USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 821 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 HIS : no HE2:sc= -3.16 K(o=-2.6,f=-4.5!) USER MOD Set 1.2: A 76 GLN : amide:sc= 1.86 K(o=-2.6,f=-4.9) USER MOD Set 1.3: A 82 TYR OH : rot 18:sc= -1.34 USER MOD Set 2.1: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 65 CYS SG : rot 153:sc= -1.05 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -63:sc= 1.04 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= -0.0668 (180deg=-0.0904) USER MOD Single : A 36 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.11) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -90:sc= -0.224 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 54 GLN : amide:sc= -0.0827 K(o=-0.083,f=-2.8!) USER MOD Single : A 57 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.52) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 68 GLN : amide:sc=-0.00771 K(o=-0.0077,f=-0.95) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -166:sc= -1.56 (180deg=-2.9) USER MOD Single : A 72 TYR OH : rot 5:sc= 0.0631 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= -0.0198 (180deg=-0.244) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.179 USER MOD Single : A 102 SER OG : rot 18:sc= 0.218 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.203 -15.625 17.409 1.00 0.00 N ATOM 2 CA GLY A 1 -4.928 -17.073 17.194 1.00 0.00 C ATOM 3 C GLY A 1 -5.165 -17.503 15.760 1.00 0.00 C ATOM 4 O GLY A 1 -6.308 -17.637 15.326 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.026 -15.382 18.405 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.580 -15.059 16.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.196 -15.422 17.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.895 -17.288 17.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.563 -17.662 17.856 1.00 0.00 H new ATOM 10 N SER A 2 -4.079 -17.719 15.023 1.00 0.00 N ATOM 11 CA SER A 2 -4.172 -18.136 13.628 1.00 0.00 C ATOM 12 C SER A 2 -4.952 -17.117 12.804 1.00 0.00 C ATOM 13 O SER A 2 -5.292 -16.038 13.292 1.00 0.00 O ATOM 14 CB SER A 2 -4.839 -19.510 13.527 1.00 0.00 C ATOM 15 OG SER A 2 -6.251 -19.397 13.573 1.00 0.00 O ATOM 0 H SER A 2 -3.125 -17.612 15.369 1.00 0.00 H new ATOM 0 HA SER A 2 -3.160 -18.201 13.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.540 -19.995 12.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.495 -20.145 14.343 1.00 0.00 H new ATOM 0 HG SER A 2 -6.522 -19.028 14.440 1.00 0.00 H new ATOM 21 N SER A 3 -5.233 -17.464 11.553 1.00 0.00 N ATOM 22 CA SER A 3 -5.973 -16.579 10.660 1.00 0.00 C ATOM 23 C SER A 3 -5.228 -15.263 10.458 1.00 0.00 C ATOM 24 O SER A 3 -5.121 -14.451 11.377 1.00 0.00 O ATOM 25 CB SER A 3 -7.369 -16.306 11.222 1.00 0.00 C ATOM 26 OG SER A 3 -8.311 -17.238 10.720 1.00 0.00 O ATOM 0 H SER A 3 -4.959 -18.353 11.134 1.00 0.00 H new ATOM 0 HA SER A 3 -6.067 -17.074 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.343 -16.360 12.310 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.679 -15.294 10.960 1.00 0.00 H new ATOM 0 HG SER A 3 -9.195 -17.044 11.095 1.00 0.00 H new ATOM 32 N GLY A 4 -4.715 -15.060 9.249 1.00 0.00 N ATOM 33 CA GLY A 4 -3.987 -13.841 8.948 1.00 0.00 C ATOM 34 C GLY A 4 -3.112 -13.977 7.717 1.00 0.00 C ATOM 35 O GLY A 4 -2.431 -14.986 7.540 1.00 0.00 O ATOM 0 H GLY A 4 -4.790 -15.717 8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.695 -13.026 8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.367 -13.571 9.803 1.00 0.00 H new ATOM 39 N SER A 5 -3.131 -12.957 6.866 1.00 0.00 N ATOM 40 CA SER A 5 -2.334 -12.966 5.644 1.00 0.00 C ATOM 41 C SER A 5 -2.732 -14.131 4.743 1.00 0.00 C ATOM 42 O SER A 5 -1.887 -14.733 4.080 1.00 0.00 O ATOM 43 CB SER A 5 -0.845 -13.054 5.984 1.00 0.00 C ATOM 44 OG SER A 5 -0.450 -11.989 6.830 1.00 0.00 O ATOM 0 H SER A 5 -3.689 -12.114 6.999 1.00 0.00 H new ATOM 0 HA SER A 5 -2.524 -12.036 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.636 -14.006 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.257 -13.030 5.066 1.00 0.00 H new ATOM 0 HG SER A 5 0.505 -12.070 7.033 1.00 0.00 H new ATOM 50 N SER A 6 -4.023 -14.445 4.726 1.00 0.00 N ATOM 51 CA SER A 6 -4.533 -15.538 3.907 1.00 0.00 C ATOM 52 C SER A 6 -5.284 -15.003 2.691 1.00 0.00 C ATOM 53 O SER A 6 -6.488 -14.756 2.754 1.00 0.00 O ATOM 54 CB SER A 6 -5.452 -16.438 4.734 1.00 0.00 C ATOM 55 OG SER A 6 -6.075 -15.709 5.778 1.00 0.00 O ATOM 0 H SER A 6 -4.735 -13.958 5.270 1.00 0.00 H new ATOM 0 HA SER A 6 -3.683 -16.123 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.213 -16.877 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.876 -17.262 5.155 1.00 0.00 H new ATOM 0 HG SER A 6 -6.659 -16.306 6.291 1.00 0.00 H new ATOM 61 N GLY A 7 -4.565 -14.827 1.588 1.00 0.00 N ATOM 62 CA GLY A 7 -5.179 -14.322 0.375 1.00 0.00 C ATOM 63 C GLY A 7 -4.781 -12.892 0.073 1.00 0.00 C ATOM 64 O GLY A 7 -5.594 -12.101 -0.407 1.00 0.00 O ATOM 0 H GLY A 7 -3.567 -15.025 1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.896 -14.959 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.263 -14.381 0.469 1.00 0.00 H new ATOM 68 N VAL A 8 -3.525 -12.558 0.355 1.00 0.00 N ATOM 69 CA VAL A 8 -3.019 -11.212 0.112 1.00 0.00 C ATOM 70 C VAL A 8 -1.911 -11.225 -0.936 1.00 0.00 C ATOM 71 O VAL A 8 -1.830 -10.331 -1.778 1.00 0.00 O ATOM 72 CB VAL A 8 -2.480 -10.571 1.405 1.00 0.00 C ATOM 73 CG1 VAL A 8 -2.103 -9.117 1.166 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.504 -10.684 2.526 1.00 0.00 C ATOM 0 H VAL A 8 -2.840 -13.201 0.752 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.857 -10.620 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.582 -11.111 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.725 -8.682 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.332 -9.063 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.982 -8.562 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.105 -10.226 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.421 -10.172 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.720 -11.735 2.717 1.00 0.00 H new ATOM 84 N SER A 9 -1.059 -12.243 -0.876 1.00 0.00 N ATOM 85 CA SER A 9 0.045 -12.371 -1.821 1.00 0.00 C ATOM 86 C SER A 9 -0.474 -12.532 -3.246 1.00 0.00 C ATOM 87 O SER A 9 0.145 -12.058 -4.199 1.00 0.00 O ATOM 88 CB SER A 9 0.925 -13.566 -1.448 1.00 0.00 C ATOM 89 OG SER A 9 2.106 -13.594 -2.230 1.00 0.00 O ATOM 0 H SER A 9 -1.111 -12.991 -0.184 1.00 0.00 H new ATOM 0 HA SER A 9 0.641 -11.459 -1.772 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.186 -13.513 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.367 -14.491 -1.593 1.00 0.00 H new ATOM 0 HG SER A 9 2.652 -14.366 -1.971 1.00 0.00 H new ATOM 95 N GLN A 10 -1.613 -13.202 -3.384 1.00 0.00 N ATOM 96 CA GLN A 10 -2.214 -13.425 -4.694 1.00 0.00 C ATOM 97 C GLN A 10 -2.591 -12.101 -5.351 1.00 0.00 C ATOM 98 O GLN A 10 -2.363 -11.902 -6.545 1.00 0.00 O ATOM 99 CB GLN A 10 -3.452 -14.314 -4.565 1.00 0.00 C ATOM 100 CG GLN A 10 -3.634 -15.276 -5.729 1.00 0.00 C ATOM 101 CD GLN A 10 -4.924 -16.066 -5.636 1.00 0.00 C ATOM 102 OE1 GLN A 10 -5.344 -16.466 -4.549 1.00 0.00 O ATOM 103 NE2 GLN A 10 -5.561 -16.296 -6.777 1.00 0.00 N ATOM 0 H GLN A 10 -2.138 -13.600 -2.605 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.479 -13.927 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.384 -14.885 -3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.336 -13.682 -4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.622 -14.716 -6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.791 -15.966 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.177 -15.946 -7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.434 -16.823 -6.776 1.00 0.00 H new ATOM 112 N ARG A 11 -3.168 -11.199 -4.565 1.00 0.00 N ATOM 113 CA ARG A 11 -3.577 -9.893 -5.071 1.00 0.00 C ATOM 114 C ARG A 11 -2.373 -9.106 -5.584 1.00 0.00 C ATOM 115 O ARG A 11 -1.234 -9.379 -5.202 1.00 0.00 O ATOM 116 CB ARG A 11 -4.290 -9.099 -3.975 1.00 0.00 C ATOM 117 CG ARG A 11 -5.587 -9.740 -3.506 1.00 0.00 C ATOM 118 CD ARG A 11 -6.766 -9.297 -4.358 1.00 0.00 C ATOM 119 NE ARG A 11 -8.031 -9.387 -3.631 1.00 0.00 N ATOM 120 CZ ARG A 11 -9.225 -9.381 -4.217 1.00 0.00 C ATOM 121 NH1 ARG A 11 -9.323 -9.291 -5.538 1.00 0.00 N ATOM 122 NH2 ARG A 11 -10.325 -9.467 -3.483 1.00 0.00 N ATOM 0 H ARG A 11 -3.363 -11.348 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.265 -10.052 -5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.620 -8.989 -3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.503 -8.096 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.494 -10.825 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.769 -9.475 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.610 -8.270 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.818 -9.915 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.996 -9.459 -2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.480 -9.226 -6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.241 -9.287 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.256 -9.538 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.240 -9.462 -3.933 1.00 0.00 H new ATOM 136 N PRO A 12 -2.610 -8.114 -6.458 1.00 0.00 N ATOM 137 CA PRO A 12 -1.539 -7.286 -7.024 1.00 0.00 C ATOM 138 C PRO A 12 -0.627 -6.704 -5.949 1.00 0.00 C ATOM 139 O PRO A 12 -0.932 -6.774 -4.758 1.00 0.00 O ATOM 140 CB PRO A 12 -2.297 -6.169 -7.744 1.00 0.00 C ATOM 141 CG PRO A 12 -3.617 -6.768 -8.083 1.00 0.00 C ATOM 142 CD PRO A 12 -3.939 -7.721 -6.966 1.00 0.00 C ATOM 0 HA PRO A 12 -0.880 -7.861 -7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.412 -5.293 -7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.767 -5.844 -8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.383 -5.998 -8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.575 -7.288 -9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.540 -7.244 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.504 -8.582 -7.323 1.00 0.00 H new ATOM 150 N PHE A 13 0.492 -6.131 -6.376 1.00 0.00 N ATOM 151 CA PHE A 13 1.450 -5.536 -5.451 1.00 0.00 C ATOM 152 C PHE A 13 1.026 -4.124 -5.063 1.00 0.00 C ATOM 153 O PHE A 13 1.237 -3.690 -3.930 1.00 0.00 O ATOM 154 CB PHE A 13 2.846 -5.511 -6.074 1.00 0.00 C ATOM 155 CG PHE A 13 3.902 -4.959 -5.160 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.342 -5.690 -4.068 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.454 -3.709 -5.391 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.313 -5.186 -3.225 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.426 -3.200 -4.551 1.00 0.00 C ATOM 160 CZ PHE A 13 5.856 -3.939 -3.467 1.00 0.00 C ATOM 0 H PHE A 13 0.759 -6.066 -7.358 1.00 0.00 H new ATOM 0 HA PHE A 13 1.475 -6.148 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.123 -6.524 -6.365 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.818 -4.914 -6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.921 -6.665 -3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.121 -3.126 -6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.647 -5.766 -2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.849 -2.225 -4.742 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.616 -3.543 -2.809 1.00 0.00 H new ATOM 170 N ARG A 14 0.428 -3.409 -6.011 1.00 0.00 N ATOM 171 CA ARG A 14 -0.024 -2.045 -5.768 1.00 0.00 C ATOM 172 C ARG A 14 -1.205 -2.026 -4.801 1.00 0.00 C ATOM 173 O ARG A 14 -1.372 -1.084 -4.027 1.00 0.00 O ATOM 174 CB ARG A 14 -0.416 -1.373 -7.086 1.00 0.00 C ATOM 175 CG ARG A 14 0.127 0.039 -7.235 1.00 0.00 C ATOM 176 CD ARG A 14 -0.289 0.659 -8.559 1.00 0.00 C ATOM 177 NE ARG A 14 0.682 1.644 -9.032 1.00 0.00 N ATOM 178 CZ ARG A 14 0.411 2.573 -9.945 1.00 0.00 C ATOM 179 NH1 ARG A 14 -0.797 2.646 -10.489 1.00 0.00 N ATOM 180 NH2 ARG A 14 1.351 3.430 -10.318 1.00 0.00 N ATOM 0 H ARG A 14 0.246 -3.752 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 14 0.799 -1.491 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.055 -1.981 -7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.503 -1.345 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.234 0.657 -6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.215 0.021 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.403 -0.126 -9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.263 1.135 -8.446 1.00 0.00 H new ATOM 0 HE ARG A 14 1.623 1.618 -8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.524 1.988 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.999 3.360 -11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.282 