USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 653 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 4 SER OG : rot 65:sc= 0.935 USER MOD Set 1.2: A 46 LYS NZ :NH3+ -164:sc= 0.537 (180deg=0.0232) USER MOD Set 2.1: A 5 CYS SG : rot 104:sc= 1.88! USER MOD Set 2.2: A 10 CYS SG : rot 148:sc= -0.353! USER MOD Set 2.3: A 12 ASN : amide:sc= -0.287 K(o=-6.5,f=-7.8) USER MOD Set 2.4: A 54 CYS SG : rot -60:sc= -4.45! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -3.28! C(o=-6.5!,f=-22!) USER MOD Single : A 3 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 1.35 (180deg=1.03) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc=-0.00388 (180deg=-0.174) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00653 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -7.93! C(o=-10!,f=-7.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.132 USER MOD Single : A 33 CYS SG : rot 19:sc= -4.21! USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.43 (180deg=-1.39!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.346 K(o=0.35,f=-10!) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0387 USER MOD Single : A 49 LYS NZ :NH3+ -131:sc= 1.26 (180deg=-0.839) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 115:sc= -5.06! USER MOD Single : A 52 SER OG : rot 180:sc= 0.00662 USER MOD Single : A 55 SER OG : rot 87:sc= -3.47! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 62 SER OG : rot -142:sc= -3.61! USER MOD Single : A 64 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.103) USER MOD Single : A 67 SER OG : rot -129:sc= -3.41! USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0202) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.133 F(o=-0.79,f=-0.13) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -7.833 -3.986 -6.091 1.00 10.00 N ATOM 37 CA GLN A 3 -9.256 -3.748 -6.201 1.00 10.00 C ATOM 38 C GLN A 3 -9.505 -2.249 -6.188 1.00 10.00 C ATOM 39 O GLN A 3 -10.084 -1.703 -7.125 1.00 10.00 O ATOM 40 CB GLN A 3 -10.000 -4.440 -5.047 1.00 10.00 C ATOM 41 CG GLN A 3 -9.690 -5.927 -4.934 1.00 10.00 C ATOM 42 CD GLN A 3 -10.088 -6.540 -3.594 1.00 10.00 C ATOM 43 OE1 GLN A 3 -9.411 -7.438 -3.093 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.190 -6.081 -3.011 1.00 10.00 N ATOM 0 HA GLN A 3 -9.632 -4.164 -7.136 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.738 -3.949 -4.110 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -11.073 -4.310 -5.186 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.207 -6.458 -5.733 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -8.622 -6.079 -5.089 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -11.728 -5.336 -3.453 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.498 -6.474 -2.121 1.00 10.00 H new ATOM 53 N SER A 4 -9.049 -1.590 -5.125 1.00 10.00 N ATOM 54 CA SER A 4 -9.205 -0.153 -4.997 1.00 10.00 C ATOM 55 C SER A 4 -8.543 0.352 -3.708 1.00 10.00 C ATOM 56 O SER A 4 -8.162 -0.442 -2.835 1.00 10.00 O ATOM 57 CB SER A 4 -10.714 0.160 -4.983 1.00 10.00 C ATOM 58 OG SER A 4 -11.029 1.314 -4.223 1.00 10.00 O ATOM 0 H SER A 4 -8.569 -2.034 -4.342 1.00 10.00 H new ATOM 0 HA SER A 4 -8.721 0.351 -5.834 1.00 10.00 H new ATOM 0 HB2 SER A 4 -11.061 0.299 -6.007 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.254 -0.695 -4.577 1.00 10.00 H new ATOM 0 HG SER A 4 -10.624 2.102 -4.642 1.00 10.00 H new ATOM 64 N CYS A 5 -8.375 1.675 -3.624 1.00 10.00 N ATOM 65 CA CYS A 5 -7.704 2.310 -2.492 1.00 10.00 C ATOM 66 C CYS A 5 -8.697 2.420 -1.346 1.00 10.00 C ATOM 67 O CYS A 5 -9.877 2.071 -1.435 1.00 10.00 O ATOM 68 CB CYS A 5 -7.196 3.696 -2.905 1.00 10.00 C ATOM 69 SG CYS A 5 -6.248 3.699 -4.440 1.00 10.00 S ATOM 0 H CYS A 5 -8.699 2.330 -4.335 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.848 1.716 -2.174 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -8.048 4.367 -3.014 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.575 4.098 -2.105 1.00 10.00 H new ATOM 0 HG CYS A 5 -6.979 4.182 -5.400 1.00 10.00 H new ATOM 74 N SER A 6 -8.117 2.951 -0.261 1.00 10.00 N ATOM 75 CA SER A 6 -8.775 3.198 1.008 1.00 10.00 C ATOM 76 C SER A 6 -9.554 4.509 0.962 1.00 10.00 C ATOM 77 O SER A 6 -10.198 4.894 1.933 1.00 10.00 O ATOM 78 CB SER A 6 -7.719 3.234 2.121 1.00 10.00 C ATOM 79 OG SER A 6 -8.314 3.256 3.402 1.00 10.00 O ATOM 0 H SER A 6 -7.135 3.228 -0.254 1.00 10.00 H new ATOM 0 HA SER A 6 -9.485 2.396 1.210 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.070 2.363 2.036 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.089 4.114 1.997 1.00 10.00 H new ATOM 0 HG SER A 6 -7.614 3.277 4.088 1.00 10.00 H new ATOM 85 N ALA A 7 -9.431 5.205 -0.167 1.00 10.00 N ATOM 86 CA ALA A 7 -10.107 6.482 -0.398 1.00 10.00 C ATOM 87 C ALA A 7 -11.629 6.409 -0.262 1.00 10.00 C ATOM 88 O ALA A 7 -12.178 5.588 0.466 1.00 10.00 O ATOM 89 CB ALA A 7 -9.744 7.001 -1.778 1.00 10.00 C ATOM 0 H ALA A 7 -8.857 4.898 -0.952 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.762 7.162 0.380 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.246 7.952 -1.953 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.665 7.143 -1.841 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.059 6.280 -2.532 1.00 10.00 H new ATOM 95 N TYR A 8 -12.319 7.254 -1.012 1.00 10.00 N ATOM 96 CA TYR A 8 -13.762 7.320 -0.955 1.00 10.00 C ATOM 97 C TYR A 8 -14.328 6.787 -2.269 1.00 10.00 C ATOM 98 O TYR A 8 -14.882 7.532 -3.073 1.00 10.00 O ATOM 99 CB TYR A 8 -14.190 8.778 -0.712 1.00 10.00 C ATOM 100 CG TYR A 8 -15.577 8.976 -0.131 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.655 8.180 -0.514 1.00 10.00 C ATOM 102 CD2 TYR A 8 -15.810 9.994 0.784 1.00 10.00 C ATOM 103 CE1 TYR A 8 -17.918 8.397 0.003 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.066 10.211 1.307 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.118 9.413 0.914 1.00 10.00 C ATOM 106 OH TYR A 8 -19.373 9.628 1.433 1.00 10.00 O ATOM 0 H TYR A 8 -11.894 7.907 -1.671 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.147 6.711 -0.137 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.467 9.241 -0.040 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.134 9.315 -1.659 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.501 7.382 -1.225 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -14.991 10.628 1.092 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.745 7.774 -0.305 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -17.225 11.004 2.023 1.00 10.00 H new ATOM 0 HH TYR A 8 -19.343 10.380 2.061 1.00 10.00 H new ATOM 116 N GLY A 9 -14.157 5.485 -2.485 1.00 10.00 N ATOM 117 CA GLY A 9 -14.662 4.858 -3.687 1.00 10.00 C ATOM 118 C GLY A 9 -13.717 4.963 -4.873 1.00 10.00 C ATOM 119 O GLY A 9 -14.163 5.066 -6.015 1.00 10.00 O ATOM 0 H GLY A 9 -13.675 4.854 -1.844 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -14.859 3.806 -3.482 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.616 5.315 -3.952 1.00 10.00 H new ATOM 123 N CYS A 10 -12.410 4.915 -4.623 1.00 10.00 N ATOM 124 CA CYS A 10 -11.423 5.023 -5.693 1.00 10.00 C ATOM 125 C CYS A 10 -11.189 3.698 -6.406 1.00 10.00 C ATOM 126 O CYS A 10 -10.229 2.984 -6.117 1.00 10.00 O ATOM 127 CB CYS A 10 -10.099 5.581 -5.161 1.00 10.00 C ATOM 128 SG CYS A 10 -8.694 5.262 -6.245 1.00 10.00 S ATOM 0 H CYS A 10 -12.011 4.802 -3.691 1.00 10.00 H new ATOM 0 HA CYS A 10 -11.832 5.718 -6.426 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.199 6.657 -5.017 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.898 5.146 -4.182 1.00 10.00 H new ATOM 0 HG CYS A 10 -7.845 6.242 -6.155 1.00 10.00 H new ATOM 133 N LYS A 11 -12.116 3.318 -7.266 1.00 10.00 N ATOM 134 CA LYS A 11 -11.964 2.103 -8.050 1.00 10.00 C ATOM 135 C LYS A 11 -10.913 2.333 -9.135 1.00 10.00 C ATOM 136 O LYS A 11 -11.208 2.195 -10.318 1.00 10.00 O ATOM 137 CB LYS A 11 -13.287 1.740 -8.720 1.00 10.00 C ATOM 138 CG LYS A 11 -14.389 1.323 -7.755 1.00 10.00 C ATOM 139 CD LYS A 11 -14.721 -0.152 -7.914 1.00 10.00 C ATOM 140 CE LYS A 11 -16.032 -0.508 -7.236 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.295 -1.967 -7.277 1.00 10.00 N ATOM 0 H LYS A 11 -12.980 3.831 -7.440 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.657 1.292 -7.389 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.633 2.596 -9.299 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.112 0.927 -9.425 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.074 1.520 -6.730 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.282 1.922 -7.935 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -14.780 -0.400 -8.974 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -13.917 -0.754 -7.491 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -16.008 -0.172 -6.199 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -16.849 0.023 -7.724 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -17.199 -2.170 -6.804 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.343 -2.283 -8.267 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -15.528 -2.472 -6.789 1.00 10.00 H new ATOM 155 N ASN A 12 -9.681 2.669 -8.763 1.00 10.00 N ATOM 156 CA ASN A 12 -8.652 2.935 -9.768 1.00 10.00 C ATOM 157 C ASN A 12 -7.826 1.698 -10.082 1.00 10.00 C ATOM 158 O ASN A 12 -6.634 1.823 -10.357 1.00 10.00 O ATOM 159 CB ASN A 12 -7.715 4.053 -9.335 1.00 10.00 C ATOM 160 CG ASN A 12 -8.184 5.418 -9.807 1.00 10.00 C ATOM 161 OD1 ASN A 12 -7.398 6.208 -10.327 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.466 5.704 -9.640 1.00 10.00 N ATOM 0 H ASN A 12 -9.373 2.763 -7.795 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.187 3.241 -10.667 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.635 4.055 -8.248 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.717 3.859 -9.728 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.832 6.605 -9.947 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -10.088 5.023 -9.204 1.00 10.00 H new ATOM 169 N ARG A 13 -8.465 0.531 -9.965 1.00 10.00 N ATOM 170 CA ARG A 13 -7.855 -0.798 -10.232 1.00 10.00 C ATOM 171 C ARG A 13 -6.639 -0.686 -11.164 1.00 10.00 C ATOM 172 O ARG A 13 -6.724 -0.005 -12.194 1.00 10.00 O ATOM 173 CB ARG A 13 -8.919 -1.701 -10.874 1.00 10.00 C ATOM 174 CG ARG A 13 -8.826 -3.195 -10.540 1.00 10.00 C ATOM 175 CD ARG A 13 -7.458 -3.777 -10.863 1.00 10.00 C ATOM 176 NE ARG A 13 -7.481 -5.232 -10.985 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.766 -5.914 -11.880 1.00 10.00 C ATOM 178 NH1 ARG A 13 -6.004 -5.273 -12.761 1.00 10.00 N ATOM 179 NH2 ARG A 13 -6.829 -7.239 -11.899 1.00 10.00 N ATOM 0 H ARG A 13 -9.441 0.470 -9.677 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.508 -1.221 -9.289 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.902 -1.342 -10.570 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.858 -1.587 -11.956 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.040 -3.342 -9.481 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.590 -3.737 -11.098 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.094 -3.344 -11.795 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.753 -3.493 -10.082 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.079 -5.758 -10.348 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.964 -4.254 -12.755 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.459 -5.800 -13.443 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.422 -7.731 -11.231 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -6.284 -7.766 -12.582 1.00 10.00 H new ATOM 193 N TYR A 14 -5.529 -1.381 -10.816 1.00 10.00 N ATOM 194 CA TYR A 14 -4.290 -1.327 -11.606 1.00 10.00 C ATOM 195 C TYR A 14 -4.611 -1.382 -13.089 1.00 10.00 C ATOM 196 O TYR A 14 -5.115 -2.380 -13.607 1.00 10.00 O ATOM 197 CB TYR A 14 -3.324 -2.460 -11.230 1.00 10.00 C ATOM 198 CG TYR A 14 -1.880 -2.013 -11.056 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.286 -1.100 -11.925 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.113 -2.508 -10.009 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.025 -0.697 -11.748 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.200 -2.110 -9.829 1.00 10.00 C ATOM 203 CZ TYR A 14 0.764 -1.205 -10.699 1.00 10.00 C ATOM 204 OH TYR A 14 2.070 -0.791 -10.518 1.00 10.00 O ATOM 0 H TYR A 14 -5.473 -1.982 -9.994 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.795 -0.383 -11.379 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.665 -2.921 -10.303 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.365 -3.229 -12.002 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.858 -0.701 -12.749 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.550 -3.217 -9.322 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.469 0.014 -12.429 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.780 -2.508 -9.009 1.00 10.00 H new ATOM 0 HH TYR A 14 2.450 -1.241 -9.735 1.00 10.00 H new ATOM 214 N ASP A 15 -4.316 -0.275 -13.723 1.00 10.00 N ATOM 215 CA ASP A 15 -4.490 -0.086 -15.139 1.00 10.00 C ATOM 216 C ASP A 15 -3.289 0.695 -15.607 1.00 10.00 C ATOM 217 O ASP A 15 -3.151 1.874 -15.300 1.00 10.00 O ATOM 218 CB ASP A 15 -5.790 0.676 -15.419 1.00 10.00 C ATOM 219 CG ASP A 15 -6.017 0.922 -16.893 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.936 -0.042 -17.675 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.283 2.080 -17.262 1.00 10.00 O ATOM 0 H ASP A 15 -3.936 0.545 -13.251 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.565 -1.037 -15.667 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.631 0.112 -15.015 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.766 1.631 -14.895 1.00 10.00 H new ATOM 226 N LYS A 16 -2.398 0.016 -16.313 1.00 10.00 N ATOM 227 CA LYS A 16 -1.173 0.618 -16.824 1.00 10.00 C ATOM 228 C LYS A 16 -1.482 1.778 -17.760 1.00 10.00 C ATOM 229 O LYS A 16 -0.651 2.655 -17.998 1.00 10.00 O ATOM 230 CB LYS A 16 -0.372 -0.444 -17.570 1.00 10.00 C ATOM 231 CG LYS A 16 -0.379 -0.246 -19.081 1.00 10.00 C ATOM 232 CD LYS A 16 -0.116 -1.537 -19.824 1.00 10.00 C ATOM 233 CE LYS A 16 -0.743 -1.517 -21.208 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.193 -1.853 -21.171 1.00 10.00 N ATOM 0 H LYS A 16 -2.503 -0.971 -16.549 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.595 1.005 -15.984 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.658 -0.432 -17.213 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.779 -1.428 -17.337 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.343 0.159 -19.389 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.378 0.490 -19.354 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.959 -1.696 -19.912 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -0.516 -2.375 -19.253 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.611 -0.530 -21.651 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.223 -2.227 -21.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.526 -2.060 -22.134 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.341 -2.686 -20.567 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.726 -1.047 -20.786 1.00 10.00 H new ATOM 248 N ASP A 17 -2.703 1.766 -18.265 1.00 10.00 N ATOM 249 CA ASP A 17 -3.175 2.800 -19.167 1.00 10.00 C ATOM 250 C ASP A 17 -3.342 4.099 -18.392 1.00 10.00 C ATOM 251 O ASP A 17 -3.334 5.191 -18.959 1.00 10.00 O ATOM 252 CB ASP A 17 -4.486 2.392 -19.814 1.00 10.00 C ATOM 253 CG ASP A 17 -4.280 1.419 -20.963 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.844 0.275 -20.717 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.542 1.801 -22.122 1.00 10.00 O ATOM 0 H ASP A 17 -3.392 1.042 -18.062 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.444 2.944 -19.962 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.132 1.935 -19.065 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.001 3.280 -20.180 1.00 10.00 H new ATOM 260 N LYS A 18 -3.495 3.953 -17.086 1.00 10.00 N ATOM 261 CA LYS A 18 -3.617 5.085 -16.180 1.00 10.00 C ATOM 262 C LYS A 18 -2.255 5.282 -15.512 1.00 10.00 C ATOM 263 O LYS A 18 -1.538 4.309 -15.276 1.00 10.00 O ATOM 264 CB LYS A 18 -4.732 4.842 -15.145 1.00 10.00 C ATOM 265 CG LYS A 18 -4.240 4.438 -13.760 1.00 10.00 C ATOM 266 CD LYS A 18 -5.290 3.650 -12.980 1.00 10.00 C ATOM 267 CE LYS A 18 -6.687 4.223 -13.152 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.624 3.247 -13.769 1.00 10.00 N ATOM 0 H LYS A 18 -3.538 3.045 -16.623 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.897 5.987 -16.723 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.328 5.750 -15.053 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.395 4.063 -15.522 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.336 3.836 -13.859 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -3.968 5.332 -13.198 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.282 2.612 -13.312 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.028 3.649 -11.922 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.074 4.530 -12.180 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.637 5.118 -13.773 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.595 3.615 -13.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.366 3.101 -14.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.567 2.342 -13.261 1.00 10.00 H new ATOM 282 N PRO A 19 -1.848 6.520 -15.204 1.00 10.00 N ATOM 283 CA PRO A 19 -0.531 6.761 -14.616 1.00 10.00 C ATOM 284 C PRO A 19 -0.466 6.694 -13.089 1.00 10.00 C ATOM 285 O PRO A 19 -0.372 7.725 -12.417 1.00 10.00 O ATOM 286 CB PRO A 19 -0.241 8.181 -15.095 1.00 10.00 C ATOM 287 CG PRO A 19 -1.576 8.852 -15.148 1.00 10.00 C ATOM 288 CD PRO A 19 -2.599 7.771 -15.417 1.00 10.00 C ATOM 0 HA PRO A 19 0.181 5.992 -14.917 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.434 8.698 -14.412 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.238 8.177 -16.074 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.790 9.361 -14.208 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.598 9.608 -15.933 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.450 7.848 -14.740 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -2.992 7.835 -16.432 1.00 10.00 H new ATOM 296 N VAL A 20 -0.499 5.486 -12.528 1.00 10.00 N ATOM 297 CA VAL A 20 -0.383 5.330 -11.075 1.00 10.00 C ATOM 298 C VAL A 20 0.327 4.020 -10.690 1.00 10.00 C ATOM 299 O VAL A 20 0.278 3.022 -11.415 1.00 10.00 O ATOM 300 CB VAL A 20 -1.754 5.381 -10.309 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.692 6.462 -10.829 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.452 4.036 -10.322 1.00 10.00 C ATOM 0 H VAL A 20 -0.603 4.613 -13.045 1.00 10.00 H new ATOM 0 HA VAL A 20 0.210 6.192 -10.768 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.503 5.639 -9.280 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.620 6.444 -10.258 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.218 7.438 -10.721 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -2.910 6.279 -11.881 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.396 4.111 -9.783 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.645 3.736 -11.352 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -1.817 3.292 -9.841 1.00 10.00 H new ATOM 312 N SER A 21 1.031 4.071 -9.555 1.00 10.00 N ATOM 313 CA SER A 21 1.734 2.920 -8.982 1.00 10.00 C ATOM 314 C SER A 21 0.974 2.469 -7.739 1.00 10.00 C ATOM 315 O SER A 21 0.091 3.202 -7.273 1.00 10.00 O ATOM 316 CB SER A 21 3.173 3.299 -8.632 1.00 10.00 C ATOM 317 OG SER A 21 3.403 4.682 -8.850 1.00 10.00 O ATOM 0 H SER A 21 1.130 4.923 -9.002 1.00 10.00 H new ATOM 0 HA SER A 21 1.775 2.104 -9.704 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.374 3.053 -7.589 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.865 2.712 -9.237 1.00 10.00 H new ATOM 0 HG SER A 21 4.330 4.900 -8.617 1.00 10.00 H new ATOM 323 N PHE A 22 1.300 1.310 -7.170 1.00 10.00 N ATOM 324 CA PHE A 22 0.524 0.854 -6.023 1.00 10.00 C ATOM 325 C PHE A 22 1.261 0.684 -4.677 1.00 10.00 C ATOM 326 O PHE A 22 1.950 -0.307 -4.462 1.00 10.00 O ATOM 327 CB PHE A 22 -0.248 -0.422 -6.368 1.00 10.00 C ATOM 328 CG PHE A 22 -1.719 -0.172 -6.571 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.483 0.378 -5.556 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.334 -0.472 -7.772 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.831 0.620 -5.733 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.685 -0.231 -7.956 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.433 0.316 -6.935 1.00 10.00 C ATOM 0 H PHE A 22 2.059 0.696 -7.467 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.147 1.692 -5.837 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.170 -0.862 -7.273 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.114 -1.151 -5.568 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.018 0.621 -4.612 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.754 -0.899 -8.576 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.413 1.047 -4.930 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.153 -0.471 -8.899 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.487 0.506 -7.077 1.00 10.00 H new ATOM 343 N HIS A 23 1.110 1.619 -3.770 1.00 10.00 N ATOM 344 CA HIS A 23 1.931 1.628 -2.538 1.00 10.00 C ATOM 345 C HIS A 23 1.208 1.232 -1.293 1.00 10.00 C ATOM 346 O HIS A 23 0.019 1.318 -1.211 1.00 10.00 O ATOM 347 CB HIS A 23 2.423 3.033 -2.268 1.00 10.00 C ATOM 348 CG HIS A 23 2.091 3.989 -3.338 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.808 4.505 -4.359 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.822 4.453 -3.477 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.936 5.264 -5.100 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.742 5.202 -4.530 1.00 10.00 N flip ATOM 0 H HIS A 23 0.440 2.384 -3.841 1.00 10.00 H new ATOM 0 HA HIS A 23 2.719 0.902 -2.737 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.993 3.386 -1.331 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.505 3.011 -2.134 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.801 4.360 -4.543 1.00 10.00 H new ATOM 0 HD2 HIS A 23 0.003 4.231 -2.809 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.182 5.817 -5.995 1.00 10.00 H new ATOM 361 N LYS A 24 1.971 0.864 -0.293 1.00 10.00 N ATOM 362 CA LYS A 24 1.361 0.500 0.962 1.00 10.00 C ATOM 363 C LYS A 24 1.335 1.674 1.948 1.00 10.00 C ATOM 364 O LYS A 24 2.003 2.682 1.711 1.00 10.00 O ATOM 365 CB LYS A 24 2.098 -0.692 1.569 1.00 10.00 C ATOM 366 CG LYS A 24 1.603 -2.037 1.051 1.00 10.00 C ATOM 367 CD LYS A 24 2.641 -3.130 1.238 1.00 10.00 C ATOM 368 CE LYS A 24 3.148 -3.181 2.673 1.00 10.00 C ATOM 369 NZ LYS A 24 4.332 -4.069 2.812 1.00 10.00 N ATOM 0 H LYS A 24 2.989 0.809 -0.320 1.00 10.00 H new ATOM 0 HA LYS A 24 0.326 0.223 0.764 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.163 -0.598 1.356 1.00 10.00 H new ATOM 0 HB3 LYS A 24 1.987 -0.665 2.653 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.687 -2.313 1.573 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.353 -1.950 -0.006 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.208 -4.094 0.970 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.478 -2.957 0.562 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.408 -2.175 3.002 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.351 -3.534 3.327 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.646 -4.076 3.803 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.077 -5.035 2.523 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.102 -3.718 2.207 1.00 10.00 H new ATOM 383 N PHE A 25 0.555 1.587 3.014 1.00 10.00 N ATOM 384 CA PHE A 25 0.492 2.674 4.002 1.00 10.00 C ATOM 385 C PHE A 25 1.879 2.982 4.583 1.00 10.00 C ATOM 386 O PHE A 25 2.775 2.132 4.557 1.00 10.00 O ATOM 387 CB PHE A 25 -0.413 2.272 5.154 1.00 10.00 C ATOM 388 CG PHE A 25 -1.774 2.937 5.193 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.703 2.728 4.191 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.135 3.731 6.268 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.960 3.311 4.253 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.389 4.304 6.339 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.300 4.098 5.329 1.00 10.00 C ATOM 0 H PHE A 25 -0.041 0.787 3.224 1.00 10.00 H new ATOM 0 HA PHE A 25 0.107 3.557 3.491 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.559 1.193 5.116 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.103 2.491 6.089 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.447 2.102 3.349 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.425 3.905 7.063 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.671 3.147 3.457 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.655 4.915 7.189 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.278 4.552 5.381 1.00 10.00 H new ATOM 403 N PRO A 26 2.068 4.190 5.146 1.00 10.00 N ATOM 404 CA PRO A 26 3.336 4.582 5.777 1.00 10.00 C ATOM 405 C PRO A 26 3.396 3.970 7.166 1.00 10.00 C ATOM 406 O PRO A 26 3.364 4.645 8.192 1.00 10.00 O ATOM 407 CB PRO A 26 3.162 6.093 5.920 1.00 10.00 C ATOM 408 CG PRO A 26 1.713 6.240 6.196 1.00 10.00 C ATOM 409 CD PRO A 26 1.060 5.271 5.250 1.00 10.00 C ATOM 0 HA PRO A 26 4.227 4.278 5.227 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.770 6.494 6.731 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.455 6.620 5.012 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.479 6.003 7.234 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.375 7.261 6.018 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.110 4.903 5.638 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.853 5.727 4.282 1.00 10.00 H new ATOM 417 N LEU A 27 3.497 2.646 7.137 1.00 10.00 N ATOM 418 CA LEU A 27 3.520 1.791 8.301 1.00 10.00 C ATOM 419 C LEU A 27 4.490 2.196 9.380 1.00 10.00 C ATOM 420 O LEU A 27 4.257 2.123 10.582 1.00 10.00 O ATOM 421 CB LEU A 27 3.777 0.353 7.867 1.00 10.00 C ATOM 422 CG LEU A 27 2.512 -0.410 7.497 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.826 -1.863 7.178 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.512 -0.300 8.633 1.00 10.00 C ATOM 0 H LEU A 27 3.568 2.125 6.263 1.00 10.00 H new ATOM 0 HA LEU A 27 2.538 1.893 8.763 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.452 0.356 7.011 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.287 -0.175 8.673 1.00 10.00 H new ATOM 0 HG LEU A 27 2.078 0.029 6.599 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.906 -2.385 6.917 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.520 -1.909 6.339 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.278 -2.337 8.049 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.604 -0.845 8.373 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.943 -0.725 9.540 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.269 0.749 8.804 1.00 10.00 H new ATOM 436 N THR A 28 5.601 2.645 8.830 1.00 10.00 N ATOM 437 CA THR A 28 6.782 3.034 9.552 1.00 10.00 C ATOM 438 C THR A 28 6.772 4.504 9.971 1.00 10.00 C ATOM 439 O THR A 28 7.712 5.015 10.583 1.00 10.00 O ATOM 440 CB THR A 28 7.983 2.785 8.622 1.00 10.00 C ATOM 441 OG1 THR A 28 7.989 3.747 7.557 1.00 10.00 O ATOM 442 CG2 THR A 28 7.903 1.397 8.011 1.00 10.00 C ATOM 0 H THR A 28 5.703 2.751 7.821 1.00 10.00 H new ATOM 0 HA THR A 28 6.835 2.450 10.471 1.00 10.00 H new ATOM 0 HB THR A 28 8.893 2.875 9.215 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.757 3.582 6.971 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.760 1.238 7.356 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.908 0.649 8.804 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.983 1.306 7.433 1.00 10.00 H new ATOM 450 N ARG A 29 5.666 5.159 9.631 1.00 10.00 N ATOM 451 CA ARG A 29 5.392 6.526 10.009 1.00 10.00 C ATOM 452 C ARG A 29 3.991 6.530 10.593 1.00 10.00 C ATOM 453 O ARG A 29 3.118 7.233 10.107 1.00 10.00 O ATOM 454 CB ARG A 29 5.467 7.419 8.767 1.00 10.00 C ATOM 455 CG ARG A 29 6.533 8.497 8.827 1.00 10.00 C ATOM 456 CD ARG A 29 6.087 9.668 9.681 1.00 10.00 C ATOM 457 NE ARG A 29 6.779 9.723 10.970 1.00 10.00 N ATOM 458 CZ ARG A 29 8.026 10.161 11.147 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.750 10.590 10.119 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.556 10.169 12.363 1.00 10.00 N ATOM 0 H ARG A 29 4.924 4.737 9.072 1.00 10.00 H new ATOM 0 HA ARG A 29 6.113 6.906 10.733 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.652 6.791 7.895 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.497 7.894 8.618 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.454 8.078 9.233 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.758 8.845 7.819 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.264 10.597 9.138 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.013 9.599 9.853 1.00 10.00 H new ATOM 0 HE ARG A 29 6.270 9.403 11.794 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.353 10.587 9.179 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.703 10.922 10.269 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.010 9.841 13.160 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.510 10.503 12.502 1.00 10.00 H new ATOM 474 N PRO A 30 3.781 5.744 11.666 1.00 10.00 N ATOM 475 CA PRO A 30 2.470 5.539 12.282 1.00 10.00 C ATOM 476 C PRO A 30 1.651 6.803 12.551 1.00 10.00 C ATOM 477 O PRO A 30 0.514 6.886 12.127 1.00 10.00 O ATOM 478 CB PRO A 30 2.777 4.853 13.606 1.00 10.00 C ATOM 479 CG PRO A 30 4.257 4.908 13.773 1.00 10.00 C ATOM 480 CD PRO A 30 4.820 5.007 12.398 1.00 10.00 C ATOM 0 HA PRO A 30 1.848 4.969 11.592 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.274 5.357 14.431 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.425 3.822 13.600 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.550 5.766 14.378 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.626 4.018 14.283 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.772 5.537 12.389 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.999 4.023 11.964 1.00 10.00 H new ATOM 488 N SER A 31 2.199 7.765 13.280 1.00 10.00 N ATOM 489 CA SER A 31 1.462 8.998 13.573 1.00 10.00 C ATOM 490 C SER A 31 0.955 9.614 12.279 1.00 10.00 C ATOM 491 O SER A 31 -0.215 9.971 12.153 1.00 10.00 O ATOM 492 CB SER A 31 2.365 9.977 14.317 1.00 10.00 C ATOM 493 OG SER A 31 3.457 9.288 14.906 1.00 10.00 O ATOM 0 H SER A 31 3.138 7.723 13.677 1.00 10.00 H new ATOM 0 HA SER A 31 0.606 8.766 14.207 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.734 10.737 13.629 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.794 10.495 15.088 1.00 10.00 H new ATOM 0 HG SER A 31 4.030 9.927 15.379 1.00 10.00 H new ATOM 499 N LEU A 32 1.831 9.637 11.290 1.00 10.00 N ATOM 500 CA LEU A 32 1.505 10.177 9.987 1.00 10.00 C ATOM 501 C LEU A 32 0.516 9.233 9.315 1.00 10.00 C ATOM 502 O LEU A 32 -0.416 9.660 8.642 1.00 10.00 O ATOM 503 CB LEU A 32 2.812 10.354 9.192 1.00 10.00 C ATOM 504 CG LEU A 32 2.731 11.013 7.818 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.597 9.961 6.734 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.604 12.018 7.757 1.00 10.00 C ATOM 0 H LEU A 32 2.784 9.283 11.369 1.00 10.00 H new ATOM 0 HA LEU A 32 1.031 11.156 10.051 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.498 10.940 9.804 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.261 9.369 9.064 1.00 10.00 H new ATOM 0 HG LEU A 32 3.658 11.560 7.646 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.540 