USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 901 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 85 TYR OH : rot 15:sc= -0.898 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 163:sc= 0.00316 (180deg=-0.397) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= -3.49! USER MOD Set 2.2: A 63 ASN : amide:sc= -0.255 K(o=-3.7,f=-5.3) USER MOD Single : A 8 GLN : amide:sc= 0.853 K(o=0.85,f=-0.52) USER MOD Single : A 10 SER OG : rot -160:sc= -1.84! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -2.14 (180deg=-2.67) USER MOD Single : A 22 SER OG : rot 77:sc= 1.4 USER MOD Single : A 25 CYS SG : rot -118:sc= -0.41 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -117:sc= 0.863 USER MOD Single : A 37 HIS : no HE2:sc= -6! C(o=-6!,f=-6.6!) USER MOD Single : A 41 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.11!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.03 X(o=0.03,f=-0.0043) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot -160:sc= -0.297 USER MOD Single : A 53 SER OG : rot 135:sc= -0.154 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0782 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0964 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -130:sc= -0.0935 (180deg=-1.1) USER MOD Single : A 104 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-0.097) USER MOD Single : A 122 MET CE :methyl -123:sc= -2.36 (180deg=-7.12!) USER MOD Single : A 124 CYS SG : rot 21:sc= -0.812 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.148 2.890 -19.364 1.00 0.00 N ATOM 59 CA VAL A 4 1.889 4.013 -18.812 1.00 0.00 C ATOM 60 C VAL A 4 1.767 5.249 -19.694 1.00 0.00 C ATOM 61 O VAL A 4 1.844 5.167 -20.920 1.00 0.00 O ATOM 62 CB VAL A 4 3.380 3.670 -18.632 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.555 2.591 -17.574 1.00 0.00 C ATOM 64 CG2 VAL A 4 3.994 3.238 -19.956 1.00 0.00 C ATOM 0 HA VAL A 4 1.451 4.226 -17.837 1.00 0.00 H new ATOM 0 HB VAL A 4 3.902 4.565 -18.294 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.614 2.361 -17.460 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.156 2.945 -16.623 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.020 1.692 -17.879 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.047 3.000 -19.808 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.472 2.357 -20.329 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.903 4.047 -20.680 1.00 0.00 H new ATOM 74 N VAL A 5 1.580 6.392 -19.052 1.00 0.00 N ATOM 75 CA VAL A 5 1.447 7.666 -19.752 1.00 0.00 C ATOM 76 C VAL A 5 2.807 8.336 -19.931 1.00 0.00 C ATOM 77 O VAL A 5 3.709 8.143 -19.116 1.00 0.00 O ATOM 78 CB VAL A 5 0.508 8.627 -19.000 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.911 8.081 -18.980 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.013 8.868 -17.586 1.00 0.00 C ATOM 0 H VAL A 5 1.516 6.466 -18.037 1.00 0.00 H new ATOM 0 HA VAL A 5 1.019 7.447 -20.730 1.00 0.00 H new ATOM 0 HB VAL A 5 0.498 9.582 -19.526 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.560 8.774 -18.444 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.270 7.964 -20.002 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.921 7.113 -18.479 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.337 9.549 -17.069 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.054 7.921 -17.048 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.010 9.307 -17.626 1.00 0.00 H new ATOM 90 N PRO A 6 2.975 9.135 -21.004 1.00 0.00 N ATOM 91 CA PRO A 6 4.227 9.838 -21.292 1.00 0.00 C ATOM 92 C PRO A 6 4.947 10.303 -20.029 1.00 0.00 C ATOM 93 O PRO A 6 6.172 10.226 -19.935 1.00 0.00 O ATOM 94 CB PRO A 6 3.749 11.028 -22.115 1.00 0.00 C ATOM 95 CG PRO A 6 2.576 10.505 -22.877 1.00 0.00 C ATOM 96 CD PRO A 6 1.948 9.425 -22.025 1.00 0.00 C ATOM 0 HA PRO A 6 4.956 9.205 -21.798 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.467 11.865 -21.476 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.530 11.387 -22.785 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.861 11.302 -23.080 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.889 10.104 -23.841 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.018 9.765 -21.570 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.709 8.540 -22.614 1.00 0.00 H new ATOM 104 N ASP A 7 4.174 10.767 -19.053 1.00 0.00 N ATOM 105 CA ASP A 7 4.724 11.221 -17.790 1.00 0.00 C ATOM 106 C ASP A 7 3.844 10.732 -16.647 1.00 0.00 C ATOM 107 O ASP A 7 2.866 11.374 -16.272 1.00 0.00 O ATOM 108 CB ASP A 7 4.839 12.744 -17.770 1.00 0.00 C ATOM 109 CG ASP A 7 5.974 13.251 -18.639 1.00 0.00 C ATOM 110 OD1 ASP A 7 7.110 13.360 -18.129 1.00 0.00 O ATOM 111 OD2 ASP A 7 5.729 13.538 -19.829 1.00 0.00 O ATOM 0 H ASP A 7 3.158 10.837 -19.118 1.00 0.00 H new ATOM 0 HA ASP A 7 5.726 10.809 -17.668 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.901 13.181 -18.112 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.992 13.080 -16.745 1.00 0.00 H new ATOM 116 N GLN A 8 4.202 9.578 -16.110 1.00 0.00 N ATOM 117 CA GLN A 8 3.458 8.975 -15.015 1.00 0.00 C ATOM 118 C GLN A 8 3.465 9.905 -13.819 1.00 0.00 C ATOM 119 O GLN A 8 2.439 10.127 -13.177 1.00 0.00 O ATOM 120 CB GLN A 8 4.067 7.624 -14.640 1.00 0.00 C ATOM 121 CG GLN A 8 3.909 6.564 -15.717 1.00 0.00 C ATOM 122 CD GLN A 8 5.207 6.283 -16.448 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.034 5.498 -15.986 1.00 0.00 O ATOM 124 NE2 GLN A 8 5.391 6.927 -17.594 1.00 0.00 N ATOM 0 H GLN A 8 5.010 9.036 -16.417 1.00 0.00 H new ATOM 0 HA GLN A 8 2.428 8.812 -15.333 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.128 7.759 -14.429 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.602 7.268 -13.721 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.543 5.642 -15.264 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.155 6.888 -16.434 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.677 7.569 -17.939 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.246 6.780 -18.130 1.00 0.00 H new ATOM 133 N ARG A 9 4.630 10.471 -13.548 1.00 0.00 N ATOM 134 CA ARG A 9 4.777 11.408 -12.451 1.00 0.00 C ATOM 135 C ARG A 9 3.991 12.669 -12.751 1.00 0.00 C ATOM 136 O ARG A 9 3.588 13.383 -11.839 1.00 0.00 O ATOM 137 CB ARG A 9 6.250 11.749 -12.224 1.00 0.00 C ATOM 138 CG ARG A 9 6.915 12.398 -13.426 1.00 0.00 C ATOM 139 CD ARG A 9 8.408 12.111 -13.461 1.00 0.00 C ATOM 140 NE ARG A 9 9.186 13.172 -12.826 1.00 0.00 N ATOM 141 CZ ARG A 9 9.428 13.235 -11.517 1.00 0.00 C ATOM 142 NH1 ARG A 9 8.959 12.300 -10.699 1.00 0.00 N ATOM 143 NH2 ARG A 9 10.144 14.237 -11.025 1.00 0.00 N ATOM 0 H ARG A 9 5.486 10.297 -14.074 1.00 0.00 H new ATOM 0 HA ARG A 9 4.390 10.947 -11.542 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.332 12.419 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.790 10.838 -11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.452 12.031 -14.342 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.751 13.475 -13.396 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.607 11.165 -12.957 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.730 11.995 -14.496 1.00 0.00 H new ATOM 0 HE ARG A 9 9.567 13.909 -13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.409 11.526 -11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.149 12.356 -9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.508 14.958 -11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.330 14.287 -10.023 1.00 0.00 H new ATOM 157 N SER A 10 3.765 12.938 -14.033 1.00 0.00 N ATOM 158 CA SER A 10 3.010 14.125 -14.417 1.00 0.00 C ATOM 159 C SER A 10 1.579 14.028 -13.912 1.00 0.00 C ATOM 160 O SER A 10 0.974 15.031 -13.534 1.00 0.00 O ATOM 161 CB SER A 10 3.018 14.324 -15.935 1.00 0.00 C ATOM 162 OG SER A 10 4.179 15.022 -16.353 1.00 0.00 O ATOM 0 H SER A 10 4.087 12.362 -14.811 1.00 0.00 H new ATOM 0 HA SER A 10 3.493 14.989 -13.960 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.974 13.355 -16.432 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.129 14.878 -16.237 1.00 0.00 H new ATOM 0 HG SER A 10 4.025 15.412 -17.239 1.00 0.00 H new ATOM 168 N LYS A 11 1.043 12.814 -13.900 1.00 0.00 N ATOM 169 CA LYS A 11 -0.316 12.596 -13.429 1.00 0.00 C ATOM 170 C LYS A 11 -0.343 12.447 -11.924 1.00 0.00 C ATOM 171 O LYS A 11 -1.184 13.032 -11.251 1.00 0.00 O ATOM 172 CB LYS A 11 -0.934 11.368 -14.099 1.00 0.00 C ATOM 173 CG LYS A 11 -0.640 11.271 -15.587 1.00 0.00 C ATOM 174 CD LYS A 11 -1.441 12.291 -16.382 1.00 0.00 C ATOM 175 CE LYS A 11 -1.222 12.127 -17.876 1.00 0.00 C ATOM 176 NZ LYS A 11 -2.034 13.093 -18.667 1.00 0.00 N ATOM 0 H LYS A 11 1.526 11.971 -14.209 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.911 13.469 -13.700 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.563 10.470 -13.605 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.014 11.389 -13.952 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.425 11.429 -15.759 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.875 10.267 -15.941 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.501 12.181 -16.154 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.153 13.298 -16.079 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.166 12.268 -18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.479 11.110 -18.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.855 12.948 -19.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.044 12.942 -18.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.771 14.064 -18.405 1.00 0.00 H new ATOM 190 N PHE A 12 0.592 11.687 -11.392 1.00 0.00 N ATOM 191 CA PHE A 12 0.671 11.497 -9.969 1.00 0.00 C ATOM 192 C PHE A 12 1.039 12.820 -9.297 1.00 0.00 C ATOM 193 O PHE A 12 0.807 13.007 -8.102 1.00 0.00 O ATOM 194 CB PHE A 12 1.681 10.383 -9.656 1.00 0.00 C ATOM 195 CG PHE A 12 2.404 10.542 -8.354 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.449 11.436 -8.248 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.043 9.793 -7.246 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.127 11.591 -7.052 1.00 0.00 C ATOM 199 CE2 PHE A 12 2.712 9.938 -6.047 1.00 0.00 C ATOM 200 CZ PHE A 12 3.758 10.840 -5.949 1.00 0.00 C ATOM 0 H PHE A 12 1.305 11.193 -11.928 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.295 11.185 -9.572 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.157 9.427 -9.651 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.415 10.340 -10.461 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.741 12.021 -9.108 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.229 9.087 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.942 12.296 -6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.421 9.350 -5.189 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.285 10.957 -5.014 1.00 0.00 H new ATOM 210 N GLU A 13 1.620 13.738 -10.076 1.00 0.00 N ATOM 211 CA GLU A 13 2.024 15.042 -9.546 1.00 0.00 C ATOM 212 C GLU A 13 1.019 16.147 -9.876 1.00 0.00 C ATOM 213 O GLU A 13 0.914 17.133 -9.145 1.00 0.00 O ATOM 214 CB GLU A 13 3.415 15.430 -10.063 1.00 0.00 C ATOM 215 CG GLU A 13 3.415 16.018 -11.467 1.00 0.00 C ATOM 216 CD GLU A 13 3.473 17.533 -11.464 1.00 0.00 C ATOM 217 OE1 GLU A 13 4.583 18.084 -11.305 1.00 0.00 O ATOM 218 OE2 GLU A 13 2.410 18.169 -11.624 1.00 0.00 O ATOM 0 H GLU A 13 1.819 13.603 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 13 2.055 14.941 -8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.857 16.154 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.055 14.547 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.268 15.626 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.517 15.693 -11.993 1.00 0.00 H new ATOM 225 N ASN A 14 0.315 16.008 -10.996 1.00 0.00 N ATOM 226 CA ASN A 14 -0.635 17.033 -11.425 1.00 0.00 C ATOM 227 C ASN A 14 -2.078 16.682 -11.078 1.00 0.00 C ATOM 228 O ASN A 14 -2.889 17.571 -10.819 1.00 0.00 O ATOM 229 CB ASN A 14 -0.509 17.263 -12.931 1.00 0.00 C ATOM 230 CG ASN A 14 -1.042 18.618 -13.354 1.00 0.00 C ATOM 231 OD1 ASN A 14 -0.660 19.650 -12.801 1.00 0.00 O ATOM 232 ND2 ASN A 14 -1.930 18.621 -14.341 1.00 0.00 N ATOM 0 H ASN A 14 0.382 15.203 -11.619 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.385 17.945 -10.883 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.538 17.180 -13.222 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.051 16.480 -13.462 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.324 19.502 -14.670 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.218 17.742 -14.771 1.00 0.00 H new ATOM 239 N GLU A 15 -2.409 15.396 -11.081 1.00 0.00 N ATOM 240 CA GLU A 15 -3.775 14.978 -10.772 1.00 0.00 C ATOM 241 C GLU A 15 -4.139 15.342 -9.332 1.00 0.00 C ATOM 242 O GLU A 15 -3.335 15.171 -8.418 1.00 0.00 O ATOM 243 CB GLU A 15 -3.947 13.480 -11.014 1.00 0.00 C ATOM 244 CG GLU A 15 -4.276 13.139 -12.457 1.00 0.00 C ATOM 245 CD GLU A 15 -5.675 13.569 -12.855 1.00 0.00 C ATOM 246 OE1 GLU A 15 -6.269 14.399 -12.135 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.177 13.075 -13.885 1.00 0.00 O ATOM 0 H GLU A 15 -1.764 14.634 -11.290 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.455 15.510 -11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.031 12.965 -10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.741 13.103 -10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.552 13.620 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.175 12.064 -12.604 1.00 0.00 H new ATOM 254 N GLU A 16 -5.347 15.877 -9.147 1.00 0.00 N ATOM 255 CA GLU A 16 -5.813 16.307 -7.826 1.00 0.00 C ATOM 256 C GLU A 16 -5.992 15.141 -6.855 1.00 0.00 C ATOM 257 O GLU A 16 -5.387 15.132 -5.783 1.00 0.00 O ATOM 258 CB GLU A 16 -7.117 17.107 -7.949 1.00 0.00 C ATOM 259 CG GLU A 16 -8.330 16.271 -8.320 1.00 0.00 C ATOM 260 CD GLU A 16 -9.520 17.119 -8.726 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.307 18.181 -9.349 1.00 0.00 O ATOM 262 OE2 GLU A 16 -10.664 16.720 -8.422 1.00 0.00 O ATOM 0 H GLU A 16 -6.023 16.023 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.036 16.949 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.312 17.609 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.983 17.885 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.069 15.602 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.607 15.644 -7.473 1.00 0.00 H new ATOM 269 N PHE