3.377 -9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.143 4.142 -11.018 1.00 0.00 H new ATOM 194 N ASP A 15 -2.021 -3.075 -4.851 1.00 0.00 N ATOM 195 CA ASP A 15 -3.185 -3.179 -3.979 1.00 0.00 C ATOM 196 C ASP A 15 -2.764 -3.464 -2.541 1.00 0.00 C ATOM 197 O ASP A 15 -3.430 -3.044 -1.594 1.00 0.00 O ATOM 198 CB ASP A 15 -4.123 -4.281 -4.477 1.00 0.00 C ATOM 199 CG ASP A 15 -5.184 -3.752 -5.422 1.00 0.00 C ATOM 200 OD1 ASP A 15 -6.168 -3.156 -4.937 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.031 -3.937 -6.648 1.00 0.00 O ATOM 0 H ASP A 15 -1.897 -3.864 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.712 -2.225 -4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.540 -5.050 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.605 -4.757 -3.623 1.00 0.00 H new ATOM 206 N ARG A 16 -1.655 -4.180 -2.385 1.00 0.00 N ATOM 207 CA ARG A 16 -1.146 -4.521 -1.062 1.00 0.00 C ATOM 208 C ARG A 16 -0.698 -3.271 -0.312 1.00 0.00 C ATOM 209 O ARG A 16 -1.115 -3.034 0.823 1.00 0.00 O ATOM 210 CB ARG A 16 0.021 -5.503 -1.181 1.00 0.00 C ATOM 211 CG ARG A 16 -0.411 -6.961 -1.200 1.00 0.00 C ATOM 212 CD ARG A 16 0.425 -7.776 -2.175 1.00 0.00 C ATOM 213 NE ARG A 16 1.602 -8.359 -1.535 1.00 0.00 N ATOM 214 CZ ARG A 16 2.624 -8.887 -2.203 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.617 -8.911 -3.531 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.656 -9.395 -1.543 1.00 0.00 N ATOM 0 H ARG A 16 -1.092 -4.535 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.953 -4.990 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.577 -5.285 -2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.704 -5.346 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.319 -7.382 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.463 -7.027 -1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.187 -8.571 -2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.740 -7.140 -3.002 1.00 0.00 H new ATOM 0 HE ARG A 16 1.642 -8.361 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.825 -8.523 -4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.403 -9.317 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.666 -9.381 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.440 -9.800 -2.055 1.00 0.00 H new ATOM 230 N VAL A 17 0.153 -2.476 -0.951 1.00 0.00 N ATOM 231 CA VAL A 17 0.657 -1.251 -0.342 1.00 0.00 C ATOM 232 C VAL A 17 -0.420 -0.173 -0.303 1.00 0.00 C ATOM 233 O VAL A 17 -0.488 0.617 0.639 1.00 0.00 O ATOM 234 CB VAL A 17 1.882 -0.709 -1.102 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.513 0.449 -0.344 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.897 -1.817 -1.338 1.00 0.00 C ATOM 0 H VAL A 17 0.508 -2.658 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 17 0.952 -1.503 0.677 1.00 0.00 H new ATOM 0 HB VAL A 17 1.550 -0.339 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.377 0.818 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.784 1.251 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.831 0.108 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.756 -1.415 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.225 -2.220 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.438 -2.611 -1.927 1.00 0.00 H new ATOM 246 N LEU A 18 -1.261 -0.146 -1.332 1.00 0.00 N ATOM 247 CA LEU A 18 -2.336 0.837 -1.413 1.00 0.00 C ATOM 248 C LEU A 18 -3.285 0.704 -0.226 1.00 0.00 C ATOM 249 O LEU A 18 -3.767 1.701 0.310 1.00 0.00 O ATOM 250 CB LEU A 18 -3.111 0.669 -2.722 1.00 0.00 C ATOM 251 CG LEU A 18 -4.309 1.605 -2.891 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.846 2.996 -3.298 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.284 1.043 -3.914 1.00 0.00 C ATOM 0 H LEU A 18 -1.219 -0.792 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.889 1.831 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.426 0.827 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.462 -0.361 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.824 1.683 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.712 3.648 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.188 3.400 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.307 2.938 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.130 1.722 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.781 0.935 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.641 0.069 -3.580 1.00 0.00 H new ATOM 265 N HIS A 19 -3.549 -0.534 0.179 1.00 0.00 N ATOM 266 CA HIS A 19 -4.440 -0.797 1.303 1.00 0.00 C ATOM 267 C HIS A 19 -3.734 -0.535 2.629 1.00 0.00 C ATOM 268 O HIS A 19 -4.357 -0.104 3.600 1.00 0.00 O ATOM 269 CB HIS A 19 -4.941 -2.242 1.254 1.00 0.00 C ATOM 270 CG HIS A 19 -6.182 -2.418 0.436 1.00 0.00 C ATOM 271 ND1 HIS A 19 -6.184 -2.560 -0.934 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.483 -2.473 0.820 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.457 -2.694 -1.332 1.00 0.00 C ATOM 274 NE2 HIS A 19 -8.284 -2.648 -0.305 1.00 0.00 N ATOM 0 H HIS A 19 -3.159 -1.371 -0.254 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.292 -0.121 1.227 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -4.154 -2.877 0.847 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.134 -2.586 2.270 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.362 -2.563 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.840 -2.394 1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.765 -2.823 -2.359 1.00 0.00 H new ATOM 282 N LEU A 20 -2.432 -0.797 2.663 1.00 0.00 N ATOM 283 CA LEU A 20 -1.642 -0.589 3.870 1.00 0.00 C ATOM 284 C LEU A 20 -1.618 0.886 4.258 1.00 0.00 C ATOM 285 O LEU A 20 -1.912 1.243 5.398 1.00 0.00 O ATOM 286 CB LEU A 20 -0.213 -1.098 3.664 1.00 0.00 C ATOM 287 CG LEU A 20 -0.046 -2.614 3.768 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.367 -3.023 3.379 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.372 -3.091 5.174 1.00 0.00 C ATOM 0 H LEU A 20 -1.902 -1.154 1.868 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.107 -1.151 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.133 -0.776 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.435 -0.625 4.402 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.743 -3.085 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.468 -4.105 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.565 -2.715 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.082 -2.542 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.248 -4.172 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.300 -2.612 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.402 -2.831 5.417 1.00 0.00 H new ATOM 301 N LEU A 21 -1.267 1.738 3.300 1.00 0.00 N ATOM 302 CA LEU A 21 -1.206 3.175 3.540 1.00 0.00 C ATOM 303 C LEU A 21 -2.583 3.727 3.894 1.00 0.00 C ATOM 304 O LEU A 21 -2.699 4.706 4.633 1.00 0.00 O ATOM 305 CB LEU A 21 -0.656 3.897 2.308 1.00 0.00 C ATOM 306 CG LEU A 21 0.667 3.347 1.772 1.00 0.00 C ATOM 307 CD1 LEU A 21 0.952 3.903 0.386 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.806 3.676 2.725 1.00 0.00 C ATOM 0 H LEU A 21 -1.021 1.458 2.351 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.537 3.348 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.401 3.847 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.521 4.951 2.553 1.00 0.00 H new ATOM 0 HG LEU A 21 0.585 2.263 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.897 3.501 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.149 3.617 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.015 4.990 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.739 3.277 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.890 4.757 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.606 3.229 3.699 1.00 0.00 H new ATOM 320 N ALA A 22 -3.624 3.094 3.362 1.00 0.00 N ATOM 321 CA ALA A 22 -4.993 3.523 3.623 1.00 0.00 C ATOM 322 C ALA A 22 -5.304 3.499 5.116 1.00 0.00 C ATOM 323 O ALA A 22 -5.881 4.444 5.654 1.00 0.00 O ATOM 324 CB ALA A 22 -5.974 2.641 2.865 1.00 0.00 C ATOM 0 H ALA A 22 -3.545 2.283 2.748 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.097 4.551 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.993 2.972 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.776 2.712 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.857 1.606 3.187 1.00 0.00 H new ATOM 330 N LEU A 23 -4.917 2.415 5.779 1.00 0.00 N ATOM 331 CA LEU A 23 -5.153 2.269 7.211 1.00 0.00 C ATOM 332 C LEU A 23 -4.470 3.387 7.992 1.00 0.00 C ATOM 333 O LEU A 23 -5.091 4.039 8.833 1.00 0.00 O ATOM 334 CB LEU A 23 -4.648 0.909 7.697 1.00 0.00 C ATOM 335 CG LEU A 23 -5.584 -0.268 7.415 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.019 -1.551 8.003 1.00 0.00 C ATOM 337 CD2 LEU A 23 -6.972 0.010 7.974 1.00 0.00 C ATOM 0 H LEU A 23 -4.438 1.624 5.348 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.227 2.333 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.685 0.708 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.474 0.966 8.772 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.666 -0.392 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.698 -2.377 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.046 -1.758 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.907 -1.439 9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.625 -0.837 7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.907 0.160 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.380 0.906 7.507 1.00 0.00 H new ATOM 349 N ARG A 24 -3.191 3.604 7.707 1.00 0.00 N ATOM 350 CA ARG A 24 -2.424 4.645 8.383 1.00 0.00 C ATOM 351 C ARG A 24 -1.049 4.811 7.741 1.00 0.00 C ATOM 352 O ARG A 24 -0.553 3.903 7.072 1.00 0.00 O ATOM 353 CB ARG A 24 -2.271 4.314 9.868 1.00 0.00 C ATOM 354 CG ARG A 24 -1.530 3.013 10.129 1.00 0.00 C ATOM 355 CD ARG A 24 -1.214 2.838 11.606 1.00 0.00 C ATOM 356 NE ARG A 24 -2.426 2.729 12.417 1.00 0.00 N ATOM 357 CZ ARG A 24 -2.460 2.933 13.732 1.00 0.00 C ATOM 358 NH1 ARG A 24 -1.353 3.256 14.389 1.00 0.00 N ATOM 359 NH2 ARG A 24 -3.604 2.813 14.391 1.00 0.00 N ATOM 0 H ARG A 24 -2.663 3.074 7.013 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.968 5.584 8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.741 5.129 10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.260 4.256 10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.133 2.174 9.783 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.604 2.999 9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.605 1.945 11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.621 3.684 11.953 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.297 2.482 11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.470 3.349 13.886 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.385 3.411 15.397 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.457 2.565 13.890 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.631 2.969 15.399 1.00 0.00 H new ATOM 373 N PRO A 25 -0.411 5.978 7.937 1.00 0.00 N ATOM 374 CA PRO A 25 0.913 6.260 7.374 1.00 0.00 C ATOM 375 C PRO A 25 1.926 5.168 7.699 1.00 0.00 C ATOM 376 O PRO A 25 2.129 4.822 8.863 1.00 0.00 O ATOM 377 CB PRO A 25 1.312 7.577 8.043 1.00 0.00 C ATOM 378 CG PRO A 25 0.021 8.230 8.394 1.00 0.00 C ATOM 379 CD PRO A 25 -0.931 7.113 8.722 1.00 0.00 C ATOM 0 HA PRO A 25 0.890 6.310 6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.921 7.402 8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.901 8.200 7.370 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.142 8.902 9.244 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.352 8.830 7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.939 6.893 9.789 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.954 7.361 8.440 1.00 0.00 H new ATOM 387 N TYR A 26 2.561 4.628 6.663 1.00 0.00 N ATOM 388 CA TYR A 26 3.555 3.576 6.839 1.00 0.00 C ATOM 389 C TYR A 26 4.922 4.032 6.337 1.00 0.00 C ATOM 390 O TYR A 26 5.125 4.215 5.137 1.00 0.00 O ATOM 391 CB TYR A 26 3.122 2.308 6.099 1.00 0.00 C ATOM 392 CG TYR A 26 2.465 1.280 6.992 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.209 0.561 7.920 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.102 1.029 6.910 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.613 -0.379 8.739 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.498 0.092 7.726 1.00 0.00 C ATOM 397 CZ TYR A 26 1.257 -0.609 8.638 1.00 0.00 C ATOM 398 OH TYR A 26 0.659 -1.544 9.452 1.00 0.00 O ATOM 0 H TYR A 26 2.404 4.902 5.693 1.00 0.00 H new ATOM 0 HA TYR A 26 3.634 3.357 7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.430 