USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1074 hydrogens (12 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 115 GLN : amide:sc= -12.6! C(o=-15!,f=-15!) USER MOD Set 1.2: A 117 TYR OH : rot 130:sc= -2.38! USER MOD Set 2.1: A 37 LYS NZ :NH3+ -153:sc= -0.88 (180deg=-2.99!) USER MOD Set 2.2: A 52 SER OG : rot -176:sc= -0.35 USER MOD Set 2.3: A 57 ASN : amide:sc= -3.32 X(o=-4.6,f=-4.4!) USER MOD Set 3.1: A 18 MET CE :methyl -106:sc= -10.6! (180deg=-15.9!) USER MOD Set 3.2: A 21 MET CE :methyl -159:sc= -3.47! (180deg=-3.44!) USER MOD Set 4.1: A 11 SER OG : rot 140:sc= -1.79 USER MOD Set 4.2: A 33 HIS : no HD1:sc= -3.53 K(o=-5.3,f=-6.8!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 0.302 (180deg=0.0493) USER MOD Single : A 13 ASN : amide:sc= -1.25 K(o=-1.2,f=-5.7!) USER MOD Single : A 14 TYR OH : rot 130:sc= -0.752 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -5.73 K(o=-5.7,f=-6.6!) USER MOD Single : A 27 LYS NZ :NH3+ 132:sc= -1.64 (180deg=-5.98!) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0576) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.00027) USER MOD Single : A 39 THR OG1 : rot 82:sc= 1.03 USER MOD Single : A 41 THR OG1 : rot 74:sc= -0.521 USER MOD Single : A 42 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.96!) USER MOD Single : A 45 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.36) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.574 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 150:sc= -1.11 USER MOD Single : A 67 THR OG1 : rot -56:sc= 0.193 USER MOD Single : A 69 ASN : amide:sc= -0.385 X(o=-0.38,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -2.91! USER MOD Single : A 71 ASN : amide:sc= -0.388 K(o=-0.39,f=-4.2!) USER MOD Single : A 76 THR OG1 : rot 168:sc= 1.02 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.017) USER MOD Single : A 100 ASN : amide:sc= -0.884 K(o=-0.88,f=-4.1!) USER MOD Single : A 103 ASN : amide:sc= -2.22 K(o=-2.2,f=-4.2!) USER MOD Single : A 104 THR OG1 : rot -26:sc= -3.4! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 60:sc= -2.79 USER MOD Single : A 125 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00741) USER MOD Single : A 129 LYS NZ :NH3+ -148:sc= -0.896 (180deg=-1.87!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 KTR O3 : rot 21:sc= -3.98! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.113 -0.150 17.864 1.00 0.00 N ATOM 2 CA ALA A 1 -3.952 -1.251 17.326 1.00 0.00 C ATOM 3 C ALA A 1 -3.812 -1.356 15.811 1.00 0.00 C ATOM 4 O ALA A 1 -4.781 -1.176 15.073 1.00 0.00 O ATOM 5 CB ALA A 1 -5.409 -1.038 17.707 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.226 -0.100 18.897 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.115 -0.330 17.634 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.409 0.752 17.439 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.605 -2.187 17.764 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.013 -1.852 17.306 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.502 -1.018 18.793 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.758 -0.091 17.295 1.00 0.00 H new ATOM 13 N PHE A 2 -2.600 -1.647 15.351 1.00 0.00 N ATOM 14 CA PHE A 2 -2.338 -1.774 13.923 1.00 0.00 C ATOM 15 C PHE A 2 -2.560 -3.209 13.454 1.00 0.00 C ATOM 16 O PHE A 2 -3.332 -3.455 12.528 1.00 0.00 O ATOM 17 CB PHE A 2 -0.912 -1.326 13.601 1.00 0.00 C ATOM 18 CG PHE A 2 -0.823 0.112 13.175 1.00 0.00 C ATOM 19 CD1 PHE A 2 -1.605 0.588 12.134 1.00 0.00 C ATOM 20 CD2 PHE A 2 0.039 