 68 OE1 GLU A 5 4.014 5.579 12.062 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.880 6.621 11.574 1.00 0.00 O ATOM 0 H GLU A 5 5.231 2.242 9.170 1.00 0.00 H new ATOM 0 HA GLU A 5 4.532 4.182 7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.225 5.877 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.769 4.982 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.031 3.602 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.512 4.444 10.322 1.00 0.00 H new ATOM 76 N LEU A 6 6.799 3.365 6.150 1.00 0.00 N ATOM 77 CA LEU A 6 8.060 3.400 5.398 1.00 0.00 C ATOM 78 C LEU A 6 8.450 4.833 4.969 1.00 0.00 C ATOM 79 O LEU A 6 7.597 5.694 4.743 1.00 0.00 O ATOM 80 CB LEU A 6 7.954 2.488 4.156 1.00 0.00 C ATOM 81 CG LEU A 6 7.655 1.005 4.443 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.584 0.237 3.126 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.721 0.345 5.316 1.00 0.00 C ATOM 0 H LEU A 6 6.073 2.817 5.689 1.00 0.00 H new ATOM 0 HA LEU A 6 8.845 3.036 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.171 2.879 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.890 2.551 3.601 1.00 0.00 H new ATOM 0 HG LEU A 6 6.706 0.974 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.372 -0.813 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.792 0.654 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.537 0.321 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.458 -0.699 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.687 0.399 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.780 0.864 6.273 1.00 0.00 H new ATOM 95 N THR A 7 9.756 5.066 4.814 1.00 0.00 N ATOM 96 CA THR A 7 10.355 6.366 4.482 1.00 0.00 C ATOM 97 C THR A 7 11.592 6.194 3.600 1.00 0.00 C ATOM 98 O THR A 7 12.134 5.095 3.461 1.00 0.00 O ATOM 99 CB THR A 7 10.769 7.154 5.742 1.00 0.00 C ATOM 100 OG1 THR A 7 11.765 6.457 6.456 1.00 0.00 O ATOM 101 CG2 THR A 7 9.624 7.437 6.708 1.00 0.00 C ATOM 0 H THR A 7 10.453 4.329 4.920 1.00 0.00 H new ATOM 0 HA THR A 7 9.586 6.924 3.947 1.00 0.00 H new ATOM 0 HB THR A 7 11.134 8.109 5.365 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.018 6.971 7.251 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.001 7.994 7.566 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.858 8.024 6.202 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.194 6.495 7.048 1.00 0.00 H new ATOM 109 N ASP A 8 12.098 7.297 3.042 1.00 0.00 N ATOM 110 CA ASP A 8 13.332 7.360 2.251 1.00 0.00 C ATOM 111 C ASP A 8 14.578 6.845 3.006 1.00 0.00 C ATOM 112 O ASP A 8 15.579 6.470 2.391 1.00 0.00 O ATOM 113 CB ASP A 8 13.516 8.814 1.793 1.00 0.00 C ATOM 114 CG ASP A 8 14.389 8.937 0.539 1.00 0.00 C ATOM 115 OD1 ASP A 8 13.866 8.670 -0.568 1.00 0.00 O ATOM 116 OD2 ASP A 8 15.571 9.346 0.651 1.00 0.00 O ATOM 0 H ASP A 8 11.643 8.205 3.132 1.00 0.00 H new ATOM 0 HA ASP A 8 13.232 6.691 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.539 9.254 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.966 9.390 2.601 1.00 0.00 H new ATOM 121 N ASP A 9 14.518 6.795 4.347 1.00 0.00 N ATOM 122 CA ASP A 9 15.571 6.279 5.232 1.00 0.00 C ATOM 123 C ASP A 9 15.568 4.742 5.400 1.00 0.00 C ATOM 124 O ASP A 9 16.606 4.161 5.736 1.00 0.00 O ATOM 125 CB ASP A 9 15.382 6.942 6.607 1.00 0.00 C ATOM 126 CG ASP A 9 16.563 6.685 7.562 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.684 7.177 7.292 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.368 6.027 8.613 1.00 0.00 O ATOM 0 H ASP A 9 13.702 7.126 4.862 1.00 0.00 H new ATOM 0 HA ASP A 9 16.531 6.521 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.257 8.016 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.465 6.568 7.062 1.00 0.00 H new ATOM 133 N ASN A 10 14.424 4.073 5.171 1.00 0.00 N ATOM 134 CA ASN A 10 14.221 2.652 5.509 1.00 0.00 C ATOM 135 C ASN A 10 13.566 1.759 4.430 1.00 0.00 C ATOM 136 O ASN A 10 13.757 0.540 4.490 1.00 0.00 O ATOM 137 CB ASN A 10 13.488 2.538 6.863 1.00 0.00 C ATOM 138 CG ASN A 10 12.025 2.985 6.861 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.302 2.881 5.882 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.518 3.472 7.967 1.00 0.00 N ATOM 0 H ASN A 10 13.607 4.507 4.742 1.00 0.00 H new ATOM 0 HA ASN A 10 15.228 2.239 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.532 1.500 7.194 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.030 3.131 7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.539 3.755 7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.103 3.568 8.797 1.00 0.00 H new ATOM 147 N PHE A 11 12.839 2.309 3.445 1.00 0.00 N ATOM 148 CA PHE A 11 12.054 1.534 2.460 1.00 0.00 C ATOM 149 C PHE A 11 12.916 0.475 1.756 1.00 0.00 C ATOM 150 O PHE A 11 12.534 -0.691 1.636 1.00 0.00 O ATOM 151 CB PHE A 11 11.421 2.527 1.464 1.00 0.00 C ATOM 152 CG PHE A 11 10.497 1.935 0.404 1.00 0.00 C ATOM 153 CD1 PHE A 11 10.990 1.095 -0.616 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.128 2.269 0.410 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.121 0.538 -1.567 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.264 1.746 -0.571 1.00 0.00 C ATOM 157 CZ PHE A 11 8.758 0.872 -1.554 1.00 0.00 C ATOM 0 H PHE A 11 12.776 3.317 3.305 1.00 0.00 H new ATOM 0 HA PHE A 11 11.265 0.980 2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.858 3.267 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.225 3.060 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.047 0.878 -0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.740 2.930 1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.501 -0.148 -2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.219 2.017 -0.568 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.091 0.459 -2.297 1.00 0.00 H new ATOM 167 N GLU A 12 14.131 0.865 1.364 1.00 0.00 N ATOM 168 CA GLU A 12 15.117 0.068 0.612 1.00 0.00 C ATOM 169 C GLU A 12 15.720 -1.117 1.388 1.00 0.00 C ATOM 170 O GLU A 12 16.567 -1.849 0.872 1.00 0.00 O ATOM 171 CB GLU A 12 16.238 1.004 0.129 1.00 0.00 C ATOM 172 CG GLU A 12 15.762 2.015 -0.923 1.00 0.00 C ATOM 173 CD GLU A 12 16.953 2.784 -1.523 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.485 3.708 -0.860 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.368 2.472 -2.665 1.00 0.00 O ATOM 0 H GLU A 12 14.479 1.801 1.573 1.00 0.00 H new ATOM 0 HA GLU A 12 14.579 -0.384 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.648 1.543 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.048 0.406 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.223 1.495 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.062 2.717 -0.469 1.00 0.00 H new ATOM 182 N SER A 13 15.304 -1.318 2.643 1.00 0.00 N ATOM 183 CA SER A 13 15.714 -2.437 3.510 1.00 0.00 C ATOM 184 C SER A 13 14.538 -3.142 4.212 1.00 0.00 C ATOM 185 O SER A 13 14.761 -3.964 5.106 1.00 0.00 O ATOM 186 CB SER A 13 16.775 -1.947 4.507 1.00 0.00 C ATOM 187 OG SER A 13 17.894 -1.470 3.773 1.00 0.00 O ATOM 0 H SER A 13 14.649 -0.686 3.103 1.00 0.00 H new ATOM 0 HA SER A 13 16.149 -3.205 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.368 -1.155 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.075 -2.758 5.171 1.00 0.00 H new ATOM 0 HG SER A 13 18.581 -1.151 4.395 1.00 0.00 H new ATOM 193 N ARG A 14 13.296 -2.877 3.773 1.00 0.00 N ATOM 194 CA ARG A 14 12.064 -3.574 4.212 1.00 0.00 C ATOM 195 C ARG A 14 11.330 -4.322 3.103 1.00 0.00 C ATOM 196 O ARG A 14 10.431 -5.112 3.394 1.00 0.00 O ATOM 197 CB ARG A 14 11.085 -2.558 4.802 1.00 0.00 C ATOM 198 CG ARG A 14 11.570 -1.826 6.063 1.00 0.00 C ATOM 199 CD ARG A 14 12.053 -2.723 7.208 1.00 0.00 C ATOM 200 NE ARG A 14 11.026 -3.673 7.696 1.00 0.00 N ATOM 201 CZ ARG A 14 11.103 -4.387 8.810 1.00 0.00 C ATOM 202 NH1 ARG A 14 12.131 -4.317 9.607 1.00 0.00 N ATOM 203 NH2 ARG A 14 10.149 -5.200 9.154 1.00 0.00 N ATOM 0 H ARG A 14 13.110 -2.150 3.082 1.00 0.00 H new ATOM 0 HA ARG A 14 12.396 -4.312 4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.855 -1.815 4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.153 -3.072 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.383 -1.157 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.757 -1.201 6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.925 -3.285 6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.377 -2.095 8.038 1.00 0.00 H new ATOM 0 HE ARG A 14 10.188 -3.787 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.910 -3.698 9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.157 -4.881 10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.323 -5.297 8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.226 -5.741 10.015 1.00 0.00 H new ATOM 217 N ILE A 15 11.739 -4.153 1.844 1.00 0.00 N ATOM 218 CA ILE A 15 11.258 -4.945 0.692 1.00 0.00 C ATOM 219 C ILE A 15 11.397 -6.468 0.898 1.00 0.00 C ATOM 220 O ILE A 15 10.660 -7.266 0.319 1.00 0.00 O ATOM 221 CB ILE A 15 11.940 -4.508 -0.627 1.00 0.00 C ATOM 222 CG1 ILE A 15 13.382 -5.019 -0.855 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.887 -2.983 -0.789 1.00 0.00 C ATOM 224 CD1 ILE A 15 14.413 -4.609 0.205 1.00 0.00 C ATOM 0 H ILE A 15 12.429 -3.448 1.583 1.00 0.00 H new ATOM 0 HA ILE A 15 10.191 -4.734 0.617 1.00 0.00 H new ATOM 0 HB ILE A 15 11.350 -5.000 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 15 13.357 -6.107 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 15 13.725 -4.660 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.372 -2.699 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.848 -2.655 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.403 -2.510 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.387 -5.022 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.479 -3.522 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.106 -4.991 1.178 1.00 0.00 H new ATOM 236 N SER A 16 12.336 -6.847 1.766 1.00 0.00 N ATOM 237 CA SER A 16 12.670 -8.227 2.154 1.00 0.00 C ATOM 238 C SER A 16 11.728 -8.816 3.219 1.00 0.00 C ATOM 239 O SER A 16 11.691 -10.032 3.415 1.00 0.00 O ATOM 240 CB SER A 16 14.114 -8.262 2.676 1.00 0.00 C ATOM 241 OG SER A 16 14.294 -7.316 3.722 1.00 0.00 O ATOM 0 H SER A 16 12.920 -6.163 2.247 1.00 0.00 H new ATOM 0 HA SER A 16 12.553 -8.844 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.350 -9.262 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.806 -8.047 1.861 1.00 0.00 H new ATOM 0 HG SER A 16 15.219 -7.355 4.042 1.00 0.00 H new ATOM 247 N ASP A 17 10.916 -7.979 3.879 1.00 0.00 N ATOM 248 CA ASP A 17 9.899 -8.378 4.867 1.00 0.00 C ATOM 249 C ASP A 17 8.641 -9.007 4.213 1.00 0.00 C ATOM 250 O ASP A 17 7.720 -9.459 4.892 1.00 0.00 O ATOM 251 CB ASP A 17 9.546 -7.132 5.694 1.00 0.00 C ATOM 252 CG ASP A 17 8.858 -7.412 7.035 1.00 0.00 C ATOM 253 OD1 ASP A 17 9.061 -8.492 7.641 1.00 0.00 O ATOM 254 OD2 ASP A 17 8.187 -6.482 7.552 1.00 0.00 O ATOM 0 H ASP A 17 10.949 -6.970 3.736 1.00 0.00 H new ATOM 0 HA ASP A 17 10.304 -9.161 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.461 -6.570 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.896 -6.492 5.097 1.00 0.00 H new ATOM 259 N THR A 18 8.611 -9.045 2.875 1.00 0.00 N ATOM 260 CA THR A 18 7.558 -9.659 2.045 1.00 0.00 C ATOM 261 C THR A 18 7.389 -11.166 2.222 1.00 0.00 C ATOM 262 O THR A 18 6.305 -11.679 1.948 1.00 0.00 O ATOM 263 CB THR A 18 7.811 -9.408 0.547 1.00 0.00 C ATOM 264 OG1 THR A 18 9.158 -9.606 0.178 1.00 0.00 O ATOM 265 CG2 THR A 18 7.435 -7.984 0.182 1.00 0.00 C ATOM 0 H THR A 18 9.353 -8.630 2.312 1.00 0.00 H new ATOM 0 HA THR A 18 6.646 -9.175 2.394 1.00 0.00 H new ATOM 0 HB THR A 18 7.194 -10.130 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.643 -8.757 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.619 -7.820 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.379 -7.820 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.037 -7.288 0.766 1.00 0.00 H new ATOM 273 N GLY A 19 8.418 -11.884 2.678 1.00 0.00 N ATOM 274 CA GLY A 19 8.436 -13.351 2.797 1.00 0.00 C ATOM 275 C GLY A 19 7.235 -13.980 3.525 1.00 0.00 C ATOM 276 O GLY A 19 6.836 -15.102 3.195 1.00 0.00 O ATOM 0 H GLY A 19 9.289 -11.452 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.493 -13.777 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.347 -13.643 3.320 1.00 0.00 H new ATOM 280 N SER A 20 6.621 -13.257 4.469 1.00 0.00 N ATOM 281 CA SER A 20 5.467 -13.720 5.256 1.00 0.00 C ATOM 282 C SER A 20 4.132 -13.808 4.497 1.00 0.00 C ATOM 283 O SER A 20 3.221 -14.516 4.934 1.00 0.00 O ATOM 284 CB SER A 20 5.263 -12.810 6.477 1.00 0.00 C ATOM 285 OG SER A 20 6.414 -12.839 7.306 1.00 0.00 O ATOM 0 H SER A 20 6.918 -12.312 4.714 1.00 0.00 H new ATOM 0 HA SER A 20 5.727 -14.741 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.067 -11.789 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.390 -13.137 7.042 1.00 0.00 H new ATOM 0 HG SER A 20 6.274 -12.255 8.080 1.00 0.00 H new ATOM 291 N ALA A 21 4.020 -13.124 3.356 1.00 0.00 N ATOM 292 CA ALA A 21 2.820 -13.116 2.502 1.00 0.00 C ATOM 293 C ALA A 21 3.124 -13.283 0.997 1.00 0.00 C ATOM 294 O ALA A 21 2.207 -13.426 0.187 1.00 0.00 O ATOM 295 CB ALA A 21 2.073 -11.805 2.772 1.00 0.00 C ATOM 0 H ALA A 21 4.776 -12.546 2.988 1.00 0.00 H new ATOM 0 HA ALA A 21 2.208 -13.981 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.176 -11.764 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.792 -11.756 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.719 -10.961 2.529 1.00 0.00 H new ATOM 301 N GLY A 22 4.405 -13.252 0.614 1.00 0.00 N ATOM 302 CA GLY A 22 4.879 -13.312 -0.775 1.00 0.00 C ATOM 303 C GLY A 22 4.877 -11.960 -1.510 1.00 0.00 C ATOM 304 O GLY A 22 5.444 -11.873 -2.601 1.00 0.00 O ATOM 0 H GLY A 22 5.169 -13.182 1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.892 -13.714 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.254 -14.013 -1.329 1.00 0.00 H new ATOM 308 N LEU A 23 4.278 -10.907 -0.936 1.00 0.00 N ATOM 309 CA LEU A 23 4.211 -9.560 -1.516 1.00 0.00 C ATOM 310 C LEU A 23 4.034 -8.466 -0.453 1.00 0.00 C ATOM 311 O LEU A 23 3.749 -8.750 0.713 1.00 0.00 O ATOM 312 CB LEU A 23 3.107 -9.515 -2.602 1.00 0.00 C ATOM 313 CG LEU A 23 1.635 -9.619 -2.138 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.068 -8.295 -1.620 1.00 0.00 C ATOM 315 CD2 LEU A 23 0.766 -10.050 -3.321 1.00 0.00 C ATOM 0 H LEU A 23 3.814 -10.972 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 23 5.169 -9.344 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.219 -8.582 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.295 -10.327 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 23 1.620 -10.341 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.033 -8.439 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.657 -7.955 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.110 -7.547 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.273 -10.125 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.847 -9.313 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.104 -11.020 -3.687 1.00 0.00 H new ATOM 327 N MET A 24 4.148 -7.206 -0.885 1.00 0.00 N ATOM 328 CA MET A 24 3.829 -5.990 -0.121 1.00 0.00 C ATOM 329 C MET A 24 2.814 -5.157 -0.907 1.00 0.00 C ATOM 330 O MET A 24 2.929 -5.024 -2.128 1.00 0.00 O ATOM 331 CB MET A 24 5.119 -5.168 0.102 1.00 0.00 C ATOM 332 CG MET A 24 4.928 -3.861 0.885 1.00 0.00 C ATOM 333 SD MET A 24 4.379 -4.047 2.602 1.00 0.00 S ATOM 334 CE MET A 24 5.830 -4.844 3.339 1.00 0.00 C ATOM 0 H MET A 24 4.482 -6.993 -1.825 1.00 0.00 H new ATOM 0 HA MET A 24 3.407 -6.262 0.846 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.841 -5.789 0.632 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.554 -4.932 -0.869 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.872 -3.316 0.882 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.202 -3.244 0.355 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.731 -4.849 4.424 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.905 -5.869 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.729 -4.294 3.059 1.00 0.00 H new ATOM 344 N LEU A 25 1.854 -4.554 -0.208 1.00 0.00 N ATOM 345 CA LEU A 25 0.953 -3.533 -0.747 1.00 0.00 C ATOM 346 C LEU A 25 1.354 -2.185 -0.136 1.00 0.00 C ATOM 347 O LEU A 25 1.452 -2.061 1.085 1.00 0.00 O ATOM 348 CB LEU A 25 -0.502 -3.915 -0.421 1.00 0.00 C ATOM 349 CG LEU A 25 -1.543 -2.829 -0.764 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.536 -2.411 -2.236 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.946 -3.327 -0.445 1.00 0.00 C ATOM 0 H LEU A 25 1.676 -4.766 0.774 1.00 0.00 H new ATOM 0 HA LEU A 25 1.029 -3.460 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.755 -4.826 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.574 -4.146 0.642 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.267 -1.965 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.294 -1.645 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.555 -2.013 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.754 -3.277 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.672 -2.552 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.157 -4.221 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.015 -3.565 0.617 1.00 0.00 H new ATOM 363 N VAL A 26 1.583 -1.170 -0.971 1.00 0.00 N ATOM 364 CA VAL A 26 1.999 0.168 -0.517 1.00 0.00 C ATOM 365 C VAL A 26 1.131 1.267 -1.124 1.00 0.00 C ATOM 366 O VAL A 26 0.663 1.145 -2.257 1.00 0.00 O ATOM 367 CB VAL A 26 3.508 0.386 -0.763 1.00 0.00 C ATOM 368 CG1 VAL A 26 3.862 0.453 -2.247 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.033 1.649 -0.072 1.00 0.00 C ATOM 0 H VAL A 26 1.486 -1.248 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 26 1.842 0.227 0.560 1.00 0.00 H new ATOM 0 HB VAL A 26 3.992 -0.488 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.935 0.607 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.578 -0.481 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.326 1.281 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.098 1.759 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.500 2.520 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.875 1.568 1.003 1.00 0.00 H new ATOM 379 N GLU A 27 0.936 2.349 -0.371 1.00 0.00 N ATOM 380 CA GLU A 27 0.172 3.541 -0.746 1.00 0.00 C ATOM 381 C GLU A 27 1.095 4.772 -0.731 1.00 0.00 C ATOM 382 O GLU A 27 1.440 5.312 0.324 1.00 0.00 O ATOM 383 CB GLU A 27 -1.024 3.700 0.205 1.00 0.00 C ATOM 384 CG GLU A 27 -1.877 4.922 -0.143 1.00 0.00 C ATOM 385 CD GLU A 27 -3.067 5.044 0.826 1.00 0.00 C ATOM 386 OE1 GLU A 27 -4.133 4.450 0.544 1.00 0.00 O ATOM 387 OE2 GLU A 27 -2.942 5.748 1.862 1.00 0.00 O ATOM 0 H GLU A 27 1.327 2.423 0.568 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.220 3.438 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.642 2.803 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.663 3.790 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.267 5.824 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.241 4.839 -1.167 1.00 0.00 H new ATOM 394 N PHE A 28 1.526 5.209 -1.913 1.00 0.00 N ATOM 395 CA PHE A 28 2.251 6.468 -2.086 1.00 0.00 C ATOM 396 C PHE A 28 1.241 7.626 -2.147 1.00 0.00 C ATOM 397 O PHE A 28 0.310 7.605 -2.958 1.00 0.00 O ATOM 398 CB PHE A 28 3.088 6.414 -3.366 1.00 0.00 C ATOM 399 CG PHE A 28 4.077 5.267 -3.482 1.00 0.00 C ATOM 400 CD1 PHE A 28 5.357 5.371 -2.902 1.00 0.00 C ATOM 401 CD2 PHE A 28 3.743 4.116 -4.226 1.00 0.00 C ATOM 402 CE1 PHE A 28 6.275 4.313 -3.031 1.00 0.00 C ATOM 403 CE2 PHE A 28 4.678 3.075 -4.376 1.00 0.00 C ATOM 404 CZ PHE A 28 5.935 3.163 -3.761 1.00 0.00 C ATOM 0 H PHE A 28 1.381 4.697 -2.783 1.00 0.00 H new ATOM 0 HA PHE A 28 2.924 6.627 -1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.408 6.365 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.640 7.350 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.633 6.263 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.767 4.033 -4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.247 4.386 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.427 2.206 -4.966 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.639 2.349 -3.849 1.00 0.00 H new ATOM 414 N PHE A 29 1.397 8.632 -1.287 1.00 0.00 N ATOM 415 CA PHE A 29 0.430 9.726 -1.128 1.00 0.00 C ATOM 416 C PHE A 29 1.091 11.038 -0.658 1.00 0.00 C ATOM 417 O PHE A 29 2.248 11.042 -0.253 1.00 0.00 O ATOM 418 CB PHE A 29 -0.678 9.250 -0.166 1.00 0.00 C ATOM 419 CG PHE A 29 -1.771 10.261 0.131 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.478 10.886 -0.916 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.061 10.603 1.462 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.444 11.867 -0.634 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.044 11.565 1.745 1.00 0.00 C ATOM 424 CZ PHE A 29 -3.722 12.211 0.695 1.00 0.00 C ATOM 0 H PHE A 29 2.207 8.714 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.006 9.966 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.139 8.356 -0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.214 8.956 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.276 10.610 -1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.527 10.125 2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.971 12.355 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.280 11.809 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.457 12.972 0.914 1.00 0.00 H new ATOM 434 N ALA A 30 0.372 12.158 -0.700 1.00 0.00 N ATOM 435 CA ALA A 30 0.813 13.483 -0.250 1.00 0.00 C ATOM 436 C ALA A 30 -0.170 13.990 0.835 1.00 0.00 C ATOM 437 O ALA A 30 -1.251 14.489 0.494 1.00 0.00 O ATOM 438 CB ALA A 30 0.846 14.397 -1.480 1.00 0.00 C ATOM 0 H ALA A 30 -0.580 12.170 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 30 1.808 13.461 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.171 15.394 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.542 13.993 