2.581 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.994 1.859 5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.271 0.740 8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.504 1.576 6.196 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.206 -0.930 9.454 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.564 -0.090 7.650 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.300 -1.583 9.255 1.00 0.00 H new ATOM 408 N ARG A 27 5.856 4.213 7.265 1.00 0.00 N ATOM 409 CA ARG A 27 7.203 4.650 6.920 1.00 0.00 C ATOM 410 C ARG A 27 7.867 3.664 5.963 1.00 0.00 C ATOM 411 O ARG A 27 7.352 2.573 5.724 1.00 0.00 O ATOM 412 CB ARG A 27 8.052 4.804 8.183 1.00 0.00 C ATOM 413 CG ARG A 27 7.410 5.681 9.245 1.00 0.00 C ATOM 414 CD ARG A 27 7.687 5.157 10.645 1.00 0.00 C ATOM 415 NE ARG A 27 7.970 6.235 11.588 1.00 0.00 N ATOM 416 CZ ARG A 27 7.954 6.087 12.910 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.667 4.909 13.450 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.226 7.120 13.697 1.00 0.00 N ATOM 0 H ARG A 27 5.704 4.064 8.262 1.00 0.00 H new ATOM 0 HA ARG A 27 7.128 5.617 6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.242 3.817 8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.019 5.226 7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.789 6.699 9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.334 5.726 9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.827 4.586 10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.534 4.471 10.614 1.00 0.00 H new ATOM 0 HE ARG A 27 8.193 7.156 11.211 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.457 4.111 12.851 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.656 4.802 14.464 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.447 8.028 13.288 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.214 7.006 14.711 1.00 0.00 H new ATOM 432 N LYS A 28 9.013 4.059 5.418 1.00 0.00 N ATOM 433 CA LYS A 28 9.748 3.213 4.486 1.00 0.00 C ATOM 434 C LYS A 28 10.243 1.944 5.174 1.00 0.00 C ATOM 435 O LYS A 28 10.090 0.841 4.649 1.00 0.00 O ATOM 436 CB LYS A 28 10.932 3.982 3.892 1.00 0.00 C ATOM 437 CG LYS A 28 11.100 3.778 2.395 1.00 0.00 C ATOM 438 CD LYS A 28 12.461 4.257 1.918 1.00 0.00 C ATOM 439 CE LYS A 28 13.573 3.324 2.374 1.00 0.00 C ATOM 440 NZ LYS A 28 14.030 2.428 1.276 1.00 0.00 N ATOM 0 H LYS A 28 9.453 4.960 5.606 1.00 0.00 H new ATOM 0 HA LYS A 28 9.070 2.926 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.802 5.045 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.847 3.672 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.980 2.722 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.316 4.317 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.464 4.323 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.648 5.261 2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.415 3.913 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.221 2.722 3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.740 1.762 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.218 1.897 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.452 2.998 0.515 1.00 0.00 H new ATOM 454 N ALA A 29 10.836 2.109 6.352 1.00 0.00 N ATOM 455 CA ALA A 29 11.352 0.977 7.112 1.00 0.00 C ATOM 456 C ALA A 29 10.217 0.129 7.675 1.00 0.00 C ATOM 457 O ALA A 29 10.331 -1.093 7.773 1.00 0.00 O ATOM 458 CB ALA A 29 12.256 1.464 8.235 1.00 0.00 C ATOM 0 H ALA A 29 10.971 3.015 6.800 1.00 0.00 H new ATOM 0 HA ALA A 29 11.935 0.353 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.634 0.608 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.093 2.020 7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.689 2.112 8.903 1.00 0.00 H new ATOM 464 N GLU A 30 9.122 0.784 8.044 1.00 0.00 N ATOM 465 CA GLU A 30 7.965 0.090 8.597 1.00 0.00 C ATOM 466 C GLU A 30 7.207 -0.660 7.507 1.00 0.00 C ATOM 467 O GLU A 30 6.649 -1.730 7.748 1.00 0.00 O ATOM 468 CB GLU A 30 7.032 1.084 9.292 1.00 0.00 C ATOM 469 CG GLU A 30 7.254 1.180 10.793 1.00 0.00 C ATOM 470 CD GLU A 30 8.438 2.058 11.151 1.00 0.00 C ATOM 471 OE1 GLU A 30 9.341 2.213 10.302 1.00 0.00 O ATOM 472 OE2 GLU A 30 8.463 2.588 12.281 1.00 0.00 O ATOM 0 H GLU A 30 9.011 1.795 7.970 1.00 0.00 H new ATOM 0 HA GLU A 30 8.323 -0.634 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.170 2.070 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.999 0.792 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.355 1.577 11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.412 0.180 11.198 1.00 0.00 H new ATOM 479 N LEU A 31 7.191 -0.091 6.305 1.00 0.00 N ATOM 480 CA LEU A 31 6.503 -0.707 5.177 1.00 0.00 C ATOM 481 C LEU A 31 7.364 -1.790 4.537 1.00 0.00 C ATOM 482 O LEU A 31 6.848 -2.776 4.009 1.00 0.00 O ATOM 483 CB LEU A 31 6.139 0.354 4.136 1.00 0.00 C ATOM 484 CG LEU A 31 5.352 -0.165 2.931 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.939 -0.549 3.343 1.00 0.00 C ATOM 486 CD2 LEU A 31 5.321 0.880 1.826 1.00 0.00 C ATOM 0 H LEU A 31 7.647 0.795 6.088 1.00 0.00 H new ATOM 0 HA LEU A 31 5.590 -1.170 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.555 1.134 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.057 0.820 3.778 1.00 0.00 H new ATOM 0 HG LEU A 31 5.852 -1.055 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.394 -0.916 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.981 -1.331 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.429 0.324 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.757 0.495 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.844 1.787 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.340 1.108 1.512 1.00 0.00 H new ATOM 498 N LEU A 32 8.678 -1.600 4.587 1.00 0.00 N ATOM 499 CA LEU A 32 9.612 -2.561 4.012 1.00 0.00 C ATOM 500 C LEU A 32 9.566 -3.885 4.768 1.00 0.00 C ATOM 501 O LEU A 32 9.468 -4.953 4.164 1.00 0.00 O ATOM 502 CB LEU A 32 11.034 -1.998 4.034 1.00 0.00 C ATOM 503 CG LEU A 32 11.387 -1.087 2.857 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.751 -0.447 3.069 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.359 -1.868 1.552 1.00 0.00 C ATOM 0 H LEU A 32 9.120 -0.789 5.020 1.00 0.00 H new ATOM 0 HA LEU A 32 9.316 -2.743 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.174 -1.440 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.738 -2.830 4.054 1.00 0.00 H new ATOM 0 HG LEU A 32 10.641 -0.294 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.986 0.198 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.737 0.146 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.509 -1.226 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.612 -1.204 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.083 -2.682 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.362 -2.278 1.395 1.00 0.00 H new ATOM 517 N LEU A 33 9.640 -3.808 6.093 1.00 0.00 N ATOM 518 CA LEU A 33 9.608 -5.000 6.931 1.00 0.00 C ATOM 519 C LEU A 33 8.224 -5.642 6.914 1.00 0.00 C ATOM 520 O LEU A 33 8.093 -6.862 7.010 1.00 0.00 O ATOM 521 CB LEU A 33 10.002 -4.650 8.368 1.00 0.00 C ATOM 522 CG LEU A 33 11.364 -3.971 8.518 1.00 0.00 C ATOM 523 CD1 LEU A 33 11.561 -3.478 9.944 1.00 0.00 C ATOM 524 CD2 LEU A 33 12.482 -4.925 8.124 1.00 0.00 C ATOM 0 H LEU A 33 9.723 -2.932 6.609 1.00 0.00 H new ATOM 0 HA LEU A 33 10.325 -5.715 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.238 -3.996 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.001 -5.564 8.962 1.00 0.00 H new ATOM 0 HG LEU A 33 11.394 -3.110 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.536 -2.998 10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.779 -2.760 10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.510 -4.322 10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.444 -4.425 8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.453 -5.805 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.351 -5.230 7.086 1.00 0.00 H new ATOM 536 N ARG A 34 7.193 -4.812 6.790 1.00 0.00 N ATOM 537 CA ARG A 34 5.820 -5.298 6.761 1.00 0.00 C ATOM 538 C ARG A 34 5.604 -6.247 5.584 1.00 0.00 C ATOM 539 O ARG A 34 5.221 -7.402 5.768 1.00 0.00 O ATOM 540 CB ARG A 34 4.841 -4.123 6.673 1.00 0.00 C ATOM 541 CG ARG A 34 3.909 -4.018 7.869 1.00 0.00 C ATOM 542 CD ARG A 34 2.990 -5.225 7.969 1.00 0.00 C ATOM 543 NE ARG A 34 1.585 -4.836 8.064 1.00 0.00 N ATOM 544 CZ ARG A 34 0.577 -5.704 8.103 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.813 -7.010 8.055 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.672 -5.267 8.191 1.00 0.00 N ATOM 0 H ARG A 34 7.284 -3.799 6.708 1.00 0.00 H new ATOM 0 HA ARG A 34 5.635 -5.846 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.406 -3.196 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.245 -4.224 5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.497 -3.931 8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.311 -3.110 7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.132 -5.862 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.262 -5.817 8.843 1.00 0.00 H new ATOM 0 HE ARG A 34 1.364 -3.841 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.771 -7.353 7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.036 -7.670 8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.860 -4.265 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.444 -5.933 8.221 1.00 0.00 H new ATOM 560 N LEU A 35 5.854 -5.750 4.377 1.00 0.00 N ATOM 561 CA LEU A 35 5.687 -6.553 3.171 1.00 0.00 C ATOM 562 C LEU A 35 6.584 -7.787 3.210 1.00 0.00 C ATOM 563 O LEU A 35 6.242 -8.832 2.657 1.00 0.00 O ATOM 564 CB LEU A 35 6.005 -5.718 1.928 1.00 0.00 C ATOM 565 CG LEU A 35 5.173 -4.444 1.775 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.919 -3.417 0.938 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.822 -4.762 1.153 1.00 0.00 C ATOM 0 H LEU A 35 6.173 -4.796 4.208 1.00 0.00 H new ATOM 0 HA LEU A 35 4.649 -6.881 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.060 -5.444 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.857 -6.339 1.044 1.00 0.00 H new ATOM 0 HG LEU A 35 5.004 -4.021 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.312 -2.517 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.862 -3.167 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.119 -3.829 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.243 -3.844 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.970 -5.208 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.283 -5.462 1.792 1.00 0.00 H new ATOM 579 N GLN A 36 7.732 -7.658 3.868 1.00 0.00 N ATOM 580 CA GLN A 36 8.675 -8.763 3.979 1.00 0.00 C ATOM 581 C GLN A 36 8.037 -9.954 4.688 1.00 0.00 C ATOM 582 O GLN A 36 8.367 -11.107 4.408 1.00 0.00 O ATOM 583 CB GLN A 36 9.931 -8.314 4.733 1.00 0.00 C ATOM 584 CG GLN A 36 11.215 -8.498 3.939 1.00 0.00 C ATOM 585 CD GLN A 36 12.398 -8.853 4.819 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.348 -9.810 5.590 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.470 -8.078 4.707 1.00 0.00 N ATOM 0 H GLN A 36 8.030 -6.800 4.332 1.00 0.00 H new ATOM 0 HA GLN A 36 8.956 -9.073 2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.827 -7.263 5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.006 -8.875 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.070 -9.283 3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.435 -7.581 3.393 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.467 -7.295 4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.297 -8.266 5.274 1.00 0.00 H new ATOM 596 N LYS A 37 7.121 -9.667 5.607 1.00 0.00 N ATOM 597 CA LYS A 37 6.435 -10.714 6.356 1.00 0.00 C ATOM 598 C LYS A 37 5.539 -11.541 5.440 1.00 0.00 C ATOM 599 O LYS A 37 5.333 -12.733 5.668 1.00 0.00 O ATOM 600 CB LYS A 37 5.603 -10.102 7.485 1.00 0.00 C ATOM 601 CG LYS A 37 6.431 -9.335 8.504 1.00 0.00 C ATOM 602 CD LYS A 37 6.111 -9.767 9.928 1.00 0.00 C ATOM 603 CE LYS A 37 7.240 -10.586 10.531 1.00 0.00 C ATOM 604 NZ LYS A 37 7.124 -10.684 12.013 1.00 0.00 N ATOM 0 H LYS A 37 6.836 -8.718 5.851 1.00 0.00 H new ATOM 0 HA LYS A 37 7.190 -11.372 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.859 -9.431 7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.058 -10.896 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.491 -9.493 8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.242 -8.267 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.930 -8.886 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.192 -10.353 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.233 -11.587 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.197 -10.133 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.912 -11.250 12.