0.988 13.815 1.00 0.00 C ATOM 21 CE1 PHE A 2 -1.529 1.911 11.740 1.00 0.00 C ATOM 22 CE2 PHE A 2 0.119 2.312 13.426 1.00 0.00 C ATOM 23 CZ PHE A 2 -0.667 2.774 12.387 1.00 0.00 C ATOM 0 H PHE A 2 -1.785 -1.799 15.945 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.037 -1.129 13.391 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.284 -1.477 14.479 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -0.510 -1.958 12.809 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.281 -0.082 11.625 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.656 0.632 14.627 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.143 2.269 10.927 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.795 2.985 13.933 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.607 3.808 12.082 1.00 0.00 H new ATOM 33 N ASP A 3 -1.885 -4.154 14.104 1.00 0.00 N ATOM 34 CA ASP A 3 -2.013 -5.568 13.757 1.00 0.00 C ATOM 35 C ASP A 3 -3.482 -5.981 13.705 1.00 0.00 C ATOM 36 O ASP A 3 -4.134 -6.112 14.741 1.00 0.00 O ATOM 37 CB ASP A 3 -1.263 -6.431 14.776 1.00 0.00 C ATOM 38 CG ASP A 3 -1.323 -7.912 14.449 1.00 0.00 C ATOM 39 OD1 ASP A 3 -2.137 -8.300 13.584 1.00 0.00 O ATOM 40 OD2 ASP A 3 -0.556 -8.685 15.060 1.00 0.00 O ATOM 0 H ASP A 3 -1.243 -3.967 14.874 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.576 -5.720 12.770 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.221 -6.114 14.816 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.685 -6.265 15.767 1.00 0.00 H new ATOM 45 N SER A 4 -4.000 -6.176 12.495 1.00 0.00 N ATOM 46 CA SER A 4 -5.397 -6.563 12.319 1.00 0.00 C ATOM 47 C SER A 4 -5.770 -6.646 10.840 1.00 0.00 C ATOM 48 O SER A 4 -4.935 -6.421 9.964 1.00 0.00 O ATOM 49 CB SER A 4 -6.308 -5.548 13.017 1.00 0.00 C ATOM 50 OG SER A 4 -7.321 -6.196 13.768 1.00 0.00 O ATOM 0 H SER A 4 -3.476 -6.073 11.626 1.00 0.00 H new ATOM 0 HA SER A 4 -5.530 -7.550 12.762 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.713 -4.915 13.675 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.765 -4.895 12.274 1.00 0.00 H new ATOM 0 HG SER A 4 -7.886 -5.524 14.204 1.00 0.00 H new ATOM 56 N THR A 5 -7.040 -6.948 10.575 1.00 0.00 N ATOM 57 CA THR A 5 -7.541 -7.034 9.207 1.00 0.00 C ATOM 58 C THR A 5 -8.026 -5.662 8.764 1.00 0.00 C ATOM 59 O THR A 5 -8.869 -5.055 9.424 1.00 0.00 O ATOM 60 CB THR A 5 -8.682 -8.049 9.116 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.235 -9.342 9.483 1.00 0.00 O ATOM 62 CG2 THR A 5 -9.287 -8.147 7.732 1.00 0.00 C ATOM 0 H THR A 5 -7.741 -7.137 11.292 1.00 0.00 H new ATOM 0 HA THR A 5 -6.736 -7.366 8.552 1.00 0.00 H new ATOM 0 HB THR A 5 -9.446 -7.686 9.804 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.980 -9.976 9.420 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.090 -8.884 7.737 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.688 -7.176 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.520 -8.451 7.020 1.00 0.00 H new ATOM 70 N TRP A 6 -7.477 -5.156 7.664 1.00 0.00 N ATOM 71 CA TRP A 6 -7.853 -3.837 7.183 1.00 0.00 C ATOM 72 C TRP A 6 -8.506 -3.901 5.808 1.00 0.00 C ATOM 73 O TRP A 6 -7.954 -4.452 4.856 1.00 0.00 O ATOM 74 CB TRP A 6 -6.626 -2.913 7.152 1.00 0.00 C ATOM 75 CG TRP A 6 -6.077 -2.596 8.508 1.00 0.00 C ATOM 76 CD1 TRP A 6 -5.952 -3.453 9.560 1.00 0.00 C ATOM 77 CD2 TRP A 6 -5.573 -1.335 8.956 1.00 0.00 C ATOM 78 NE1 TRP A 6 -5.420 -2.799 10.642 1.00 0.00 N ATOM 79 CE2 TRP A 6 -5.177 -1.498 10.296 1.00 0.00 C ATOM 80 CE3 TRP A 6 -5.422 -0.084 8.356 1.00 0.00 C ATOM 81 