10.447 5.760 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.463 9.300 6.760 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.691 9.379 6.902 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.573 12.470 6.766 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.657 11.516 7.957 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.768 12.794 8.505 1.00 10.00 H new ATOM 518 N CYS A 33 0.673 7.954 9.605 1.00 10.00 N ATOM 519 CA CYS A 33 -0.193 6.929 9.067 1.00 10.00 C ATOM 520 C CYS A 33 -1.582 7.181 9.588 1.00 10.00 C ATOM 521 O CYS A 33 -2.576 7.018 8.888 1.00 10.00 O ATOM 522 CB CYS A 33 0.268 5.565 9.579 1.00 10.00 C ATOM 523 SG CYS A 33 -0.713 4.166 9.005 1.00 10.00 S ATOM 0 H CYS A 33 1.405 7.600 10.220 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.170 6.946 7.977 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.304 5.411 9.277 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.252 5.578 10.669 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.398 4.517 7.957 1.00 10.00 H new ATOM 529 N LYS A 34 -1.639 7.618 10.826 1.00 10.00 N ATOM 530 CA LYS A 34 -2.868 7.848 11.508 1.00 10.00 C ATOM 531 C LYS A 34 -3.671 9.000 10.936 1.00 10.00 C ATOM 532 O LYS A 34 -4.896 8.996 11.039 1.00 10.00 O ATOM 533 CB LYS A 34 -2.501 8.059 12.967 1.00 10.00 C ATOM 534 CG LYS A 34 -3.450 8.917 13.765 1.00 10.00 C ATOM 535 CD LYS A 34 -2.658 9.833 14.673 1.00 10.00 C ATOM 536 CE LYS A 34 -3.487 10.304 15.859 1.00 10.00 C ATOM 537 NZ LYS A 34 -4.318 9.215 16.434 1.00 10.00 N ATOM 0 H LYS A 34 -0.812 7.823 11.386 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.534 6.994 11.387 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.430 7.084 13.449 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.509 8.509 13.011 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.077 9.505 13.095 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.116 8.289 14.356 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.772 9.311 15.033 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.311 10.697 14.106 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -2.824 10.698 16.629 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.133 11.124 15.545 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.536 9.432 17.427 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -5.204 9.133 15.895 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.797 8.317 16.383 1.00 10.00 H new ATOM 551 N GLU A 35 -3.041 9.986 10.305 1.00 10.00 N ATOM 552 CA GLU A 35 -3.883 11.042 9.763 1.00 10.00 C ATOM 553 C GLU A 35 -4.582 10.523 8.551 1.00 10.00 C ATOM 554 O GLU A 35 -5.656 11.011 8.198 1.00 10.00 O ATOM 555 CB GLU A 35 -3.177 12.330 9.414 1.00 10.00 C ATOM 556 CG GLU A 35 -1.683 12.202 9.195 1.00 10.00 C ATOM 557 CD GLU A 35 -0.946 13.500 9.440 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.248 14.503 8.767 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.070 13.529 10.330 1.00 10.00 O ATOM 0 H GLU A 35 -2.035 10.076 10.163 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.573 11.305 10.564 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.628 12.741 8.510 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.352 13.051 10.213 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.287 11.433 9.858 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.496 11.870 8.174 1.00 10.00 H new ATOM 566 N TRP A 36 -3.998 9.491 7.936 1.00 10.00 N ATOM 567 CA TRP A 36 -4.618 8.896 6.776 1.00 10.00 C ATOM 568 C TRP A 36 -5.994 8.451 7.221 1.00 10.00 C ATOM 569 O TRP A 36 -6.938 8.522 6.438 1.00 10.00 O ATOM 570 CB TRP A 36 -3.810 7.709 6.228 1.00 10.00 C ATOM 571 CG TRP A 36 -2.485 8.096 5.626 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.624 9.055 6.089 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.865 7.536 4.452 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.517 9.135 5.278 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.638 8.216 4.272 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.219 6.533 3.528 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.226 7.932 3.218 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.354 6.257 2.482 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.146 6.954 2.335 1.00 10.00 C ATOM 0 H TRP A 36 -3.116 9.066 8.223 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.668 9.617 5.960 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.637 6.997 7.035 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.405 7.196 5.472 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.791 9.662 6.966 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.267 9.775 5.406 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.147 5.990 3.633 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.158 8.465 3.101 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.615 5.491 1.767 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.505 6.714 1.507 1.00 10.00 H new ATOM 590 N GLU A 37 -6.129 8.106 8.514 1.00 10.00 N ATOM 591 CA GLU A 37 -7.399 7.645 9.027 1.00 10.00 C ATOM 592 C GLU A 37 -8.474 8.679 8.733 1.00 10.00 C ATOM 593 O GLU A 37 -9.547 8.416 8.193 1.00 10.00 O ATOM 594 CB GLU A 37 -7.355 7.311 10.527 1.00 10.00 C ATOM 595 CG GLU A 37 -6.297 6.283 10.915 1.00 10.00 C ATOM 596 CD GLU A 37 -6.634 4.862 10.504 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.590 4.283 11.063 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.911 4.300 9.655 1.00 10.00 O ATOM 0 H GLU A 37 -5.377 8.142 9.202 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.638 6.712 8.517 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.173 8.229 11.086 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.333 6.940 10.833 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.347 6.566 10.461 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.155 6.313 11.995 1.00 10.00 H new ATOM 605 N ALA A 38 -8.068 9.914 9.114 1.00 10.00 N ATOM 606 CA ALA A 38 -8.845 11.137 8.987 1.00 10.00 C ATOM 607 C ALA A 38 -9.330 11.368 7.571 1.00 10.00 C ATOM 608 O ALA A 38 -10.437 11.865 7.360 1.00 10.00 O ATOM 609 CB ALA A 38 -8.009 12.324 9.450 1.00 10.00 C ATOM 0 H ALA A 38 -7.152 10.075 9.533 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.728 11.032 9.617 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.593 13.240 9.354 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.723 12.183 10.492 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.112 12.399 8.835 1.00 10.00 H new ATOM 615 N ALA A 39 -8.533 11.009 6.595 1.00 10.00 N ATOM 616 CA ALA A 39 -8.931 11.228 5.226 1.00 10.00 C ATOM 617 C ALA A 39 -9.743 10.039 4.717 1.00 10.00 C ATOM 618 O ALA A 39 -10.472 10.156 3.729 1.00 10.00 O ATOM 619 CB ALA A 39 -7.710 11.484 4.362 1.00 10.00 C ATOM 0 H ALA A 39 -7.620 10.571 6.718 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.567 12.111 5.172 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.022 11.648 3.331 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.185 12.367 4.727 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.045 10.621 4.407 1.00 10.00 H new ATOM 625 N VAL A 40 -9.666 8.922 5.427 1.00 10.00 N ATOM 626 CA VAL A 40 -10.470 7.748 5.124 1.00 10.00 C ATOM 627 C VAL A 40 -11.761 7.821 5.958 1.00 10.00 C ATOM 628 O VAL A 40 -12.262 6.821 6.470 1.00 10.00 O ATOM 629 CB VAL A 40 -9.719 6.437 5.428 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.490 5.226 4.919 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.323 6.466 4.825 1.00 10.00 C ATOM 0 H VAL A 40 -9.045 8.805 6.228 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.696 7.744 4.058 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.631 6.350 6.511 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -9.934 4.317 5.149 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.466 5.186 5.403 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.623 5.307 3.840 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.810 5.531 5.051 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.396 6.588 3.744 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.762 7.300 5.247 1.00 10.00 H new ATOM 641 N ARG A 41 -12.273 9.040 6.096 1.00 10.00 N ATOM 642 CA ARG A 41 -13.468 9.339 6.910 1.00 10.00 C ATOM 643 C ARG A 41 -14.757 8.646 6.444 1.00 10.00 C ATOM 644 O ARG A 41 -15.848 8.990 6.905 1.00 10.00 O ATOM 645 CB ARG A 41 -13.696 10.856 6.984 1.00 10.00 C ATOM 646 CG ARG A 41 -14.203 11.493 5.693 1.00 10.00 C ATOM 647 CD ARG A 41 -13.073 11.807 4.724 1.00 10.00 C ATOM 648 NE ARG A 41 -13.516 12.672 3.634 1.00 10.00 N ATOM 649 CZ ARG A 41 -12.780 12.974 2.565 1.00 10.00 C ATOM 650 NH1 ARG A 41 -11.583 12.417 2.394 1.00 10.00 N ATOM 651 NH2 ARG A 41 -13.264 13.810 1.651 1.00 10.00 N ATOM 0 H ARG A 41 -11.873 9.863 5.645 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.250 8.930 7.897 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.412 11.063 7.780 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.759 11.336 7.265 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -14.914 10.821 5.213 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.742 12.411 5.930 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.257 12.290 5.262 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -12.678 10.878 4.313 1.00 10.00 H new ATOM 0 HE ARG A 41 -14.452 13.072 3.695 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -11.225 11.756 3.083 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -11.024 12.652 1.574 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -14.192 14.215 1.771 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -12.707 14.046 0.830 1.00 10.00 H new ATOM 665 N ARG A 42 -14.646 7.679 5.552 1.00 10.00 N ATOM 666 CA ARG A 42 -15.813 6.954 5.070 1.00 10.00 C ATOM 667 C ARG A 42 -16.329 6.037 6.175 1.00 10.00 C ATOM 668 O ARG A 42 -15.528 5.468 6.914 1.00 10.00 O ATOM 669 CB ARG A 42 -15.448 6.136 3.827 1.00 10.00 C ATOM 670 CG ARG A 42 -16.614 5.393 3.202 1.00 10.00 C ATOM 671 CD ARG A 42 -17.706 6.342 2.728 1.00 10.00 C ATOM 672 NE ARG A 42 -19.010 5.684 2.682 1.00 10.00 N ATOM 673 CZ ARG A 42 -20.148 6.239 3.106 1.00 10.00 C ATOM 674 NH1 ARG A 42 -20.167 7.495 3.543 1.00 10.00 N ATOM 675 NH2 ARG A 42 -21.275 5.541 3.069 1.00 10.00 N ATOM 0 H ARG A 42 -13.761 7.376 5.145 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.595 7.664 4.798 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.016 6.804 3.081 