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.156 -9.731 12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.223 -11.140 12.261 1.00 0.00 H new ATOM 618 N ASP A 38 5.009 -10.900 4.403 1.00 0.00 N ATOM 619 CA ASP A 38 4.136 -11.578 3.452 1.00 0.00 C ATOM 620 C ASP A 38 4.947 -12.227 2.335 1.00 0.00 C ATOM 621 O ASP A 38 4.664 -13.352 1.922 1.00 0.00 O ATOM 622 CB ASP A 38 3.129 -10.590 2.859 1.00 0.00 C ATOM 623 CG ASP A 38 2.127 -10.100 3.886 1.00 0.00 C ATOM 624 OD1 ASP A 38 2.491 -9.228 4.702 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.978 -10.590 3.874 1.00 0.00 O ATOM 0 H ASP A 38 5.169 -9.913 4.200 1.00 0.00 H new ATOM 0 HA ASP A 38 3.597 -12.360 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.664 -9.737 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.598 -11.067 2.036 1.00 0.00 H new ATOM 630 N GLY A 39 5.956 -11.511 1.851 1.00 0.00 N ATOM 631 CA GLY A 39 6.793 -12.035 0.788 1.00 0.00 C ATOM 632 C GLY A 39 7.384 -10.941 -0.079 1.00 0.00 C ATOM 633 O GLY A 39 6.952 -10.738 -1.213 1.00 0.00 O ATOM 0 H GLY A 39 6.209 -10.578 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.600 -12.625 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.205 -12.709 0.166 1.00 0.00 H new ATOM 637 N LEU A 40 8.374 -10.234 0.456 1.00 0.00 N ATOM 638 CA LEU A 40 9.026 -9.155 -0.278 1.00 0.00 C ATOM 639 C LEU A 40 10.448 -9.543 -0.666 1.00 0.00 C ATOM 640 O LEU A 40 11.187 -10.118 0.133 1.00 0.00 O ATOM 641 CB LEU A 40 9.044 -7.876 0.561 1.00 0.00 C ATOM 642 CG LEU A 40 9.534 -6.627 -0.175 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.382 -5.947 -0.897 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.202 -5.664 0.795 1.00 0.00 C ATOM 0 H LEU A 40 8.742 -10.389 1.395 1.00 0.00 H new ATOM 0 HA LEU A 40 8.457 -8.974 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.036 -7.689 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.679 -8.039 1.431 1.00 0.00 H new ATOM 0 HG LEU A 40 10.271 -6.932 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.749 -5.061 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.949 -6.637 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.621 -5.655 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.544 -4.782 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.487 -5.365 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.054 -6.154 1.266 1.00 0.00 H new ATOM 656 N THR A 41 10.827 -9.222 -1.899 1.00 0.00 N ATOM 657 CA THR A 41 12.162 -9.535 -2.396 1.00 0.00 C ATOM 658 C THR A 41 12.863 -8.274 -2.889 1.00 0.00 C ATOM 659 O THR A 41 12.243 -7.220 -3.024 1.00 0.00 O ATOM 660 CB THR A 41 12.077 -10.563 -3.526 1.00 0.00 C ATOM 661 OG1 THR A 41 13.372 -10.905 -3.993 1.00 0.00 O ATOM 662 CG2 THR A 41 11.270 -10.085 -4.713 1.00 0.00 C ATOM 0 H THR A 41 10.228 -8.745 -2.573 1.00 0.00 H new ATOM 0 HA THR A 41 12.743 -9.956 -1.576 1.00 0.00 H new ATOM 0 HB THR A 41 11.574 -11.427 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.627 -10.301 -4.721 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.251 -10.862 -5.477 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.251 -9.863 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.726 -9.184 -5.124 1.00 0.00 H new ATOM 670 N GLN A 42 14.162 -8.389 -3.155 1.00 0.00 N ATOM 671 CA GLN A 42 14.948 -7.255 -3.633 1.00 0.00 C ATOM 672 C GLN A 42 14.311 -6.633 -4.874 1.00 0.00 C ATOM 673 O GLN A 42 14.433 -5.431 -5.109 1.00 0.00 O ATOM 674 CB GLN A 42 16.380 -7.699 -3.946 1.00 0.00 C ATOM 675 CG GLN A 42 17.377 -7.344 -2.855 1.00 0.00 C ATOM 676 CD GLN A 42 18.252 -6.162 -3.226 1.00 0.00 C ATOM 677 OE1 GLN A 42 19.479 -6.245 -3.181 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.623 -5.053 -3.596 1.00 0.00 N ATOM 0 H GLN A 42 14.691 -9.254 -3.048 1.00 0.00 H new ATOM 0 HA GLN A 42 14.971 -6.502 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.392 -8.778 -4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.698 -7.239 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.838 -7.118 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.008 -8.208 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.604 -5.028 -3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.159 -4.226 -3.857 1.00 0.00 H new ATOM 687 N ALA A 43 13.631 -7.459 -5.661 1.00 0.00 N ATOM 688 CA ALA A 43 12.973 -6.990 -6.874 1.00 0.00 C ATOM 689 C ALA A 43 11.771 -6.113 -6.543 1.00 0.00 C ATOM 690 O ALA A 43 11.460 -5.169 -7.268 1.00 0.00 O ATOM 691 CB ALA A 43 12.548 -8.171 -7.734 1.00 0.00 C ATOM 0 H ALA A 43 13.521 -8.457 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 43 13.686 -6.385 -7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.058 -7.806 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.426 -8.756 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.855 -8.799 -7.173 1.00 0.00 H new ATOM 697 N ASP A 44 11.098 -6.432 -5.441 1.00 0.00 N ATOM 698 CA ASP A 44 9.930 -5.673 -5.012 1.00 0.00 C ATOM 699 C ASP A 44 10.345 -4.405 -4.272 1.00 0.00 C ATOM 700 O ASP A 44 9.647 -3.392 -4.318 1.00 0.00 O ATOM 701 CB ASP A 44 9.039 -6.534 -4.114 1.00 0.00 C ATOM 702 CG ASP A 44 8.549 -7.786 -4.814 1.00 0.00 C ATOM 703 OD1 ASP A 44 8.445 -7.769 -6.058 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.269 -8.785 -4.117 1.00 0.00 O ATOM 0 H ASP A 44 11.342 -7.211 -4.830 1.00 0.00 H new ATOM 0 HA ASP A 44 9.369 -5.385 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.594 -6.815 -3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.182 -5.946 -3.786 1.00 0.00 H new ATOM 709 N LYS A 45 11.484 -4.470 -3.591 1.00 0.00 N ATOM 710 CA LYS A 45 11.992 -3.327 -2.841 1.00 0.00 C ATOM 711 C LYS A 45 12.231 -2.132 -3.761 1.00 0.00 C ATOM 712 O LYS A 45 11.742 -1.033 -3.506 1.00 0.00 O ATOM 713 CB LYS A 45 13.288 -3.701 -2.119 1.00 0.00 C ATOM 714 CG LYS A 45 13.090 -4.037 -0.649 1.00 0.00 C ATOM 715 CD LYS A 45 14.415 -4.312 0.043 1.00 0.00 C ATOM 716 CE LYS A 45 15.211 -3.033 0.252 1.00 0.00 C ATOM 717 NZ LYS A 45 16.675 -3.295 0.340 1.00 0.00 N ATOM 0 H LYS A 45 12.073 -5.302 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 45 11.241 -3.046 -2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.740 -4.556 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.993 -2.873 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.583 -3.211 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.443 -4.909 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.232 -4.789 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.000 -5.012 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.015 -2.345 -0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.875 -2.542 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.180 -2.397 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.866 -3.931 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.002 -3.740 -0.541 1.00 0.00 H new ATOM 731 N ASP A 46 12.989 -2.357 -4.830 1.00 0.00 N ATOM 732 CA ASP A 46 13.293 -1.299 -5.787 1.00 0.00 C ATOM 733 C ASP A 46 12.015 -0.737 -6.402 1.00 0.00 C ATOM 734 O ASP A 46 11.934 0.451 -6.715 1.00 0.00 O ATOM 735 CB ASP A 46 14.217 -1.827 -6.887 1.00 0.00 C ATOM 736 CG ASP A 46 15.656 -1.395 -6.688 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.875 -0.301 -6.129 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.564 -2.152 -7.092 1.00 0.00 O ATOM 0 H ASP A 46 13.403 -3.261 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 46 13.800 -0.495 -5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.167 -2.916 -6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.864 -1.472 -7.855 1.00 0.00 H new ATOM 743 N ALA A 47 11.018 -1.599 -6.573 1.00 0.00 N ATOM 744 CA ALA A 47 9.744 -1.189 -7.149 1.00 0.00 C ATOM 745 C ALA A 47 8.890 -0.449 -6.126 1.00 0.00 C ATOM 746 O ALA A 47 8.070 0.398 -6.482 1.00 0.00 O ATOM 747 CB ALA A 47 8.995 -2.399 -7.688 1.00 0.00 C ATOM 0 H ALA A 47 11.069 -2.586 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 47 9.950 -0.505 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.045 -2.078 -8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.594 -2.884 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.809 -3.103 -6.877 1.00 0.00 H new ATOM 753 N LEU A 48 9.086 -0.773 -4.851 1.00 0.00 N ATOM 754 CA LEU A 48 8.332 -0.138 -3.775 1.00 0.00 C ATOM 755 C LEU A 48 8.710 1.333 -3.641 1.00 0.00 C ATOM 756 O LEU A 48 7.851 2.189 -3.430 1.00 0.00 O ATOM 757 CB LEU A 48 8.582 -0.864 -2.452 1.00 0.00 C ATOM 758 CG LEU A 48 7.649 -0.466 -1.308 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.206 -0.796 -1.659 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.059 -1.163 -0.020 1.00 0.00 C ATOM 0 H LEU A 48 9.760 -1.471 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 48 7.272 -0.201 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.488 -1.937 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.611 -0.679 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 48 7.728 0.610 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.555 -0.506 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.917 -0.251 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.111 -1.867 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.384 -0.868 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.008 -2.243 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.079 -0.878 0.239 1.00 0.00 H new ATOM 772 N ASP A 49 10.002 1.622 -3.766 1.00 0.00 N ATOM 773 CA ASP A 49 10.494 2.991 -3.658 1.00 0.00 C ATOM 774 C ASP A 49 9.851 3.885 -4.713 1.00 0.00 C ATOM 775 O ASP A 49 9.525 5.042 -4.447 1.00 0.00 O ATOM 776 CB ASP A 49 12.018 3.019 -3.803 1.00 0.00 C ATOM 777 CG ASP A 49 12.700 3.672 -2.618 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.870 2.994 -1.583 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.066 4.862 -2.725 1.00 0.00 O ATOM 0 H ASP A 49 10.727 0.926 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 49 10.224 3.373 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.388 2.000 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.284 3.557 -4.713 1.00 0.00 H new ATOM 784 N GLY A 50 9.670 3.340 -5.912 1.00 0.00 N ATOM 785 CA GLY A 50 9.066 4.101 -6.990 1.00 0.00 C ATOM 786 C GLY A 50 7.552 4.118 -6.910 1.00 0.00 C ATOM 787 O GLY A 50 6.909 5.057 -7.380 1.00 0.00 O ATOM 0 H GLY A 50 9.931 2.385 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.440 5.125 -6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.372 3.676 -7.946 1.00 0.00 H new ATOM 791 N LEU A 51 6.980 3.075 -6.316 1.00 0.00 N ATOM 792 CA LEU A 51 5.532 2.973 -6.178 1.00 0.00 C ATOM 793 C LEU A 51 5.018 3.933 -5.110 1.00 0.00 C ATOM 794 O LEU A 51 3.979 4.571 -5.283 1.00 0.00 O ATOM 795 CB LEU A 51 5.133 1.539 -5.824 1.00 0.00 C ATOM 796 CG LEU A 51 3.785 1.084 -6.394 1.00 0.00 C ATOM 797 CD1 LEU A 51 3.992 0.143 -7.570 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.946 0.413 -5.315 1.00 0.00 C ATOM 0 H LEU A 51 7.497 2.289 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 51 5.081 3.244 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.909 0.863 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.103 1.443 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 51 3.249 1.964 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.024 -0.169 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.551 0.656 -8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.550 -0.734 -7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.993 0.097 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.478 -0.457 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.766 1.118 -4.503 1.00 0.00 H new ATOM 810 N LEU A 52 5.750 4.031 -4.006 1.00 0.00 N ATOM 811 CA LEU A 52 5.368 4.913 -2.909 1.00 0.00 C ATOM 812 C LEU A 52 5.279 6.361 -3.380 1.00 0.00 C ATOM 813 O LEU A 52 4.415 7.117 -2.934 1.00 0.00 O ATOM 814 CB LEU A 52 6.371 4.798 -1.760 1.00 0.00 C ATOM 815 CG LEU A 52 6.236 3.534 -0.908 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.471 3.344 -0.040 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.984 3.602 -0.048 1.00 0.00 C ATOM 0 H LEU A 52 6.612 3.510 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 52 4.384 4.605 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.379 4.834 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.260 5.668 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 52 6.148 2.676 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.359 2.441 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.352 3.251 