A 17 -6.806 14.154 -7.221 1.00 0.00 N ATOM 270 CA PHE A 17 -7.023 13.002 -6.359 1.00 0.00 C ATOM 271 C PHE A 17 -5.720 12.245 -6.224 1.00 0.00 C ATOM 272 O PHE A 17 -5.367 11.765 -5.149 1.00 0.00 O ATOM 273 CB PHE A 17 -8.147 12.122 -6.937 1.00 0.00 C ATOM 274 CG PHE A 17 -7.959 10.642 -6.747 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.974 9.966 -7.444 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.768 9.933 -5.875 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.796 8.604 -7.276 1.00 0.00 C ATOM 278 CE2 PHE A 17 -8.596 8.572 -5.702 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.610 7.907 -6.403 1.00 0.00 C ATOM 0 H PHE A 17 -7.321 14.131 -8.101 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.340 13.319 -5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.090 12.415 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.236 12.327 -8.004 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.336 10.507 -8.127 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.541 10.448 -5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.023 8.087 -7.825 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.233 8.029 -5.019 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.475 6.844 -6.269 1.00 0.00 H new ATOM 289 N PHE A 18 -5.010 12.159 -7.332 1.00 0.00 N ATOM 290 CA PHE A 18 -3.744 11.487 -7.381 1.00 0.00 C ATOM 291 C PHE A 18 -2.746 12.250 -6.516 1.00 0.00 C ATOM 292 O PHE A 18 -1.784 11.678 -6.015 1.00 0.00 O ATOM 293 CB PHE A 18 -3.314 11.484 -8.833 1.00 0.00 C ATOM 294 CG PHE A 18 -2.588 10.270 -9.277 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.680 9.617 -8.473 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.862 9.779 -10.527 1.00 0.00 C ATOM 297 CE1 PHE A 18 -1.043 8.472 -8.926 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.237 8.644 -10.996 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.325 7.987 -10.195 1.00 0.00 C ATOM 0 H PHE A 18 -5.304 12.558 -8.223 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.803 10.466 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.199 11.606 -9.457 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.678 12.352 -9.008 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.463 9.998 -7.486 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.578 10.289 -11.154 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.331 7.961 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.460 8.271 -11.985 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.832 7.097 -10.556 1.00 0.00 H new ATOM 309 N ARG A 19 -3.007 13.551 -6.332 1.00 0.00 N ATOM 310 CA ARG A 19 -2.154 14.401 -5.511 1.00 0.00 C ATOM 311 C ARG A 19 -2.550 14.279 -4.043 1.00 0.00 C ATOM 312 O ARG A 19 -1.764 13.808 -3.216 1.00 0.00 O ATOM 313 CB ARG A 19 -2.259 15.863 -5.955 1.00 0.00 C ATOM 314 CG ARG A 19 -1.145 16.297 -6.895 1.00 0.00 C ATOM 315 CD ARG A 19 -0.659 17.701 -6.570 1.00 0.00 C ATOM 316 NE ARG A 19 -1.741 18.682 -6.625 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.619 19.944 -6.219 1.00 0.00 C ATOM 318 NH1 ARG A 19 -0.467 20.381 -5.724 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.651 20.771 -6.307 1.00 0.00 N ATOM 0 H ARG A 19 -3.806 14.033 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.122 14.072 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.219 16.016 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.248 16.503 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.313 15.597 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.502 16.263 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.213 17.709 -5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.124 17.985 -7.273 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.642 18.382 -6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.330 19.749 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.379 21.349 -5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.539 20.440 -6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.558 21.738 -5.996 1.00 0.00 H new ATOM 333 N LYS A 20 -3.785 14.681 -3.721 1.00 0.00 N ATOM 334 CA LYS A 20 -4.268 14.584 -2.345 1.00 0.00 C ATOM 335 C LYS A 20 -4.016 13.180 -1.816 1.00 0.00 C ATOM 336 O LYS A 20 -3.818 12.982 -0.617 1.00 0.00 O ATOM 337 CB LYS A 20 -5.754 14.941 -2.240 1.00 0.00 C ATOM 338 CG LYS A 20 -6.630 14.269 -3.281 1.00 0.00 C ATOM 339 CD LYS A 20 -7.656 15.237 -3.856 1.00 0.00 C ATOM 340 CE LYS A 20 -9.067 14.904 -3.396 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.444 13.500 -3.717 1.00 0.00 N ATOM 0 H LYS A 20 -4.456 15.070 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.720 15.305 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.113 14.667 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.864 16.022 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.007 13.878 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.143 13.418 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.406 16.254 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.612 15.208 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.144 15.063 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.773 15.586 -3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.476 13.391 -3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.143 13.272 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.978 12.854 -3.049 1.00 0.00 H new ATOM 355 N LEU A 21 -3.983 12.211 -2.730 1.00 0.00 N ATOM 356 CA LEU A 21 -3.705 10.832 -2.356 1.00 0.00 C ATOM 357 C LEU A 21 -2.197 10.595 -2.387 1.00 0.00 C ATOM 358 O LEU A 21 -1.653 9.915 -1.518 1.00 0.00 O ATOM 359 CB LEU A 21 -4.404 9.848 -3.302 1.00 0.00 C ATOM 360 CG LEU A 21 -5.922 9.705 -3.135 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.369 8.325 -3.589 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.344 9.940 -1.693 1.00 0.00 C ATOM 0 H LEU A 21 -4.144 12.357 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.089 10.663 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.200 10.156 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.951 8.865 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.402 10.462 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.448 8.233 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.110 8.186 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.870 7.565 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.425 9.831 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.854 9.211 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.055 10.946 -1.389 1.00 0.00 H new ATOM 374 N SER A 22 -1.524 11.189 -3.380 1.00 0.00 N ATOM 375 CA SER A 22 -0.068 11.064 -3.508 1.00 0.00 C ATOM 376 C SER A 22 0.639 11.545 -2.242 1.00 0.00 C ATOM 377 O SER A 22 1.835 11.314 -2.066 1.00 0.00 O ATOM 378 CB SER A 22 0.440 11.866 -4.708 1.00 0.00 C ATOM 379 OG SER A 22 1.806 12.220 -4.554 1.00 0.00 O ATOM 0 H SER A 22 -1.963 11.759 -4.104 1.00 0.00 H new ATOM 0 HA SER A 22 0.158 10.008 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.315 11.280 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.160 12.768 -4.825 1.00 0.00 H new ATOM 0 HG SER A 22 2.369 11.441 -4.746 1.00 0.00 H new ATOM 385 N ARG A 23 -0.097 12.231 -1.373 1.00 0.00 N ATOM 386 CA ARG A 23 0.475 12.757 -0.142 1.00 0.00 C ATOM 387 C ARG A 23 0.174 11.843 1.043 1.00 0.00 C ATOM 388 O ARG A 23 -0.266 10.704 0.866 1.00 0.00 O ATOM 389 CB ARG A 23 -0.077 14.159 0.125 1.00 0.00 C ATOM 390 CG ARG A 23 -0.182 15.017 -1.128 1.00 0.00 C ATOM 391 CD ARG A 23 0.950 16.027 -1.207 1.00 0.00 C ATOM 392 NE ARG A 23 2.260 15.381 -1.242 1.00 0.00 N ATOM 393 CZ ARG A 23 2.803 14.861 -2.341 1.00 0.00 C ATOM 394 NH1 ARG A 23 2.152 14.906 -3.496 1.00 0.00 N ATOM 395 NH2 ARG A 23 4.000 14.294 -2.283 1.00 0.00 N ATOM 0 H ARG A 23 -1.088 12.434 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 23 1.557 12.807 -0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.063 14.072 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.565 14.662 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.163 14.378 -2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.139 15.540 -1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.825 16.642 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.899 16.696 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 23 2.790 15.325 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.231 15.341 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.573 14.506 -4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.504 14.256 -1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.417 13.895 -3.124 1.00 0.00 H new ATOM 409 N GLU A 24 0.440 12.342 2.247 1.00 0.00 N ATOM 410 CA GLU A 24 0.221 11.568 3.467 1.00 0.00 C ATOM 411 C GLU A 24 -0.911 12.154 4.305 1.00 0.00 C ATOM 412 O GLU A 24 -0.989 13.367 4.502 1.00 0.00 O ATOM 413 CB GLU A 24 1.503 11.517 4.309 1.00 0.00 C ATOM 414 CG GLU A 24 2.786 11.636 3.497 1.00 0.00 C ATOM 415 CD GLU A 24 4.005 11.874 4.367 1.00 0.00 C ATOM 416 OE1 GLU A 24 4.068 12.932 5.026 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.897 11.000 4.389 1.00 0.00 O ATOM 0 H GLU A 24 0.808 13.280 2.405 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.058 10.558 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.475 12.322 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.523 10.579 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.930 10.725 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.687 12.455 2.785 1.00 0.00 H new ATOM 424 N CYS A 25 -1.783 11.280 4.805 1.00 0.00 N ATOM 425 CA CYS A 25 -2.904 11.708 5.632 1.00 0.00 C ATOM 426 C CYS A 25 -3.295 10.626 6.632 1.00 0.00 C ATOM 427 O CYS A 25 -2.535 9.689 6.880 1.00 0.00 O ATOM 428 CB CYS A 25 -4.102 12.089 4.755 1.00 0.00 C ATOM 429 SG CYS A 25 -5.027 10.680 4.100 1.00 0.00 S ATOM 0 H CYS A 25 -1.733 10.273 4.651 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.591 12.587 6.195 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.779 12.713 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.748 12.695 3.921 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.975 10.693 2.801 1.00 0.00 H new ATOM 435 N GLU A 26 -4.483 10.769 7.209 1.00 0.00 N ATOM 436 CA GLU A 26 -4.974 9.811 8.188 1.00 0.00 C ATOM 437 C GLU A 26 -5.764 8.689 7.524 1.00 0.00 C ATOM 438 O GLU A 26 -6.690 8.934 6.749 1.00 0.00 O ATOM 439 CB GLU A 26 -5.850 10.517 9.224 1.00 0.00 C ATOM 440 CG GLU A 26 -7.041 11.246 8.620 1.00 0.00 C ATOM 441 CD GLU A 26 -7.184 12.663 9.140 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.817 12.844 10.202 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.664 13.591 8.486 1.00 0.00 O ATOM 0 H GLU A 26 -5.122 11.540 7.015 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.109 9.370 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.211 9.782 9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.240 11.231 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.935 11.270 7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.952 10.689 8.839 1.00 0.00 H new ATOM 450 N ILE A 27 -5.399 7.458 7.849 1.00 0.00 N ATOM 451 CA ILE A 27 -6.081 6.288 7.304 1.00 0.00 C ATOM 452 C ILE A 27 -6.758 5.497 8.419 1.00 0.00 C ATOM 453 O ILE A 27 -6.511 5.740 9.600 1.00 0.00 O ATOM 454 CB ILE A 27 -5.121 5.362 6.532 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.008 4.852 7.450 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.536 6.089 5.331 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.044 3.911 6.761 1.00 0.00 C ATOM 0 H ILE A 27 -4.634 7.241 8.488 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.831 6.657 6.604 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.685 4.501 6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.454 5.704 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.456 4.341 8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.860 5.422 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.342 6.399 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.986 6.967 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.281 3.588 7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.587 3.041 6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.569 4.425 5.925 1.00 0.00 H new ATOM 469 N LYS A 28 -7.617 4.556 8.042 1.00 0.00 N ATOM 470 CA LYS A 28 -8.330 3.741 9.025 1.00 0.00 C ATOM 471 C LYS A 28 -8.758 2.404 8.432 1.00 0.00 C ATOM 472 O LYS A 28 -8.777 2.234 7.216 1.00 0.00 O ATOM 473 CB LYS A 28 -9.555 4.494 9.546 1.00 0.00 C ATOM 474 CG LYS A 28 -10.551 4.859 8.457 1.00 0.00 C ATOM 475 CD LYS A 28 -11.776 5.549 9.031 1.00 0.00 C ATOM 476 CE LYS A 28 -12.442 6.451 8.004 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.504 7.299 8.614 1.00 0.00 N ATOM 0 H LYS A 28 -7.837 4.338 7.070 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.648 3.543 9.852 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.056 3.882 10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.226 5.405 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.072 5.513 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.856 3.958 7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.489 4.800 9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.488 6.138 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.690 7.089 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.875 5.841 7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.933 7.899 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.235 6.691 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.086 7.900 9.353 1.00 0.00 H new ATOM 491 N TYR A 29 -9.098 1.453 9.300 1.00 0.00 N ATOM 492 CA TYR A 29 -9.521 0.129 8.853 1.00 0.00 C ATOM 493 C TYR A 29 -11.011 0.096 8.529 1.00 0.00 C ATOM 494 O TYR A 29 -11.851 0.404 9.375 1.00 0.00 O ATOM 495 CB TYR A 29 -9.202 -0.921 9.917 1.00 0.00 C ATOM 496 CG TYR A 29 -8.770 -2.248 9.339 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.819 -2.309 8.331 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.315 -3.439 9.802 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.421 -3.519 7.797 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.922 -4.654 9.273 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.977 -4.687 8.272 1.00 0.00 C ATOM 502 OH TYR A 29 -7.580 -5.895 7.747 1.00 0.00 O ATOM 0 H TYR A 29 -9.089 1.574 10.313 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.969 -0.100 7.942 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.413 -0.542 10.566 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.082 -1.074 10.541 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.382 -1.395 7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.057 -3.415 10.587 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.679 -3.550 7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.354 -5.572 9.643 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.343 -6.330 7.313 1.00 0.00 H new ATOM 512 N THR A 30 -11.331 -0.292 7.297 1.00 0.00 N ATOM 513 CA THR A 30 -12.720 -0.381 6.855 1.00 0.00 C ATOM 514 C THR A 30 -12.868 -1.405 5.732 1.00 0.00 C ATOM 515 O THR A 30 -13.805 -1.335 4.936 1.00 0.00 O ATOM 516 CB THR A 30 -13.230 0.986 6.382 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.848 1.235 5.038 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.732 2.142 7.224 1.00 0.00 C ATOM 0 H THR A 30 -10.646 -0.550 6.586 1.00 0.00 H new ATOM 0 HA THR A 30 -13.319 -0.704 7.706 1.00 0.00 H new ATOM 0 HB THR A 30 -14.314 0.931 6.478 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.186 2.111 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.132 3.077 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.062 2.010 8.254 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.643 2.172 7.193 1.00 0.00 H new ATOM 526 N GLY A 31 -11.938 -2.356 5.672 1.00 0.00 N ATOM 527 CA GLY A 31 -11.988 -3.378 4.642 1.00 0.00 C ATOM 528 C GLY A 31 -13.023 -4.444 4.941 1.00 0.00 C ATOM 529 O GLY A 31 -13.988 -4.609 4.195 1.00 0.00 O ATOM 0 H GLY A 31 -11.152 -2.436 6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.215 -2.913 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.007 -3.843 4.547 1.00 0.00 H new ATOM 533 N PHE A 32 -12.825 -5.164 6.040 1.00 0.00 N ATOM 534 CA PHE A 32 -13.753 -6.216 6.445 1.00 0.00 C ATOM 535 C PHE A 32 -14.137 -6.063 7.915 1.00 0.00 C ATOM 536 O PHE A 32 -14.858 -6.892 8.468 1.00 0.00 O ATOM 537 CB PHE A 32 -13.143 -7.605 6.207 1.00 0.00 C ATOM 538 CG PHE A 32 -11.635 -7.633 6.213 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.920 -7.278 5.081 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.936 -8.023 7.347 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.537 -7.311 5.077 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.551 -8.057 7.350 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.853 -7.701 6.214 1.00 0.00 C ATOM 0 H PHE A 32 -12.030 -5.039 6.667 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.651 -6.120 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.510 -8.286 6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.497 -7.985 5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.449 -6.972 4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.478 -8.303 8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.992 -7.033 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.019 -8.361 8.239 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.773 -7.727 6.213 1.00 0.00 H new ATOM 553 N ARG A 33 -13.639 -4.998 8.539 1.00 0.00 N ATOM 554 CA ARG A 33 -13.900 -4.721 9.945 1.00 0.00 C ATOM 555 C ARG A 33 -15.318 -4.234 10.182 1.00 0.00 C ATOM 556 O ARG A 33 -15.765 -4.127 11.324 1.00 0.00 O ATOM 557 CB ARG A 33 -12.902 -3.686 10.444 1.00 0.00 C ATOM 558 CG ARG A 33 -13.074 -2.313 9.811 1.00 0.00 C ATOM 559 CD ARG A 33 -14.204 -1.529 10.462 1.00 0.00 C ATOM 560 NE ARG A 33 -13.749 -0.245 10.990 1.00 0.00 N ATOM 561 CZ ARG A 33 -14.564 0.766 11.283 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.872 0.648 11.098 1.00 0.00 N ATOM 563 NH2 ARG A 33 -14.068 1.899 11.760 1.00 0.00 N ATOM 0 H ARG A 33 -13.045 -4.306 8.083 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.786 -5.653 10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.000 -3.592 11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.892 -4.044 10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.144 -1.752 9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.277 -2.426 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.995 -1.360 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.636 -2.120 11.270 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.749 -0.116 11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.259 -0.221 10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.491 1.426 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.063 1.996 11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.692 2.674 11.985 1.00 0.00 H new ATOM 577 N ASP A 34 -16.019 -3.936 9.106 1.00 0.00 N ATOM 578 CA ASP A 34 -17.392 -3.451 9.196 1.00 0.00 C ATOM 579 C ASP A 34 -18.262 -4.358 10.072 1.00 0.00 C ATOM 580 O ASP A 34 -19.384 -3.991 10.420 1.00 0.00 O ATOM 581 CB ASP A 34 -18.004 -3.340 7.798 1.00 0.00 C ATOM 582 CG ASP A 34 -19.098 -2.293 7.728 1.00 0.00 C ATOM 583 OD1 ASP A 34 -20.044 -2.368 8.540 1.00 0.00 O ATOM 584 OD2 ASP A 34 -19.009 -1.399 6.861 1.00 0.00 O ATOM 0 H ASP A 34 -15.663 -4.020 8.154 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.361 -2.466 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.222 -3.093 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.411 -4.308 7.505 1.00 0.00 H new ATOM 589 N ARG A 35 -17.752 -5.540 10.436 1.00 0.00 N ATOM 590 CA ARG A 35 -18.512 -6.459 11.275 1.00 0.00 C ATOM 591 C ARG A 35 -17.713 -6.890 12.516 1.00 0.00 C ATOM 592 O ARG A 35 -18.072 -6.513 13.631 1.00 0.00 O ATOM 593 CB ARG A 35 -18.998 -7.676 10.469 1.00 0.00 C ATOM 594 CG ARG A 35 -19.073 -7.439 8.962 1.00 0.00 C ATOM 595 CD ARG A 35 -17.694 -7.318 8.321 1.00 0.00 C ATOM 596 NE ARG A 35 -17.404 -8.444 7.433 1.00 0.00 N ATOM 597 CZ ARG A 35 -16.958 -8.318 6.183 1.00 0.00 C ATOM 598 NH1 ARG A 35 -16.738 -7.117 5.660 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.727 -9.400 5.452 1.00 0.00 N ATOM 0 H ARG A 35 -16.828 -5.875 10.164 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.392 -5.923 11.630 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.329 -8.515 10.661 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.985 -7.966 10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.617 -8.260 8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.641 -6.529 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.636 -6.387 7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.934 -7.266 9.101 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.553 -9.386 7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.910 -6.279 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.397 -7.032 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.891 -10.326 5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.386 -9.306 4.495 1.00 0.00 H new ATOM 613 N PRO A 36 -16.625 -7.683 12.368 1.00 0.00 N ATOM 614 CA PRO A 36 -15.822 -8.135 13.493 1.00 0.00 C ATOM 615 C PRO A 36 -14.530 -7.332 13.645 1.00 0.00 C ATOM 616 O PRO A 36 -13.435 -7.895 13.641 1.00 0.00 O ATOM 617 CB PRO A 36 -15.511 -9.562 13.069 1.00 0.00 C ATOM 618 CG PRO A 36 -15.337 -9.474 11.582 1.00 0.00 C ATOM 619 CD PRO A 36 -16.070 -8.226 11.119 1.00 0.00 C ATOM 0 HA PRO A 36 -16.324 -8.032 14.455 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.609 -9.934 13.554 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.320 -10.242 13.336 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.280 -9.419 11.321 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.741 -10.361 11.094 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.396 -7.518 10.636 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.853 -8.462 10.399 1.00 0.00 H new ATOM 627 N HIS A 37 -14.664 -6.015 13.766 1.00 0.00 N ATOM 628 CA HIS A 37 -13.509 -5.128 13.903 1.00 0.00 C ATOM 629 C HIS A 37 -12.479 -5.672 14.898 1.00 0.00 C ATOM 630 O HIS A 37 -11.323 -5.908 14.542 1.00 0.00 O ATOM 631 CB HIS A 37 -13.966 -3.734 14.337 1.00 0.00 C ATOM 632 CG HIS A 37 -12.855 -2.732 14.390 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.130 -2.476 15.534 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.343 -1.920 13.432 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.221 -1.553 15.280 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.330 -1.199 14.013 1.00 0.00 N ATOM 0 H HIS A 37 -15.564 -5.535 13.772 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.026 -5.070 12.928 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.732 -3.380 13.647 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.431 -3.802 15.321 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.274 -2.929 16.436 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.671 -1.853 12.405 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.509 -1.155 15.988 1.00 0.00 H new ATOM 645 N GLU A 38 -12.901 -5.858 16.145 1.00 0.00 N ATOM 646 CA GLU A 38 -12.012 -6.360 17.193 1.00 0.00 C ATOM 647 C GLU A 38 -11.263 -7.610 16.744 1.00 0.00 C ATOM 648 O GLU A 38 -10.146 -7.867 17.194 1.00 0.00 O ATOM 649 CB GLU A 38 -12.802 -6.652 18.469 1.00 0.00 C ATOM 650 CG GLU A 38 -13.227 -5.402 19.221 1.00 0.00 C ATOM 651 CD GLU A 38 -13.121 -5.562 20.725 1.00 0.00 C ATOM 652 OE1 GLU A 38 -13.133 -6.717 21.201 1.00 0.00 O ATOM 653 OE2 GLU A 38 -13.026 -4.533 21.426 1.00 0.00 O ATOM 0 H GLU A 38 -13.854 -5.669 16.457 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.275 -5.583 17.398 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.689 -7.231 18.213 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.195 -7.273 19.128 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.607 -4.563 18.904 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.256 -5.156 18.957 1.00 0.00 H new ATOM 660 N GLU A 39 -11.862 -8.368 15.836 1.00 0.00 N ATOM 661 CA GLU A 39 -11.221 -9.564 15.310 1.00 0.00 C ATOM 662 C GLU A 39 -10.319 -9.155 14.172 1.00 0.00 C ATOM 663 O GLU A 39 -9.209 -9.660 14.011 1.00 0.00 O ATOM 664 CB GLU A 39 -12.257 -10.576 14.824 1.00 0.00 C ATOM 665 CG GLU A 39 -11.668 -11.937 14.489 1.00 0.00 C ATOM 666 CD GLU A 39 -12.450 -13.080 15.106 1.00 0.00 C ATOM 667 OE1 GLU A 39 -12.587 -13.104 16.348 1.00 0.00 O ATOM 668 OE2 GLU A 39 -12.926 -13.951 14.348 1.00 0.00 O ATOM 0 H GLU A 39 -12.787 -8.177 15.450 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.642 -10.042 16.100 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.021 -10.699 15.592 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.755 -10.177 13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.644 -12.061 13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.636 -11.978 14.838 1.00 0.00 H new ATOM 675 N ARG A 40 -10.817 -8.200 13.399 1.00 0.00 N ATOM 676 CA ARG A 40 -10.091 -7.657 12.276 1.00 0.00 C ATOM 677 C ARG A 40 -8.715 -7.180 12.715 1.00 0.00 C ATOM 678 O ARG A 40 -7.787 -7.113 11.911 1.00 0.00 O ATOM 679 CB ARG A 40 -10.888 -6.513 11.667 1.00 0.00 C ATOM 680 CG ARG A 40 -11.473 -6.856 10.311 1.00 0.00 C ATOM 681 CD ARG A 40 -12.646 -7.815 10.442 1.00 0.00 C ATOM 682 NE ARG A 40 -12.296 -9.168 10.020 1.00 0.00 N ATOM 683 CZ ARG A 40 -13.086 -9.953 9.285 1.00 0.00 C ATOM 684 NH1 ARG A 40 -14.285 -9.534 8.898 1.00 0.00 N ATOM 685 NH2 ARG A 40 -12.674 -11.165 8.939 1.00 0.00 N ATOM 0 H ARG A 40 -11.738 -7.784 13.539 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.953 -8.434 11.524 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.695 -6.238 12.346 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.243 -5.640 11.568 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.800 -5.944 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.703 -7.304 9.683 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.984 -7.834 11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.480 -7.452 9.841 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.389 -9.537 10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.610 -8.604 9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.881 -10.142 8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.755 -11.495 9.235 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.276 -11.767 8.377 1.00 0.00 H new ATOM 699 N GLN A 41 -8.583 -6.869 14.004 1.00 0.00 N ATOM 700 CA GLN A 41 -7.300 -6.426 14.536 1.00 0.00 C ATOM 701 C GLN A 41 -6.261 -7.511 14.287 1.00 0.00 C ATOM 702 O GLN A 41 -5.142 -7.240 13.843 1.00 0.00 O ATOM 703 CB GLN A 41 -7.410 -6.105 16.033 1.00 0.00 C ATOM 704 CG GLN A 41 -7.305 -7.321 16.943 1.00 0.00 C ATOM 705 CD GLN A 41 -7.583 -6.987 18.395 1.00 0.00 C ATOM 706 OE1 GLN A 41 -8.694 -6.595 18.752 1.00 0.00 O ATOM 707 NE2 GLN A 41 -6.572 -7.141 19.244 1.00 0.00 N ATOM 0 H GLN A 41 -9.338 -6.915 14.688 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.995 -5.511 14.029 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.625 -5.397 16.300 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.363 -5.609 16.217 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.009 -8.083 16.608 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.306 -7.750 16.857 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.667 -7.468 18.906 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.701 -6.932 20.234 1.00 0.00 H new ATOM 716 N THR A 42 -6.664 -8.750 14.546 1.00 0.00 N ATOM 717 CA THR A 42 -5.802 -9.898 14.328 1.00 0.00 C ATOM 718 C THR A 42 -5.854 -10.305 12.866 1.00 0.00 C ATOM 719 O THR A 42 -4.865 -10.778 12.312 1.00 0.00 O ATOM 720 CB THR A 42 -6.224 -11.066 15.220 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.303 -10.658 16.575 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.277 -12.245 15.151 1.00 0.00 C ATOM 0 H THR A 42 -7.588 -8.982 14.909 1.00 0.00 H new ATOM 0 HA THR A 42 -4.779 -9.625 14.587 1.00 0.00 H new ATOM 0 HB THR A 42 -7.198 -11.380 14.844 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.576 -11.418 17.130 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.635 -13.038 15.807 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.230 -12.615 14.127 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.283 -11.932 15.469 1.00 0.00 H new ATOM 730 N ARG A 43 -7.009 -10.097 12.232 1.00 0.00 N ATOM 731 CA ARG A 43 -7.146 -10.432 10.818 1.00 0.00 C ATOM 732 C ARG A 43 -6.224 -9.551 9.995 1.00 0.00 C ATOM 733 O ARG A 43 -5.653 -9.992 8.998 1.00 0.00 O ATOM 734 CB ARG A 43 -8.587 -10.262 10.337 1.00 