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.151 14.455 -1.917 1.00 0.00 H new ATOM 444 N PRO A 31 0.155 13.864 2.139 1.00 0.00 N ATOM 445 CA PRO A 31 -0.787 14.122 3.243 1.00 0.00 C ATOM 446 C PRO A 31 -1.269 15.579 3.367 1.00 0.00 C ATOM 447 O PRO A 31 -2.233 15.838 4.086 1.00 0.00 O ATOM 448 CB PRO A 31 -0.081 13.642 4.515 1.00 0.00 C ATOM 449 CG PRO A 31 1.398 13.730 4.158 1.00 0.00 C ATOM 450 CD PRO A 31 1.409 13.361 2.675 1.00 0.00 C ATOM 0 HA PRO A 31 -1.715 13.582 3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.325 14.271 5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.371 12.624 4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.797 14.730 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.999 13.041 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.262 13.810 2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.489 12.282 2.540 1.00 0.00 H new ATOM 550 N ARG A 38 -10.315 11.711 4.222 1.00 0.00 N ATOM 551 CA ARG A 38 -11.236 10.682 3.704 1.00 0.00 C ATOM 552 C ARG A 38 -10.573 9.302 3.609 1.00 0.00 C ATOM 553 O ARG A 38 -11.232 8.296 3.875 1.00 0.00 O ATOM 554 CB ARG A 38 -11.756 11.103 2.319 1.00 0.00 C ATOM 555 CG ARG A 38 -12.567 12.413 2.355 1.00 0.00 C ATOM 556 CD ARG A 38 -13.049 12.848 0.966 1.00 0.00 C ATOM 557 NE ARG A 38 -14.048 11.914 0.393 1.00 0.00 N ATOM 558 CZ ARG A 38 -15.350 11.899 0.621 1.00 0.00 C ATOM 559 NH1 ARG A 38 -15.923 12.728 1.449 1.00 0.00 N ATOM 560 NH2 ARG A 38 -16.113 11.031 0.020 1.00 0.00 N ATOM 0 HA ARG A 38 -12.064 10.599 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.911 11.223 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.380 10.307 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.428 12.284 3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.953 13.204 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.485 13.845 1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.194 12.918 0.294 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.691 11.205 -0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.363 13.420 1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.931 12.685 1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.706 10.358 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.117 11.024 0.200 1.00 0.00 H new ATOM 574 N LEU A 39 -9.290 9.256 3.239 1.00 0.00 N ATOM 575 CA LEU A 39 -8.567 8.018 2.916 1.00 0.00 C ATOM 576 C LEU A 39 -7.798 7.414 4.102 1.00 0.00 C ATOM 577 O LEU A 39 -7.698 6.188 4.190 1.00 0.00 O ATOM 578 CB LEU A 39 -7.620 8.328 1.745 1.00 0.00 C ATOM 579 CG LEU A 39 -6.826 7.119 1.221 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.723 6.022 0.652 1.00 0.00 C ATOM 581 CD2 LEU A 39 -5.890 7.589 0.106 1.00 0.00 C ATOM 0 H LEU A 39 -8.712 10.092 3.153 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.298 7.256 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.204 8.745 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.916 9.099 2.059 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.279 6.702 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.107 5.195 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.398 5.664 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.305 6.422 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.321 6.740 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.477 8.023 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.204 8.339 0.499 1.00 0.00 H new ATOM 593 N ALA A 40 -7.275 8.229 5.023 1.00 0.00 N ATOM 594 CA ALA A 40 -6.494 7.738 6.165 1.00 0.00 C ATOM 595 C ALA A 40 -7.167 6.619 6.992 1.00 0.00 C ATOM 596 O ALA A 40 -6.501 5.615 7.263 1.00 0.00 O ATOM 597 CB ALA A 40 -6.068 8.918 7.039 1.00 0.00 C ATOM 0 H ALA A 40 -7.380 9.243 4.999 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.614 7.250 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.488 8.552 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.458 9.605 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.953 9.439 7.403 1.00 0.00 H new ATOM 603 N PRO A 41 -8.473 6.697 7.356 1.00 0.00 N ATOM 604 CA PRO A 41 -9.129 5.638 8.129 1.00 0.00 C ATOM 605 C PRO A 41 -9.450 4.375 7.308 1.00 0.00 C ATOM 606 O PRO A 41 -9.634 3.304 7.889 1.00 0.00 O ATOM 607 CB PRO A 41 -10.405 6.280 8.685 1.00 0.00 C ATOM 608 CG PRO A 41 -10.763 7.318 7.630 1.00 0.00 C ATOM 609 CD PRO A 41 -9.395 7.816 7.169 1.00 0.00 C ATOM 0 HA PRO A 41 -8.463 5.277 8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.201 5.547 8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.233 6.739 9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.332 6.881 6.809 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.368 8.124 8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.425 8.126 6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.079 8.683 7.750 1.00 0.00 H new ATOM 617 N GLU A 42 -9.493 4.465 5.972 1.00 0.00 N ATOM 618 CA GLU A 42 -9.813 3.313 5.113 1.00 0.00 C ATOM 619 C GLU A 42 -8.644 2.322 5.031 1.00 0.00 C ATOM 620 O GLU A 42 -8.833 1.107 5.073 1.00 0.00 O ATOM 621 CB GLU A 42 -10.147 3.788 3.690 1.00 0.00 C ATOM 622 CG GLU A 42 -11.456 4.587 3.602 1.00 0.00 C ATOM 623 CD GLU A 42 -12.679 3.738 3.989 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.818 2.610 3.463 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.502 4.187 4.823 1.00 0.00 O ATOM 0 H GLU A 42 -9.309 5.327 5.459 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.671 2.811 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.328 4.405 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.215 2.921 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.395 5.455 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.583 4.963 2.587 1.00 0.00 H new ATOM 632 N TYR A 43 -7.421 2.828 4.919 1.00 0.00 N ATOM 633 CA TYR A 43 -6.245 1.988 4.723 1.00 0.00 C ATOM 634 C TYR A 43 -5.799 1.274 6.021 1.00 0.00 C ATOM 635 O TYR A 43 -5.337 0.136 5.982 1.00 0.00 O ATOM 636 CB TYR A 43 -5.153 2.864 4.101 1.00 0.00 C ATOM 637 CG TYR A 43 -4.029 2.096 3.438 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.280 1.288 2.310 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.714 2.249 3.910 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.215 0.637 1.659 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.651 1.602 3.266 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.895 0.802 2.132 1.00 0.00 C ATOM 643 OH TYR A 43 -0.849 0.217 1.492 1.00 0.00 O ATOM 0 H TYR A 43 -7.217 3.827 4.961 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.478 1.167 4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.611 3.522 3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.731 3.501 4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.290 1.169 1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.522 2.868 4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.407 0.012 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.644 1.717 3.639 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.042 0.758 1.622 1.00 0.00 H new ATOM 653 N GLU A 44 -6.024 1.883 7.198 1.00 0.00 N ATOM 654 CA GLU A 44 -5.853 1.233 8.513 1.00 0.00 C ATOM 655 C GLU A 44 -6.844 0.089 8.725 1.00 0.00 C ATOM 656 O GLU A 44 -6.506 -0.983 9.230 1.00 0.00 O ATOM 657 CB GLU A 44 -6.064 2.244 9.646 1.00 0.00 C ATOM 658 CG GLU A 44 -5.018 3.346 9.580 1.00 0.00 C ATOM 659 CD GLU A 44 -4.908 4.107 10.913 1.00 0.00 C ATOM 660 OE1 GLU A 44 -5.773 4.969 11.206 1.00 0.00 O ATOM 661 OE2 GLU A 44 -3.951 3.840 11.681 1.00 0.00 O ATOM 0 H GLU A 44 -6.334 2.853 7.266 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.837 0.838 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.062 2.677 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.006 1.737 10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.050 2.914 9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.274 4.044 8.783 1.00 0.00 H new ATOM 668 N ALA A 45 -8.076 0.322 8.290 1.00 0.00 N ATOM 669 CA ALA A 45 -9.145 -0.677 8.295 1.00 0.00 C ATOM 670 C ALA A 45 -8.797 -1.873 7.388 1.00 0.00 C ATOM 671 O ALA A 45 -8.943 -3.015 7.816 1.00 0.00 O ATOM 672 CB ALA A 45 -10.476 -0.010 7.938 1.00 0.00 C ATOM 0 H ALA A 45 -8.369 1.225 7.917 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.251 -1.093 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.270 -0.757 7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.703 0.765 8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.404 0.437 6.947 1.00 0.00 H new ATOM 678 N ALA A 46 -8.241 -1.642 6.195 1.00 0.00 N ATOM 679 CA ALA A 46 -7.706 -2.703 5.345 1.00 0.00 C ATOM 680 C ALA A 46 -6.560 -3.478 6.018 1.00 0.00 C ATOM 681 O ALA A 46 -6.551 -4.710 6.005 1.00 0.00 O ATOM 682 CB ALA A 46 -7.244 -2.094 4.023 1.00 0.00 C ATOM 0 H ALA A 46 -8.150 -0.709 5.793 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.500 -3.428 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.843 -2.879 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.089 -1.617 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.470 -1.351 4.215 1.00 0.00 H new ATOM 688 N ALA A 47 -5.613 -2.781 6.658 1.00 0.00 N ATOM 689 CA ALA A 47 -4.476 -3.405 7.343 1.00 0.00 C ATOM 690 C ALA A 47 -4.914 -4.241 8.559 1.00 0.00 C ATOM 691 O ALA A 47 -4.334 -5.289 8.837 1.00 0.00 O ATOM 692 CB ALA A 47 -3.489 -2.309 7.762 1.00 0.00 C ATOM 0 H ALA A 47 -5.615 -1.763 6.715 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.994 -4.097 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.639 -2.761 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.140 -1.776 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.986 -1.609 8.434 1.00 0.00 H new ATOM 698 N THR A 48 -5.979 -3.813 9.249 1.00 0.00 N ATOM 699 CA THR A 48 -6.655 -4.559 10.326 1.00 0.00 C ATOM 700 C THR A 48 -7.354 -5.815 9.788 1.00 0.00 C ATOM 701 O THR A 48 -7.217 -6.895 10.366 1.00 0.00 O ATOM 702 CB THR A 48 -7.698 -3.665 11.033 1.00 0.00 C ATOM 703 OG1 THR A 48 -7.115 -2.454 11.475 1.00 0.00 O ATOM 704 CG2 THR A 48 -8.311 -4.333 12.266 1.00 0.00 C ATOM 0 H THR A 48 -6.411 -2.907 9.069 1.00 0.00 H new ATOM 0 HA THR A 48 -5.888 -4.863 11.038 1.00 0.00 H new ATOM 0 HB THR A 48 -8.473 -3.485 10.288 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.896 -1.894 10.701 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.036 -3.659 12.722 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.809 -5.256 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.524 -4.560 12.986 1.00 0.00 H new ATOM 712 N ARG A 49 -8.083 -5.689 8.665 1.00 0.00 N ATOM 713 CA ARG A 49 -8.889 -6.767 8.058 1.00 0.00 C ATOM 714 C ARG A 49 -8.065 -7.823 7.303 1.00 0.00 C ATOM 715 O ARG A 49 -8.533 -8.949 7.126 1.00 0.00 O ATOM 716 CB ARG A 49 -9.966 -6.142 7.144 1.00 0.00 C ATOM 717 CG ARG A 49 -11.066 -5.430 7.961 1.00 0.00 C ATOM 718 CD ARG A 49 -11.977 -4.546 7.100 1.00 0.00 C ATOM 719 NE ARG A 49 -12.857 -5.335 6.215 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.706 -4.834 5.334 