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.589 4.204 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.904 2.695 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.042 4.468 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.107 3.692 -0.689 1.00 0.00 H new ATOM 829 N GLN A 53 6.176 6.741 -4.282 1.00 0.00 N ATOM 830 CA GLN A 53 6.199 8.099 -4.812 1.00 0.00 C ATOM 831 C GLN A 53 5.025 8.339 -5.759 1.00 0.00 C ATOM 832 O GLN A 53 4.620 9.480 -5.982 1.00 0.00 O ATOM 833 CB GLN A 53 7.518 8.363 -5.540 1.00 0.00 C ATOM 834 CG GLN A 53 8.729 8.370 -4.622 1.00 0.00 C ATOM 835 CD GLN A 53 9.754 9.415 -5.017 1.00 0.00 C ATOM 836 OE1 GLN A 53 9.987 9.656 -6.202 1.00 0.00 O ATOM 837 NE2 GLN A 53 10.372 10.042 -4.023 1.00 0.00 N ATOM 0 H GLN A 53 6.897 6.128 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 53 6.110 8.789 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.659 7.602 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.455 9.323 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.403 8.555 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.196 7.385 -4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.147 9.810 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.072 10.756 -4.227 1.00 0.00 H new ATOM 846 N GLN A 54 4.485 7.258 -6.316 1.00 0.00 N ATOM 847 CA GLN A 54 3.361 7.359 -7.241 1.00 0.00 C ATOM 848 C GLN A 54 2.031 7.229 -6.504 1.00 0.00 C ATOM 849 O GLN A 54 1.128 8.046 -6.686 1.00 0.00 O ATOM 850 CB GLN A 54 3.468 6.281 -8.322 1.00 0.00 C ATOM 851 CG GLN A 54 3.216 6.802 -9.727 1.00 0.00 C ATOM 852 CD GLN A 54 1.746 6.790 -10.099 1.00 0.00 C ATOM 853 OE1 GLN A 54 0.895 6.404 -9.297 1.00 0.00 O ATOM 854 NE2 GLN A 54 1.440 7.214 -11.319 1.00 0.00 N ATOM 0 H GLN A 54 4.807 6.306 -6.143 1.00 0.00 H new ATOM 0 HA GLN A 54 3.397 8.342 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.462 5.835 -8.282 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.753 5.487 -8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.599 7.819 -9.807 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.773 6.195 -10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.178 7.525 -11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.467 7.229 -11.625 1.00 0.00 H new ATOM 863 N VAL A 55 1.914 6.195 -5.677 1.00 0.00 N ATOM 864 CA VAL A 55 0.691 5.959 -4.918 1.00 0.00 C ATOM 865 C VAL A 55 0.860 6.355 -3.455 1.00 0.00 C ATOM 866 O VAL A 55 0.263 5.747 -2.565 1.00 0.00 O ATOM 867 CB VAL A 55 0.262 4.482 -4.992 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.117 4.105 -6.416 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.368 3.577 -4.469 1.00 0.00 C ATOM 0 H VAL A 55 2.650 5.508 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.083 6.580 -5.369 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.616 4.347 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.417 3.058 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.945 4.730 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.740 4.257 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.046 2.537 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.266 3.715 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.585 3.830 -3.431 1.00 0.00 H new ATOM 879 N ALA A 56 1.675 7.376 -3.211 1.00 0.00 N ATOM 880 CA ALA A 56 1.919 7.852 -1.854 1.00 0.00 C ATOM 881 C ALA A 56 2.835 9.070 -1.854 1.00 0.00 C ATOM 882 O ALA A 56 3.339 9.480 -2.900 1.00 0.00 O ATOM 883 CB ALA A 56 2.513 6.739 -1.002 1.00 0.00 C ATOM 0 H ALA A 56 2.178 7.890 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 56 0.963 8.152 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.690 7.109 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.819 5.899 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.456 6.411 -1.438 1.00 0.00 H new ATOM 889 N ASN A 57 3.049 9.644 -0.675 1.00 0.00 N ATOM 890 CA ASN A 57 3.907 10.815 -0.538 1.00 0.00 C ATOM 891 C ASN A 57 4.810 10.689 0.685 1.00 0.00 C ATOM 892 O ASN A 57 4.398 10.169 1.722 1.00 0.00 O ATOM 893 CB ASN A 57 3.060 12.085 -0.432 1.00 0.00 C ATOM 894 CG ASN A 57 2.530 12.540 -1.778 1.00 0.00 C ATOM 895 OD1 ASN A 57 3.252 12.542 -2.775 1.00 0.00 O ATOM 896 ND2 ASN A 57 1.260 12.931 -1.812 1.00 0.00 N ATOM 0 H ASN A 57 2.640 9.317 0.200 1.00 0.00 H new ATOM 0 HA ASN A 57 4.536 10.879 -1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.223 11.905 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.659 12.882 0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.848 13.249 -2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.698 12.913 -0.961 1.00 0.00 H new ATOM 903 N MET A 58 6.042 11.169 0.556 1.00 0.00 N ATOM 904 CA MET A 58 7.003 11.110 1.652 1.00 0.00 C ATOM 905 C MET A 58 7.132 12.466 2.336 1.00 0.00 C ATOM 906 O MET A 58 6.985 13.511 1.701 1.00 0.00 O ATOM 907 CB MET A 58 8.369 10.655 1.135 1.00 0.00 C ATOM 908 CG MET A 58 9.136 9.789 2.122 1.00 0.00 C ATOM 909 SD MET A 58 10.670 9.142 1.431 1.00 0.00 S ATOM 910 CE MET A 58 10.167 7.482 0.984 1.00 0.00 C ATOM 0 H MET A 58 6.399 11.603 -0.295 1.00 0.00 H new ATOM 0 HA MET A 58 6.639 10.388 2.383 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.230 10.099 0.208 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.968 11.533 0.893 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.362 10.374 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.505 8.958 2.437 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.011 6.953 0.542 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.832 6.951 1.875 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.351 7.531 0.263 1.00 0.00 H new ATOM 920 N SER A 59 7.406 12.443 3.637 1.00 0.00 N ATOM 921 CA SER A 59 7.555 13.672 4.409 1.00 0.00 C ATOM 922 C SER A 59 9.002 14.151 4.396 1.00 0.00 C ATOM 923 O SER A 59 9.932 13.347 4.332 1.00 0.00 O ATOM 924 CB SER A 59 7.090 13.453 5.850 1.00 0.00 C ATOM 925 OG SER A 59 6.423 14.599 6.351 1.00 0.00 O ATOM 0 H SER A 59 7.529 11.587 4.178 1.00 0.00 H new ATOM 0 HA SER A 59 6.934 14.439 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.423 12.592 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.948 13.223 6.481 1.00 0.00 H new ATOM 0 HG SER A 59 6.134 14.433 7.273 1.00 0.00 H new ATOM 931 N ALA A 60 9.186 15.466 4.458 1.00 0.00 N ATOM 932 CA ALA A 60 10.520 16.052 4.454 1.00 0.00 C ATOM 933 C ALA A 60 10.978 16.385 5.870 1.00 0.00 C ATOM 934 O ALA A 60 11.605 17.418 6.104 1.00 0.00 O ATOM 935 CB ALA A 60 10.546 17.298 3.581 1.00 0.00 C ATOM 0 H ALA A 60 8.427 16.146 4.512 1.00 0.00 H new ATOM 0 HA ALA A 60 11.212 15.318 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.549 17.726 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.271 17.033 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.837 18.029 3.970 1.00 0.00 H new ATOM 941 N LYS A 61 10.660 15.503 6.813 1.00 0.00 N ATOM 942 CA LYS A 61 11.038 15.704 8.206 1.00 0.00 C ATOM 943 C LYS A 61 11.314 14.370 8.893 1.00 0.00 C ATOM 944 O LYS A 61 12.349 14.193 9.535 1.00 0.00 O ATOM 945 CB LYS A 61 9.937 16.460 8.951 1.00 0.00 C ATOM 946 CG LYS A 61 10.181 17.957 9.042 1.00 0.00 C ATOM 947 CD LYS A 61 9.414 18.713 7.968 1.00 0.00 C ATOM 948 CE LYS A 61 9.021 20.104 8.438 1.00 0.00 C ATOM 949 NZ LYS A 61 7.590 20.168 8.845 1.00 0.00 N ATOM 0 H LYS A 61 10.141 14.643 6.637 1.00 0.00 H new ATOM 0 HA LYS A 61 11.952 16.297 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.985 16.285 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.846 16.053 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.881 18.316 10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.247 18.160 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.026 18.791 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.519 18.153 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.651 20.395 9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.204 20.823 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.361 21.133 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.987 19.915 8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.421 19.501 9.625 1.00 0.00 H new ATOM 963 N ASP A 62 10.380 13.434 8.754 1.00 0.00 N ATOM 964 CA ASP A 62 10.522 12.115 9.361 1.00 0.00 C ATOM 965 C ASP A 62 10.764 11.049 8.298 1.00 0.00 C ATOM 966 O ASP A 62 11.758 10.325 8.345 1.00 0.00 O ATOM 967 CB ASP A 62 9.274 11.768 10.175 1.00 0.00 C ATOM 968 CG ASP A 62 9.607 11.055 11.470 1.00 0.00 C ATOM 969 OD1 ASP A 62 10.669 11.354 12.056 1.00 0.00 O ATOM 970 OD2 ASP A 62 8.807 10.197 11.899 1.00 0.00 O ATOM 0 H ASP A 62 9.517 13.565 8.226 1.00 0.00 H new ATOM 0 HA ASP A 62 11.385 12.140 10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.724 12.682 10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.616 11.138 9.576 1.00 0.00 H new ATOM 975 N GLY A 63 9.847 10.957 7.339 1.00 0.00 N ATOM 976 CA GLY A 63 9.978 9.977 6.278 1.00 0.00 C ATOM 977 C GLY A 63 8.853 8.961 6.284 1.00 0.00 C ATOM 978 O GLY A 63 9.081 7.770 6.075 1.00 0.00 O ATOM 0 H GLY A 63 9.015 11.545 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.996 10.488 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.931 9.459 6.382 1.00 0.00 H new ATOM 982 N THR A 64 7.634 9.433 6.523 1.00 0.00 N ATOM 983 CA THR A 64 6.467 8.557 6.556 1.00 0.00 C ATOM 984 C THR A 64 5.714 8.605 5.230 1.00 0.00 C ATOM 985 O THR A 64 5.437 9.682 4.701 1.00 0.00 O ATOM 986 CB THR A 64 5.535 8.958 7.699 1.00 0.00 C ATOM 987 OG1 THR A 64 6.245 9.658 8.705 1.00 0.00 O ATOM 988 CG2 THR A 64 4.852 7.778 8.356 1.00 0.00 C ATOM 0 H THR A 64 7.428 10.417 6.697 1.00 0.00 H new ATOM 0 HA THR A 64 6.814 7.537 6.720 1.00 0.00 H new ATOM 0 HB THR A 64 4.774 9.590 7.242 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.630 9.907 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.205 8.133 9.159 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.254 7.246 7.616 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.604 7.105 8.767 1.00 0.00 H new ATOM 996 N CYS A 65 5.385 7.431 4.699 1.00 0.00 N ATOM 997 CA CYS A 65 4.664 7.340 3.435 1.00 0.00 C ATOM 998 C CYS A 65 3.159 7.448 3.659 1.00 0.00 C ATOM 999 O CYS A 65 2.529 6.521 4.169 1.00 0.00 O ATOM 1000 CB CYS A 65 4.993 6.024 2.729 1.00 0.00 C ATOM 1001 SG CYS A 65 6.756 5.626 2.691 1.00 0.00 S ATOM 0 H CYS A 65 5.606 6.531 5.124 1.00 0.00 H new ATOM 0 HA CYS A 65 4.980 8.171 2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.460 5.214 3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.620 6.070 1.706 1.00 0.00 H new ATOM 0 HG CYS A 65 6.908 4.337 2.625 1.00 0.00 H new ATOM 1007 N THR A 66 2.587 8.584 3.274 1.00 0.00 N ATOM 1008 CA THR A 66 1.156 8.812 3.433 1.00 0.00 C ATOM 1009 C THR A 66 0.422 8.601 2.113 1.00 0.00 C ATOM 1010 O THR A 66 0.961 8.874 1.040 1.00 0.00 O ATOM 1011 CB THR A 66 0.899 10.227 3.954 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.901 11.119 3.500 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.858 10.310 5.464 1.00 0.00 C ATOM 0 H THR A 66 3.093 9.361 2.849 1.00 0.00 H new ATOM 0 HA THR A 66 0.776 8.092 4.158 1.00 0.00 H new ATOM 0 HB THR A 66 -0.081 10.505 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.718 12.019 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.672 11.340 5.767 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.060 9.671 5.842 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.812 9.978 5.873 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.810 8.113 2.200 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.620 7.865 1.013 1.00 0.00 C ATOM 1023 C LEU A 67 -2.288 9.148 0.532 1.00 0.00 C ATOM 1024 O LEU A 67 -2.545 10.059 1.319 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.681 6.802 1.306 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.337 6.182 0.072 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.443 5.105 -0.523 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.702 5.611 0.425 1.00 0.00 C ATOM 0 H LEU A 67 -1.270 7.881 3.080 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.961 7.502 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.223 6.006 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.459 7.248 1.926 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.475 6.964 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.926 4.675 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.488 5.544 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.273 4.323 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.155 5.174 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.588 4.842 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.343 6.407 0.804 