0.00 C ATOM 735 CG ARG A 43 -9.602 -11.067 11.128 1.00 0.00 C ATOM 736 CD ARG A 43 -9.297 -12.557 11.095 1.00 0.00 C ATOM 737 NE ARG A 43 -10.010 -13.234 10.013 1.00 0.00 N ATOM 738 CZ ARG A 43 -10.397 -14.507 10.057 1.00 0.00 C ATOM 739 NH1 ARG A 43 -10.131 -15.257 11.120 1.00 0.00 N ATOM 740 NH2 ARG A 43 -11.051 -15.034 9.031 1.00 0.00 N ATOM 0 H ARG A 43 -7.846 -9.706 12.666 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.872 -11.479 10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.855 -9.207 10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.646 -10.553 9.288 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.613 -10.722 12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.599 -10.892 10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.224 -12.706 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.574 -13.006 12.049 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.224 -12.698 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.626 -14.859 11.912 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.432 -16.231 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.257 -14.464 8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.348 -16.009 9.062 1.00 0.00 H new ATOM 754 N PHE A 44 -6.068 -8.304 10.432 1.00 0.00 N ATOM 755 CA PHE A 44 -5.202 -7.365 9.752 1.00 0.00 C ATOM 756 C PHE A 44 -3.744 -7.761 9.980 1.00 0.00 C ATOM 757 O PHE A 44 -2.990 -7.976 9.031 1.00 0.00 O ATOM 758 CB PHE A 44 -5.467 -5.945 10.261 1.00 0.00 C ATOM 759 CG PHE A 44 -4.230 -5.116 10.407 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.625 -4.552 9.299 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.669 -4.918 11.652 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.479 -3.799 9.430 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.520 -4.163 11.796 1.00 0.00 C ATOM 764 CZ PHE A 44 -1.923 -3.601 10.682 1.00 0.00 C ATOM 0 H PHE A 44 -6.535 -7.927 11.257 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.408 -7.386 8.682 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.150 -5.444 9.575 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.971 -6.003 11.226 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.056 -4.703 8.320 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.132 -5.357 12.523 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.015 -3.364 8.557 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.090 -4.012 12.775 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.026 -3.009 10.789 1.00 0.00 H new ATOM 774 N GLN A 45 -3.364 -7.873 11.254 1.00 0.00 N ATOM 775 CA GLN A 45 -2.005 -8.266 11.615 1.00 0.00 C ATOM 776 C GLN A 45 -1.686 -9.645 11.048 1.00 0.00 C ATOM 777 O GLN A 45 -0.536 -9.955 10.737 1.00 0.00 O ATOM 778 CB GLN A 45 -1.839 -8.271 13.137 1.00 0.00 C ATOM 779 CG GLN A 45 -0.582 -7.559 13.614 1.00 0.00 C ATOM 780 CD GLN A 45 0.359 -8.477 14.369 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.696 -8.225 15.526 1.00 0.00 O ATOM 782 NE2 GLN A 45 0.789 -9.551 13.717 1.00 0.00 N ATOM 0 H GLN A 45 -3.978 -7.697 12.049 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.310 -7.542 11.190 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.709 -7.797 13.591 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.818 -9.303 13.489 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.060 -7.137 12.755 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.863 -6.725 14.257 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.484 -9.722 12.759 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.424 -10.205 14.175 1.00 0.00 H new ATOM 791 N ASN A 46 -2.727 -10.458 10.893 1.00 0.00 N ATOM 792 CA ASN A 46 -2.587 -11.799 10.336 1.00 0.00 C ATOM 793 C ASN A 46 -2.509 -11.710 8.820 1.00 0.00 C ATOM 794 O ASN A 46 -1.951 -12.584 8.157 1.00 0.00 O ATOM 795 CB ASN A 46 -3.763 -12.684 10.752 1.00 0.00 C ATOM 796 CG ASN A 46 -3.623 -14.106 10.247 1.00 0.00 C ATOM 797 OD1 ASN A 46 -4.297 -14.510 9.299 1.00 0.00 O ATOM 798 ND2 ASN A 46 -2.742 -14.874 10.878 1.00 0.00 N ATOM 0 H ASN A 46 -3.683 -10.209 11.147 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.672 -12.248 10.722 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.840 -12.693 11.839 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.690 -12.255 10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.603 -15.840 10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.205 -14.498 11.659 1.00 0.00 H new ATOM 805 N ALA A 47 -3.045 -10.620 8.283 1.00 0.00 N ATOM 806 CA ALA A 47 -3.008 -10.372 6.858 1.00 0.00 C ATOM 807 C ALA A 47 -1.599 -9.962 6.478 1.00 0.00 C ATOM 808 O ALA A 47 -1.133 -10.225 5.370 1.00 0.00 O ATOM 809 CB ALA A 47 -4.013 -9.296 6.471 1.00 0.00 C ATOM 0 H ALA A 47 -3.513 -9.892 8.823 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.282 -11.278 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.968 -9.126 5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.017 -9.620 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.775 -8.370 6.995 1.00 0.00 H new ATOM 815 N CYS A 48 -0.908 -9.350 7.439 1.00 0.00 N ATOM 816 CA CYS A 48 0.474 -8.944 7.233 1.00 0.00 C ATOM 817 C CYS A 48 1.340 -10.186 7.119 1.00 0.00 C ATOM 818 O CYS A 48 2.433 -10.149 6.555 1.00 0.00 O ATOM 819 CB CYS A 48 0.957 -8.061 8.387 1.00 0.00 C ATOM 820 SG CYS A 48 2.052 -6.715 7.877 1.00 0.00 S ATOM 0 H CYS A 48 -1.283 -9.127 8.361 1.00 0.00 H new ATOM 0 HA CYS A 48 0.546 -8.361 6.315 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.090 -7.638 8.894 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.478 -8.684 9.114 1.00 0.00 H new ATOM 0 HG CYS A 48 2.732 -6.296 8.903 1.00 0.00 H new ATOM 826 N ARG A 49 0.824 -11.300 7.638 1.00 0.00 N ATOM 827 CA ARG A 49 1.535 -12.567 7.565 1.00 0.00 C ATOM 828 C ARG A 49 1.464 -13.107 6.136 1.00 0.00 C ATOM 829 O ARG A 49 2.283 -13.930 5.728 1.00 0.00 O ATOM 830 CB ARG A 49 0.947 -13.568 8.573 1.00 0.00 C ATOM 831 CG ARG A 49 0.781 -14.984 8.038 1.00 0.00 C ATOM 832 CD ARG A 49 0.165 -15.902 9.081 1.00 0.00 C ATOM 833 NE ARG A 49 0.559 -17.296 8.887 1.00 0.00 N ATOM 834 CZ ARG A 49 1.808 -17.737 9.015 1.00 0.00 C ATOM 835 NH1 ARG A 49 2.788 -16.899 9.333 1.00 0.00 N ATOM 836 NH2 ARG A 49 2.080 -19.022 8.824 1.00 0.00 N ATOM 0 H ARG A 49 -0.079 -11.347 8.110 1.00 0.00 H new ATOM 0 HA ARG A 49 2.582 -12.415 7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.591 -13.599 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.025 -13.202 8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.151 -14.967 7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.752 -15.376 7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.468 -15.575 10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.921 -15.823 9.037 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.165 -17.970 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.586 -15.910 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.743 -17.244 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.332 -19.671 8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.037 -19.361 8.922 1.00 0.00 H new ATOM 850 N ASP A 50 0.482 -12.618 5.380 1.00 0.00 N ATOM 851 CA ASP A 50 0.299 -13.023 3.993 1.00 0.00 C ATOM 852 C ASP A 50 0.655 -11.876 3.046 1.00 0.00 C ATOM 853 O ASP A 50 0.361 -11.932 1.853 1.00 0.00 O ATOM 854 CB ASP A 50 -1.145 -13.468 3.755 1.00 0.00 C ATOM 855 CG ASP A 50 -1.525 -14.673 4.594 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.798 -15.687 4.539 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.548 -14.601 5.306 1.00 0.00 O ATOM 0 H ASP A 50 -0.201 -11.937 5.710 1.00 0.00 H new ATOM 0 HA ASP A 50 0.965 -13.862 3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.819 -12.642 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.280 -13.706 2.700 1.00 0.00 H new ATOM 862 N GLY A 51 1.300 -10.841 3.585 1.00 0.00 N ATOM 863 CA GLY A 51 1.696 -9.699 2.779 1.00 0.00 C ATOM 864 C GLY A 51 0.538 -9.048 2.052 1.00 0.00 C ATOM 865 O GLY A 51 0.707 -8.534 0.950 1.00 0.00 O ATOM 0 H GLY A 51 1.555 -10.775 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.175 -8.959 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.440 -10.019 2.050 1.00 0.00 H new ATOM 869 N ARG A 52 -0.638 -9.066 2.666 1.00 0.00 N ATOM 870 CA ARG A 52 -1.819 -8.466 2.064 1.00 0.00 C ATOM 871 C ARG A 52 -2.789 -7.950 3.113 1.00 0.00 C ATOM 872 O ARG A 52 -3.185 -8.676 4.022 1.00 0.00 O ATOM 873 CB ARG A 52 -2.525 -9.475 1.174 1.00 0.00 C ATOM 874 CG ARG A 52 -1.916 -9.550 -0.204 1.00 0.00 C ATOM 875 CD ARG A 52 -1.463 -10.960 -0.541 1.00 0.00 C ATOM 876 NE ARG A 52 -2.522 -11.739 -1.181 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.285 -12.629 -0.547 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.118 -12.863 0.750 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.222 -13.287 -1.215 1.00 0.00 N ATOM 0 H ARG A 52 -0.798 -9.490 3.580 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.483 -7.618 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.484 -10.459 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.578 -9.207 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.644 -9.215 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.066 -8.870 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.597 -10.914 -1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.142 -11.465 0.370 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.687 -11.592 -2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.400 -12.359 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.708 -13.546 1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.357 -13.111 -2.211 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.808 -13.969 -0.733 1.00 0.00 H new ATOM 893 N SER A 53 -3.180 -6.696 2.959 1.00 0.00 N ATOM 894 CA SER A 53 -4.127 -6.069 3.875 1.00 0.00 C ATOM 895 C SER A 53 -5.049 -5.104 3.133 1.00 0.00 C ATOM 896 O SER A 53 -4.789 -4.728 1.986 1.00 0.00 O ATOM 897 CB SER A 53 -3.401 -5.344 5.009 1.00 0.00 C ATOM 898 OG SER A 53 -3.994 -5.635 6.262 1.00 0.00 O ATOM 0 H SER A 53 -2.857 -6.088 2.207 1.00 0.00 H new ATOM 0 HA SER A 53 -4.736 -6.861 4.311 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.352 -5.641 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.426 -4.269 4.832 1.00 0.00 H new ATOM 0 HG SER A 53 -3.293 -5.831 6.918 1.00 0.00 H new ATOM 904 N GLU A 54 -6.119 -4.701 3.804 1.00 0.00 N ATOM 905 CA GLU A 54 -7.084 -3.771 3.233 1.00 0.00 C ATOM 906 C GLU A 54 -7.207 -2.542 4.123 1.00 0.00 C ATOM 907 O GLU A 54 -7.736 -2.618 5.232 1.00 0.00 O ATOM 908 CB GLU A 54 -8.448 -4.446 3.076 1.00 0.00 C ATOM 909 CG GLU A 54 -9.468 -3.593 2.340 1.00 0.00 C ATOM 910 CD GLU A 54 -10.508 -4.424 1.615 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.692 -5.602 1.987 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.140 -3.897 0.675 1.00 0.00 O ATOM 0 H GLU A 54 -6.342 -5.006 4.751 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.734 -3.464 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.319 -5.386 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.838 -4.693 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.966 -2.934 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.952 -2.955 1.622 1.00 0.00 H new ATOM 919 N ILE A 55 -6.696 -1.414 3.644 1.00 0.00 N ATOM 920 CA ILE A 55 -6.735 -0.179 4.415 1.00 0.00 C ATOM 921 C ILE A 55 -7.684 0.845 3.804 1.00 0.00 C ATOM 922 O ILE A 55 -7.837 0.924 2.586 1.00 0.00 O ATOM 923 CB ILE A 55 -5.334 0.454 4.538 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.259 -0.631 4.647 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.278 1.384 5.740 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.478 -1.583 5.802 1.00 0.00 C ATOM 0 H ILE A 55 -6.252 -1.330 2.730 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.099 -0.452 5.406 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.139 1.038 3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.233 -1.200 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.284 -0.156 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.283 1.823 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.017 2.177 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.494 0.820 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.679 -2.325 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.475 -1.026 6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.438 -2.086 5.682 1.00 0.00 H new ATOM 938 N ALA A 56 -8.308 1.634 4.671 1.00 0.00 N ATOM 939 CA ALA A 56 -9.238 2.672 4.247 1.00 0.00 C ATOM 940 C ALA A 56 -8.569 4.040 4.289 1.00 0.00 C ATOM 941 O ALA A 56 -7.614 4.250 5.036 1.00 0.00 O ATOM 942 CB ALA A 56 -10.480 2.661 5.123 1.00 0.00 C ATOM 0 H ALA A 56 -8.184 1.573 5.682 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.537 2.467 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.165 3.442 4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.971 1.691 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.196 2.842 6.160 1.00 0.00 H new ATOM 948 N PHE A 57 -9.064 4.962 3.475 1.00 0.00 N ATOM 949 CA PHE A 57 -8.499 6.303 3.414 1.00 0.00 C ATOM 950 C PHE A 57 -9.489 7.308 4.010 1.00 0.00 C ATOM 951 O PHE A 57 -10.637 7.382 3.574 1.00 0.00 O ATOM 952 CB PHE A 57 -8.200 6.648 1.955 1.00 0.00 C ATOM 953 CG PHE A 57 -7.012 7.542 1.759 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.732 7.018 1.846 1.00 0.00 C ATOM 955 CD2 PHE A 57 -7.165 8.885 1.465 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.626 7.818 1.647 1.00 0.00 C ATOM 957 CE2 PHE A 57 -6.061 9.691 1.261 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.789 9.156 1.353 1.00 0.00 C ATOM 0 H PHE A 57 -9.854 4.807 2.849 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.575 6.346 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.038 5.723 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.077 7.129 1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.599 5.970 2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.156 9.308 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.634 7.398 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.192 10.738 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.925 9.784 1.195 1.00 0.00 H new ATOM 968 N VAL A 58 -9.055 8.066 5.016 1.00 0.00 N ATOM 969 CA VAL A 58 -9.933 9.039 5.666 