CZ2 TRP A 6 -4.643 -0.457 11.047 1.00 0.00 C ATOM 82 CZ3 TRP A 6 -4.890 0.950 9.102 1.00 0.00 C ATOM 83 CH2 TRP A 6 -4.507 0.759 10.436 1.00 0.00 C ATOM 0 H TRP A 6 -6.778 -5.635 7.096 1.00 0.00 H new ATOM 0 HA TRP A 6 -8.589 -3.429 7.876 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.844 -3.381 6.554 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.895 -1.983 6.652 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.231 -4.496 9.544 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.236 -3.215 11.555 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.715 0.073 7.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.346 -0.603 12.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.767 1.923 8.649 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.096 1.588 10.993 1.00 0.00 H new ATOM 94 N LYS A 7 -9.683 -3.303 5.719 1.00 0.00 N ATOM 95 CA LYS A 7 -10.431 -3.245 4.471 1.00 0.00 C ATOM 96 C LYS A 7 -10.669 -1.797 4.078 1.00 0.00 C ATOM 97 O LYS A 7 -11.336 -1.043 4.787 1.00 0.00 O ATOM 98 CB LYS A 7 -11.759 -3.992 4.597 1.00 0.00 C ATOM 99 CG LYS A 7 -12.732 -3.348 5.571 1.00 0.00 C ATOM 100 CD LYS A 7 -13.855 -4.300 5.948 1.00 0.00 C ATOM 101 CE LYS A 7 -15.118 -3.547 6.334 1.00 0.00 C ATOM 102 NZ LYS A 7 -16.268 -4.467 6.555 1.00 0.00 N ATOM 0 H LYS A 7 -10.146 -2.846 6.505 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.845 -3.732 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.227 -4.051 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.561 -5.015 4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.198 -3.040 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.152 -2.447 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.068 -4.964 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.537 -4.929 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.934 -2.971 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.369 -2.834 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.040 -3.951 7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.601 -4.832 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.967 -5.261 7.156 1.00 0.00 H new ATOM 116 N VAL A 8 -10.095 -1.414 2.952 1.00 0.00 N ATOM 117 CA VAL A 8 -10.211 -0.056 2.459 1.00 0.00 C ATOM 118 C VAL A 8 -11.655 0.303 2.111 1.00 0.00 C ATOM 119 O VAL A 8 -12.390 -0.508 1.549 1.00 0.00 O ATOM 120 CB VAL A 8 -9.305 0.151 1.232 1.00 0.00 C ATOM 121 CG1 VAL A 8 -9.905 -0.490 -0.015 1.00 0.00 C ATOM 122 CG2 VAL A 8 -9.057 1.628 1.014 1.00 0.00 C ATOM 0 H VAL A 8 -9.540 -2.031 2.359 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.888 0.608 3.260 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.351 -0.340 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.241 -0.326 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.027 -1.561 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.877 -0.042 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.415 1.765 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.007 2.136 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.570 2.049 1.894 1.00 0.00 H new ATOM 132 N ASP A 9 -12.051 1.530 2.447 1.00 0.00 N ATOM 133 CA ASP A 9 -13.403 2.003 2.169 1.00 0.00 C ATOM 134 C ASP A 9 -13.458 2.684 0.803 1.00 0.00 C ATOM 135 O ASP A 9 -14.290 2.344 -0.037 1.00 0.00 O ATOM 136 CB ASP A 9 -13.870 2.961 3.279 1.00 0.00 C ATOM 137 CG ASP A 9 -14.716 4.115 2.765 1.00 0.00 C ATOM 138 OD1 ASP A 9 -15.643 3.863 1.967 1.00 0.00 O ATOM 139 OD2 ASP A 9 -14.450 5.269 3.163 1.00 0.00 O ATOM 0 H ASP