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.567 9.213 -0.767 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.207 10.386 -1.352 1.00 0.00 C ATOM 1042 C GLN A 68 -4.712 10.359 -1.114 1.00 0.00 C ATOM 1043 O GLN A 68 -5.237 9.428 -0.504 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.918 10.454 -2.853 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.463 10.184 -3.205 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.103 10.658 -4.600 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.973 11.049 -5.379 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.185 10.623 -4.923 1.00 0.00 N ATOM 0 H GLN A 68 -2.360 8.468 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.797 11.273 -0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.549 9.730 -3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.196 11.441 -3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.819 10.681 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.266 9.115 -3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.872 10.291 -4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.487 10.928 -5.848 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.402 11.385 -1.598 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.848 11.479 -1.437 1.00 0.00 C ATOM 1059 C ASP A 69 -7.571 10.823 -2.609 1.00 0.00 C ATOM 1060 O ASP A 69 -8.650 10.252 -2.446 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.275 12.942 -1.313 1.00 0.00 C ATOM 1062 CG ASP A 69 -8.390 13.136 -0.304 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -9.442 12.479 -0.448 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -8.210 13.946 0.630 1.00 0.00 O ATOM 0 H ASP A 69 -4.983 12.164 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.121 10.950 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.415 13.545 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.603 13.306 -2.287 1.00 0.00 H new ATOM 1069 N CYS A 70 -6.967 10.904 -3.790 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.553 10.318 -4.990 1.00 0.00 C ATOM 1071 C CYS A 70 -7.288 8.817 -5.047 1.00 0.00 C ATOM 1072 O CYS A 70 -8.098 8.052 -5.570 1.00 0.00 O ATOM 1073 CB CYS A 70 -6.990 10.994 -6.241 1.00 0.00 C ATOM 1074 SG CYS A 70 -7.932 12.439 -6.786 1.00 0.00 S ATOM 0 H CYS A 70 -6.072 11.370 -3.942 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.631 10.478 -4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.961 11.297 -6.046 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.960 10.266 -7.052 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.378 12.943 -7.848 1.00 0.00 H new ATOM 1080 N MET A 71 -6.147 8.402 -4.503 1.00 0.00 N ATOM 1081 CA MET A 71 -5.775 6.992 -4.491 1.00 0.00 C ATOM 1082 C MET A 71 -6.757 6.174 -3.657 1.00 0.00 C ATOM 1083 O MET A 71 -6.942 4.980 -3.895 1.00 0.00 O ATOM 1084 CB MET A 71 -4.357 6.822 -3.942 1.00 0.00 C ATOM 1085 CG MET A 71 -3.283 7.408 -4.844 1.00 0.00 C ATOM 1086 SD MET A 71 -3.312 6.707 -6.505 1.00 0.00 S ATOM 1087 CE MET A 71 -3.397 4.956 -6.132 1.00 0.00 C ATOM 0 H MET A 71 -5.465 9.022 -4.065 1.00 0.00 H new ATOM 0 HA MET A 71 -5.807 6.626 -5.517 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.296 7.296 -2.962 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.158 5.760 -3.795 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.417 8.488 -4.907 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.304 7.234 -4.397 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.173 4.381 -7.031 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.671 4.714 -5.356 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.399 4.707 -5.782 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.384 6.822 -2.680 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.346 6.152 -1.812 1.00 0.00 C ATOM 1099 C TYR A 72 -9.468 5.515 -2.626 1.00 0.00 C ATOM 1100 O TYR A 72 -10.037 4.497 -2.228 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.932 7.145 -0.805 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.189 7.184 0.511 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.097 6.052 1.311 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.580 8.351 0.952 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.418 6.083 2.515 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.899 8.390 2.154 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.822 7.254 2.932 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.145 7.289 4.129 1.00 0.00 O ATOM 0 H TYR A 72 -7.243 7.810 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.821 5.363 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.926 8.142 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.974 6.886 -0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.563 5.133 0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.639 9.243 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.355 5.194 3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.430 9.306 2.482 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.117 6.389 4.515 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.782 6.118 -3.768 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.835 5.609 -4.638 1.00 0.00 C ATOM 1120 C LYS A 73 -10.499 4.207 -5.137 1.00 0.00 C ATOM 1121 O LYS A 73 -11.390 3.393 -5.377 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.044 6.550 -5.825 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.526 7.935 -5.428 1.00 0.00 C ATOM 1124 CD LYS A 73 -13.038 8.049 -5.534 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.514 9.455 -5.202 1.00 0.00 C ATOM 1126 NZ LYS A 73 -14.998 9.530 -5.103 1.00 0.00 N ATOM 0 H LYS A 73 -9.322 6.960 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.757 5.557 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.106 6.644 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.768 6.105 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.214 8.151 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.058 8.682 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.354 7.785 -6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.506 7.335 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.071 9.775 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.166 10.147 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.282 10.504 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.421 9.249 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.329 8.889 -4.354 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.208 3.934 -5.293 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.753 2.631 -5.765 1.00 0.00 C ATOM 1142 C ASP A 74 -8.936 1.565 -4.688 1.00 0.00 C ATOM 1143 O ASP A 74 -9.162 0.395 -4.993 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.284 2.701 -6.183 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.096 3.380 -7.525 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.745 4.420 -7.760 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.300 2.871 -8.342 1.00 0.00 O ATOM 0 H ASP A 74 -8.458 4.598 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.358 2.356 -6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.718 3.241 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.874 1.692 -6.229 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.838 1.980 -3.429 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.993 1.060 -2.308 1.00 0.00 C ATOM 1154 C VAL A 75 -10.364 0.390 -2.331 1.00 0.00 C ATOM 1155 O VAL A 75 -11.363 1.011 -2.693 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.809 1.782 -0.960 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.818 0.784 0.189 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.522 2.593 -0.958 1.00 0.00 C ATOM 0 H VAL A 75 -8.652 2.946 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.219 0.300 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.645 2.468 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.687 1.314 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.769 0.252 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.005 0.070 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.410 3.096 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.673 1.929 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.559 3.337 -1.754 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.401 -0.879 -1.941 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.648 -1.635 -1.916 1.00 0.00 C ATOM 1170 C GLN A 76 -12.165 -1.783 -0.489 1.00 0.00 C ATOM 1171 O GLN A 76 -11.492 -1.402 0.468 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.445 -3.015 -2.543 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.956 -2.966 -3.981 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.483 -3.304 -4.108 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -9.063 -4.422 -3.807 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.690 -2.338 -4.556 1.00 0.00 N ATOM 0 H GLN A 76 -9.582 -1.406 -1.638 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.389 -1.086 -2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.727 -3.575 -1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.387 -3.563 -2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.538 -3.664 -4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.133 -1.970 -4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.081 -1.426 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.690 -2.508 -4.663 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.365 -2.341 -0.356 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.973 -2.541 0.955 1.00 0.00 C ATOM 1187 C LYS A 77 -14.145 -4.027 1.252 1.00 0.00 C ATOM 1188 O LYS A 77 -15.080 -4.428 1.945 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.327 -1.835 1.026 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.236 -0.389 1.487 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.430 0.424 1.012 1.00 0.00 C ATOM 1192 CE LYS A 77 -16.004 1.788 0.492 1.00 0.00 C ATOM 1193 NZ LYS A 77 -15.207 1.681 -0.761 1.00 0.00 N ATOM 0 H LYS A 77 -13.935 -2.662 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.309 -2.112 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.795 -1.865 0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.978 -2.384 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.182 -0.356 2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.317 0.058 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.952 -0.120 0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.135 0.551 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.888 2.399 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.416 2.299 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.251 2.582 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.217 1.465 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.595 0.921 -1.356 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.236 -4.840 0.723 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.287 -6.283 0.931 1.00 0.00 C ATOM 1209 C ASP A 78 -11.894 -6.896 0.836 1.00 0.00 C ATOM 1210 O ASP A 78 -11.737 -8.041 0.414 1.00 0.00 O ATOM 1211 CB ASP A 78 -14.214 -6.934 -0.097 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.917 -8.160 0.454 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -14.226 -9.043 1.004 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -16.158 -8.236 0.334 1.00 0.00 O ATOM 0 H ASP A 78 -12.455 -4.524 0.147 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.678 -6.467 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.958 -6.207 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.636 -7.215 -0.977 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.886 -6.125 1.231 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.505 -6.593 1.190 1.00 0.00 C ATOM 1221 C TRP A 79 -9.292 -7.749 2.168 1.00 0.00 C ATOM 1222 O TRP A 79 -9.524 -7.604 3.367 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.547 -5.449 1.522 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.107 -5.794 1.296 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.133 -5.914 2.246 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.477 -6.063 0.038 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.936 -6.242 1.655 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -5.121 -6.339 0.301 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.927 -6.099 -1.285 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -4.214 -6.646 -0.710 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -6.025 -6.404 -2.287 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.682 -6.674 -1.995 1.00 0.00 C ATOM 0 H TRP A 79 -10.999 -5.174 1.583 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.299 -6.950 0.181 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.805 -4.581 0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.685 -5.161 2.564 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.282 -5.772 3.306 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.054 -6.389 2.145 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.961 -5.892 -1.