1.00 0.00 C ATOM 970 C VAL A 58 -10.113 10.307 4.834 1.00 0.00 C ATOM 971 O VAL A 58 -11.117 11.006 4.970 1.00 0.00 O ATOM 972 CB VAL A 58 -9.414 9.431 7.062 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.450 10.262 7.801 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.045 8.190 7.864 1.00 0.00 C ATOM 0 H VAL A 58 -8.109 8.027 5.396 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.899 8.544 5.763 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.516 10.036 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.067 10.530 8.785 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.661 11.169 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.367 9.684 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.680 8.487 8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.924 7.557 7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.266 7.637 7.340 1.00 0.00 H new ATOM 984 N ALA A 59 -9.138 10.609 3.984 1.00 0.00 N ATOM 985 CA ALA A 59 -9.199 11.807 3.148 1.00 0.00 C ATOM 986 C ALA A 59 -10.501 11.881 2.356 1.00 0.00 C ATOM 987 O ALA A 59 -11.234 12.865 2.443 1.00 0.00 O ATOM 988 CB ALA A 59 -8.010 11.851 2.203 1.00 0.00 C ATOM 0 H ALA A 59 -8.298 10.045 3.854 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.165 12.671 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.068 12.748 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.086 11.867 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.022 10.969 1.562 1.00 0.00 H new ATOM 994 N THR A 60 -10.780 10.841 1.577 1.00 0.00 N ATOM 995 CA THR A 60 -11.990 10.801 0.765 1.00 0.00 C ATOM 996 C THR A 60 -12.799 9.530 1.028 1.00 0.00 C ATOM 997 O THR A 60 -13.677 9.174 0.242 1.00 0.00 O ATOM 998 CB THR A 60 -11.632 10.892 -0.720 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.994 9.704 -1.155 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.713 12.052 -1.045 1.00 0.00 C ATOM 0 H THR A 60 -10.186 10.016 1.491 1.00 0.00 H new ATOM 0 HA THR A 60 -12.605 11.657 1.043 1.00 0.00 H new ATOM 0 HB THR A 60 -12.579 11.044 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.774 9.780 -2.107 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.499 12.058 -2.114 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.196 12.988 -0.766 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.782 11.945 -0.489 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.502 8.850 2.132 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.218 7.632 2.464 1.00 0.00 C ATOM 1010 C GLY A 61 -13.095 6.578 1.380 1.00 0.00 C ATOM 1011 O GLY A 61 -14.024 5.803 1.150 1.00 0.00 O ATOM 0 H GLY A 61 -11.780 9.120 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.834 7.232 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.271 7.864 2.624 1.00 0.00 H new ATOM 1015 N THR A 62 -11.948 6.555 0.711 1.00 0.00 N ATOM 1016 CA THR A 62 -11.705 5.595 -0.358 1.00 0.00 C ATOM 1017 C THR A 62 -11.053 4.325 0.182 1.00 0.00 C ATOM 1018 O THR A 62 -10.009 4.380 0.832 1.00 0.00 O ATOM 1019 CB THR A 62 -10.815 6.218 -1.436 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.483 5.261 -2.425 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.520 6.783 -0.892 1.00 0.00 C ATOM 0 H THR A 62 -11.171 7.191 0.891 1.00 0.00 H new ATOM 0 HA THR A 62 -12.667 5.328 -0.796 1.00 0.00 H new ATOM 0 HB THR A 62 -11.400 7.036 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.915 5.678 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.937 7.209 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.741 7.560 -0.160 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.948 5.987 -0.415 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.671 3.181 -0.099 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.144 1.898 0.351 1.00 0.00 C ATOM 1031 C ASN A 63 -10.014 1.446 -0.566 1.00 0.00 C ATOM 1032 O ASN A 63 -10.046 1.704 -1.770 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.253 0.844 0.378 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.959 -0.280 1.352 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.208 -1.205 1.043 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.552 -0.204 2.538 1.00 0.00 N ATOM 0 H ASN A 63 -12.536 3.117 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.754 2.018 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.196 1.319 0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.381 0.430 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.392 -0.931 3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.167 0.581 2.751 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.009 0.787 0.001 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.874 0.331 -0.790 1.00 0.00 C ATOM 1045 C LEU A 64 -7.368 -1.036 -0.341 1.00 0.00 C ATOM 1046 O LEU A 64 -6.961 -1.218 0.807 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.735 1.348 -0.704 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.078 2.753 -1.210 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.837 3.789 -0.123 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.267 3.085 -2.454 1.00 0.00 C ATOM 0 H LEU A 64 -8.957 0.559 0.994 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.217 0.237 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.412 1.422 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.887 0.970 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.136 2.773 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.087 4.780 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.463 3.563 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.788 3.768 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.524 4.086 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.204 3.044 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.492 2.362 -3.238 1.00 0.00 H new ATOM 1062 N SER A 65 -7.363 -1.981 -1.274 1.00 0.00 N ATOM 1063 CA SER A 65 -6.870 -3.327 -1.010 1.00 0.00 C ATOM 1064 C SER A 65 -5.534 -3.504 -1.718 1.00 0.00 C ATOM 1065 O SER A 65 -5.471 -3.479 -2.947 1.00 0.00 O ATOM 1066 CB SER A 65 -7.872 -4.376 -1.497 1.00 0.00 C ATOM 1067 OG SER A 65 -9.203 -3.976 -1.222 1.00 0.00 O ATOM 0 H SER A 65 -7.698 -1.838 -2.227 1.00 0.00 H new ATOM 0 HA SER A 65 -6.741 -3.462 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.749 -4.530 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.668 -5.331 -1.012 1.00 0.00 H new ATOM 0 HG SER A 65 -9.824 -4.662 -1.544 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.458 -3.635 -0.949 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.131 -3.758 -1.542 1.00 0.00 C ATOM 1075 C LEU A 66 -2.412 -5.034 -1.130 1.00 0.00 C ATOM 1076 O LEU A 66 -2.620 -5.562 -0.037 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.279 -2.551 -1.158 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.909 -1.195 -1.469 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.553 -0.605 -0.225 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.865 -0.247 -2.033 1.00 0.00 C ATOM 0 H LEU A 66 -4.476 -3.659 0.071 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.272 -3.800 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.066 -2.600 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.323 -2.619 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.688 -1.338 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.996 0.361 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.329 -1.279 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.797 -0.473 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.327 0.716 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.066 -0.110 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.451 -0.666 -2.950 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.540 -5.501 -2.018 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.747 -6.694 -1.770 1.00 0.00 C ATOM 1094 C GLN A 67 0.724 -6.314 -1.646 1.00 0.00 C ATOM 1095 O GLN A 67 1.386 -6.016 -2.640 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.937 -7.711 -2.898 1.00 0.00 C ATOM 1097 CG GLN A 67 -0.885 -7.094 -4.287 1.00 0.00 C ATOM 1098 CD GLN A 67 -0.687 -8.129 -5.377 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.602 -8.420 -6.146 1.00 0.00 O ATOM 1100 NE2 GLN A 67 0.515 -8.690 -5.449 1.00 0.00 N ATOM 0 H GLN A 67 -1.366 -5.065 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.080 -7.151 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.165 -8.476 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.896 -8.212 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.810 -6.548 -4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.073 -6.368 -4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.245 -8.418 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.708 -9.392 -6.163 1.00 0.00 H new ATOM 1109 N PHE A 68 1.223 -6.312 -0.416 1.00 0.00 N ATOM 1110 CA PHE A 68 2.613 -5.951 -0.151 1.00 0.00 C ATOM 1111 C PHE A 68 3.499 -7.148 0.172 1.00 0.00 C ATOM 1112 O PHE A 68 3.212 -7.954 1.058 1.00 0.00 O ATOM 1113 CB PHE A 68 2.706 -4.885 0.947 1.00 0.00 C ATOM 1114 CG PHE A 68 1.460 -4.732 1.770 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.977 -5.758 2.573 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.760 -3.539 1.721 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.181 -5.582 3.308 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.392 -3.362 2.448 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.863 -4.381 3.244 1.00 0.00 C ATOM 0 H PHE A 68 0.686 -6.557 0.416 1.00 0.00 H new ATOM 0 HA PHE A 68 2.998 -5.531 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.536 -5.134 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.943 -3.926 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.508 -6.697 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.126 -2.734 1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.552 -6.382 3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.927 -2.425 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.766 -4.242 3.819 1.00 0.00 H new ATOM 1129 N PHE A 69 4.593 -7.219 -0.576 1.00 0.00 N ATOM 1130 CA PHE A 69 5.601 -8.265 -0.446 1.00 0.00 C ATOM 1131 C PHE A 69 6.915 -7.774 -1.046 1.00 0.00 C ATOM 1132 O PHE A 69 6.912 -6.902 -1.915 1.00 0.00 O ATOM 1133 CB PHE A 69 5.162 -9.545 -1.162 1.00 0.00 C ATOM 1134 CG PHE A 69 4.399 -10.509 -0.299 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.800 -10.774 1.002 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.286 -11.163 -0.800 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.102 -11.676 1.784 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.584 -12.062 -0.022 1.00 0.00 C ATOM 1139 CZ PHE A 69 2.994 -12.320 1.271 1.00 0.00 C ATOM 0 H PHE A 69 4.809 -6.538 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 69 5.731 -8.491 0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.543 -9.274 -2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.046 -10.048 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.665 -10.271 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.963 -10.967 -1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.424 -11.876 2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.716 -12.563 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.448 -13.025 1.880 1.00 0.00 H new ATOM 1149 N PRO A 70 8.057 -8.322 -0.608 1.00 0.00 N ATOM 1150 CA PRO A 70 9.362 -7.916 -1.137 1.00 0.00 C ATOM 1151 C PRO A 70 9.428 -8.056 -2.655 1.00 0.00 C ATOM 1152 O PRO A 70 9.391 -9.164 -3.189 1.00 0.00 O ATOM 1153 CB PRO A 70 10.343 -8.880 -0.461 1.00 0.00 C ATOM 1154 CG PRO A 70 9.634 -9.354 0.763 1.00 0.00 C ATOM 1155 CD PRO A 70 8.172 -9.373 0.416 1.00 0.00 C ATOM 0 HA PRO A 70 9.580 -6.867 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.595 -9.712 -1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.277 -8.379 -0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.979 -10.346 1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.826 -8.691 1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.862 -10.345 0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.549 -9.159 1.284 1.00 0.00 H new ATOM 1163 N ALA A 71 9.520 -6.922 -3.343 1.00 0.00 N ATOM 1164 CA ALA A 71 9.584 -6.908 -4.801 1.00 0.00 C ATOM 1165 C ALA A 71 10.731 -7.767 -5.327 1.00 0.00 C ATOM 1166 O ALA A 71 10.721 -8.182 -6.487 1.00 0.00 O ATOM 1167 CB ALA A 71 9.723 -5.479 -5.304 1.00 0.00 C ATOM 0 H ALA A 71 9.552 -5.998 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 71 8.655 -7.335 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.770 -5.480 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.863 -4.893 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.635 -5.039 -4.902 1.00 0.00 H new ATOM 1173 N SER A 72 11.719 -8.029 -4.477 1.00 0.00 N ATOM 1174 CA SER A 72 12.869 -8.837 -4.871 1.00 0.00 C ATOM 1175 C SER A 72 12.656 -10.311 -4.533 1.00 0.00 C ATOM 1176 O SER A 72 13.619 -11.058 -4.350 1.00 0.00 O ATOM 1177 CB SER A 72 14.135 -8.324 -4.185 1.00 0.00 C ATOM 1178 OG SER A 72 14.052 -6.931 -3.936 1.00 0.00 O ATOM 0 H SER A 72 11.747 -7.695 -3.514 1.00 0.00 H new ATOM 0 HA SER A 72 12.983 -8.750 -5.952 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.284 -8.856 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.002 -8.534 -4.811 1.00 0.00 H new ATOM 0 HG SER A 72 14.873 -6.628 -3.495 1.00 0.00 H new ATOM 1319 N PRO A 81 6.257 -12.977 5.160 1.00 0.00 N ATOM 1320 CA PRO A 81 6.788 -11.752 4.559 1.00 0.00 C ATOM 1321 C PRO A 81 7.989 -11.200 5.316 1.00 0.00 C ATOM 1322 O PRO A 81 8.310 -11.657 6.412 1.00 0.00 O ATOM 1323 CB PRO A 81 5.616 -10.759 4.641 1.00 0.00 C ATOM 1324 CG PRO A 81 4.524 -11.464 5.383 1.00 0.00 C ATOM 1325 CD PRO A 81 4.796 -12.934 5.244 1.00 0.00 C ATOM 0 HA PRO A 81 7.143 -11.933 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.913 -9.847 5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.284 -10.466 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.514 -11.169 6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.548 -11.209 4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.421 -13.499 6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.325 -13.352 4.354 1.00 0.00 H new ATOM 1333 N SER A 82 8.637 -10.203 4.727 1.00 0.00 N ATOM 1334 CA SER A 82 9.794 -9.573 5.348 1.00 0.00 C ATOM 1335 C SER A 82 9.467 -8.135 5.725 1.00 0.00 C ATOM 1336 