A 9 -11.453 2.213 2.912 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.078 1.147 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.444 2.399 4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.997 3.362 3.794 1.00 0.00 H new ATOM 144 N ARG A 10 -12.563 3.644 0.589 1.00 0.00 N ATOM 145 CA ARG A 10 -12.508 4.366 -0.677 1.00 0.00 C ATOM 146 C ARG A 10 -11.072 4.728 -1.031 1.00 0.00 C ATOM 147 O ARG A 10 -10.158 4.545 -0.226 1.00 0.00 O ATOM 148 CB ARG A 10 -13.368 5.632 -0.624 1.00 0.00 C ATOM 149 CG ARG A 10 -13.296 6.378 0.697 1.00 0.00 C ATOM 150 CD ARG A 10 -14.629 7.022 1.040 1.00 0.00 C ATOM 151 NE ARG A 10 -14.544 7.853 2.239 1.00 0.00 N ATOM 152 CZ ARG A 10 -15.465 8.749 2.586 1.00 0.00 C ATOM 153 NH1 ARG A 10 -16.540 8.933 1.830 1.00 0.00 N ATOM 154 NH2 ARG A 10 -15.310 9.463 3.693 1.00 0.00 N ATOM 0 H ARG A 10 -11.868 3.939 1.274 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.905 3.709 -1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.057 6.303 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.406 5.361 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.007 5.689 1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.523 7.144 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.964 7.631 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.379 6.245 1.190 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.732 7.740 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.664 8.386 0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.242 9.621 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.486 9.325 4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.015 10.150 3.960 1.00 0.00 H new ATOM 168 N SER A 11 -10.879 5.236 -2.242 1.00 0.00 N ATOM 169 CA SER A 11 -9.551 5.616 -2.704 1.00 0.00 C ATOM 170 C SER A 11 -9.607 6.861 -3.584 1.00 0.00 C ATOM 171 O SER A 11 -10.677 7.269 -4.035 1.00 0.00 O ATOM 172 CB SER A 11 -8.911 4.460 -3.474 1.00 0.00 C ATOM 173 OG SER A 11 -9.744 4.034 -4.540 1.00 0.00 O ATOM 0 H SER A 11 -11.624 5.394 -2.920 1.00 0.00 H new ATOM 0 HA SER A 11 -8.943 5.846 -1.829 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.943 4.772 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.726 3.626 -2.797 1.00 0.00 H new ATOM 0 HG SER A 11 -9.193 3.834 -5.326 1.00 0.00 H new ATOM 179 N GLU A 12 -8.443 7.455 -3.823 1.00 0.00 N ATOM 180 CA GLU A 12 -8.346 8.652 -4.650 1.00 0.00 C ATOM 181 C GLU A 12 -7.049 8.642 -5.451 1.00 0.00 C ATOM 182 O GLU A 12 -5.964 8.493 -4.890 1.00 0.00 O ATOM 183 CB GLU A 12 -8.414 9.908 -3.779 1.00 0.00 C ATOM 184 CG GLU A 12 -9.828 10.427 -3.571 1.00 0.00 C ATOM 185 CD GLU A 12 -10.147 11.618 -4.453 1.00 0.00 C ATOM 186 OE1 GLU A 12 -10.297 11.426 -5.678 1.00 0.00 O ATOM 187 OE2 GLU A 12 -10.248 12.743 -3.919 1.00 0.00 O ATOM 0 H GLU A 12 -7.551 7.126 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.186 8.659 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.969 9.692 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.812 10.692 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.539 9.627 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.958 10.708 -2.526 1.00 0.00 H new ATOM 194 N ASN A 13 -7.167 8.799 -6.766 1.00 0.00 N ATOM 195 CA ASN A 13 -6.009 8.803 -7.642 1.00 0.00 C ATOM 196 C ASN A 13 -5.265 7.470 -7.579 1.00 0.00 C ATOM 197 O ASN A 13 -4.117 7.358 -8.021 1.00 0.00 O ATOM 198 CB ASN A 13 -5.075 9.942 -7.258 1.00 0.00 C ATOM 199 CG ASN A 13 -5.214 11.142 -8.174 1.00 0.00 C ATOM 200 OD1 ASN A 13 -5.787 11.046 -9.259 1.00 0.00 O ATOM 201 ND2 ASN A 13 -4.686 12.282 -7.741 1.00 0.00 N ATOM 0 H ASN A 13 -8.058 8.925 -7.246 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.355 8.948 -8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.282 10.247 -6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.045 9.587 -7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.747 13.123 -8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.220 12.316 -6.834 1.00 0.00 H new ATOM 208 N TYR A 14 -5.919 6.448 -7.039 1.00 0.00 N ATOM 209 CA TYR A 14 -5.293 5.143 -6.948 1.00 0.00 C ATOM 210 C TYR A 14 -4.872 4.684 -8.338 1.00 0.00 C ATOM 211 O TYR A 14 -3.762 4.191 -8.534 1.00 0.00 O ATOM 212 CB TYR A 14 -6.234 4.129 -6.301 1.00 0.00 C ATOM 213 CG TYR A 14 -5.504 3.065 -5.516 1.00 0.00 C ATOM 214 CD1 TYR A 14 -4.437 2.383 -6.079 1.00 0.00 C ATOM 215 CD2 TYR A 14 -5.876 2.744 -4.217 1.00 0.00 C ATOM 216 CE1 TYR A 14 -3.757 1.412 -5.374 1.00 0.00 C ATOM 217 CE2 TYR A 14 -5.201 1.772 -3.503 1.00 0.00 C ATOM 218 CZ TYR A 14 -4.141 1.110 -4.086 1.00 0.00 C ATOM 219 OH TYR A 14 -3.463 0.144 -3.379 1.00 0.00 O ATOM 0 H TYR A 14 -6.866 6.499 -6.665 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.408 5.218 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.924 4.652 -5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.835 3.653 -7.076 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.132 2.616 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.705 3.262 -3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.928 0.891 -5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.502 1.532 -2.494 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.216 0.496 -2.498 1.00 0.00 H new ATOM 229 N ASP A 15 -5.755 4.891 -9.312 1.00 0.00 N ATOM 230 CA ASP A 15 -5.457 4.537 -10.694 1.00 0.00 C ATOM 231 C ASP A 15 -4.192 5.260 -11.140 1.00 0.00 C ATOM 232 O ASP A 15 -3.406 4.742 -11.933 1.00 0.00 O ATOM 233 CB ASP A 15 -6.626 4.918 -11.604 1.00 0.00 C ATOM 234 CG ASP A 15 -7.855 4.067 -11.354 1.00 0.00 C ATOM 235 OD1 ASP A 15 -7.959 3.481 -10.257 1.00 0.00 O ATOM 236 OD2 ASP A 15 -8.715 3.988 -12.257 1.00 0.00 O ATOM 0 H ASP A 15 -6.678 5.300 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.303 3.460 -10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.877 5.967 -11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.321 4.814 -12.645 1.00 0.00 H new ATOM 241 N LYS A 16 -4.004 6.462 -10.599 1.00 0.00 N ATOM 242 CA LYS A 16 -2.837 7.281 -10.901 1.00 0.00 C ATOM 243 C LYS A 16 -1.561 6.482 -10.707 1.00 0.00 C ATOM 244 O LYS A 16 -0.606 6.611 -11.473 1.00 0.00 O ATOM 245 CB LYS A 16 -2.826 8.511 -9.988 1.00 0.00 C ATOM 246 CG LYS A 16 -2.240 9.757 -10.622 1.00 0.00 C ATOM 247 CD LYS A 16 -3.307 10.806 -10.863 1.00 0.00 C ATOM 248 CE LYS A 16 -2.907 11.770 -11.969 1.00 0.00 C ATOM 249 NZ LYS A 16 -2.329 13.030 -11.426 1.00 0.00 N ATOM 0 H LYS A 16 -4.655 6.892 -9.942 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.890 7.600 -11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.848 8.724 -9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.258 8.275 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.464 10.166 -9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.763 9.497 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.245 10.317 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.486 11.362 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.180 11.290 -12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.779 12.004 