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -3.178 -6.855 -0.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.362 -6.435 -3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -4.002 -6.909 -2.801 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.847 -8.918 1.670 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.606 -10.093 2.515 1.00 0.00 C ATOM 1245 C PRO A 80 -7.675 -9.787 3.683 1.00 0.00 C ATOM 1246 O PRO A 80 -7.714 -10.460 4.714 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.953 -11.096 1.560 1.00 0.00 C ATOM 1248 CG PRO A 80 -8.410 -10.683 0.204 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.542 -9.188 0.252 1.00 0.00 C ATOM 0 HA PRO A 80 -9.526 -10.458 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.866 -11.066 1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.261 -12.117 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.694 -10.988 -0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.362 -11.151 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.623 -8.693 -0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.336 -8.833 -0.405 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.836 -8.768 3.516 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.906 -8.393 4.565 1.00 0.00 C ATOM 1259 C GLY A 81 -6.603 -8.071 5.873 1.00 0.00 C ATOM 1260 O GLY A 81 -6.182 -8.526 6.937 1.00 0.00 O ATOM 0 H GLY A 81 -6.784 -8.196 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.198 -9.206 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.329 -7.526 4.242 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.671 -7.284 5.795 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.427 -6.901 6.982 1.00 0.00 C ATOM 1266 C TYR A 82 -9.162 -8.102 7.569 1.00 0.00 C ATOM 1267 O TYR A 82 -9.205 -9.173 6.963 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.425 -5.793 6.641 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.814 -4.642 5.875 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.640 -4.039 6.308 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.412 -4.159 4.718 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -7.079 -2.987 5.609 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.857 -3.108 4.013 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.691 -2.525 4.463 1.00 0.00 C ATOM 1275 OH TYR A 82 -7.135 -1.478 3.765 1.00 0.00 O ATOM 0 H TYR A 82 -8.033 -6.899 4.922 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.723 -6.529 7.727 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.239 -6.217 6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.862 -5.413 7.564 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.158 -4.398 7.205 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.326 -4.612 4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.166 -2.529 5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.334 -2.745 3.114 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.200 -1.365 4.034 1.00 0.00 H new ATOM 1285 N SER A 83 -9.738 -7.916 8.752 1.00 0.00 N ATOM 1286 CA SER A 83 -10.471 -8.984 9.421 1.00 0.00 C ATOM 1287 C SER A 83 -11.656 -8.424 10.202 1.00 0.00 C ATOM 1288 O SER A 83 -12.778 -8.917 10.085 1.00 0.00 O ATOM 1289 CB SER A 83 -9.543 -9.757 10.360 1.00 0.00 C ATOM 1290 OG SER A 83 -9.074 -10.947 9.749 1.00 0.00 O ATOM 0 H SER A 83 -9.711 -7.036 9.267 1.00 0.00 H new ATOM 0 HA SER A 83 -10.851 -9.664 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.696 -9.129 10.638 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.074 -10.002 11.280 1.00 0.00 H new ATOM 0 HG SER A 83 -8.482 -11.422 10.369 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.398 -7.392 10.999 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.443 -6.766 11.800 1.00 0.00 C ATOM 1298 C GLU A 84 -12.004 -5.388 12.286 1.00 0.00 C ATOM 1299 O GLU A 84 -12.620 -4.376 11.952 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.800 -7.654 12.995 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.295 -7.814 13.209 1.00 0.00 C ATOM 1302 CD GLU A 84 -14.626 -8.517 14.511 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -14.558 -9.764 14.546 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -14.955 -7.821 15.494 1.00 0.00 O ATOM 0 H GLU A 84 -10.475 -6.972 11.107 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.325 -6.645 11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.355 -8.638 12.851 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.356 -7.232 13.896 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.767 -6.831 13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.719 -8.378 12.378 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.936 -5.357 13.076 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.433 -4.100 13.595 1.00 0.00 C ATOM 1313 C GLY A 85 -9.999 -3.150 12.497 1.00 0.00 C ATOM 1314 O GLY A 85 -10.166 -1.935 12.615 1.00 0.00 O ATOM 0 H GLY A 85 -10.410 -6.181 13.366 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.207 -3.624 14.198 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.589 -4.296 14.256 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.440 -3.703 11.426 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.980 -2.897 10.301 1.00 0.00 C ATOM 1320 C ASP A 86 -10.143 -2.520 9.388 1.00 0.00 C ATOM 1321 O ASP A 86 -10.143 -1.453 8.775 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.917 -3.655 9.504 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.672 -3.935 10.322 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -5.818 -3.029 10.434 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -6.548 -5.060 10.850 1.00 0.00 O ATOM 0 H ASP A 86 -9.294 -4.706 11.313 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.543 -1.981 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.335 -4.597 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.646 -3.075 8.622 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.132 -3.404 9.304 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.302 -3.164 8.466 1.00 0.00 C ATOM 1332 C GLN A 87 -13.061 -1.926 8.930 1.00 0.00 C ATOM 1333 O GLN A 87 -13.401 -1.056 8.128 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.227 -4.382 8.486 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.873 -5.433 7.449 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.806 -6.628 7.488 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.978 -6.503 7.842 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -13.289 -7.795 7.123 1.00 0.00 N ATOM 0 H GLN A 87 -11.147 -4.292 9.805 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.958 -2.994 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.194 -4.836 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.252 -4.051 8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.905 -4.984 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.850 -5.770 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.312 -7.853 6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.869 -8.634 7.129 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.325 -1.853 10.231 1.00 0.00 N ATOM 1348 CA GLN A 88 -14.045 -0.720 10.802 1.00 0.00 C ATOM 1349 C GLN A 88 -13.234 0.565 10.665 1.00 0.00 C ATOM 1350 O GLN A 88 -13.785 1.631 10.392 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.363 -0.982 12.275 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.397 -2.076 12.489 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.252 -1.838 13.718 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.114 -0.960 13.727 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -16.015 -2.621 14.764 1.00 0.00 N ATOM 0 H GLN A 88 -13.051 -2.564 10.909 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.978 -0.599 10.252 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.444 -1.256 12.793 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.723 -0.059 12.730 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.040 -2.140 11.611 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.890 -3.036 12.584 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.290 -3.336 14.712 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.558 -2.507 15.620 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.925 0.455 10.859 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.038 1.608 10.758 1.00 0.00 C ATOM 1366 C LEU A 89 -11.062 2.193 9.350 1.00 0.00 C ATOM 1367 O LEU A 89 -11.272 3.393 9.168 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.609 1.213 11.134 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.759 2.341 11.721 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.075 2.534 13.196 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.278 2.048 11.526 1.00 0.00 C ATOM 0 H LEU A 89 -11.454 -0.421 11.087 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.393 2.369 11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.652 0.397 11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.109 0.827 10.246 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.000 3.264 11.194 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.461 3.340 13.597 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.129 2.788 13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.862 1.612 13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.688 2.861 11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.023 1.114 12.027 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.062 1.959 10.461 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.848 1.338 8.355 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.845 1.770 6.962 1.00 0.00 C ATOM 1385 C LEU A 90 -12.187 2.385 6.578 1.00 0.00 C ATOM 1386 O LEU A 90 -12.254 3.274 5.731 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.531 0.588 6.041 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.218 0.963 4.591 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.721 1.151 4.400 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.749 -0.099 3.641 1.00 0.00 C ATOM 0 H LEU A 90 -10.674 0.342 8.488 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.072 2.530 6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.681 0.043 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.381 -0.095 6.049 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.714 1.907 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.517 1.417 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.368 1.947 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.204 0.223 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.518 0.183 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.281 -1.057 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.829 -0.186 3.759 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.255 1.905 7.208 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.596 2.407 6.933 1.00 0.00 C ATOM 1404 C LYS A 91 -14.691 3.900 7.233 1.00 0.00 C ATOM 1405 O LYS A 91 -15.310 4.655 6.482 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.630 1.641 7.761 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.272 0.485 7.013 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.688 0.222 7.500 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.405 -0.782 6.614 1.00 0.00 C ATOM 1410 NZ LYS A 91 -19.881 -0.584 6.630 1.00 0.00 N ATOM 0 H LYS A 91 -13.217 1.169 7.913 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.804 2.254 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.151 1.258 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.409 2.332 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.289 0.706 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.669 -0.413 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.658 -0.151 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.247 1.157 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.038 -0.691 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.171 -1.793 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.333 -1.289 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.236 -0.696 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.107 0.371 6.287 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.077 4.319 8.335 1.00 0.00 N