O SER A 82 8.479 -7.573 5.253 1.00 0.00 O ATOM 1337 CB SER A 82 10.995 -9.607 4.402 1.00 0.00 C ATOM 1338 OG SER A 82 12.144 -9.051 5.016 1.00 0.00 O ATOM 0 H SER A 82 8.381 -9.813 3.820 1.00 0.00 H new ATOM 0 HA SER A 82 10.048 -10.128 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.199 -10.636 4.106 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.761 -9.054 3.492 1.00 0.00 H new ATOM 0 HG SER A 82 12.898 -9.086 4.391 1.00 0.00 H new ATOM 1344 N ARG A 83 10.302 -7.535 6.566 1.00 0.00 N ATOM 1345 CA ARG A 83 10.089 -6.154 6.988 1.00 0.00 C ATOM 1346 C ARG A 83 10.555 -5.173 5.910 1.00 0.00 C ATOM 1347 O ARG A 83 10.624 -3.967 6.148 1.00 0.00 O ATOM 1348 CB ARG A 83 10.806 -5.868 8.313 1.00 0.00 C ATOM 1349 CG ARG A 83 10.950 -7.084 9.219 1.00 0.00 C ATOM 1350 CD ARG A 83 10.491 -6.781 10.637 1.00 0.00 C ATOM 1351 NE ARG A 83 10.543 -7.961 11.496 1.00 0.00 N ATOM 1352 CZ ARG A 83 11.647 -8.391 12.103 1.00 0.00 C ATOM 1353 NH1 ARG A 83 12.796 -7.745 11.944 1.00 0.00 N ATOM 1354 NH2 ARG A 83 11.603 -9.470 12.873 1.00 0.00 N ATOM 0 H ARG A 83 11.128 -7.979 6.967 1.00 0.00 H new ATOM 0 HA ARG A 83 9.018 -6.016 7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.797 -5.469 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.260 -5.092 8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.366 -7.911 8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.991 -7.407 9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.118 -5.997 11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.472 -6.395 10.613 1.00 0.00 H new ATOM 0 HE ARG A 83 9.681 -8.488 11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.836 -6.914 11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.638 -8.080 12.412 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.723 -9.970 13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.449 -9.799 13.338 1.00 0.00 H new ATOM 1368 N GLU A 84 10.849 -5.692 4.717 1.00 0.00 N ATOM 1369 CA GLU A 84 11.277 -4.860 3.603 1.00 0.00 C ATOM 1370 C GLU A 84 10.104 -4.034 3.117 1.00 0.00 C ATOM 1371 O GLU A 84 10.228 -2.835 2.864 1.00 0.00 O ATOM 1372 CB GLU A 84 11.826 -5.732 2.470 1.00 0.00 C ATOM 1373 CG GLU A 84 13.179 -5.272 1.956 1.00 0.00 C ATOM 1374 CD GLU A 84 13.148 -4.884 0.490 1.00 0.00 C ATOM 1375 OE1 GLU A 84 12.562 -5.643 -0.311 1.00 0.00 O ATOM 1376 OE2 GLU A 84 13.709 -3.823 0.144 1.00 0.00 O ATOM 0 H GLU A 84 10.797 -6.688 4.502 1.00 0.00 H new ATOM 0 HA GLU A 84 12.073 -4.192 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.910 -6.761 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.114 -5.734 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.516 -4.420 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.908 -6.069 2.101 1.00 0.00 H new ATOM 1383 N TYR A 85 8.960 -4.688 3.010 1.00 0.00 N ATOM 1384 CA TYR A 85 7.743 -4.033 2.578 1.00 0.00 C ATOM 1385 C TYR A 85 6.734 -4.031 3.716 1.00 0.00 C ATOM 1386 O TYR A 85 6.084 -3.024 3.979 1.00 0.00 O ATOM 1387 CB TYR A 85 7.173 -4.725 1.343 1.00 0.00 C ATOM 1388 CG TYR A 85 7.905 -4.359 0.074 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.296 -4.312 0.039 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.210 -4.051 -1.086 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.968 -3.973 -1.120 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.874 -3.711 -2.250 1.00 0.00 C ATOM 1393 CZ TYR A 85 9.253 -3.674 -2.260 1.00 0.00 C ATOM 1394 OH TYR A 85 9.919 -3.334 -3.416 1.00 0.00 O ATOM 0 H TYR A 85 8.851 -5.680 3.219 1.00 0.00 H new ATOM 0 HA TYR A 85 7.967 -3.001 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.219 -5.805 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.121 -4.461 1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.858 -4.544 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.130 -4.077 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.047 -3.942 -1.133 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.317 -3.476 -3.145 1.00 0.00 H new ATOM 0 HH TYR A 85 10.864 -3.579 -3.333 1.00 0.00 H new ATOM 1404 N VAL A 86 6.638 -5.159 4.412 1.00 0.00 N ATOM 1405 CA VAL A 86 5.738 -5.275 5.549 1.00 0.00 C ATOM 1406 C VAL A 86 6.522 -5.588 6.814 1.00 0.00 C ATOM 1407 O VAL A 86 7.016 -6.700 6.994 1.00 0.00 O ATOM 1408 CB VAL A 86 4.677 -6.375 5.354 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.436 -5.820 4.678 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.241 -7.547 4.567 1.00 0.00 C ATOM 0 H VAL A 86 7.172 -6.003 4.208 1.00 0.00 H new ATOM 0 HA VAL A 86 5.229 -4.315 5.636 1.00 0.00 H new ATOM 0 HB VAL A 86 4.391 -6.739 6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.703 -6.617 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.009 -5.028 5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.703 -5.416 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.470 -8.308 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.569 -7.202 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.088 -7.972 5.105 1.00 0.00 H new ATOM 1420 N ASP A 87 6.616 -4.603 7.690 1.00 0.00 N ATOM 1421 CA ASP A 87 7.330 -4.757 8.949 1.00 0.00 C ATOM 1422 C ASP A 87 6.348 -4.811 10.106 1.00 0.00 C ATOM 1423 O ASP A 87 5.431 -3.996 10.188 1.00 0.00 O ATOM 1424 CB ASP A 87 8.313 -3.599 9.149 1.00 0.00 C ATOM 1425 CG ASP A 87 9.074 -3.693 10.459 1.00 0.00 C ATOM 1426 OD1 ASP A 87 8.427 -3.869 11.513 1.00 0.00 O ATOM 1427 OD2 ASP A 87 10.318 -3.587 10.431 1.00 0.00 O ATOM 0 H ASP A 87 6.204 -3.680 7.552 1.00 0.00 H new ATOM 0 HA ASP A 87 7.891 -5.691 8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.023 -3.584 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.767 -2.656 9.118 1.00 0.00 H new ATOM 1515 N GLY A 93 4.330 0.347 18.707 1.00 0.00 N ATOM 1516 CA GLY A 93 2.978 0.876 18.721 1.00 0.00 C ATOM 1517 C GLY A 93 2.115 0.361 17.584 1.00 0.00 C ATOM 1518 O GLY A 93 1.087 -0.273 17.819 1.00 0.00 O ATOM 0 HA2 GLY A 93 2.506 0.620 19.670 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.021 1.964 18.670 1.00 0.00 H new ATOM 1522 N LYS A 94 2.519 0.649 16.351 1.00 0.00 N ATOM 1523 CA LYS A 94 1.755 0.222 15.182 1.00 0.00 C ATOM 1524 C LYS A 94 2.658 -0.427 14.139 1.00 0.00 C ATOM 1525 O LYS A 94 3.875 -0.496 14.310 1.00 0.00 O ATOM 1526 CB LYS A 94 1.014 1.413 14.559 1.00 0.00 C ATOM 1527 CG LYS A 94 0.839 2.598 15.501 1.00 0.00 C ATOM 1528 CD LYS A 94 1.927 3.639 15.297 1.00 0.00 C ATOM 1529 CE LYS A 94 2.128 4.488 16.542 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.290 5.931 16.212 1.00 0.00 N ATOM 0 H LYS A 94 3.367 1.174 16.135 1.00 0.00 H new ATOM 0 HA LYS A 94 1.027 -0.518 15.515 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.558 1.743 13.674 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.031 1.081 14.224 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.137 3.054 15.336 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.857 2.249 16.533 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.863 3.143 15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.664 4.281 14.456 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.275 4.362 17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.008 4.138 17.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.425 6.475 17.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.119 6.055 15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.440 6.272 15.720 1.00 0.00 H new ATOM 1544 N VAL A 95 2.048 -0.902 13.056 1.00 0.00 N ATOM 1545 CA VAL A 95 2.791 -1.551 11.978 1.00 0.00 C ATOM 1546 C VAL A 95 2.510 -0.876 10.637 1.00 0.00 C ATOM 1547 O VAL A 95 1.361 -0.587 10.308 1.00 0.00 O ATOM 1548 CB VAL A 95 2.441 -3.059 11.880 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.980 -3.298 12.230 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.756 -3.613 10.493 1.00 0.00 C ATOM 0 H VAL A 95 1.041 -0.850 12.901 1.00 0.00 H new ATOM 0 HA VAL A 95 3.851 -1.452 12.213 1.00 0.00 H new ATOM 0 HB VAL A 95 3.061 -3.590 12.602 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.757 -4.362 12.155 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.790 -2.959 13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.345 -2.744 11.538 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.499 -4.672 10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.175 -3.073 9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.819 -3.490 10.285 1.00 0.00 H new ATOM 1560 N TYR A 96 3.568 -0.650 9.859 1.00 0.00 N ATOM 1561 CA TYR A 96 3.434 -0.031 8.542 1.00 0.00 C ATOM 1562 C TYR A 96 3.971 -0.936 7.443 1.00 0.00 C ATOM 1563 O TYR A 96 4.897 -1.718 7.659 1.00 0.00 O ATOM 1564 CB TYR A 96 4.120 1.342 8.469 1.00 0.00 C ATOM 1565 CG TYR A 96 5.152 1.612 9.546 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.121 0.674 9.882 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.157 2.826 10.221 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.060 0.939 10.861 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.089 3.098 11.200 1.00 0.00 C ATOM 1570 CZ TYR A 96 7.038 2.152 11.518 1.00 0.00 C ATOM 1571 OH TYR A 96 7.973 2.421 12.491 1.00 0.00 O ATOM 0 H TYR A 96 4.526 -0.886 10.118 1.00 0.00 H new ATOM 0 HA TYR A 96 2.366 0.119 8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.602 1.437 7.496 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.354 2.115 8.522 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.141 -0.277 9.370 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.416 3.572 9.974 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.807 0.200 11.110 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.075 4.047 11.715 1.00 0.00 H new ATOM 0 HH TYR A 96 7.819 3.318 12.854 1.00 0.00 H new ATOM 1581 N LEU A 97 3.379 -0.816 6.260 1.00 0.00 N ATOM 1582 CA LEU A 97 3.785 -1.616 5.115 1.00 0.00 C ATOM 1583 C LEU A 97 3.777 -0.786 3.834 1.00 0.00 C ATOM 1584 O LEU A 97 3.209 0.309 3.791 1.00 0.00 O ATOM 1585 CB LEU A 97 2.873 -2.839 4.954 1.00 0.00 C ATOM 1586 CG LEU A 97 1.372 -2.572 5.120 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.029 -2.223 6.563 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.928 -1.462 4.184 1.00 0.00 C ATOM 0 H LEU A 97 2.613 -0.169 6.071 1.00 0.00 H new ATOM 0 HA LEU A 97 4.803 -1.960 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.041 -3.267 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.173 -3.592 5.683 1.00 0.00 H new ATOM 0 HG LEU A 97 0.836 -3.485 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.042 -2.039 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.308 -3.052 7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.575 -1.328 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.140 -1.283 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.479 -0.550 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.125 -1.755 3.153 1.00 0.00 H new ATOM 1600 N LYS A 98 4.413 -1.327 2.798 1.00 0.00 N ATOM 1601 CA LYS A 98 4.499 -0.669 1.500 1.00 0.00 C ATOM 1602 C LYS A 98 4.156 -1.657 0.388 1.00 0.00 C ATOM 1603 O LYS A 98 4.761 -2.725 0.291 1.00 0.00 O ATOM 1604 CB LYS A 98 5.910 -0.117 1.287 1.00 0.00 C ATOM 1605 CG LYS A 98 6.013 0.868 0.136 1.00 0.00 C ATOM 1606 CD LYS A 98 7.441 0.975 -0.379 1.00 0.00 C ATOM 1607 CE LYS A 98 7.925 -0.343 -0.966 1.00 0.00 C ATOM 1608 NZ LYS A 98 8.193 -0.234 -2.427 1.00 0.00 N ATOM 0 H LYS A 98 4.882 -2.232 2.836 1.00 0.00 H new ATOM 0 HA LYS A 98 3.786 0.155 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.241 0.372 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.592 -0.948 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.355 0.553 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.668 1.849 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.497 1.755 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.101 1.275 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.834 -0.657 -0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.176 -1.115 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.780 -1.036 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.292 -0.246 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.694 0.656 -2.623 1.00 0.00 H new ATOM 1622 N ALA A 99 3.181 -1.305 -0.447 1.00 0.00 N ATOM 1623 CA ALA A 99 2.769 -2.181 -1.539 1.00 0.00 C ATOM 1624 C ALA A 99 2.818 -1.472 -2.890 1.00 0.00 C ATOM 1625 O ALA A 99 2.431 -0.309 -3.005 1.00 0.00 O ATOM 1626 CB ALA A 99 1.365 -2.710 -1.291 1.00 0.00 C ATOM 0 H ALA A 99 2.666 -0.427 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 99 3.474 -3.011 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.071 -3.362 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.348 -3.273 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.668 -1.875 -1.223 1.00 0.00 H new ATOM 1632 N PRO A 100 3.279 -2.175 -3.942 1.00 0.00 N ATOM 1633 CA PRO A 100 3.355 -1.628 -5.284 1.00 0.00 C ATOM 1634 C PRO A 100 2.083 -1.924 -6.074 1.00 0.00 C ATOM 1635 O PRO A 100 1.758 -3.084 -6.329 1.00 0.00 O ATOM 1636 CB PRO A 100 4.552 -2.372 -5.880 1.00 0.00 C ATOM 1637 CG PRO A 100 4.649 -3.669 -5.124 1.00 0.00 C ATOM 1638 CD PRO A 100 3.746 -3.568 -3.915 1.00 0.00 C ATOM 0 HA PRO A 100 3.461 -0.543 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.410 -2.551 -6.946 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.467 -1.789 -5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.348 -4.504 -5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.678 -3.857 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.914 -4.270 -3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.284 -3.792 -2.994 1.00 0.00 H new ATOM 1646 N MET A 101 1.353 -0.874 -6.444 1.00 0.00 N ATOM 1647 CA MET A 101 0.106 -1.038 -7.183 1.00 0.00 C ATOM 1648 C MET A 101 0.133 -0.274 -8.501 1.00 0.00 C ATOM 1649 O MET A 101 1.053 0.500 -8.766 1.00 0.00 O ATOM 1650 CB MET A 101 -1.076 -0.561 -6.335 1.00 0.00 C ATOM 1651 CG MET A 101 -1.819 -1.687 -5.634 1.00 0.00 C ATOM 1652 SD MET A 101 -3.611 -1.528 -5.763 1.00 0.00 S ATOM 1653 CE MET A 101 -3.868 0.082 -5.020 1.00 0.00 C ATOM 0 H MET A 101 1.603 0.095 -6.245 1.00 0.00 H new ATOM 0 HA MET A 101 -0.009 -2.099 -7.407 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.714 0.144 -5.587 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.774 -0.019 -6.973 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.512 -2.641 -6.062 