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.886 -3.553 5.174 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.419 -5.594 4.563 1.00 0.00 N ATOM 0 H ARG A 49 -8.130 -4.815 8.141 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.358 -7.313 8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.498 -5.429 6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.417 -6.920 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.673 -6.178 8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.599 -4.818 8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.588 -3.918 7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.364 -3.878 6.495 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.806 -6.351 6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.360 -2.889 5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.553 -3.214 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.333 -6.608 4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.066 -5.178 3.893 1.00 0.00 H new ATOM 736 N LEU A 50 -6.831 -7.486 6.912 1.00 0.00 N ATOM 737 CA LEU A 50 -5.879 -8.361 6.206 1.00 0.00 C ATOM 738 C LEU A 50 -4.622 -8.670 7.043 1.00 0.00 C ATOM 739 O LEU A 50 -3.629 -9.153 6.499 1.00 0.00 O ATOM 740 CB LEU A 50 -5.514 -7.734 4.843 1.00 0.00 C ATOM 741 CG LEU A 50 -6.688 -7.486 3.884 1.00 0.00 C ATOM 742 CD1 LEU A 50 -6.159 -6.890 2.581 1.00 0.00 C ATOM 743 CD2 LEU A 50 -7.458 -8.758 3.535 1.00 0.00 C ATOM 0 H LEU A 50 -6.449 -6.556 7.085 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.366 -9.322 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.011 -6.784 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.795 -8.385 4.346 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.369 -6.808 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.990 -6.713 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.654 -5.947 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.455 -7.584 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.274 -8.514 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.786 -9.470 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.864 -9.199 4.445 1.00 0.00 H new ATOM 755 N LYS A 51 -4.643 -8.406 8.354 1.00 0.00 N ATOM 756 CA LYS A 51 -3.512 -8.628 9.274 1.00 0.00 C ATOM 757 C LYS A 51 -3.032 -10.084 9.262 1.00 0.00 C ATOM 758 O LYS A 51 -3.802 -11.006 9.545 1.00 0.00 O ATOM 759 CB LYS A 51 -3.925 -8.168 10.685 1.00 0.00 C ATOM 760 CG LYS A 51 -2.718 -8.139 11.640 1.00 0.00 C ATOM 761 CD LYS A 51 -3.056 -7.372 12.924 1.00 0.00 C ATOM 762 CE LYS A 51 -1.825 -7.300 13.841 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.035 -6.321 14.935 1.00 0.00 N ATOM 0 H LYS A 51 -5.465 -8.023 8.820 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.660 -8.037 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.372 -7.175 10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.688 -8.839 11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.420 -9.158 11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.868 -7.670 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.393 -6.365 12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.877 -7.864 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.623 -8.285 14.263 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.949 -7.017 13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.204 -6.315 15.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.171 -5.372 14.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.878 -6.588 15.483 1.00 0.00 H new ATOM 777 N GLY A 52 -1.764 -10.286 8.902 1.00 0.00 N ATOM 778 CA GLY A 52 -1.153 -11.612 8.721 1.00 0.00 C ATOM 779 C GLY A 52 -1.416 -12.270 7.356 1.00 0.00 C ATOM 780 O GLY A 52 -0.904 -13.359 7.101 1.00 0.00 O ATOM 0 H GLY A 52 -1.116 -9.519 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.076 -11.521 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.522 -12.275 9.504 1.00 0.00 H new ATOM 784 N ILE A 53 -2.204 -11.626 6.477 1.00 0.00 N ATOM 785 CA ILE A 53 -2.601 -12.126 5.144 1.00 0.00 C ATOM 786 C ILE A 53 -1.964 -11.273 4.027 1.00 0.00 C ATOM 787 O ILE A 53 -1.473 -11.818 3.041 1.00 0.00 O ATOM 788 CB ILE A 53 -4.146 -12.153 5.010 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.887 -12.792 6.208 1.00 0.00 C ATOM 790 CG2 ILE A 53 -4.587 -12.835 3.705 1.00 0.00 C ATOM 791 CD1 ILE A 53 -4.520 -14.248 6.502 1.00 0.00 C ATOM 0 H ILE A 53 -2.598 -10.708 6.681 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.233 -13.147 5.037 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.434 -11.102 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.685 -12.197 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.960 -12.735 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.675 -12.836 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.177 -12.292 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.222 -13.862 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.093 -14.602 7.359 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.749 -14.864 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.455 -14.317 6.725 1.00 0.00 H new ATOM 803 N VAL A 54 -1.908 -9.946 4.215 1.00 0.00 N ATOM 804 CA VAL A 54 -1.191 -8.982 3.360 1.00 0.00 C ATOM 805 C VAL A 54 -0.606 -7.865 4.249 1.00 0.00 C ATOM 806 O VAL A 54 -1.378 -7.182 4.940 1.00 0.00 O ATOM 807 CB VAL A 54 -2.117 -8.336 2.297 1.00 0.00 C ATOM 808 CG1 VAL A 54 -1.308 -7.476 1.322 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.872 -9.359 1.445 1.00 0.00 C ATOM 0 H VAL A 54 -2.380 -9.494 4.999 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.405 -9.525 2.835 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.831 -7.745 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.978 -7.033 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.799 -6.684 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.571 -8.098 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.501 -8.838 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.158 -9.990 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.496 -9.979 2.089 1.00 0.00 H new ATOM 819 N PRO A 55 0.720 -7.628 4.250 1.00 0.00 N ATOM 820 CA PRO A 55 1.294 -6.450 4.897 1.00 0.00 C ATOM 821 C PRO A 55 0.983 -5.194 4.063 1.00 0.00 C ATOM 822 O PRO A 55 1.136 -5.193 2.834 1.00 0.00 O ATOM 823 CB PRO A 55 2.794 -6.738 4.989 1.00 0.00 C ATOM 824 CG PRO A 55 3.064 -7.634 3.781 1.00 0.00 C ATOM 825 CD PRO A 55 1.764 -8.423 3.625 1.00 0.00 C ATOM 0 HA PRO A 55 0.881 -6.259 5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.381 -5.821 4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.050 -7.238 5.923 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.288 -7.049 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.915 -8.293 3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.541 -8.598 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.844 -9.400 4.101 1.00 0.00 H new ATOM 833 N LEU A 56 0.561 -4.121 4.741 1.00 0.00 N ATOM 834 CA LEU A 56 0.245 -2.826 4.138 1.00 0.00 C ATOM 835 C LEU A 56 1.229 -1.765 4.638 1.00 0.00 C ATOM 836 O LEU A 56 1.579 -1.737 5.821 1.00 0.00 O ATOM 837 CB LEU A 56 -1.205 -2.406 4.463 1.00 0.00 C ATOM 838 CG LEU A 56 -2.252 -2.851 3.424 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.488 -4.364 3.408 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.591 -2.186 3.722 1.00 0.00 C ATOM 0 H LEU A 56 0.427 -4.132 5.752 1.00 0.00 H new ATOM 0 HA LEU A 56 0.337 -2.917 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.479 -2.818 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.243 -1.321 4.555 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.854 -2.554 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.236 -4.608 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.555 -4.875 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.841 -4.688 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.328 -2.504 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.927 -2.475 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.477 -1.103 3.677 1.00 0.00 H new ATOM 852 N ALA A 57 1.620 -0.855 3.745 1.00 0.00 N ATOM 853 CA ALA A 57 2.543 0.239 4.037 1.00 0.00 C ATOM 854 C ALA A 57 2.131 1.545 3.346 1.00 0.00 C ATOM 855 O ALA A 57 1.384 1.520 2.366 1.00 0.00 O ATOM 856 CB ALA A 57 3.948 -0.172 3.605 1.00 0.00 C ATOM 0 H ALA A 57 1.296 -0.859 2.778 1.00 0.00 H new ATOM 0 HA ALA A 57 2.520 0.431 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.646 0.638 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.250 -1.065 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.953 -0.383 2.536 1.00 0.00 H new ATOM 862 N LYS A 58 2.658 2.684 3.804 1.00 0.00 N ATOM 863 CA LYS A 58 2.450 4.009 3.203 1.00 0.00 C ATOM 864 C LYS A 58 3.755 4.798 3.097 1.00 0.00 C ATOM 865 O LYS A 58 4.696 4.561 3.861 1.00 0.00 O ATOM 866 CB LYS A 58 1.362 4.773 3.979 1.00 0.00 C ATOM 867 CG LYS A 58 1.753 5.139 5.419 1.00 0.00 C ATOM 868 CD LYS A 58 0.616 5.877 6.138 1.00 0.00 C ATOM 869 CE LYS A 58 1.043 6.217 7.573 1.00 0.00 C ATOM 870 NZ LYS A 58 -0.005 6.987 8.296 1.00 0.00 N ATOM 0 H LYS A 58 3.259 2.713 4.627 1.00 0.00 H new ATOM 0 HA LYS A 58 2.100 3.874 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.120 5.687 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.456 4.167 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.007 4.233 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.645 5.765 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.364 6.790 5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.280 5.257 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.257 5.296 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.967 6.795 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.322 7.197 9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.191 7.878 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.879 6.426 8.341 1.00 0.00 H new ATOM 884 N VAL A 59 3.794 5.748 2.162 1.00 0.00 N ATOM 885 CA VAL A 59 4.926 6.651 1.897 1.00 0.00 C ATOM 886 C VAL A 59 4.393 8.051 1.569 1.00 0.00 C ATOM 887 O VAL A 59 3.520 8.202 0.716 1.00 0.00 O ATOM 888 CB VAL A 59 5.788 6.138 0.725 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.953 7.087 0.413 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.391 4.751 0.993 1.00 0.00 C ATOM 0 H VAL A 59 3.005 5.921 1.539 1.00 0.00 H new ATOM 0 HA VAL A 59 5.552 6.688 2.788 1.00 0.00 H new ATOM 0 HB VAL A 59 5.102 6.083 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.534 6.688 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.561 8.068 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.592 7.180 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.987 4.441 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.025 4.795 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.589 4.031 1.156 1.00 0.00 H new ATOM 900 N ASP A 60 4.938 9.076 2.228 1.00 0.00 N ATOM 901 CA ASP A 60 4.475 10.460 2.101 1.00 