ATOM 1425 CA ARG A 92 -14.094 5.721 8.732 1.00 0.00 C ATOM 1426 C ARG A 92 -13.031 6.516 7.978 1.00 0.00 C ATOM 1427 O ARG A 92 -13.207 7.703 7.706 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.869 5.848 10.241 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.533 5.291 10.705 1.00 0.00 C ATOM 1430 CD ARG A 92 -12.112 5.889 12.039 1.00 0.00 C ATOM 1431 NE ARG A 92 -10.707 6.291 12.039 1.00 0.00 N ATOM 1432 CZ ARG A 92 -10.117 6.922 13.052 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -10.804 7.222 14.147 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -8.835 7.252 12.969 1.00 0.00 N ATOM 0 H ARG A 92 -13.562 3.707 8.968 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.072 6.131 8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.933 6.899 10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.672 5.329 10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.602 4.207 10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.770 5.500 9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.737 6.754 12.262 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.281 5.161 12.832 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.146 6.076 11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.790 6.969 14.216 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.346 7.706 14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.303 7.022 12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.382 7.735 13.744 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.930 5.853 7.643 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.840 6.497 6.921 1.00 0.00 C ATOM 1450 C VAL A 93 -11.239 6.800 5.480 1.00 0.00 C ATOM 1451 O VAL A 93 -10.767 7.768 4.885 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.571 5.622 6.916 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.405 6.372 6.287 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.224 5.174 8.328 1.00 0.00 C ATOM 0 H VAL A 93 -11.769 4.869 7.860 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.626 7.430 7.442 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.769 4.734 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.519 5.738 6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.655 6.637 5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.206 7.279 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.325 4.557 8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.047 6.049 8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.051 4.595 8.739 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.112 5.966 4.924 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.573 6.144 3.553 1.00 0.00 C ATOM 1466 C LEU A 94 -13.619 7.252 3.467 1.00 0.00 C ATOM 1467 O LEU A 94 -13.621 8.044 2.526 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.154 4.836 3.013 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.120 3.765 2.661 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.792 2.411 2.491 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.366 4.150 1.397 1.00 0.00 C ATOM 0 H LEU A 94 -12.514 5.160 5.403 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.716 6.432 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.840 4.427 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.743 5.058 2.123 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.405 3.692 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.041 1.661 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.288 2.132 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.529 2.468 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.634 3.378 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.069 4.249 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.854 5.099 1.554 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.504 7.300 4.456 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.555 8.311 4.492 1.00 0.00 C ATOM 1485 C VAL A 95 -14.980 9.691 4.795 1.00 0.00 C ATOM 1486 O VAL A 95 -15.392 10.689 4.203 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.628 7.972 5.545 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.790 8.948 5.459 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -17.113 6.539 5.374 1.00 0.00 C ATOM 0 H VAL A 95 -14.515 6.651 5.243 1.00 0.00 H new ATOM 0 HA VAL A 95 -16.017 8.321 3.505 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.179 8.064 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.537 8.692 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.428 9.961 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.239 8.892 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.870 6.319 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.543 6.417 4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.273 5.854 5.493 1.00 0.00 H new ATOM 1499 N ARG A 96 -14.026 9.739 5.720 1.00 0.00 N ATOM 1500 CA ARG A 96 -13.395 10.997 6.101 1.00 0.00 C ATOM 1501 C ARG A 96 -12.658 11.618 4.918 1.00 0.00 C ATOM 1502 O ARG A 96 -12.591 12.841 4.789 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.425 10.771 7.265 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.927 11.319 8.591 1.00 0.00 C ATOM 1505 CD ARG A 96 -14.292 10.749 8.948 1.00 0.00 C ATOM 1506 NE ARG A 96 -14.595 10.908 10.368 1.00 0.00 N ATOM 1507 CZ ARG A 96 -15.823 10.835 10.877 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -16.864 10.603 10.086 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -16.011 10.993 12.180 1.00 0.00 N ATOM 0 H ARG A 96 -13.674 8.922 6.219 1.00 0.00 H new ATOM 0 HA ARG A 96 -14.177 11.687 6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.240 9.702 7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.470 11.238 7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.213 11.078 9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.988 12.406 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.059 11.247 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.323 9.691 8.686 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.820 11.085 11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -16.725 10.480 9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.803 10.548 10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.215 11.170 12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.952 10.937 12.570 1.00 0.00 H new ATOM 1523 N LYS A 97 -12.106 10.768 4.059 1.00 0.00 N ATOM 1524 CA LYS A 97 -11.375 11.234 2.887 1.00 0.00 C ATOM 1525 C LYS A 97 -12.294 11.334 1.674 1.00 0.00 C ATOM 1526 O LYS A 97 -12.462 12.408 1.097 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.206 10.295 2.582 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.352 9.972 3.796 1.00 0.00 C ATOM 1529 CD LYS A 97 -8.342 11.074 4.075 1.00 0.00 C ATOM 1530 CE LYS A 97 -7.547 10.794 5.339 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.124 11.214 5.205 1.00 0.00 N ATOM 0 H LYS A 97 -12.151 9.753 4.152 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.985 12.228 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.596 9.366 2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.577 10.749 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.993 9.835 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.829 9.030 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.661 11.168 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.861 12.028 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.003 11.319 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.591 9.729 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.616 11.006 6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.681 10.695 4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.080 12.235 5.013 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.886 10.206 1.293 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.789 10.167 0.149 1.00 0.00 C ATOM 1547 C LEU A 98 -15.153 10.747 0.512 1.00 0.00 C ATOM 1548 O LEU A 98 -16.126 10.013 0.683 1.00 0.00 O ATOM 1549 CB LEU A 98 -13.950 8.730 -0.353 1.00 0.00 C ATOM 1550 CG LEU A 98 -12.647 7.940 -0.478 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -12.926 6.445 -0.458 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -11.909 8.329 -1.752 1.00 0.00 C ATOM 0 H LEU A 98 -12.756 9.308 1.759 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.355 10.775 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.617 8.197 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.438 8.754 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.013 8.182 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.987 5.898 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.413 6.178 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.578 6.185 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.984 7.757 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.537 8.115 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.677 9.394 -1.727 1.00 0.00 H new ATOM 1564 N SER A 99 -15.215 12.069 0.630 1.00 0.00 N ATOM 1565 CA SER A 99 -16.458 12.749 0.973 1.00 0.00 C ATOM 1566 C SER A 99 -16.877 13.710 -0.135 1.00 0.00 C ATOM 1567 O SER A 99 -16.155 13.898 -1.114 1.00 0.00 O ATOM 1568 CB SER A 99 -16.301 13.510 2.290 1.00 0.00 C ATOM 1569 OG SER A 99 -17.539 14.047 2.721 1.00 0.00 O ATOM 0 H SER A 99 -14.418 12.691 0.493 1.00 0.00 H new ATOM 0 HA SER A 99 -17.235 11.994 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.905 12.841 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.576 14.315 2.164 1.00 0.00 H new ATOM 0 HG SER A 99 -17.411 14.527 3.566 1.00 0.00 H new ATOM 1575 N GLY A 100 -18.049 14.316 0.026 1.00 0.00 N ATOM 1576 CA GLY A 100 -18.544 15.251 -0.969 1.00 0.00 C ATOM 1577 C GLY A 100 -18.960 16.578 -0.361 1.00 0.00 C ATOM 1578 O GLY A 100 -20.150 16.884 -0.291 1.00 0.00 O ATOM 0 H GLY A 100 -18.665 14.177 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -17.771 15.424 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -19.395 14.809 -1.487 1.00 0.00 H new ATOM 1582 N PRO A 101 -17.993 17.395 0.090 1.00 0.00 N ATOM 1583 CA PRO A 101 -18.279 18.700 0.694 1.00 0.00 C ATOM 1584 C PRO A 101 -18.794 19.710 -0.326 1.00 0.00 C ATOM 1585 O PRO A 101 -19.770 20.417 -0.076 1.00 0.00 O ATOM 1586 CB PRO A 101 -16.923 19.142 1.247 1.00 0.00 C ATOM 1587 CG PRO A 101 -15.921 18.431 0.406 1.00 0.00 C ATOM 1588 CD PRO A 101 -16.545 17.111 0.045 1.00 0.00 C ATOM 0 HA PRO A 101 -19.061 18.636 1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.801 20.223 1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.818 18.875 2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.683 19.007 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.988 18.286 0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.232 16.775 -0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.267 16.328 0.751 1.00 0.00 H new ATOM 1596 N SER A 102 -18.131 19.772 -1.476 1.00 0.00 N ATOM 1597 CA SER A 102 -18.521 20.695 -2.535 1.00 0.00 C ATOM 1598 C SER A 102 -18.196 20.117 -3.909 1.00 0.00 C ATOM 1599 O SER A 102 -19.087 19.679 -4.636 1.00 0.00 O ATOM 1600 CB SER A 102 -17.816 22.040 -2.354 1.00 0.00 C ATOM 1601 OG SER A 102 -18.492 22.848 -1.406 1.00 0.00 O ATOM 0 H SER A 102 -17.321 19.194 -1.698 1.00 0.00 H new ATOM 0 HA SER A 102 -19.599 20.847 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.789 21.875 -2.029 1.00 0.00 H new ATOM 0 HB3 SER A 102 -17.767 22.560 -3.311 1.00 0.00 H new ATOM 0 HG SER A 102 -19.082 22.287 -0.860 1.00 0.00 H new ATOM 1607 N SER A 103 -16.914 20.119 -4.257 1.00 0.00 N ATOM 1608 CA SER A 103 -16.470 19.594 -5.543 1.00 0.00 C ATOM 1609 C SER A 103 -16.170 18.101 -5.447 1.00 0.00 C ATOM 1610 O SER A 103 -16.784 17.288 -6.140 1.00 0.00 O ATOM 1611 CB SER A 103 -15.228 20.345 -6.024 1.00 0.00 C ATOM 1612 OG SER A 103 -14.226 20.369 -5.022 1.00 0.00 O ATOM 0 H SER A 103 -16.164 20.478 -3.667 1.00 0.00 H new ATOM 0 HA SER A 103 -17.275 19.739 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.836 19.868 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.499 21.365 -6.296 1.00 0.00 H new ATOM 0 HG SER A 103 -13.442 20.853 -5.355 1.00 0.00 H new ATOM 1618 N GLY A 104 -15.224 17.747 -4.584 1.00 0.00 N ATOM 1619 CA GLY A 104 -14.859 16.353 -4.413 1.00 0.00 C ATOM 1620 C GLY A 104 -14.017 15.828 -5.559 1.00 0.00 C ATOM 1621 O GLY A 104 -14.554 15.065 -6.390 1.00 0.00 O ATOM 1622 OXT GLY A 104 -12.820 16.179 -5.626 1.00 0.00 O ATOM 0 H GLY A 104 -14.703 18.401 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.309 16.237 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.764 15.752 -4.326 1.00 0.00 H new TER 1626 GLY A 104