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.535 -1.704 -4.582 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.651 0.013 -4.265 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.942 0.419 -4.553 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.167 0.794 -5.789 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.892 -0.495 -9.317 1.00 0.00 N ATOM 1664 CA ILE A 102 -1.002 0.176 -10.604 1.00 0.00 C ATOM 1665 C ILE A 102 -2.186 1.136 -10.611 1.00 0.00 C ATOM 1666 O ILE A 102 -3.342 0.718 -10.691 1.00 0.00 O ATOM 1667 CB ILE A 102 -1.160 -0.839 -11.758 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.072 -1.744 -11.839 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.382 -0.120 -13.085 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.321 -1.027 -12.309 1.00 0.00 C ATOM 0 H ILE A 102 -1.659 -1.135 -9.108 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.080 0.736 -10.756 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.035 -1.456 -11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.260 -2.177 -10.856 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.139 -2.571 -12.517 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.491 -0.854 -13.883 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.286 0.486 -13.024 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.528 0.523 -13.298 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.153 -1.730 -12.342 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.152 -0.617 -13.305 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.557 -0.217 -11.619 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.885 2.425 -10.538 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.912 3.460 -10.545 1.00 0.00 C ATOM 1684 C LEU A 103 -2.897 4.190 -11.877 1.00 0.00 C ATOM 1685 O LEU A 103 -1.860 4.276 -12.510 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.703 4.449 -9.398 1.00 0.00 C ATOM 1687 CG LEU A 103 -3.413 4.088 -8.092 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -3.097 5.112 -7.012 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.917 3.988 -8.313 1.00 0.00 C ATOM 0 H LEU A 103 -0.932 2.782 -10.473 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.883 2.984 -10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.634 4.533 -9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.046 5.432 -9.720 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.049 3.116 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.611 4.839 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.022 5.134 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.432 6.097 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.406 3.730 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.297 4.945 -8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.125 3.216 -9.054 1.00 0.00 H new ATOM 1701 N ASN A 104 -4.053 4.699 -12.294 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.197 5.419 -13.571 1.00 0.00 C ATOM 1703 C ASN A 104 -2.898 5.473 -14.389 1.00 0.00 C ATOM 1704 O ASN A 104 -2.173 6.467 -14.357 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.664 6.847 -13.290 1.00 0.00 C ATOM 1706 CG ASN A 104 -6.122 6.909 -12.880 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.934 6.089 -13.307 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.462 7.887 -12.048 1.00 0.00 N ATOM 0 H ASN A 104 -4.920 4.628 -11.762 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.927 4.869 -14.164 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.049 7.279 -12.500 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.514 7.457 -14.181 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.429 7.980 -11.738 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.756 8.545 -11.719 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.628 4.394 -15.132 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.434 4.315 -15.972 1.00 0.00 C ATOM 1717 C GLY A 105 -0.201 4.924 -15.331 1.00 0.00 C ATOM 1718 O GLY A 105 0.454 5.780 -15.925 1.00 0.00 O ATOM 0 H GLY A 105 -3.222 3.565 -15.167 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.233 3.270 -16.206 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.630 4.822 -16.917 1.00 0.00 H new ATOM 1722 N VAL A 106 0.104 4.487 -14.117 1.00 0.00 N ATOM 1723 CA VAL A 106 1.245 4.990 -13.371 1.00 0.00 C ATOM 1724 C VAL A 106 1.575 4.051 -12.211 1.00 0.00 C ATOM 1725 O VAL A 106 0.677 3.569 -11.520 1.00 0.00 O ATOM 1726 CB VAL A 106 0.955 6.400 -12.806 1.00 0.00 C ATOM 1727 CG1 VAL A 106 1.992 6.800 -11.770 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.891 7.426 -13.925 1.00 0.00 C ATOM 0 H VAL A 106 -0.433 3.774 -13.623 1.00 0.00 H new ATOM 0 HA VAL A 106 2.092 5.045 -14.055 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.017 6.369 -12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.762 7.796 -11.391 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.978 6.086 -10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.981 6.806 -12.228 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.686 8.411 -13.505 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.844 7.448 -14.453 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.097 7.156 -14.621 1.00 0.00 H new ATOM 1738 N CYS A 107 2.861 3.806 -11.992 1.00 0.00 N ATOM 1739 CA CYS A 107 3.286 2.937 -10.902 1.00 0.00 C ATOM 1740 C CYS A 107 3.177 3.677 -9.573 1.00 0.00 C ATOM 1741 O CYS A 107 3.865 4.673 -9.348 1.00 0.00 O ATOM 1742 CB CYS A 107 4.723 2.457 -11.130 1.00 0.00 C ATOM 1743 SG CYS A 107 5.391 1.446 -9.787 1.00 0.00 S ATOM 0 H CYS A 107 3.622 4.193 -12.550 1.00 0.00 H new ATOM 0 HA CYS A 107 2.633 2.065 -10.873 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.759 1.882 -12.055 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.366 3.326 -11.270 1.00 0.00 H new ATOM 0 HG CYS A 107 6.607 1.089 -10.076 1.00 0.00 H new ATOM 1749 N VAL A 108 2.295 3.196 -8.701 1.00 0.00 N ATOM 1750 CA VAL A 108 2.085 3.829 -7.405 1.00 0.00 C ATOM 1751 C VAL A 108 2.457 2.902 -6.255 1.00 0.00 C ATOM 1752 O VAL A 108 2.412 1.679 -6.384 1.00 0.00 O ATOM 1753 CB VAL A 108 0.621 4.273 -7.240 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.321 5.459 -8.144 1.00 0.00 C ATOM 1755 CG2 VAL A 108 -0.320 3.113 -7.533 1.00 0.00 C ATOM 0 H VAL A 108 1.717 2.373 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 108 2.737 4.702 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 108 0.464 4.586 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.718 5.761 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.975 6.291 -7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.491 5.177 -9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.352 3.442 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.166 2.769 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.117 2.296 -6.841 1.00 0.00 H new ATOM 1765 N ILE A 109 2.829 3.504 -5.130 1.00 0.00 N ATOM 1766 CA ILE A 109 3.220 2.753 -3.943 1.00 0.00 C ATOM 1767 C ILE A 109 2.523 3.303 -2.699 1.00 0.00 C ATOM 1768 O ILE A 109 2.762 4.442 -2.299 1.00 0.00 O ATOM 1769 CB ILE A 109 4.747 2.808 -3.713 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.509 2.879 -5.047 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.205 1.615 -2.888 1.00 0.00 C ATOM 1772 CD1 ILE A 109 5.521 1.580 -5.826 1.00 0.00 C ATOM 0 H ILE A 109 2.868 4.517 -5.016 1.00 0.00 H new ATOM 0 HA ILE A 109 2.920 1.719 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 109 4.972 3.717 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.062 3.657 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.538 3.180 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.283 1.670 -2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.701 1.626 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.960 0.693 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.078 1.717 -6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.996 0.802 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.498 1.286 -6.058 1.00 0.00 H new ATOM 1784 N TRP A 110 1.665 2.490 -2.088 1.00 0.00 N ATOM 1785 CA TRP A 110 0.943 2.904 -0.887 1.00 0.00 C ATOM 1786 C TRP A 110 1.684 2.459 0.368 1.00 0.00 C ATOM 1787 O TRP A 110 2.009 1.282 0.524 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.471 2.318 -0.884 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.339 2.835 0.228 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.335 3.767 0.128 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.296 2.445 1.607 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.906 3.981 1.359 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.287 3.183 2.282 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.515 1.544 2.340 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.519 3.048 3.647 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -0.748 1.413 3.697 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.742 2.162 4.337 1.00 0.00 C ATOM 0 H TRP A 110 1.453 1.543 -2.403 1.00 0.00 H new ATOM 0 HA TRP A 110 0.879 3.992 -0.891 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.948 2.540 -1.838 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.404 1.233 -0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.630 4.262 -0.785 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.668 4.630 1.554 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.255 0.962 1.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.286 3.623 4.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.152 0.720 4.273 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.898 2.037 5.398 1.00 0.00 H new ATOM 1808 N LYS A 111 1.945 3.405 1.263 1.00 0.00 N ATOM 1809 CA LYS A 111 2.643 3.106 2.505 1.00 0.00 C ATOM 1810 C LYS A 111 1.923 3.741 3.689 1.00 0.00 C ATOM 1811 O LYS A 111 1.469 4.883 3.610 1.00 0.00 O ATOM 1812 CB LYS A 111 4.093 3.593 2.428 1.00 0.00 C ATOM 1813 CG LYS A 111 4.794 3.669 3.774 1.00 0.00 C ATOM 1814 CD LYS A 111 4.525 4.998 4.457 1.00 0.00 C ATOM 1815 CE LYS A 111 4.384 4.838 5.963 1.00 0.00 C ATOM 1816 NZ LYS A 111 5.512 5.474 6.697 1.00 0.00 N ATOM 0 H LYS A 111 1.683 4.384 1.151 1.00 0.00 H new ATOM 0 HA LYS A 111 2.649 2.026 2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.655 2.925 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.110 4.580 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.453 2.853 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.867 3.538 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.338 5.690 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.614 5.438 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.443 5.282 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.340 3.778 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.378 5.343 7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.408 5.034 6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.539 6.491 6.479 1.00 0.00 H new ATOM 1830 N GLY A 112 1.819 2.996 4.784 1.00 0.00 N ATOM 1831 CA GLY A 112 1.147 3.518 5.965 1.00 0.00 C ATOM 1832 C GLY A 112 1.107 2.522 7.105 1.00 0.00 C ATOM 1833 O GLY A 112 1.334 1.330 6.902 1.00 0.00 O ATOM 0 H GLY A 112 2.184 2.048 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.656 4.423 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.128 3.803 5.702 1.00 0.00 H new ATOM 1837 N TRP A 113 0.816 3.010 8.311 1.00 0.00 N ATOM 1838 CA TRP A 113 0.752 2.143 9.483 1.00 0.00 C ATOM 1839 C TRP A 113 -0.641 2.125 10.100 1.00 0.00 C ATOM 1840 O TRP A 113 -1.410 3.080 9.972 1.00 0.00 O ATOM 1841 CB TRP A 113 1.773 2.570 10.542 1.00 0.00 C ATOM 1842 CG TRP A 113 1.606 3.981 11.013 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.314 5.073 10.600 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.681 4.451 12.000 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.879 6.195 11.263 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.878 5.839 12.128 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.297 3.833 12.783 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.131 6.618 13.010 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.035 4.607 13.658 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.818 5.985 13.765 1.00 0.00 C ATOM 0 H TRP A 113 0.623 3.994 8.499 1.00 0.00 H new ATOM 0 HA TRP A 113 0.990 1.136 9.140 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.695 1.900 11.398 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.777 2.450 10.134 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.101 5.057 9.860 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.242 7.139 11.132 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.473 2.770 12.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.295 7.682 13.