0.00 C ATOM 902 C ASP A 60 5.366 11.244 1.118 1.00 0.00 C ATOM 903 O ASP A 60 6.441 11.708 1.494 1.00 0.00 O ATOM 904 CB ASP A 60 4.442 11.132 3.487 1.00 0.00 C ATOM 905 CG ASP A 60 3.527 10.388 4.473 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.314 10.231 4.196 1.00 0.00 O ATOM 907 OD2 ASP A 60 4.019 9.970 5.546 1.00 0.00 O ATOM 0 H ASP A 60 5.722 8.967 2.872 1.00 0.00 H new ATOM 0 HA ASP A 60 3.463 10.460 1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.453 11.173 3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.099 12.161 3.382 1.00 0.00 H new ATOM 912 N CYS A 61 4.964 11.390 -0.147 1.00 0.00 N ATOM 913 CA CYS A 61 5.756 12.017 -1.212 1.00 0.00 C ATOM 914 C CYS A 61 6.126 13.492 -0.984 1.00 0.00 C ATOM 915 O CYS A 61 7.113 13.959 -1.548 1.00 0.00 O ATOM 916 CB CYS A 61 4.994 11.871 -2.536 1.00 0.00 C ATOM 917 SG CYS A 61 4.575 10.169 -2.994 1.00 0.00 S ATOM 0 H CYS A 61 4.052 11.066 -0.469 1.00 0.00 H new ATOM 0 HA CYS A 61 6.711 11.492 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.074 12.452 -2.474 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.594 12.309 -3.334 1.00 0.00 H new ATOM 922 N THR A 62 5.393 14.218 -0.130 1.00 0.00 N ATOM 923 CA THR A 62 5.759 15.586 0.315 1.00 0.00 C ATOM 924 C THR A 62 7.003 15.603 1.218 1.00 0.00 C ATOM 925 O THR A 62 7.674 16.633 1.335 1.00 0.00 O ATOM 926 CB THR A 62 4.605 16.250 1.078 1.00 0.00 C ATOM 927 OG1 THR A 62 4.200 15.437 2.160 1.00 0.00 O ATOM 928 CG2 THR A 62 3.381 16.455 0.190 1.00 0.00 C ATOM 0 H THR A 62 4.522 13.878 0.279 1.00 0.00 H new ATOM 0 HA THR A 62 5.979 16.141 -0.597 1.00 0.00 H new ATOM 0 HB THR A 62 4.977 17.215 1.424 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.465 15.873 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.587 16.928 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.646 17.094 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.035 15.490 -0.181 1.00 0.00 H new ATOM 936 N ALA A 63 7.339 14.455 1.818 1.00 0.00 N ATOM 937 CA ALA A 63 8.486 14.248 2.712 1.00 0.00 C ATOM 938 C ALA A 63 9.490 13.176 2.231 1.00 0.00 C ATOM 939 O ALA A 63 10.590 13.065 2.780 1.00 0.00 O ATOM 940 CB ALA A 63 7.934 13.928 4.108 1.00 0.00 C ATOM 0 H ALA A 63 6.793 13.604 1.687 1.00 0.00 H new ATOM 0 HA ALA A 63 9.077 15.164 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.762 13.768 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.325 14.761 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.323 13.027 4.060 1.00 0.00 H new ATOM 946 N ASN A 64 9.145 12.405 1.191 1.00 0.00 N ATOM 947 CA ASN A 64 9.910 11.265 0.660 1.00 0.00 C ATOM 948 C ASN A 64 9.879 11.215 -0.877 1.00 0.00 C ATOM 949 O ASN A 64 9.611 10.204 -1.533 1.00 0.00 O ATOM 950 CB ASN A 64 9.373 9.960 1.219 1.00 0.00 C ATOM 951 CG ASN A 64 9.324 9.884 2.734 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.266 9.474 3.394 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.220 10.270 3.328 1.00 0.00 N ATOM 0 H ASN A 64 8.283 12.566 0.670 1.00 0.00 H new ATOM 0 HA ASN A 64 10.945 11.401 0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.367 9.802 0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.991 9.142 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.146 10.228 4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.435 10.612 2.773 1.00 0.00 H new ATOM 960 N THR A 65 10.113 12.375 -1.439 1.00 0.00 N ATOM 961 CA THR A 65 9.936 12.715 -2.863 1.00 0.00 C ATOM 962 C THR A 65 10.843 11.882 -3.764 1.00 0.00 C ATOM 963 O THR A 65 10.403 11.437 -4.821 1.00 0.00 O ATOM 964 CB THR A 65 10.187 14.216 -3.099 1.00 0.00 C ATOM 965 OG1 THR A 65 9.578 14.997 -2.089 1.00 0.00 O ATOM 966 CG2 THR A 65 9.634 14.691 -4.444 1.00 0.00 C ATOM 0 H THR A 65 10.454 13.168 -0.896 1.00 0.00 H new ATOM 0 HA THR A 65 8.904 12.482 -3.124 1.00 0.00 H new ATOM 0 HB THR A 65 11.269 14.343 -3.085 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.641 14.727 -1.987 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.835 15.755 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.114 14.137 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.558 14.519 -4.476 1.00 0.00 H new ATOM 974 N ASN A 66 12.067 11.601 -3.317 1.00 0.00 N ATOM 975 CA ASN A 66 13.017 10.747 -4.038 1.00 0.00 C ATOM 976 C ASN A 66 12.555 9.282 -4.109 1.00 0.00 C ATOM 977 O ASN A 66 12.661 8.661 -5.168 1.00 0.00 O ATOM 978 CB ASN A 66 14.390 10.869 -3.348 1.00 0.00 C ATOM 979 CG ASN A 66 15.026 12.242 -3.504 1.00 0.00 C ATOM 980 OD1 ASN A 66 15.023 12.849 -4.566 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.591 12.781 -2.449 1.00 0.00 N ATOM 0 H ASN A 66 12.433 11.962 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 66 13.083 11.084 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.276 10.649 -2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.063 10.116 -3.759 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.025 13.702 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.596 12.279 -1.561 1.00 0.00 H new ATOM 988 N THR A 67 11.963 8.753 -3.028 1.00 0.00 N ATOM 989 CA THR A 67 11.330 7.421 -3.043 1.00 0.00 C ATOM 990 C THR A 67 10.122 7.408 -3.979 1.00 0.00 C ATOM 991 O THR A 67 9.986 6.481 -4.772 1.00 0.00 O ATOM 992 CB THR A 67 10.946 6.966 -1.623 1.00 0.00 C ATOM 993 OG1 THR A 67 12.124 6.694 -0.899 1.00 0.00 O ATOM 994 CG2 THR A 67 10.139 5.665 -1.582 1.00 0.00 C ATOM 0 H THR A 67 11.908 9.228 -2.127 1.00 0.00 H new ATOM 0 HA THR A 67 12.059 6.706 -3.425 1.00 0.00 H new ATOM 0 HB THR A 67 10.342 7.774 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.555 7.537 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.908 5.413 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.211 5.794 -2.140 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.722 4.861 -2.030 1.00 0.00 H new ATOM 1002 N CYS A 68 9.286 8.453 -3.986 1.00 0.00 N ATOM 1003 CA CYS A 68 8.157 8.534 -4.922 1.00 0.00 C ATOM 1004 C CYS A 68 8.571 8.728 -6.400 1.00 0.00 C ATOM 1005 O CYS A 68 7.928 8.188 -7.303 1.00 0.00 O ATOM 1006 CB CYS A 68 7.206 9.627 -4.431 1.00 0.00 C ATOM 1007 SG CYS A 68 6.348 9.173 -2.894 1.00 0.00 S ATOM 0 H CYS A 68 9.369 9.252 -3.357 1.00 0.00 H new ATOM 0 HA CYS A 68 7.648 7.570 -4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.768 10.547 -4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.468 9.836 -5.206 1.00 0.00 H new ATOM 1012 N ASN A 69 9.667 9.444 -6.670 1.00 0.00 N ATOM 1013 CA ASN A 69 10.218 9.615 -8.029 1.00 0.00 C ATOM 1014 C ASN A 69 10.873 8.339 -8.584 1.00 0.00 C ATOM 1015 O ASN A 69 10.931 8.163 -9.802 1.00 0.00 O ATOM 1016 CB ASN A 69 11.183 10.818 -8.061 1.00 0.00 C ATOM 1017 CG ASN A 69 10.435 12.124 -8.282 1.00 0.00 C ATOM 1018 OD1 ASN A 69 10.635 12.837 -9.256 1.00 0.00 O ATOM 1019 ND2 ASN A 69 9.522 12.454 -7.405 1.00 0.00 N ATOM 0 H ASN A 69 10.205 9.927 -5.950 1.00 0.00 H new ATOM 0 HA ASN A 69 9.380 9.820 -8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.736 10.868 -7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.916 10.678 -8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.976 13.306 -7.533 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.356 11.859 -6.593 1.00 0.00 H new ATOM 1026 N LYS A 70 11.303 7.414 -7.712 1.00 0.00 N ATOM 1027 CA LYS A 70 11.740 6.059 -8.097 1.00 0.00 C ATOM 1028 C LYS A 70 10.629 5.254 -8.798 1.00 0.00 C ATOM 1029 O LYS A 70 10.932 4.340 -9.571 1.00 0.00 O ATOM 1030 CB LYS A 70 12.252 5.329 -6.838 1.00 0.00 C ATOM 1031 CG LYS A 70 12.991 4.018 -7.139 1.00 0.00 C ATOM 1032 CD LYS A 70 13.638 3.441 -5.868 1.00 0.00 C ATOM 1033 CE LYS A 70 14.279 2.065 -6.106 1.00 0.00 C ATOM 1034 NZ LYS A 70 15.485 2.138 -6.971 1.00 0.00 N ATOM 0 H LYS A 70 11.358 7.586 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 70 12.544 6.149 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.920 5.994 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.407 5.117 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.294 3.292 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.758 4.194 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.397 4.134 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.883 3.356 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.551 1.624 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.546 1.402 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.878 1.184 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.225 2.533 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.198 2.748 -6.522 1.00 0.00 H new ATOM 1048 N TYR A 71 9.358 5.621 -8.566 1.00 0.00 N ATOM 1049 CA TYR A 71 8.180 4.838 -8.990 1.00 0.00 C ATOM 1050 C TYR A 71 7.187 5.581 -9.887 1.00 0.00 C ATOM 1051 O TYR A 71 6.420 4.934 -10.606 1.00 0.00 O ATOM 1052 CB TYR A 71 7.469 4.310 -7.740 1.00 0.00 C ATOM 1053 CG TYR A 71 8.346 3.404 -6.905 1.00 0.00 C ATOM 1054 CD1 TYR A 71 8.886 2.224 -7.454 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.687 3.789 -5.601 1.00 0.00 C ATOM 1056 CE1 TYR A 71 9.785 1.446 -6.697 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.564 3.008 -4.827 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.117 1.829 -5.379 1.00 0.00 C ATOM 1059 OH TYR A 71 11.008 1.089 -4.664 1.00 0.00 O ATOM 0 H TYR A 71 9.114 6.480 -8.073 1.00 0.00 H new ATOM 0 HA TYR A 71 8.560 4.029 -9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.141 5.152 -7.131 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.573 3.766 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.612 1.916 -8.452 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.272 4.695 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.221 0.556 -7.126 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.813 3.306 -3.819 1.00 0.00 H new ATOM 0 HH TYR A 71 10.698 1.008 -3.738 1.00 0.00 H new ATOM 1069 N GLY A 72 7.205 6.913 -9.879 1.00 0.00 N ATOM 1070 CA GLY A 72 6.442 7.738 -10.825 1.00 0.00 C ATOM 1071 C GLY A 72 5.093 8.198 -10.263 1.00 0.00 C ATOM 1072 O GLY A 72 4.107 8.272 -10.995 1.00 0.00 O ATOM 0 H GLY A 72 7.752 7.458 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.034 8.612 -11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.274 7.171 -11.740 1.00 0.00 H new ATOM 1076 N VAL A 73 5.041 8.480 -8.956 1.00 0.00 N ATOM 1077 CA VAL A 73 3.864 8.978 -8.206 1.00 0.00 C ATOM 1078 C VAL A 73 3.561 10.460 -8.538 1.00 0.00 C ATOM 1079 O VAL A 73 3.434 11.318 -7.664 1.00 0.00 O ATOM 1080 CB VAL A 73 4.029 8.751 -6.686 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.677 8.848 -5.961 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.633 7.382 -6.329 1.00 0.00 C ATOM 0 H VAL A 73 5.857 8.364 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 73 3.000 8.397 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 73 4.714 9.535 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.824 8.684 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.249 9.838 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.998 8.091 