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.069 13.660 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.032 13.502 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.482 12.810 -10.865 1.00 0.00 H new ATOM 263 N PHE A 17 -1.554 5.660 -9.671 1.00 0.00 N ATOM 264 CA PHE A 17 -0.393 4.838 -9.362 1.00 0.00 C ATOM 265 C PHE A 17 -0.310 3.636 -10.285 1.00 0.00 C ATOM 266 O PHE A 17 0.768 3.087 -10.506 1.00 0.00 O ATOM 267 CB PHE A 17 -0.422 4.412 -7.895 1.00 0.00 C ATOM 268 CG PHE A 17 -0.105 5.556 -6.988 1.00 0.00 C ATOM 269 CD1 PHE A 17 -0.672 6.798 -7.232 1.00 0.00 C ATOM 270 CD2 PHE A 17 0.779 5.414 -5.926 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.371 7.881 -6.448 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.081 6.501 -5.128 1.00 0.00 C ATOM 273 CZ PHE A 17 0.507 7.737 -5.393 1.00 0.00 C ATOM 0 H PHE A 17 -2.338 5.543 -9.029 1.00 0.00 H new ATOM 0 HA PHE A 17 0.505 5.434 -9.527 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.406 4.014 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.296 3.608 -7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.363 6.914 -8.054 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.230 4.454 -5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.818 8.842 -6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.763 6.389 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.748 8.587 -4.772 1.00 0.00 H new ATOM 283 N MET A 18 -1.445 3.235 -10.836 1.00 0.00 N ATOM 284 CA MET A 18 -1.474 2.106 -11.744 1.00 0.00 C ATOM 285 C MET A 18 -0.916 2.500 -13.111 1.00 0.00 C ATOM 286 O MET A 18 -0.386 1.658 -13.837 1.00 0.00 O ATOM 287 CB MET A 18 -2.899 1.567 -11.882 1.00 0.00 C ATOM 288 CG MET A 18 -3.595 1.314 -10.550 1.00 0.00 C ATOM 289 SD MET A 18 -2.582 0.389 -9.374 1.00 0.00 S ATOM 290 CE MET A 18 -1.796 1.719 -8.469 1.00 0.00 C ATOM 0 H MET A 18 -2.351 3.673 -10.670 1.00 0.00 H new ATOM 0 HA MET A 18 -0.845 1.317 -11.331 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.491 2.276 -12.461 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.872 0.637 -12.449 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.872 2.270 -10.106 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.520 0.767 -10.730 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.752 1.797 -8.771 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.307 2.657 -8.684 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.850 1.513 -7.400 1.00 0.00 H new ATOM 300 N GLU A 19 -1.040 3.781 -13.465 1.00 0.00 N ATOM 301 CA GLU A 19 -0.551 4.259 -14.757 1.00 0.00 C ATOM 302 C GLU A 19 0.924 4.669 -14.713 1.00 0.00 C ATOM 303 O GLU A 19 1.747 4.115 -15.441 1.00 0.00 O ATOM 304 CB GLU A 19 -1.399 5.438 -15.238 1.00 0.00 C ATOM 305 CG GLU A 19 -2.895 5.189 -15.151 1.00 0.00 C ATOM 306 CD GLU A 19 -3.336 3.991 -15.969 1.00 0.00 C ATOM 307 OE1 GLU A 19 -3.286 2.860 -15.440 1.00 0.00 O ATOM 308 OE2 GLU A 19 -3.730 4.183 -17.138 1.00 0.00 O ATOM 0 H GLU A 19 -1.470 4.498 -12.881 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.638 3.427 -15.456 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.151 6.318 -14.645 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.137 5.665 -16.271 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.174 5.035 -14.109 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.428 6.075 -15.496 1.00 0.00 H new ATOM 315 N LYS A 20 1.253 5.651 -13.875 1.00 0.00 N ATOM 316 CA LYS A 20 2.624 6.134 -13.767 1.00 0.00 C ATOM 317 C LYS A 20 3.584 5.019 -13.365 1.00 