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -14.675 5.415 4.095 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -16.257 4.801 2.359 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -17.030 4.695 3.928 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.756 7.202 3.395 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.454 6.721 1.738 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.054 4.739 2.301 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -19.307 8.043 3.556 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -21.042 7.910 3.865 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.271 4.583 2.718 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -22.146 5.962 3.392 1.00 10.00 H new ATOM 689 N LYS A 43 -17.656 5.922 6.310 1.00 10.00 N ATOM 690 CA LYS A 43 -18.247 5.059 7.337 1.00 10.00 C ATOM 691 C LYS A 43 -17.657 3.663 7.246 1.00 10.00 C ATOM 692 O LYS A 43 -17.099 3.140 8.215 1.00 10.00 O ATOM 693 CB LYS A 43 -19.775 4.976 7.202 1.00 10.00 C ATOM 694 CG LYS A 43 -20.339 3.665 7.741 1.00 10.00 C ATOM 695 CD LYS A 43 -21.855 3.624 7.720 1.00 10.00 C ATOM 696 CE LYS A 43 -22.371 2.332 8.342 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.840 2.176 8.184 1.00 10.00 N ATOM 0 H LYS A 43 -18.334 6.411 5.726 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.015 5.499 8.307 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.230 5.810 7.736 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.050 5.082 6.153 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.950 2.837 7.149 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -19.990 3.518 8.763 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.254 4.480 8.265 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.211 3.706 6.693 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.866 1.483 7.881 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.118 2.316 9.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.143 1.283 8.623 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.325 2.971 8.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.081 2.164 7.172 1.00 10.00 H new ATOM 711 N ASN A 44 -17.792 3.061 6.077 1.00 10.00 N ATOM 712 CA ASN A 44 -17.249 1.745 5.848 1.00 10.00 C ATOM 713 C ASN A 44 -15.770 1.877 5.534 1.00 10.00 C ATOM 714 O ASN A 44 -15.361 1.728 4.386 1.00 10.00 O ATOM 715 CB ASN A 44 -17.972 0.991 4.710 1.00 10.00 C ATOM 716 CG ASN A 44 -18.939 1.844 3.899 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.703 3.024 3.636 1.00 10.00 O ATOM 718 ND2 ASN A 44 -20.049 1.248 3.495 1.00 10.00 N ATOM 0 H ASN A 44 -18.274 3.467 5.275 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.399 1.155 6.752 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.224 0.573 4.036 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.520 0.152 5.139 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.737 1.767 2.950 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.216 0.269 3.728 1.00 10.00 H new ATOM 725 N PHE A 45 -15.003 2.264 6.559 1.00 10.00 N ATOM 726 CA PHE A 45 -13.552 2.419 6.449 1.00 10.00 C ATOM 727 C PHE A 45 -12.951 1.239 5.688 1.00 10.00 C ATOM 728 O PHE A 45 -13.198 0.078 6.017 1.00 10.00 O ATOM 729 CB PHE A 45 -12.912 2.553 7.851 1.00 10.00 C ATOM 730 CG PHE A 45 -11.448 2.955 7.851 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.490 2.104 7.338 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.026 4.172 8.378 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.155 2.436 7.335 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.686 4.517 8.380 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.749 3.649 7.857 1.00 10.00 C ATOM 0 H PHE A 45 -15.372 2.478 7.486 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.340 3.332 5.892 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.476 3.290 8.423 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.012 1.601 8.372 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.796 1.153 6.928 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.753 4.856 8.790 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.427 1.751 6.926 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.373 5.466 8.791 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.703 3.917 7.856 1.00 10.00 H new ATOM 745 N LYS A 46 -12.198 1.576 4.651 1.00 10.00 N ATOM 746 CA LYS A 46 -11.519 0.618 3.789 1.00 10.00 C ATOM 747 C LYS A 46 -10.484 -0.208 4.571 1.00 10.00 C ATOM 748 O LYS A 46 -10.472 -0.151 5.792 1.00 10.00 O ATOM 749 CB LYS A 46 -10.881 1.405 2.652 1.00 10.00 C ATOM 750 CG LYS A 46 -11.461 1.050 1.296 1.00 10.00 C ATOM 751 CD LYS A 46 -12.197 2.223 0.669 1.00 10.00 C ATOM 752 CE LYS A 46 -13.112 1.760 -0.453 1.00 10.00 C ATOM 753 NZ LYS A 46 -12.494 0.669 -1.257 1.00 10.00 N ATOM 0 H LYS A 46 -12.038 2.546 4.379 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.229 -0.105 3.388 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.017 2.471 2.833 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.807 1.217 2.644 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.659 0.727 0.632 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.145 0.208 1.403 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.783 2.738 1.431 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.476 2.943 0.281 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.055 1.412 -0.032 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.345 2.603 -1.103 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -13.008 0.566 -2.155 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -11.499 0.902 -1.452 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -12.542 -0.224 -0.726 1.00 10.00 H new ATOM 767 N PRO A 47 -9.652 -1.045 3.904 1.00 10.00 N ATOM 768 CA PRO A 47 -8.624 -1.844 4.586 1.00 10.00 C ATOM 769 C PRO A 47 -7.820 -1.018 5.594 1.00 10.00 C ATOM 770 O PRO A 47 -7.908 0.205 5.673 1.00 10.00 O ATOM 771 CB PRO A 47 -7.784 -2.378 3.443 1.00 10.00 C ATOM 772 CG PRO A 47 -8.728 -2.467 2.299 1.00 10.00 C ATOM 773 CD PRO A 47 -9.643 -1.292 2.452 1.00 10.00 C ATOM 0 HA PRO A 47 -9.040 -2.644 5.199 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -6.950 -1.713 3.219 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.359 -3.352 3.684 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.198 -2.432 1.347 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.284 -3.404 2.319 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.278 -0.426 1.900 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.643 -1.511 2.077 1.00 10.00 H new ATOM 781 N THR A 48 -6.944 -1.718 6.285 1.00 10.00 N ATOM 782 CA THR A 48 -5.985 -1.101 7.168 1.00 10.00 C ATOM 783 C THR A 48 -4.870 -0.715 6.237 1.00 10.00 C ATOM 784 O THR A 48 -5.032 -0.533 5.039 1.00 10.00 O ATOM 785 CB THR A 48 -5.529 -2.084 8.233 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.735 -3.141 7.655 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.755 -2.673 8.852 1.00 10.00 C ATOM 0 H THR A 48 -6.880 -2.735 6.247 1.00 10.00 H new ATOM 0 HA THR A 48 -6.378 -0.248 7.721 1.00 10.00 H new ATOM 0 HB THR A 48 -4.916 -1.568 8.972 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.719 -3.909 8.264 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.466 -3.386 9.624 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.355 -1.879 9.297 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.339 -3.184 8.087 1.00 10.00 H new ATOM 795 N LYS A 49 -3.710 -0.641 6.850 1.00 10.00 N ATOM 796 CA LYS A 49 -2.503 -0.171 6.215 1.00 10.00 C ATOM 797 C LYS A 49 -1.663 -1.279 5.567 1.00 10.00 C ATOM 798 O LYS A 49 -0.634 -0.984 4.960 1.00 10.00 O ATOM 799 CB LYS A 49 -1.662 0.540 7.290 1.00 10.00 C ATOM 800 CG LYS A 49 -1.866 0.031 8.718 1.00 10.00 C ATOM 801 CD LYS A 49 -2.490 1.099 9.609 1.00 10.00 C ATOM 802 CE LYS A 49 -3.995 1.191 9.408 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.638 2.130 10.364 1.00 10.00 N ATOM 0 H LYS A 49 -3.578 -0.912 7.824 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.795 0.494 5.402 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.608 0.437 7.031 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.893 1.605 7.264 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.506 -0.851 8.703 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -0.908 -0.278 9.135 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.276 0.872 10.653 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.034 2.065 9.393 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.203 1.515 8.388 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.435 0.201 9.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.460 1.669 10.804 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.955 2.397 11.101 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.950 2.982 9.856 1.00 10.00 H new ATOM 817 N TYR A 50 -2.058 -2.547 5.703 1.00 10.00 N ATOM 818 CA TYR A 50 -1.340 -3.595 4.998 1.00 10.00 C ATOM 819 C TYR A 50 -1.819 -3.518 3.566 1.00 10.00 C ATOM 820 O TYR A 50 -1.057 -3.882 2.675 1.00 10.00 O ATOM 821 CB TYR A 50 -1.664 -4.953 5.585 1.00 10.00 C ATOM 822 CG TYR A 50 -1.107 -5.204 6.964 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.205 -5.610 7.127 1.00 10.00 C ATOM 824 CD2 TYR A 50 -1.911 -5.098 8.091 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.705 -5.923 8.366 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.411 -5.389 9.345 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.103 -5.811 9.472 1.00 10.00 C ATOM 828 OH TYR A 50 0.388 -6.182 10.695 1.00 10.00 O ATOM 0 H TYR A 50 -2.843 -2.860 6.275 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.261 -3.464 5.076 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.747 -5.066 5.622 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.286 -5.722 4.912 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.848 -5.682 6.263 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -2.939 -4.784 7.986 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.727 -6.255 8.471 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.038 -5.287 10.219 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.300 -6.044 11.379 1.00 10.00 H new ATOM 838 N SER A 51 -3.041 -3.117 3.293 1.00 10.00 N ATOM 839 CA SER A 51 -3.422 -2.952 1.894 1.00 10.00 C ATOM 840 C SER A 51 -2.577 -1.841 1.271 1.00 10.00 C ATOM 841 O SER A 51 -1.836 -1.127 1.946 1.00 10.00 O ATOM 842 CB SER A 51 -4.888 -2.625 1.784 1.00 10.00 C ATOM 843 OG SER A 51 -5.229 -1.650 2.722 1.00 10.00 O ATOM 0 H SER A 51 -3.764 -2.906 3.980 1.00 10.00 H new ATOM 0 HA SER A 51 -3.243 -3.884 1.358 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.116 -2.270 0.779 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.483 -3.523 1.948 1.00 10.00 H new ATOM 0 HG SER A 51 -5.502 -0.831 2.258 1.00 10.00 H new ATOM 849 N SER A 52 -2.742 -1.701 -0.034 1.00 10.00 N ATOM 850 CA SER A 52 -2.019 -0.723 -0.810 1.00 10.00 C ATOM 851 C SER A 52 -2.978 0.378 -1.309 1.00 10.00 C ATOM 852 O SER A 52 -4.199 0.188 -1.370 1.00 10.00 O ATOM 853 CB SER A 52 -1.315 -1.460 -1.954 1.00 10.00 C ATOM 854 OG SER A 52 -1.987 -2.695 -2.269 1.00 10.00 O ATOM 0 H SER A 52 -3.387 -2.269 -0.583 1.00 10.00 H new ATOM 0 HA SER A 52 -1.266 -0.217 -0.206 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.287 -0.823 -2.838 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.281 -1.666 -1.676 1.00 10.00 H new ATOM 0 HG SER A 52 -1.518 -3.144 -3.003 1.00 10.00 H new ATOM 860 N ILE A 53 -2.372 1.513 -1.694 1.00 10.00 N ATOM 861 CA ILE A 53 -3.061 2.725 -2.126 1.00 10.00 C ATOM 862 C ILE A 53 -2.408 3.182 -3.445 1.00 10.00 C ATOM 863 O ILE A 53 -1.271 2.802 -3.700 1.00 10.00 O ATOM 864 CB ILE A 53 -2.968 3.851 -1.037 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.711 3.476 0.261 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.523 5.164 -1.558 1.00 10.00 C ATOM 867 CD1 ILE A 53 -3.022 2.429 1.111 1.00 10.00 C ATOM 0 H ILE A 53 -1.357 1.608 -1.711 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.121 2.521 -2.275 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.908 3.963 -0.809 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.845 4.377 0.859 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.706 3.115 0.001 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.445 5.925 -0.782 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.954 5.478 -2.433 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.569 5.033 -1.834 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.620 2.232 2.001 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.912 1.509 0.537 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -2.038 2.791 1.408 1.00 10.00 H new ATOM 879 N CYS A 54 -3.079 3.977 -4.292 1.00 10.00 N ATOM 880 CA CYS A 54 -2.460 4.431 -5.531 1.00 10.00 C ATOM 881 C CYS A 54 -2.084 5.926 -5.456 1.00 10.00 C ATOM 882 O CYS A 54 -2.624 6.684 -4.652 1.00 10.00 O ATOM 883 CB CYS A 54 -3.370 4.097 -6.721 1.00 10.00 C ATOM 884 SG CYS A 54 -4.845 5.110 -6.852 1.00 10.00 S ATOM 0 H CYS A 54 -4.031 4.310 -4.140 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.521 3.898 -5.681 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.794 4.200 -7.640 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.670 3.052 -6.648 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.571 4.960 -5.784 1.00 10.00 H new ATOM 889 N SER A 55 -1.139 6.300 -6.316 1.00 10.00 N ATOM 890 CA SER A 55 -0.478 7.625 -6.368 1.00 10.00 C ATOM 891 C SER A 55 -1.348 8.893 -6.428 1.00 10.00 C ATOM 892 O SER A 55 -0.994 9.893 -5.807 1.00 10.00 O ATOM 893 CB SER A 55 0.482 7.614 -7.552 1.00 10.00 C ATOM 894 OG SER A 55 0.037 6.729 -8.549 1.00 10.00 O ATOM 0 H SER A 55 -0.789 5.666 -7.034 1.00 10.00 H new ATOM 0 HA SER A 55 -0.001 7.722 -5.393 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.569 8.619 -7.964 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.477 7.320 -7.216 1.00 10.00 H new ATOM 0 HG SER A 55 -0.584 7.195 -9.147 1.00 10.00 H new ATOM 900 N GLU A 56 -2.453 8.854 -7.137 1.00 10.00 N ATOM 901 CA GLU A 56 -3.328 10.025 -7.323 1.00 10.00 C ATOM 902 C GLU A 56 -3.770 10.696 -6.024 1.00 10.00 C ATOM 903 O GLU A 56 -4.249 11.829 -6.031 1.00 10.00 O ATOM 904 CB GLU A 56 -4.561 9.584 -8.099 1.00 10.00 C ATOM 905 CG GLU A 56 -4.917 8.138 -7.810 1.00 10.00 C ATOM 906 CD GLU A 56 -6.394 7.903 -7.597 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.215 8.586 -8.225 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.727 7.006 -6.779 1.00 10.00 O ATOM 0 H GLU A 56 -2.785 8.013 -7.609 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.744 10.770 -7.862 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.403 10.225 -7.839 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.383 9.709 -9.167 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.576 7.517 -8.639 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.375 7.811 -6.923 1.00 10.00 H new ATOM 915 N HIS A 57 -3.609 9.992 -4.920 1.00 10.00 N ATOM 916 CA HIS A 57 -4.053 10.479 -3.615 1.00 10.00 C ATOM 917 C HIS A 57 -3.029 11.343 -2.865 1.00 10.00 C ATOM 918 O HIS A 57 -3.406 12.057 -1.931 1.00 10.00 O ATOM 919 CB HIS A 57 -4.438 9.288 -2.746 1.00 10.00 C ATOM 920 CG HIS A 57 -5.545 8.460 -3.318 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.820 8.929 -3.568 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.546 7.158 -3.684 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.541 7.913 -4.062 1.00 10.00 C ATOM 924 NE2 HIS A 57 -6.807 6.814 -4.155 1.00 10.00 N ATOM 0 H HIS A 57 -3.170 9.071 -4.895 1.00 10.00 H new ATOM 0 HA HIS A 57 -4.903 11.132 -3.812 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.561 8.657 -2.601 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.737 9.649 -1.762 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.699 6.490 -3.620 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.581 7.981 -4.346 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.106 5.902 -4.501 1.00 10.00 H new ATOM 932 N PHE A 58 -1.760 11.311 -3.256 1.00 10.00 N ATOM 933 CA PHE A 58 -0.742 12.085 -2.529 1.00 10.00 C ATOM 934 C PHE A 58 0.224 12.766 -3.469 1.00 10.00 C ATOM 935 O PHE A 58 0.620 12.200 -4.489 1.00 10.00 O ATOM 936 CB PHE A 58 0.056 11.220 -1.545 1.00 10.00 C ATOM 937 CG PHE A 58 -0.144 9.755 -1.723 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.471 9.108 -2.763 1.00 10.00 C ATOM 939 CD2 PHE A 58 -0.937 9.032 -0.852 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.305 7.763 -2.946 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.111 7.677 -1.027 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.488 7.040 -2.077 1.00 10.00 C ATOM 0 H PHE A 58 -1.410 10.775 -4.050 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.294 12.839 -1.968 1.00 10.00 H new ATOM 0 HB2 PHE A 58 1.116 11.447 -1.655 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.224 11.493 -0.528 1.00 10.00 H new ATOM 0 HD1 PHE A 58 1.094 9.667 -3.446 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.424 9.533 -0.028 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.794 7.266 -3.771 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.733 7.117 -0.344 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.619 5.978 -2.220 1.00 10.00 H new ATOM 952 N THR A 59 0.528 14.013 -3.128 1.00 10.00 N ATOM 953 CA THR A 59 1.434 14.820 -3.888 1.00 10.00 C ATOM 954 C THR A 59 2.645 14.038 -4.287 1.00 10.00 C ATOM 955 O THR A 59 3.155 13.234 -3.515 1.00 10.00 O ATOM 956 CB THR A 59 1.825 16.082 -3.115 1.00 10.00 C ATOM 957 OG1 THR A 59 1.931 15.790 -1.714 1.00 10.00 O ATOM 958 CG2 THR A 59 0.776 17.157 -3.341 1.00 10.00 C ATOM 0 H THR A 59 0.142 14.482 -2.308 1.00 10.00 H new ATOM 0 HA THR A 59 0.922 15.130 -4.799 1.00 10.00 H new ATOM 0 HB THR A 59 2.792 16.437 -3.472 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.183 16.603 -1.229 1.00 10.00 H new ATOM 0 HG21 THR A 59 1.053 18.057 -2.791 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.714 17.387 -4.405 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.192 16.800 -2.989 1.00 10.00 H new ATOM 966 N PRO A 60 3.082 14.226 -5.524 1.00 10.00 N ATOM 967 CA PRO A 60 4.246 13.548 -6.067 1.00 10.00 C ATOM 968 C PRO A 60 5.449 13.640 -5.153 1.00 10.00 C ATOM 969 O PRO A 60 6.256 12.718 -5.050 1.00 10.00 O ATOM 970 CB PRO A 60 4.533 14.319 -7.363 1.00 10.00 C ATOM 971 CG PRO A 60 3.664 15.533 -7.308 1.00 10.00 C ATOM 972 CD PRO A 60 2.472 15.120 -6.515 1.00 10.00 C ATOM 0 HA PRO A 60 4.060 12.483 -6.205 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.586 14.593 -7.431 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.304 13.712 -8.239 1.00 10.00 H new ATOM 0 HG2 PRO A 60 4.182 16.368 -6.836 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.379 15.859 -8.308 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.973 15.970 -6.050 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.728 14.609 -7.127 1.00 10.00 H new ATOM 980 N ASP A 61 5.468 14.736 -4.404 1.00 10.00 N ATOM 981 CA ASP A 61 6.479 14.961 -3.389 1.00 10.00 C ATOM 982 C ASP A 61 6.353 13.846 -2.363 1.00 10.00 C ATOM 983 O ASP A 61 7.338 13.209 -2.005 1.00 10.00 O ATOM 984 CB ASP A 61 6.284 16.301 -2.683 1.00 10.00 C ATOM 985 CG ASP A 61 6.025 17.442 -3.640 1.00 10.00 C ATOM 986 OD1 ASP A 61 6.986 17.903 -4.293 1.00 10.00 O ATOM 987 OD2 ASP A 61 4.861 17.880 -3.738 1.00 10.00 O ATOM 0 H ASP A 61 4.784 15.488 -4.486 1.00 10.00 H new ATOM 0 HA ASP A 61 7.461 14.973 -3.862 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.448 16.221 -1.988 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.171 16.525 -2.091 1.00 10.00 H new ATOM 992 N SER A 62 5.118 13.592 -1.902 1.00 10.00 N ATOM 993 CA SER A 62 4.876 12.632 -0.838 1.00 10.00 C ATOM 994 C SER A 62 4.594 11.228 -1.334 1.00 10.00 C ATOM 995 O SER A 62 4.244 10.348 -0.563 1.00 10.00 O ATOM 996 CB SER A 62 3.663 13.080 -0.028 1.00 10.00 C ATOM 997 OG SER A 62 3.888 12.905 1.359 1.00 10.00 O ATOM 0 H SER A 62 4.276 14.045 -2.257 1.00 10.00 H new ATOM 0 HA SER A 62 5.790 12.601 -0.245 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.449 14.128 -0.236 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.786 12.509 -0.333 1.00 10.00 H new ATOM 0 HG SER A 62 3.061 12.604 1.789 1.00 10.00 H new ATOM 1003 N PHE A 63 4.746 11.058 -2.635 1.00 10.00 N ATOM 1004 CA PHE A 63 4.521 9.777 -3.307 1.00 10.00 C ATOM 1005 C PHE A 63 5.015 8.553 -2.515 1.00 10.00 C ATOM 1006 O PHE A 63 4.224 7.660 -2.218 1.00 10.00 O ATOM 1007 CB PHE A 63 5.201 9.763 -4.677 1.00 10.00 C ATOM 1008 CG PHE A 63 4.302 10.053 -5.851 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.925 9.965 -5.746 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.849 10.414 -7.072 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.116 10.230 -6.822 1.00 10.00 C ATOM 1012 CE2 PHE A 63 4.039 10.682 -8.159 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.669 10.590 -8.033 1.00 10.00 C ATOM 0 H