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.719 7.294 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.987 6.590 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.621 7.291 -6.780 1.00 0.00 H new ATOM 1092 N SER A 74 3.473 10.790 -9.827 1.00 0.00 N ATOM 1093 CA SER A 74 3.057 12.108 -10.352 1.00 0.00 C ATOM 1094 C SER A 74 1.563 12.442 -10.147 1.00 0.00 C ATOM 1095 O SER A 74 1.130 13.548 -10.485 1.00 0.00 O ATOM 1096 CB SER A 74 3.405 12.193 -11.848 1.00 0.00 C ATOM 1097 OG SER A 74 2.762 11.164 -12.585 1.00 0.00 O ATOM 0 H SER A 74 3.696 10.127 -10.569 1.00 0.00 H new ATOM 0 HA SER A 74 3.607 12.849 -9.772 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.105 13.165 -12.239 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.485 12.116 -11.978 1.00 0.00 H new ATOM 0 HG SER A 74 2.999 11.243 -13.533 1.00 0.00 H new ATOM 1103 N GLY A 75 0.761 11.518 -9.591 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.698 11.636 -9.460 1.00 0.00 C ATOM 1105 C GLY A 75 -1.276 10.868 -8.268 1.00 0.00 C ATOM 1106 O GLY A 75 -2.216 10.085 -8.425 1.00 0.00 O ATOM 0 H GLY A 75 1.122 10.644 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.961 12.689 -9.363 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.166 11.274 -10.375 1.00 0.00 H new ATOM 1110 N TYR A 76 -0.687 11.060 -7.076 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.170 10.504 -5.801 1.00 0.00 C ATOM 1112 C TYR A 76 -2.654 10.822 -5.483 1.00 0.00 C ATOM 1113 O TYR A 76 -3.166 11.857 -5.930 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.264 10.951 -4.640 1.00 0.00 C ATOM 1115 CG TYR A 76 0.412 12.307 -4.765 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.354 13.491 -4.771 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.815 12.384 -4.839 1.00 0.00 C ATOM 1118 CE1 TYR A 76 0.287 14.738 -4.894 1.00 0.00 C ATOM 1119 CE2 TYR A 76 2.462 13.626 -4.967 1.00 0.00 C ATOM 1120 CZ TYR A 76 1.692 14.812 -4.998 1.00 0.00 C ATOM 1121 OH TYR A 76 2.293 16.026 -5.118 1.00 0.00 O ATOM 0 H TYR A 76 0.159 11.620 -6.970 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.120 9.421 -5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.861 10.955 -3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.513 10.198 -4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.429 13.441 -4.681 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.402 11.478 -4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.301 15.644 -4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.538 13.674 -5.041 1.00 0.00 H new ATOM 0 HH TYR A 76 3.264 15.906 -5.178 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.343 10.002 -4.658 1.00 0.00 N ATOM 1132 CA PRO A 77 -2.880 8.729 -4.077 1.00 0.00 C ATOM 1133 C PRO A 77 -2.712 7.614 -5.118 1.00 0.00 C ATOM 1134 O PRO A 77 -3.539 7.442 -6.017 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.938 8.336 -3.033 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.206 9.028 -3.533 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.692 10.295 -4.201 1.00 0.00 C ATOM 0 HA PRO A 77 -1.890 8.860 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.066 7.255 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.662 8.676 -2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.753 8.400 -4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.886 9.257 -2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.331 10.580 -5.036 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.692 11.130 -3.501 1.00 0.00 H new ATOM 1145 N THR A 78 -1.652 6.822 -4.963 1.00 0.00 N ATOM 1146 CA THR A 78 -1.261 5.736 -5.880 1.00 0.00 C ATOM 1147 C THR A 78 -0.894 4.488 -5.081 1.00 0.00 C ATOM 1148 O THR A 78 0.109 4.471 -4.369 1.00 0.00 O ATOM 1149 CB THR A 78 -0.070 6.148 -6.766 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.308 7.380 -7.415 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.232 5.129 -7.865 1.00 0.00 C ATOM 0 H THR A 78 -1.016 6.916 -4.171 1.00 0.00 H new ATOM 0 HA THR A 78 -2.111 5.524 -6.528 1.00 0.00 H new ATOM 0 HB THR A 78 0.775 6.218 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.467 7.614 -7.968 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.080 5.473 -8.457 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.471 4.166 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.640 5.020 -8.510 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.701 3.431 -5.202 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.424 2.135 -4.572 1.00 0.00 C ATOM 1161 C LEU A 79 -0.728 1.179 -5.561 1.00 0.00 C ATOM 1162 O LEU A 79 -1.072 1.130 -6.742 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.716 1.506 -4.012 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.300 2.180 -2.753 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.175 3.392 -3.086 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -4.182 1.178 -2.003 1.00 0.00 C ATOM 0 H LEU A 79 -2.567 3.449 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.745 2.306 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.474 1.522 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.518 0.459 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.452 2.511 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.560 3.827 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.580 4.135 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.009 3.077 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.596 1.652 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.995 0.852 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.584 0.315 -1.710 1.00 0.00 H new ATOM 1178 N LYS A 80 0.230 0.386 -5.068 1.00 0.00 N ATOM 1179 CA LYS A 80 1.009 -0.576 -5.865 1.00 0.00 C ATOM 1180 C LYS A 80 1.336 -1.845 -5.072 1.00 0.00 C ATOM 1181 O LYS A 80 1.562 -1.800 -3.861 1.00 0.00 O ATOM 1182 CB LYS A 80 2.329 0.071 -6.335 1.00 0.00 C ATOM 1183 CG LYS A 80 2.150 1.151 -7.413 1.00 0.00 C ATOM 1184 CD LYS A 80 3.488 1.518 -8.073 1.00 0.00 C ATOM 1185 CE LYS A 80 3.237 2.378 -9.320 1.00 0.00 C ATOM 1186 NZ LYS A 80 4.478 2.554 -10.121 1.00 0.00 N ATOM 0 H LYS A 80 0.493 0.393 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 80 0.396 -0.853 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.831 0.512 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.985 -0.708 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.454 0.796 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.707 2.042 -6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.115 2.061 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.028 0.612 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.468 1.911 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.856 3.354 -9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.229 2.847 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.075 3.283 -9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.999 1.655 -10.156 1.00 0.00 H new ATOM 1200 N ILE A 81 1.413 -2.969 -5.783 1.00 0.00 N ATOM 1201 CA ILE A 81 1.767 -4.290 -5.268 1.00 0.00 C ATOM 1202 C ILE A 81 3.191 -4.641 -5.728 1.00 0.00 C ATOM 1203 O ILE A 81 3.539 -4.479 -6.901 1.00 0.00 O ATOM 1204 CB ILE A 81 0.730 -5.346 -5.734 1.00 0.00 C ATOM 1205 CG1 ILE A 81 -0.628 -5.205 -5.005 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.237 -6.784 -5.497 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -1.554 -4.104 -5.542 1.00 0.00 C ATOM 0 H ILE A 81 1.220 -2.983 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 81 1.749 -4.284 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 81 0.592 -5.161 -6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.153 -6.158 -5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.436 -5.012 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.484 -7.496 -5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.161 -6.941 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.425 -6.933 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.477 -4.090 -4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.057 -3.137 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.786 -4.302 -6.589 1.00 0.00 H new ATOM 1219 N PHE A 82 3.991 -5.177 -4.803 1.00 0.00 N ATOM 1220 CA PHE A 82 5.375 -5.610 -5.011 1.00 0.00 C ATOM 1221 C PHE A 82 5.555 -7.068 -4.567 1.00 0.00 C ATOM 1222 O PHE A 82 5.689 -7.357 -3.377 1.00 0.00 O ATOM 1223 CB PHE A 82 6.349 -4.698 -4.253 1.00 0.00 C ATOM 1224 CG PHE A 82 6.446 -3.270 -4.749 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.427 -2.342 -4.458 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.579 -2.860 -5.477 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.536 -1.016 -4.912 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.678 -1.536 -5.942 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.656 -0.615 -5.659 1.00 0.00 C ATOM 0 H PHE A 82 3.677 -5.328 -3.844 1.00 0.00 H new ATOM 0 HA PHE A 82 5.597 -5.541 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.054 -4.678 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.342 -5.145 -4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.563 -2.649 -3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.374 -3.563 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.756 -0.304 -4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.539 -1.228 -6.516 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.731 0.402 -6.016 1.00 0.00 H new ATOM 1239 N ARG A 83 5.548 -8.003 -5.524 1.00 0.00 N ATOM 1240 CA ARG A 83 5.798 -9.438 -5.282 1.00 0.00 C ATOM 1241 C ARG A 83 7.271 -9.669 -4.937 1.00 0.00 C ATOM 1242 O ARG A 83 8.156 -9.250 -5.683 1.00 0.00 O ATOM 1243 CB ARG A 83 5.363 -10.253 -6.510 1.00 0.00 C ATOM 1244 CG ARG A 83 5.401 -11.765 -6.250 1.00 0.00 C ATOM 1245 CD ARG A 83 4.919 -12.541 -7.483 1.00 0.00 C ATOM 1246 NE ARG A 83 4.942 -14.001 -7.242 1.00 0.00 N ATOM 1247 CZ ARG A 83 3.984 -14.734 -6.691 1.00 0.00 C ATOM 1248 NH1 ARG A 83 2.862 -14.229 -6.257 1.00 0.00 N ATOM 1249 NH2 ARG A 83 4.141 -16.021 -6.562 1.00 0.00 N ATOM 0 H ARG A 83 5.366 -7.786 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 83 5.208 -9.774 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.353 -9.961 -6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.015 -10.015 -7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.416 -12.070 -5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.772 -12.007 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.907 -12.228 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.553 -12.301 -8.337 1.00 0.00 H new ATOM 0 HE ARG A 83 5.785 -14.497 -7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.690 -13.226 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.156 -14.837 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.001 -16.465 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.404 -16.585 -6.138 1.00 0.00 H new ATOM 1263 N ASP A 84 7.526 -10.319 -3.803 1.00 0.00 N ATOM 1264 CA ASP A 84 8.870 -10.574 -3.244 1.00 0.00 C ATOM 1265 C ASP A 84 