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.793 4.140 14.270 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.412 6.561 14.458 1.00 0.00 H new ATOM 1861 N ILE A 114 -0.937 1.028 10.793 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.217 0.851 11.469 1.00 0.00 C ATOM 1863 C ILE A 114 -1.974 0.503 12.931 1.00 0.00 C ATOM 1864 O ILE A 114 -1.078 -0.285 13.240 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.078 -0.271 10.836 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.628 -0.587 9.405 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.546 0.122 10.854 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.868 0.545 8.429 1.00 0.00 C ATOM 0 H ILE A 114 -0.298 0.240 10.901 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.761 1.790 11.369 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.942 -1.173 11.432 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.565 -0.829 9.413 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.155 -1.475 9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.141 -0.674 10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.868 0.281 11.883 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.684 1.041 10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.525 0.249 7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.933 0.773 8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.319 1.429 8.754 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.765 1.081 13.829 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.600 0.807 15.249 1.00 0.00 C ATOM 1882 C ASP A 115 -3.382 -0.447 15.635 1.00 0.00 C ATOM 1883 O ASP A 115 -4.504 -0.663 15.176 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.026 2.019 16.089 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.486 1.993 16.483 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.336 2.367 15.649 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -4.778 1.604 17.631 1.00 0.00 O ATOM 0 H ASP A 115 -3.516 1.733 13.602 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.545 0.624 15.454 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.415 2.060 16.990 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -2.825 2.931 15.526 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.755 -1.286 16.450 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.344 -2.553 16.873 1.00 0.00 C ATOM 1894 C LEU A 116 -4.427 -2.394 17.945 1.00 0.00 C ATOM 1895 O LEU A 116 -4.845 -3.383 18.548 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.240 -3.476 17.385 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.938 -3.435 16.573 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.250 -3.100 17.466 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.711 -4.755 15.846 1.00 0.00 C ATOM 0 H LEU A 116 -1.827 -1.110 16.836 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.835 -2.983 16.000 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.016 -3.212 18.418 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.615 -4.499 17.392 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.032 -2.647 15.826 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.160 -3.077 16.867 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.095 -2.125 17.928 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.346 -3.858 18.243 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.217 -4.702 15.277 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.646 -5.564 16.573 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.542 -4.944 15.167 1.00 0.00 H new ATOM 1911 N HIS A 117 -4.892 -1.172 18.179 1.00 0.00 N ATOM 1912 CA HIS A 117 -5.933 -0.945 19.175 1.00 0.00 C ATOM 1913 C HIS A 117 -7.209 -0.446 18.506 1.00 0.00 C ATOM 1914 O HIS A 117 -8.238 -1.119 18.516 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.463 0.067 20.222 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.044 -0.131 20.654 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -3.693 -0.548 21.922 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -2.881 0.031 19.979 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.377 -0.632 22.007 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -1.861 -0.286 20.843 1.00 0.00 N ATOM 0 H HIS A 117 -4.569 -0.332 17.699 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.142 -1.892 19.672 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.574 1.073 19.818 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.112 0.001 21.095 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -2.775 0.350 18.953 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.818 -0.933 22.881 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.866 -0.258 20.621 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.119 0.739 17.922 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.249 1.354 17.233 1.00 0.00 C ATOM 1931 C ARG A 118 -8.299 0.931 15.764 1.00 0.00 C ATOM 1932 O ARG A 118 -9.290 1.178 15.076 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.176 2.886 17.334 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.027 3.400 18.193 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.286 4.815 18.683 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.588 5.728 17.584 1.00 0.00 N ATOM 1937 CZ ARG A 118 -6.665 6.256 16.784 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -5.381 5.964 16.958 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -7.025 7.078 15.809 1.00 0.00 N ATOM 0 H ARG A 118 -6.268 1.300 17.911 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.160 1.009 17.721 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.079 3.301 16.331 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.116 3.257 17.743 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.886 2.738 19.048 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.102 3.377 17.617 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.118 4.808 19.387 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.412 5.177 19.225 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.564 5.976 17.420 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.099 5.332 17.708 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.677 6.371 16.342 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -8.010 7.306 15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.317 7.483 15.196 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.228 0.297 15.283 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.162 -0.152 13.895 1.00 0.00 C ATOM 1955 C LEU A 119 -7.131 1.031 12.939 1.00 0.00 C ATOM 1956 O LEU A 119 -7.642 0.968 11.822 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.349 -1.048 13.572 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.021 -2.535 13.442 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.234 -3.308 12.945 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.832 -2.740 12.510 1.00 0.00 C ATOM 0 H LEU A 119 -6.397 0.084 15.835 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.240 -0.720 13.769 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.101 -0.924 14.351 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.798 -0.708 12.639 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.753 -2.917 14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.982 -4.365 12.859 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.056 -3.188 13.651 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.534 -2.926 11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.612 -3.805 12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.070 -2.343 11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.962 -2.219 12.910 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.522 2.105 13.394 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.402 3.321 12.601 1.00 0.00 C ATOM 1974 C ASP A 120 -4.991 3.886 12.707 1.00 0.00 C ATOM 1975 O ASP A 120 -4.327 3.725 13.731 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.420 4.363 13.066 1.00 0.00 C ATOM 1977 CG ASP A 120 -8.787 4.156 12.442 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.125 2.996 12.127 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.518 5.154 12.270 1.00 0.00 O ATOM 0 H ASP A 120 -6.096 2.165 14.319 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.604 3.074 11.559 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.509 4.320 14.152 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.056 5.359 12.815 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.535 4.543 11.647 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.202 5.111 11.660 1.00 0.00 C ATOM 1986 C GLY A 121 -3.010 6.195 10.619 1.00 0.00 C ATOM 1987 O GLY A 121 -3.817 7.119 10.516 1.00 0.00 O ATOM 0 H GLY A 121 -5.060 4.691 10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -2.999 5.524 12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.474 4.318 11.490 1.00 0.00 H new ATOM 1991 N MET A 122 -1.933 6.085 9.850 1.00 0.00 N ATOM 1992 CA MET A 122 -1.634 7.073 8.819 1.00 0.00 C ATOM 1993 C MET A 122 -1.111 6.410 7.550 1.00 0.00 C ATOM 1994 O MET A 122 -0.282 5.502 7.603 1.00 0.00 O ATOM 1995 CB MET A 122 -0.608 8.083 9.338 1.00 0.00 C ATOM 1996 CG MET A 122 -1.066 8.829 10.583 1.00 0.00 C ATOM 1997 SD MET A 122 -1.089 10.619 10.357 1.00 0.00 S ATOM 1998 CE MET A 122 -2.846 10.951 10.463 1.00 0.00 C ATOM 0 H MET A 122 -1.255 5.326 9.920 1.00 0.00 H new ATOM 0 HA MET A 122 -2.561 7.591 8.574 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.324 7.562 9.559 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.391 8.805 8.551 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.065 8.489 10.858 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.405 8.581 11.413 1.00 0.00 H new ATOM 0 HE1 MET A 122 -3.176 11.455 9.555 1.00 0.00 H new ATOM 0 HE2 MET A 122 -3.388 10.012 10.574 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.045 11.588 11.325 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.602 6.879 6.408 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.177 6.335 5.134 1.00 0.00 C ATOM 2010 C GLY A 123 -0.699 7.414 4.187 1.00 0.00 C ATOM 2011 O GLY A 123 -0.777 8.602 4.502 1.00 0.00 O ATOM 0 H GLY A 123 -2.290 7.630 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.375 5.615 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.005 5.793 4.677 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.201 7.008 3.025 1.00 0.00 N ATOM 2016 CA CYS A 124 0.293 7.962 2.041 1.00 0.00 C ATOM 2017 C CYS A 124 0.699 7.266 0.749 1.00 0.00 C ATOM 2018 O CYS A 124 1.215 6.148 0.770 1.00 0.00 O ATOM 2019 CB CYS A 124 1.487 8.732 2.610 1.00 0.00 C ATOM 2020 SG CYS A 124 2.969 7.727 2.860 1.00 0.00 S ATOM 0 H CYS A 124 -0.129 6.031 2.743 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.515 8.657 1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.729 9.554 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.198 9.175 3.563 1.00 0.00 H new ATOM 0 HG CYS A 124 2.897 6.657 2.125 1.00 0.00 H new ATOM 2026 N LEU A 125 0.480 7.940 -0.376 1.00 0.00 N ATOM 2027 CA LEU A 125 0.845 7.383 -1.672 1.00 0.00 C ATOM 2028 C LEU A 125 2.226 7.878 -2.089 1.00 0.00 C ATOM 2029 O LEU A 125 2.660 8.956 -1.683 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.191 7.754 -2.739 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.530 7.015 -2.653 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.340 7.233 -3.923 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.310 5.531 -2.409 1.00 0.00 C ATOM 0 H LEU A 125 0.055 8.866 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 125 0.869 6.297 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.384 8.825 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.243 7.567 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.091 7.420 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.288 6.701 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.531 8.298 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.782 6.856 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.274 5.025 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.728 5.110 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.771 5.392 -1.472 1.00 0.00 H new ATOM 2045 N GLU A 126 2.908 7.083 -2.900 1.00 0.00 N ATOM 2046 CA GLU A 126 4.241 7.426 -3.378 1.00 0.00 C ATOM 2047 C GLU A 126 4.480 6.808 -4.748 1.00 0.00 C ATOM 2048 O GLU A 126 4.467 5.589 -4.897 1.00 0.00 O ATOM 2049 CB GLU A 126 5.304 6.945 -2.386 1.00 0.00 C ATOM 2050 CG GLU A 126 6.012 8.075 -1.658 1.00 0.00 C ATOM 2051 CD GLU A 126 6.903 7.578 -0.537 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.540 6.519 -0.711 1.00 0.00 O ATOM 2053 OE2 GLU A 126 6.962 8.248 0.515 1.00 0.00 O ATOM 0 H GLU A 126 2.558 6.189 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 126 4.313 8.510 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.834 6.289 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.044 6.348 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.612 8.641 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.270 8.761 -1.250 1.00 0.00 H new ATOM 2060 N PHE A 127 4.691 7.651 -5.745 1.00 0.00 N ATOM 2061 CA PHE A 127 4.923 7.181 -7.099 1.00 0.00 C ATOM 2062 C PHE A 127 6.370 6.720 -7.262 1.00 0.00 C ATOM 2063 O PHE A 127 7.295 7.352 -6.753 1.00 0.00 O ATOM 2064 CB PHE A 127 4.560 8.294 -8.087 1.00 0.00 C ATOM 2065 CG PHE A 127 5.397 8.329 -9.327 1.00 0.00 C ATOM 2066 CD1 PHE A 127 6.637 8.935 -9.315 1.00 0.00 C ATOM 2067 CD2 PHE A 127 4.937 7.768 -10.503 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.408 8.980 -10.457 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.702 7.807 -11.649 1.00 0.00 C ATOM 2070 CZ PHE A 127 6.941 8.415 -11.628 1.00 0.00 C ATOM 0 H PHE A 127 4.706 8.666 -5.641 1.00 0.00 H new ATOM 0 HA PHE A 127 4.289 6.319 -7.307 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.515 8.179 -8.374 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.647 9.254 -7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.007 9.378 -8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.967 7.294 -10.525 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.377 9.457 -10.436 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.333 7.363 -12.561 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.543 8.449 -12.524 1.00 0.00 H new ATOM 2080 N ASP A 128 6.554 5.603 -7.959 1.00 0.00 N ATOM 2081 CA ASP A 128 7.884 5.043 -8.169 1.00 0.00 C ATOM 2082 C ASP A 128 8.536 5.593 -9.435 1.00 0.00 C ATOM 2083 O ASP A 128 8.204 5.182 -10.546 1.00 0.00 O ATOM 2084 CB ASP A 128 7.805 3.517 -8.247 1.00 0.00 C ATOM 2085 CG ASP A 128 8.963 2.841 -7.537 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.022 2.921 -6.292 1.00 0.00 O ATOM 2087 OD2 ASP A 128 9.809 2.233 -8.226 1.00 0.00 O ATOM 0 H ASP A 128 5.799 5.068 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 128 8.503 5.335 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.866 3.181 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.794 3.209 -9.293 1.00 0.00 H new ATOM 2092 N GLU A 129 9.477 6.517 -9.254 1.00 0.00 N ATOM 2093 CA GLU A 129 10.190 7.117 -10.377 1.00 0.00 C ATOM 2094 C GLU A 129 11.171 6.121 -10.997 1.00 0.00 C ATOM 2095 O GLU A 129 11.678 6.339 -12.098 1.00 0.00 O ATOM 2096 CB GLU A 129 10.941 8.370 -9.914 1.00 0.00 C ATOM 2097 CG GLU A 129 10.663 9.599 -10.765 1.00 0.00 C ATOM 2098 CD GLU A 129 11.928 10.239 -11.303 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.684 9.549 -12.020 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.162 11.430 -11.008 1.00 0.00 O ATOM 0 H GLU A 129 9.763 6.866 -8.339 1.00 0.00 H new ATOM 0 HA GLU A 129 9.458 7.396 -11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.668 8.585 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.012 8.166 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.019 9.320 -11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.115 10.331 -10.171 1.00 0.00 H new