PHE A 63 5.031 11.807 -3.266 1.00 10.00 H new ATOM 0 HA PHE A 63 3.438 9.694 -3.399 1.00 10.00 H new ATOM 0 HB2 PHE A 63 6.008 10.496 -4.670 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.659 8.785 -4.826 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.480 9.683 -4.803 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.922 10.487 -7.175 1.00 10.00 H new ATOM 0 HE1 PHE A 63 1.043 10.156 -6.720 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.478 10.963 -9.105 1.00 10.00 H new ATOM 0 HZ PHE A 63 2.032 10.799 -8.879 1.00 10.00 H new ATOM 1023 N LYS A 64 6.312 8.509 -2.172 1.00 10.00 N ATOM 1024 CA LYS A 64 6.875 7.343 -1.469 1.00 10.00 C ATOM 1025 C LYS A 64 8.339 7.566 -1.097 1.00 10.00 C ATOM 1026 O LYS A 64 8.715 8.662 -0.712 1.00 10.00 O ATOM 1027 CB LYS A 64 6.746 6.092 -2.347 1.00 10.00 C ATOM 1028 CG LYS A 64 7.140 6.333 -3.797 1.00 10.00 C ATOM 1029 CD LYS A 64 7.191 5.045 -4.600 1.00 10.00 C ATOM 1030 CE LYS A 64 7.167 5.330 -6.090 1.00 10.00 C ATOM 1031 NZ LYS A 64 7.935 4.322 -6.866 1.00 10.00 N ATOM 0 H LYS A 64 6.982 9.253 -2.365 1.00 10.00 H new ATOM 0 HA LYS A 64 6.311 7.204 -0.547 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.371 5.300 -1.934 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.716 5.736 -2.312 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.427 7.017 -4.256 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.115 6.819 -3.831 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.095 4.490 -4.347 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.344 4.413 -4.334 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.134 5.345 -6.439 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.581 6.321 -6.275 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 7.432 4.108 -7.751 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.879 4.699 -7.087 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 8.033 3.452 -6.304 1.00 10.00 H new ATOM 1045 N ARG A 65 9.167 6.519 -1.230 1.00 10.00 N ATOM 1046 CA ARG A 65 10.597 6.592 -0.895 1.00 10.00 C ATOM 1047 C ARG A 65 11.341 7.620 -1.745 1.00 10.00 C ATOM 1048 O ARG A 65 12.486 7.970 -1.456 1.00 10.00 O ATOM 1049 CB ARG A 65 11.262 5.216 -1.041 1.00 10.00 C ATOM 1050 CG ARG A 65 10.905 4.478 -2.324 1.00 10.00 C ATOM 1051 CD ARG A 65 11.036 2.970 -2.151 1.00 10.00 C ATOM 1052 NE ARG A 65 12.276 2.438 -2.729 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.785 1.236 -2.432 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.189 0.462 -1.530 1.00 10.00 N ATOM 1055 NH2 ARG A 65 13.894 0.813 -3.032 1.00 10.00 N ATOM 0 H ARG A 65 8.868 5.605 -1.570 1.00 10.00 H new ATOM 0 HA ARG A 65 10.659 6.914 0.144 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.344 5.342 -0.998 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.979 4.597 -0.189 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.884 4.725 -2.616 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.557 4.811 -3.131 1.00 10.00 H new ATOM 0 HD2 ARG A 65 11.001 2.726 -1.089 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.182 2.479 -2.619 1.00 10.00 H new ATOM 0 HE ARG A 65 12.781 3.020 -3.398 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.342 0.784 -1.062 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.579 -0.453 -1.306 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.359 1.405 -3.720 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.280 -0.103 -2.804 1.00 10.00 H new ATOM 1069 N GLU A 66 10.687 8.096 -2.789 1.00 10.00 N ATOM 1070 CA GLU A 66 11.269 9.100 -3.671 1.00 10.00 C ATOM 1071 C GLU A 66 11.027 10.493 -3.092 1.00 10.00 C ATOM 1072 O GLU A 66 11.312 11.500 -3.736 1.00 10.00 O ATOM 1073 CB GLU A 66 10.704 8.991 -5.102 1.00 10.00 C ATOM 1074 CG GLU A 66 10.075 7.640 -5.415 1.00 10.00 C ATOM 1075 CD GLU A 66 10.531 7.064 -6.740 1.00 10.00 C ATOM 1076 OE1 GLU A 66 11.262 7.755 -7.480 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.162 5.911 -7.041 1.00 10.00 O ATOM 0 H GLU A 66 9.746 7.803 -3.051 1.00 10.00 H new ATOM 0 HA GLU A 66 12.343 8.923 -3.736 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.957 9.771 -5.248 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.507 9.181 -5.815 1.00 10.00 H new ATOM 0 HG2 GLU A 66 10.320 6.939 -4.617 1.00 10.00 H new ATOM 0 HG3 GLU A 66 8.990 7.745 -5.425 1.00 10.00 H new ATOM 1084 N SER A 67 10.474 10.530 -1.876 1.00 10.00 N ATOM 1085 CA SER A 67 10.169 11.770 -1.181 1.00 10.00 C ATOM 1086 C SER A 67 11.459 12.483 -0.720 1.00 10.00 C ATOM 1087 O SER A 67 12.199 13.034 -1.536 1.00 10.00 O ATOM 1088 CB SER A 67 9.201 11.442 -0.011 1.00 10.00 C ATOM 1089 OG SER A 67 9.317 12.310 1.101 1.00 10.00 O ATOM 0 H SER A 67 10.227 9.692 -1.349 1.00 10.00 H new ATOM 0 HA SER A 67 9.676 12.474 -1.851 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.176 11.479 -0.381 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.383 10.420 0.320 1.00 10.00 H new ATOM 0 HG SER A 67 9.424 11.781 1.919 1.00 10.00 H new ATOM 1095 N ASN A 68 11.716 12.479 0.576 1.00 10.00 N ATOM 1096 CA ASN A 68 12.885 13.138 1.138 1.00 10.00 C ATOM 1097 C ASN A 68 13.992 12.158 1.499 1.00 10.00 C ATOM 1098 O ASN A 68 15.088 12.215 0.944 1.00 10.00 O ATOM 1099 CB ASN A 68 12.481 13.935 2.380 1.00 10.00 C ATOM 1100 CG ASN A 68 12.615 15.432 2.184 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.779 16.061 1.539 1.00 10.00 O ATOM 1102 ND2 ASN A 68 13.662 16.014 2.748 1.00 10.00 N ATOM 0 H ASN A 68 11.123 12.021 1.268 1.00 10.00 H new ATOM 0 HA ASN A 68 13.279 13.805 0.371 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.449 13.698 2.639 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.100 13.626 3.222 1.00 10.00 H new ATOM 0 HD21 ASN A 68 13.797 17.021 2.655 1.00 10.00 H new ATOM 0 HD22 ASN A 68 14.333 15.456 3.275 1.00 10.00 H new ATOM 1109 N ASN A 69 13.710 11.266 2.446 1.00 10.00 N ATOM 1110 CA ASN A 69 14.711 10.306 2.901 1.00 10.00 C ATOM 1111 C ASN A 69 14.484 8.918 2.311 1.00 10.00 C ATOM 1112 O ASN A 69 15.208 8.493 1.411 1.00 10.00 O ATOM 1113 CB ASN A 69 14.691 10.237 4.434 1.00 10.00 C ATOM 1114 CG ASN A 69 15.612 9.164 4.994 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.721 8.957 4.505 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.148 8.474 6.026 1.00 10.00 N ATOM 0 H ASN A 69 12.805 11.188 2.909 1.00 10.00 H new ATOM 0 HA ASN A 69 15.686 10.648 2.555 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.983 11.206 4.839 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.672 10.045 4.770 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.717 7.739 6.445 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.222 8.678 6.401 1.00 10.00 H new ATOM 1123 N LYS A 70 13.468 8.218 2.801 1.00 10.00 N ATOM 1124 CA LYS A 70 13.175 6.873 2.314 1.00 10.00 C ATOM 1125 C LYS A 70 11.675 6.581 2.345 1.00 10.00 C ATOM 1126 O LYS A 70 11.242 5.486 2.001 1.00 10.00 O ATOM 1127 CB LYS A 70 13.945 5.837 3.143 1.00 10.00 C ATOM 1128 CG LYS A 70 14.171 4.510 2.425 1.00 10.00 C ATOM 1129 CD LYS A 70 15.088 4.662 1.217 1.00 10.00 C ATOM 1130 CE LYS A 70 16.536 4.881 1.630 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.413 5.153 0.458 1.00 10.00 N ATOM 0 H LYS A 70 12.837 8.554 3.529 1.00 10.00 H new ATOM 0 HA LYS A 70 13.499 6.809 1.275 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.912 6.256 3.422 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.400 5.649 4.068 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.604 3.791 3.120 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.212 4.104 2.103 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.019 3.770 0.594 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.752 5.502 0.609 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.592 5.717 2.327 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.900 4.000 2.159 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.391 5.296 0.782 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.380 4.345 -0.195 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.082 6.008 -0.032 1.00 10.00 H new ATOM 1145 N LEU A 71 10.886 7.557 2.763 1.00 10.00 N ATOM 1146 CA LEU A 71 9.441 7.384 2.844 1.00 10.00 C ATOM 1147 C LEU A 71 8.756 8.700 2.465 1.00 10.00 C ATOM 1148 O LEU A 71 9.426 9.579 1.952 1.00 10.00 O ATOM 1149 CB LEU A 71 9.068 6.923 4.256 1.00 10.00 C ATOM 1150 CG LEU A 71 8.014 5.818 4.333 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.863 6.258 5.215 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.515 5.441 2.944 1.00 10.00 C ATOM 0 H LEU A 71 11.219 8.477 3.052 1.00 10.00 H new ATOM 0 HA LEU A 71 9.102 6.619 2.145 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.972 6.574 4.756 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.707 7.785 4.817 1.00 10.00 H new ATOM 0 HG LEU A 71 8.474 4.933 4.773 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.118 5.464 5.263 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.233 6.470 6.218 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.409 7.157 4.799 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.766 4.653 3.028 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.070 6.315 2.468 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.351 5.085 2.341 1.00 10.00 H new ATOM 1164 N LEU A 72 7.451 8.852 2.780 1.00 10.00 N ATOM 1165 CA LEU A 72 6.683 10.053 2.380 1.00 10.00 C ATOM 1166 C LEU A 72 7.252 11.283 3.058 1.00 10.00 C ATOM 1167 O LEU A 72 8.282 11.255 3.735 1.00 10.00 O ATOM 1168 CB LEU A 72 5.191 9.891 2.678 1.00 10.00 C ATOM 1169 CG LEU A 72 4.567 8.591 2.158 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.558 7.529 3.229 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.156 8.815 1.659 1.00 10.00 C ATOM 0 H LEU A 72 6.911 8.165 3.305 1.00 10.00 H new ATOM 0 HA LEU A 72 6.779 10.178 1.301 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.043 9.942 3.757 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.655 10.734 2.243 1.00 10.00 H new ATOM 0 HG LEU A 72 5.182 8.253 1.324 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.110 6.617 2.834 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.580 7.323 3.546 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.977 7.878 4.083 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.744 7.873 1.298 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.538 9.193 2.473 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.169 9.541 0.846 1.00 10.00 H new ATOM 1183 N LYS A 73 