9.784 -9.319 -3.168 1.00 0.00 C ATOM 1266 O ASP A 84 11.012 -9.422 -3.211 1.00 0.00 O ATOM 1267 CB ASP A 84 9.493 -11.764 -3.999 1.00 0.00 C ATOM 1268 CG ASP A 84 10.701 -12.381 -3.281 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.599 -12.705 -2.074 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.747 -12.610 -3.938 1.00 0.00 O ATOM 0 H ASP A 84 6.781 -10.700 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 84 8.764 -10.840 -2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.733 -12.532 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.800 -11.434 -4.991 1.00 0.00 H new ATOM 1275 N GLY A 85 9.189 -8.117 -3.082 1.00 0.00 N ATOM 1276 CA GLY A 85 9.901 -6.834 -3.000 1.00 0.00 C ATOM 1277 C GLY A 85 10.209 -6.155 -4.351 1.00 0.00 C ATOM 1278 O GLY A 85 11.067 -5.271 -4.404 1.00 0.00 O ATOM 0 H GLY A 85 8.175 -8.010 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.308 -6.148 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.841 -6.994 -2.471 1.00 0.00 H new ATOM 1282 N GLU A 86 9.524 -6.535 -5.434 1.00 0.00 N ATOM 1283 CA GLU A 86 9.695 -6.003 -6.799 1.00 0.00 C ATOM 1284 C GLU A 86 8.332 -5.752 -7.452 1.00 0.00 C ATOM 1285 O GLU A 86 7.395 -6.537 -7.290 1.00 0.00 O ATOM 1286 CB GLU A 86 10.496 -6.995 -7.660 1.00 0.00 C ATOM 1287 CG GLU A 86 12.002 -7.051 -7.360 1.00 0.00 C ATOM 1288 CD GLU A 86 12.811 -5.910 -8.019 1.00 0.00 C ATOM 1289 OE1 GLU A 86 12.309 -4.768 -8.161 1.00 0.00 O ATOM 1290 OE2 GLU A 86 13.979 -6.156 -8.411 1.00 0.00 O ATOM 0 H GLU A 86 8.802 -7.254 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 86 10.238 -5.060 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.077 -7.992 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.360 -6.733 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.150 -7.013 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.396 -8.008 -7.702 1.00 0.00 H new ATOM 1297 N GLU A 87 8.198 -4.642 -8.180 1.00 0.00 N ATOM 1298 CA GLU A 87 6.923 -4.161 -8.749 1.00 0.00 C ATOM 1299 C GLU A 87 6.207 -5.238 -9.585 1.00 0.00 C ATOM 1300 O GLU A 87 6.791 -5.811 -10.515 1.00 0.00 O ATOM 1301 CB GLU A 87 7.174 -2.890 -9.589 1.00 0.00 C ATOM 1302 CG GLU A 87 5.866 -2.249 -10.082 1.00 0.00 C ATOM 1303 CD GLU A 87 6.146 -1.005 -10.943 1.00 0.00 C ATOM 1304 OE1 GLU A 87 6.678 -1.149 -12.073 1.00 0.00 O ATOM 1305 OE2 GLU A 87 5.807 0.127 -10.516 1.00 0.00 O ATOM 0 H GLU A 87 8.987 -4.034 -8.399 1.00 0.00 H new ATOM 0 HA GLU A 87 6.259 -3.922 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.728 -2.166 -8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.799 -3.141 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.298 -2.976 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.249 -1.972 -9.227 1.00 0.00 H new ATOM 1312 N ALA A 88 4.933 -5.498 -9.271 1.00 0.00 N ATOM 1313 CA ALA A 88 4.164 -6.613 -9.827 1.00 0.00 C ATOM 1314 C ALA A 88 2.720 -6.252 -10.234 1.00 0.00 C ATOM 1315 O ALA A 88 2.104 -6.993 -11.003 1.00 0.00 O ATOM 1316 CB ALA A 88 4.186 -7.761 -8.811 1.00 0.00 C ATOM 0 H ALA A 88 4.400 -4.929 -8.613 1.00 0.00 H new ATOM 0 HA ALA A 88 4.640 -6.909 -10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.619 -8.605 -9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.216 -8.068 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.739 -7.427 -7.875 1.00 0.00 H new ATOM 1322 N GLY A 89 2.187 -5.106 -9.792 1.00 0.00 N ATOM 1323 CA GLY A 89 0.903 -4.595 -10.277 1.00 0.00 C ATOM 1324 C GLY A 89 0.456 -3.299 -9.606 1.00 0.00 C ATOM 1325 O GLY A 89 0.228 -3.261 -8.398 1.00 0.00 O ATOM 0 H GLY A 89 2.632 -4.512 -9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.972 -4.430 -11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.138 -5.356 -10.120 1.00 0.00 H new ATOM 1329 N ALA A 90 0.314 -2.227 -10.387 1.00 0.00 N ATOM 1330 CA ALA A 90 -0.339 -0.998 -9.931 1.00 0.00 C ATOM 1331 C ALA A 90 -1.849 -1.245 -9.728 1.00 0.00 C ATOM 1332 O ALA A 90 -2.523 -1.791 -10.615 1.00 0.00 O ATOM 1333 CB ALA A 90 -0.058 0.127 -10.928 1.00 0.00 C ATOM 0 H ALA A 90 0.647 -2.186 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 90 0.065 -0.692 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.543 1.042 -10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.017 0.291 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.447 -0.150 -11.908 1.00 0.00 H new ATOM 1339 N TYR A 91 -2.374 -0.865 -8.563 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.782 -1.045 -8.186 1.00 0.00 C ATOM 1341 C TYR A 91 -4.729 -0.170 -9.034 1.00 0.00 C ATOM 1342 O TYR A 91 -4.379 0.944 -9.433 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.908 -0.700 -6.699 1.00 0.00 C ATOM 1344 CG TYR A 91 -5.271 -0.917 -6.073 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.762 -2.219 -5.869 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -6.025 0.193 -5.642 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -7.007 -2.414 -5.240 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -7.257 0.001 -4.989 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.753 -1.306 -4.787 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.947 -1.501 -4.172 1.00 0.00 O ATOM 0 H TYR A 91 -1.821 -0.412 -7.835 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.079 -2.077 -8.372 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.179 -1.294 -6.147 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.633 0.346 -6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.183 -3.071 -6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.656 1.194 -5.813 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.391 -3.414 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.823 0.853 -4.642 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.469 -0.672 -4.202 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.953 -0.660 -9.270 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.981 0.015 -10.087 1.00 0.00 C ATOM 1362 C ASP A 92 -8.418 -0.162 -9.531 1.00 0.00 C ATOM 1363 O ASP A 92 -9.408 0.113 -10.219 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.846 -0.500 -11.533 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.631 0.334 -12.560 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.480 1.581 -12.582 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -8.360 -0.255 -13.395 1.00 0.00 O ATOM 0 H ASP A 92 -6.267 -1.554 -8.893 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.811 1.091 -10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.792 -0.505 -11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.192 -1.533 -11.576 1.00 0.00 H new ATOM 1372 N GLY A 93 -8.550 -0.618 -8.278 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.831 -0.828 -7.591 1.00 0.00 C ATOM 1374 C GLY A 93 -10.282 0.380 -6.748 1.00 0.00 C ATOM 1375 O GLY A 93 -9.644 1.439 -6.781 1.00 0.00 O ATOM 0 H GLY A 93 -7.746 -0.858 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.599 -1.051 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.748 -1.702 -6.944 1.00 0.00 H new ATOM 1379 N PRO A 94 -11.387 0.250 -5.984 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.847 1.274 -5.041 1.00 0.00 C ATOM 1381 C PRO A 94 -10.762 1.651 -4.015 1.00 0.00 C ATOM 1382 O PRO A 94 -10.150 0.771 -3.400 1.00 0.00 O ATOM 1383 CB PRO A 94 -13.075 0.675 -4.343 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.563 -0.404 -5.307 1.00 0.00 C ATOM 1385 CD PRO A 94 -12.269 -0.907 -5.948 1.00 0.00 C ATOM 0 HA PRO A 94 -12.086 2.199 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.815 0.254 -3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.842 1.430 -4.168 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.091 -1.202 -4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.250 0.000 -6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.831 -1.718 -5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.451 -1.295 -6.950 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.556 2.954 -3.781 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.644 3.488 -2.744 1.00 0.00 C ATOM 1395 C ARG A 95 -10.313 3.481 -1.358 1.00 0.00 C ATOM 1396 O ARG A 95 -10.439 4.513 -0.699 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.128 4.876 -3.171 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.130 4.788 -4.338 1.00 0.00 C ATOM 1399 CD ARG A 95 -7.685 6.202 -4.746 1.00 0.00 C ATOM 1400 NE ARG A 95 -6.560 6.198 -5.708 1.00 0.00 N ATOM 1401 CZ ARG A 95 -6.614 6.092 -7.024 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -7.714 5.805 -7.655 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -5.541 6.299 -7.729 1.00 0.00 N ATOM 0 H ARG A 95 -11.025 3.686 -4.314 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.774 2.838 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.971 5.502 -3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.649 5.362 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.264 4.194 -4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.591 4.282 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.531 6.730 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.392 6.756 -3.854 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.627 6.288 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.577 5.653 -7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.714 5.732 -8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.665 6.541 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.575 6.219 -8.745 1.00 0.00 H new ATOM 1417 N THR A 96 -10.791 2.309 -0.952 1.00 0.00 N ATOM 1418 CA THR A 96 -11.530 2.040 0.297 1.00 0.00 C ATOM 1419 C THR A 96 -11.162 0.662 0.851 1.00 0.00 C ATOM 1420 O THR A 96 -10.767 -0.220 0.087 1.00 0.00 O ATOM 1421 CB THR A 96 -13.058 2.078 0.081 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.468 1.139 -0.893 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.567 3.451 -0.362 1.00 0.00 C ATOM 0 H THR A 96 -10.671 1.465 -1.513 1.00 0.00 H new ATOM 0 HA THR A 96 -11.249 2.823 1.001 1.00 0.00 H new ATOM 0 HB THR A 96 -13.484 1.836 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.440 1.187 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.648 3.412 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.323 4.192 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.094 3.728 -1.304 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.317 0.449 2.164 1.00 0.00 N ATOM 1432 CA ALA A 97 -11.008 -0.812 2.842 1.00 0.00 C ATOM 1433 C ALA A 97 -11.606 -2.061 2.163 1.00 0.00 C ATOM 1434 O ALA A 97 -10.922 -3.066 1.972 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.495 -0.716 4.296 1.00 0.00 C ATOM 0 H ALA A 97 -11.669 1.167 2.797 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.927 -0.946 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.273 -1.648 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.987 0.109 4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.571 -0.541 4.309 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.878 -1.975 1.764 