6.520 12.381 2.873 1.00 10.00 N ATOM 1184 CA LYS A 73 6.803 13.599 3.606 1.00 10.00 C ATOM 1185 C LYS A 73 5.983 13.453 4.877 1.00 10.00 C ATOM 1186 O LYS A 73 4.767 13.504 4.821 1.00 10.00 O ATOM 1187 CB LYS A 73 6.385 14.909 2.906 1.00 10.00 C ATOM 1188 CG LYS A 73 6.236 14.861 1.399 1.00 10.00 C ATOM 1189 CD LYS A 73 7.522 14.487 0.691 1.00 10.00 C ATOM 1190 CE LYS A 73 8.698 15.365 1.083 1.00 10.00 C ATOM 1191 NZ LYS A 73 8.438 16.811 0.854 1.00 10.00 N ATOM 0 H LYS A 73 5.734 12.445 2.226 1.00 10.00 H new ATOM 0 HA LYS A 73 7.881 13.693 3.738 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.435 15.233 3.331 1.00 10.00 H new ATOM 0 HB3 LYS A 73 7.121 15.675 3.150 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.461 14.140 1.138 1.00 10.00 H new ATOM 0 HG3 LYS A 73 5.900 15.834 1.041 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.763 13.448 0.914 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.369 14.555 -0.386 1.00 10.00 H new ATOM 0 HE2 LYS A 73 8.931 15.204 2.136 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.577 15.064 0.513 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 9.305 17.354 1.041 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 8.143 16.959 -0.132 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.683 17.133 1.493 1.00 10.00 H new ATOM 1205 N GLU A 74 6.634 13.162 5.981 1.00 10.00 N ATOM 1206 CA GLU A 74 5.962 12.963 7.277 1.00 10.00 C ATOM 1207 C GLU A 74 4.981 14.067 7.696 1.00 10.00 C ATOM 1208 O GLU A 74 4.299 13.963 8.717 1.00 10.00 O ATOM 1209 CB GLU A 74 7.008 12.839 8.371 1.00 10.00 C ATOM 1210 CG GLU A 74 7.623 14.160 8.787 1.00 10.00 C ATOM 1211 CD GLU A 74 8.755 14.608 7.877 1.00 10.00 C ATOM 1212 OE1 GLU A 74 9.218 13.795 7.047 1.00 10.00 O ATOM 1213 OE2 GLU A 74 9.187 15.774 7.993 1.00 10.00 O ATOM 0 H GLU A 74 7.647 13.053 6.021 1.00 10.00 H new ATOM 0 HA GLU A 74 5.369 12.058 7.144 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.553 12.371 9.244 1.00 10.00 H new ATOM 0 HB3 GLU A 74 7.800 12.173 8.029 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.848 14.927 8.796 1.00 10.00 H new ATOM 0 HG3 GLU A 74 7.998 14.073 9.807 1.00 10.00 H new ATOM 1220 N ASN A 75 4.930 15.112 6.906 1.00 10.00 N ATOM 1221 CA ASN A 75 3.986 16.206 7.113 1.00 10.00 C ATOM 1222 C ASN A 75 2.909 16.217 6.009 1.00 10.00 C ATOM 1223 O ASN A 75 2.210 17.212 5.813 1.00 10.00 O ATOM 1224 CB ASN A 75 4.718 17.535 7.124 1.00 10.00 C ATOM 1225 CG ASN A 75 4.874 18.096 8.520 1.00 10.00 C ATOM 1226 OD1 ASN A 75 4.985 17.216 9.499 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 4.901 19.312 8.715 1.00 10.00 N flip ATOM 0 H ASN A 75 5.539 15.237 6.097 1.00 10.00 H new ATOM 0 HA ASN A 75 3.498 16.055 8.076 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.703 17.408 6.674 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.175 18.251 6.506 1.00 10.00 H new ATOM 0 HD21 ASN A 75 4.812 19.957 7.930 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.013 19.674 9.662 1.00 10.00 H new ATOM 1234 N ALA A 76 2.792 15.098 5.303 1.00 10.00 N ATOM 1235 CA ALA A 76 1.838 14.933 4.199 1.00 10.00 C ATOM 1236 C ALA A 76 1.248 13.535 4.226 1.00 10.00 C ATOM 1237 O ALA A 76 1.889 12.528 4.526 1.00 10.00 O ATOM 1238 CB ALA A 76 2.530 15.136 2.857 1.00 10.00 C ATOM 0 H ALA A 76 3.360 14.269 5.478 1.00 10.00 H new ATOM 0 HA ALA A 76 1.051 15.677 4.321 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.806 15.010 2.052 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.950 16.141 2.813 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.329 14.403 2.745 1.00 10.00 H new ATOM 1244 N VAL A 77 -0.038 13.560 3.868 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.943 12.422 3.829 1.00 10.00 C ATOM 1246 C VAL A 77 -1.923 12.626 2.668 1.00 10.00 C ATOM 1247 O VAL A 77 -2.160 13.769 2.276 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.726 12.363 5.183 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.845 13.756 5.796 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.123 11.764 5.042 1.00 10.00 C ATOM 0 H VAL A 77 -0.496 14.426 3.583 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.394 11.491 3.686 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.148 11.709 5.835 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.392 13.694 6.737 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.849 14.158 5.982 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.379 14.412 5.108 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.613 11.751 6.015 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.709 12.367 4.348 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.045 10.746 4.661 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.438 11.532 2.061 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.430 11.603 0.987 1.00 10.00 C ATOM 1262 C PRO A 78 -4.498 12.592 1.409 1.00 10.00 C ATOM 1263 O PRO A 78 -5.205 12.408 2.396 1.00 10.00 O ATOM 1264 CB PRO A 78 -3.970 10.172 0.874 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.274 9.376 1.927 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.074 10.166 2.367 1.00 10.00 C ATOM 0 HA PRO A 78 -3.042 11.940 0.026 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.050 10.151 1.021 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.776 9.760 -0.116 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.940 9.188 2.769 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -2.972 8.404 1.537 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.873 10.033 3.430 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.175 9.861 1.832 1.00 10.00 H new ATOM 1274 N THR A 79 -4.610 13.627 0.607 1.00 10.00 N ATOM 1275 CA THR A 79 -5.589 14.669 0.803 1.00 10.00 C ATOM 1276 C THR A 79 -6.462 14.778 -0.448 1.00 10.00 C ATOM 1277 O THR A 79 -7.503 15.432 -0.446 1.00 10.00 O ATOM 1278 CB THR A 79 -4.905 16.016 1.132 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.726 16.792 2.017 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.612 16.825 -0.125 1.00 10.00 C ATOM 0 H THR A 79 -4.016 13.769 -0.210 1.00 10.00 H new ATOM 0 HA THR A 79 -6.221 14.416 1.654 1.00 10.00 H new ATOM 0 HB THR A 79 -3.957 15.785 1.618 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.279 17.641 2.217 1.00 10.00 H new ATOM 0 HG21 THR A 79 -4.132 17.764 0.150 1.00 10.00 H new ATOM 0 HG22 THR A 79 -3.950 16.256 -0.778 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.545 17.035 -0.648 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.036 14.087 -1.508 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.715 14.125 -2.804 1.00 10.00 C ATOM 1290 C ILE A 80 -7.736 12.982 -2.930 1.00 10.00 C ATOM 1291 O ILE A 80 -8.300 12.764 -3.997 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.698 13.985 -3.968 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.368 14.689 -3.633 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.286 14.515 -5.273 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.178 16.035 -4.301 1.00 10.00 C ATOM 0 H ILE A 80 -5.212 13.486 -1.492 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.224 15.087 -2.864 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.487 12.924 -4.101 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.305 14.823 -2.553 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.544 14.036 -3.922 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.554 14.406 -6.073 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.184 13.950 -5.523 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.541 15.568 -5.156 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.216 16.455 -4.007 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.204 15.911 -5.384 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -4.977 16.710 -3.994 1.00 10.00 H new ATOM 1307 N PHE A 81 -7.945 12.245 -1.835 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.853 11.082 -1.816 1.00 10.00 C ATOM 1309 C PHE A 81 -10.142 11.285 -2.616 1.00 10.00 C ATOM 1310 O PHE A 81 -10.502 10.423 -3.415 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.218 10.699 -0.380 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.280 9.716 0.287 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.362 8.970 -0.436 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.339 9.529 1.654 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.528 8.066 0.194 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.508 8.627 2.286 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.602 7.895 1.557 1.00 10.00 C ATOM 0 H PHE A 81 -7.495 12.432 -0.939 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.296 10.279 -2.298 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.254 11.607 0.222 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.222 10.275 -0.379 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.298 9.097 -1.507 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.047 10.098 2.238 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.818 7.493 -0.384 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.570 8.496 3.356 1.00 10.00 H new ATOM 0 HZ PHE A 81 -5.951 7.189 2.052 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.828 12.404 -2.404 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.081 12.680 -3.103 1.00 10.00 C ATOM 1329 C LEU A 82 -12.524 14.114 -2.846 1.00 10.00 C ATOM 1330 O LEU A 82 -12.037 14.762 -1.917 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.177 11.718 -2.627 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.719 10.692 -3.651 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.233 10.793 -3.743 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.101 10.853 -5.036 1.00 10.00 C ATOM 0 H LEU A 82 -10.538 13.135 -1.754 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.916 12.540 -4.171 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.792 11.166 -1.769 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.017 12.314 -2.271 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.435 9.704 -3.288 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.603 10.066 -4.466 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.671 10.588 -2.766 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.512 11.797 -4.062 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.520 10.106 -5.710 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.319 11.850 -5.418 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.021 10.718 -4.971 1.00 10.00 H new