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.613 -3.058 1.098 1.00 0.00 C ATOM 1443 C ASP A 98 -13.036 -3.388 -0.286 1.00 0.00 C ATOM 1444 O ASP A 98 -13.015 -4.554 -0.679 1.00 0.00 O ATOM 1445 CB ASP A 98 -15.102 -2.692 0.967 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.803 -2.596 2.331 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.769 -3.589 3.102 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.378 -1.527 2.649 1.00 0.00 O ATOM 0 H ASP A 98 -13.439 -1.133 1.897 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.506 -3.946 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.195 -1.739 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.605 -3.440 0.355 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.522 -2.385 -1.009 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.791 -2.575 -2.260 1.00 0.00 C ATOM 1455 C GLY A 99 -10.520 -3.407 -2.062 1.00 0.00 C ATOM 1456 O GLY A 99 -10.315 -4.385 -2.782 1.00 0.00 O ATOM 0 H GLY A 99 -12.606 -1.406 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.437 -3.068 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.527 -1.603 -2.677 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.707 -3.074 -1.051 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.454 -3.786 -0.745 1.00 0.00 C ATOM 1462 C ILE A 100 -8.722 -5.254 -0.379 1.00 0.00 C ATOM 1463 O ILE A 100 -8.083 -6.166 -0.911 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.664 -3.106 0.395 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.579 -1.567 0.332 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -6.247 -3.691 0.439 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -7.017 -0.976 -0.968 1.00 0.00 C ATOM 0 H ILE A 100 -9.899 -2.298 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.849 -3.748 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.230 -3.319 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.578 -1.161 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.961 -1.223 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.682 -3.216 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.302 -4.764 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.748 -3.509 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.005 0.112 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.002 -1.341 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.645 -1.278 -1.806 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.691 -5.491 0.515 1.00 0.00 N ATOM 1480 CA VAL A 101 -10.111 -6.832 0.941 1.00 0.00 C ATOM 1481 C VAL A 101 -10.658 -7.639 -0.237 1.00 0.00 C ATOM 1482 O VAL A 101 -10.205 -8.757 -0.464 1.00 0.00 O ATOM 1483 CB VAL A 101 -11.141 -6.731 2.087 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.688 -8.103 2.496 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.495 -6.103 3.325 1.00 0.00 C ATOM 0 H VAL A 101 -10.214 -4.743 0.970 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.238 -7.365 1.317 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.960 -6.115 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.408 -7.981 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -12.178 -8.569 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.867 -8.736 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -11.231 -6.037 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.658 -6.720 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.135 -5.104 3.080 1.00 0.00 H new ATOM 1495 N SER A 102 -11.569 -7.067 -1.027 1.00 0.00 N ATOM 1496 CA SER A 102 -12.114 -7.714 -2.233 1.00 0.00 C ATOM 1497 C SER A 102 -11.010 -8.103 -3.234 1.00 0.00 C ATOM 1498 O SER A 102 -10.970 -9.249 -3.695 1.00 0.00 O ATOM 1499 CB SER A 102 -13.147 -6.795 -2.898 1.00 0.00 C ATOM 1500 OG SER A 102 -13.759 -7.433 -4.003 1.00 0.00 O ATOM 0 H SER A 102 -11.954 -6.139 -0.852 1.00 0.00 H new ATOM 0 HA SER A 102 -12.600 -8.638 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.908 -6.511 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.662 -5.876 -3.227 1.00 0.00 H new ATOM 0 HG SER A 102 -14.414 -6.828 -4.409 1.00 0.00 H new ATOM 1506 N HIS A 103 -10.057 -7.203 -3.503 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.897 -7.458 -4.366 1.00 0.00 C ATOM 1508 C HIS A 103 -8.033 -8.636 -3.880 1.00 0.00 C ATOM 1509 O HIS A 103 -7.539 -9.412 -4.701 1.00 0.00 O ATOM 1510 CB HIS A 103 -8.091 -6.155 -4.462 1.00 0.00 C ATOM 1511 CG HIS A 103 -6.707 -6.300 -5.036 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -6.356 -6.280 -6.367 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -5.558 -6.451 -4.308 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -5.020 -6.413 -6.443 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -4.487 -6.539 -5.211 1.00 0.00 N ATOM 0 H HIS A 103 -10.071 -6.258 -3.119 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.245 -7.760 -5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.648 -5.446 -5.074 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.010 -5.722 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.488 -6.495 -3.231 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.453 -6.418 -7.362 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.502 -6.672 -4.981 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.884 -8.814 -2.562 1.00 0.00 N ATOM 1524 CA LEU A 104 -7.207 -9.971 -1.968 1.00 0.00 C ATOM 1525 C LEU A 104 -8.044 -11.255 -2.082 1.00 0.00 C ATOM 1526 O LEU A 104 -7.544 -12.272 -2.568 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.844 -9.617 -0.509 1.00 0.00 C ATOM 1528 CG LEU A 104 -6.089 -10.679 0.323 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -7.013 -11.764 0.883 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.933 -11.324 -0.445 1.00 0.00 C ATOM 0 H LEU A 104 -8.234 -8.151 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.292 -10.188 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.238 -8.711 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.767 -9.374 0.017 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.669 -10.126 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.426 -12.481 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.761 -11.306 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.510 -12.279 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.441 -12.061 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.319 -11.815 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.215 -10.556 -0.734 1.00 0.00 H new ATOM 1542 N LYS A 105 -9.317 -11.247 -1.674 1.00 0.00 N ATOM 1543 CA LYS A 105 -10.174 -12.458 -1.654 1.00 0.00 C ATOM 1544 C LYS A 105 -10.301 -13.115 -3.039 1.00 0.00 C ATOM 1545 O LYS A 105 -10.293 -14.343 -3.148 1.00 0.00 O ATOM 1546 CB LYS A 105 -11.569 -12.108 -1.106 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.524 -11.768 0.390 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.895 -11.404 0.975 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.874 -12.589 0.963 1.00 0.00 C ATOM 1550 NZ LYS A 105 -15.181 -12.213 1.568 1.00 0.00 N ATOM 0 H LYS A 105 -9.791 -10.405 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.691 -13.182 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.975 -11.261 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.245 -12.948 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.119 -12.620 0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.839 -10.935 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.768 -11.053 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.322 -10.579 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.028 -12.926 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.443 -13.426 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.822 -13.032 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.034 -11.914 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.601 -11.430 1.028 1.00 0.00 H new ATOM 1564 N LYS A 106 -10.355 -12.294 -4.091 1.00 0.00 N ATOM 1565 CA LYS A 106 -10.458 -12.706 -5.513 1.00 0.00 C ATOM 1566 C LYS A 106 -9.226 -13.433 -6.075 1.00 0.00 C ATOM 1567 O LYS A 106 -9.343 -14.075 -7.120 1.00 0.00 O ATOM 1568 CB LYS A 106 -10.805 -11.478 -6.383 1.00 0.00 C ATOM 1569 CG LYS A 106 -12.252 -10.976 -6.198 1.00 0.00 C ATOM 1570 CD LYS A 106 -13.357 -11.936 -6.673 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.233 -12.285 -8.163 1.00 0.00 C ATOM 1572 NZ LYS A 106 -14.351 -13.162 -8.610 1.00 0.00 N ATOM 0 H LYS A 106 -10.328 -11.280 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.257 -13.447 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.116 -10.668 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.649 -11.731 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.411 -10.763 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.361 -10.033 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.316 -12.852 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.331 -11.483 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.228 -11.369 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.282 -12.785 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.239 -13.380 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.339 -14.046 -8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.257 -12.674 -8.460 1.00 0.00 H new ATOM 1586 N GLN A 107 -8.077 -13.388 -5.389 1.00 0.00 N ATOM 1587 CA GLN A 107 -6.836 -14.070 -5.783 1.00 0.00 C ATOM 1588 C GLN A 107 -6.367 -15.112 -4.757 1.00 0.00 C ATOM 1589 O GLN A 107 -5.849 -16.164 -5.136 1.00 0.00 O ATOM 1590 CB GLN A 107 -5.739 -13.036 -6.059 1.00 0.00 C ATOM 1591 CG GLN A 107 -5.360 -12.108 -4.895 1.00 0.00 C ATOM 1592 CD GLN A 107 -4.347 -11.044 -5.311 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -3.179 -11.319 -5.567 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -4.751 -9.793 -5.384 1.00 0.00 N ATOM 0 H GLN A 107 -7.981 -12.862 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.050 -14.626 -6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.842 -13.568 -6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.057 -12.417 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.258 -11.622 -4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.947 -12.701 -4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.721 -9.557 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -4.094 -9.060 -5.652 1.00 0.00 H new ATOM 1603 N ALA A 108 -6.595 -14.862 -3.466 1.00 0.00 N ATOM 1604 CA ALA A 108 -6.277 -15.790 -2.372 1.00 0.00 C ATOM 1605 C ALA A 108 -7.094 -17.098 -2.417 1.00 0.00 C ATOM 1606 O ALA A 108 -6.575 -18.166 -2.079 1.00 0.00 O ATOM 1607 CB ALA A 108 -6.497 -15.062 -1.045 1.00 0.00 C ATOM 0 H ALA A 108 -7.015 -13.991 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.236 -16.094 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.266 -15.734 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.845 -14.190 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.537 -14.742 -0.973 1.00 0.00 H new