0.00 C ATOM 318 O LYS A 20 4.646 4.859 -13.968 1.00 0.00 O ATOM 319 CB LYS A 20 2.697 7.279 -12.766 1.00 0.00 C ATOM 320 CG LYS A 20 4.014 8.029 -12.810 1.00 0.00 C ATOM 321 CD LYS A 20 3.872 9.412 -13.429 1.00 0.00 C ATOM 322 CE LYS A 20 5.208 9.916 -13.941 1.00 0.00 C ATOM 323 NZ LYS A 20 5.548 9.341 -15.272 1.00 0.00 N ATOM 0 H LYS A 20 0.589 6.125 -13.263 1.00 0.00 H new ATOM 0 HA LYS A 20 2.929 6.494 -14.749 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.883 7.976 -12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.544 6.885 -11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.409 8.125 -11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.740 7.451 -13.382 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.154 9.376 -14.248 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.476 10.107 -12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.182 11.003 -14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.990 9.661 -13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.468 9.711 -15.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.598 8.305 -15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.816 9.605 -15.962 1.00 0.00 H new ATOM 337 N MET A 21 3.213 4.251 -12.348 1.00 0.00 N ATOM 338 CA MET A 21 4.056 3.156 -11.880 1.00 0.00 C ATOM 339 C MET A 21 4.012 1.980 -12.851 1.00 0.00 C ATOM 340 O MET A 21 4.997 1.259 -13.009 1.00 0.00 O ATOM 341 CB MET A 21 3.621 2.700 -10.486 1.00 0.00 C ATOM 342 CG MET A 21 3.362 3.848 -9.523 1.00 0.00 C ATOM 343 SD MET A 21 3.196 3.298 -7.813 1.00 0.00 S ATOM 344 CE MET A 21 2.176 1.841 -8.020 1.00 0.00 C ATOM 0 H MET A 21 2.340 4.364 -11.834 1.00 0.00 H new ATOM 0 HA MET A 21 5.081 3.522 -11.827 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.715 2.100 -10.575 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.392 2.053 -10.068 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.179 4.566 -9.592 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.453 4.370 -9.822 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.682 1.605 -7.077 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.424 2.029 -8.786 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.800 1.000 -8.323 1.00 0.00 H new ATOM 354 N GLY A 22 2.866 1.789 -13.499 1.00 0.00 N ATOM 355 CA GLY A 22 2.727 0.695 -14.442 1.00 0.00 C ATOM 356 C GLY A 22 2.156 -0.549 -13.795 1.00 0.00 C ATOM 357 O GLY A 22 2.655 -1.654 -14.005 1.00 0.00 O ATOM 0 H GLY A 22 2.035 2.370 -13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.080 1.005 -15.263 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.701 0.464 -14.874 1.00 0.00 H new ATOM 361 N VAL A 23 1.103 -0.366 -13.007 1.00 0.00 N ATOM 362 CA VAL A 23 0.455 -1.479 -12.323 1.00 0.00 C ATOM 363 C VAL A 23 -0.607 -2.108 -13.215 1.00 0.00 C ATOM 364 O VAL A 23 -1.638 -1.496 -13.496 1.00 0.00 O ATOM 365 CB VAL A 23 -0.197 -1.021 -11.005 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.638 -2.212 -10.169 1.00 0.00 C ATOM 367 CG2 VAL A 23 0.756 -0.134 -10.217 1.00 0.00 C ATOM 0 H VAL A 23 0.679 0.544 -12.826 1.00 0.00 H new ATOM 0 HA VAL A 23 1.225 -2.216 -12.096 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.085 -0.439 -11.253 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.095 -1.859 -9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.363 -2.802 -10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.227 -2.831 -9.933 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.278 0.180 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.665 -0.690 -9.987 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.009 0.745 -10.810 1.00 0.00 H new ATOM 377 N ASN A 24 -0.347 -3.331 -13.665 1.00 0.00 N ATOM 378 CA ASN A 24 -1.273 -4.043 -14.533 1.00 0.00 C ATOM 379 C ASN A 24 -2.699 -3.986 -13.995 1.00 0.00 C ATOM 380 O ASN A 24 -2.981 -4.462 -12.895 1.00 0.00 O ATOM 381 CB ASN A 24 -0.840 -5.502 -14.708 1.00 0.00 C ATOM 382 CG ASN A 24 0.036 -6.012 -13.578 1.00 0.00 C ATOM 383 OD1 ASN A 24 1.148 -6.489 -13.806 1.00 0.00 O ATOM 384 ND2 ASN A 24 -0.462 -5.913 -12.351 1.00 0.00 N ATOM 0 H ASN A 24 0.502 -3.850 -13.441 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.254 -3.548 -15.504 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.728 -6.130 -14.781 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.300 -5.602 -15.650 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.082 -6.239 -11.552 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.388 -5.511 -12.207 1.00 0.00 H new ATOM 391 N ILE A 25 -3.591 -3.401 -14.788 1.00 0.00 N ATOM 392 CA ILE A 25 -4.998 -3.271 -14.420 1.00 0.00 C ATOM 393 C ILE A 25 -5.531 -4.559 -13.797 1.00 0.00 C ATOM 394 O ILE A 25 -6.298 -4.523 -12.835 1.00 0.00 O ATOM 395 CB ILE A 25 -5.861 -2.904 -15.644 1.00 0.00 C ATOM 396 CG1 ILE A 25 -7.302 -2.616 -15.216 1.00 0.00 C ATOM 397 CG2 ILE A 25 -5.821 -4.018 -16.681 1.00 0.00 C ATOM 398 CD1 ILE A 25 -7.902 -1.404 -15.894 1.00 0.00 C ATOM 0 H ILE A 25 -3.361 -3.005 -15.700 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.061 -2.469 -13.684 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.450 -2.002 -16.097 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.919 -3.488 -15.435 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.330 -2.469 -14.136 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.436 -3.740 -17.537 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.793 -4.174 -17.008 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.205 -4.938 -16.241 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.924 -1.260 -15.543 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.308 -0.522 -15.654 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.907 -1.556 -16.973 1.00 0.00 H new ATOM 410 N VAL A 26 -5.111 -5.697 -14.346 1.00 0.00 N ATOM 411 CA VAL A 26 -5.540 -6.998 -13.839 1.00 0.00 C ATOM 412 C VAL A 26 -5.402 -7.061 -12.321 1.00 0.00 C ATOM 413 O VAL A 26 -6.357 -7.374 -11.612 1.00 0.00 O ATOM 414 CB VAL A 26 -4.725 -8.144 -14.466 1.00 0.00 C ATOM 415 CG1 VAL A 26 -5.309 -9.493 -14.073 1.00 0.00 C ATOM 416 CG2 VAL A 26 -4.673 -7.997 -15.979 1.00 0.00 C ATOM 0 H VAL A 26 -4.474 -5.744 -15.142 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.588 -7.118 -14.115 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.705 -8.091 -14.084 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.720 -10.290 -14.526 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.287 -9.597 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.339 -9.560 -14.423 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.093 -8.816 -16.404 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.685 -8.022 -16.382 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.203 -7.048 -16.236 1.00 0.00 H new ATOM 426 N LYS A 27 -4.208 -6.744 -11.831 1.00 0.00 N ATOM 427 CA LYS A 27 -3.945 -6.746 -10.399 1.00 0.00 C ATOM 428 C LYS A 27 -4.477 -5.465 -9.764 1.00 0.00 C ATOM 429 O LYS A 27 -4.881 -5.454 -8.602 1.00 0.00 O ATOM 430 CB LYS A 27 -2.445 -6.881 -10.132 1.00 0.00 C ATOM 431 CG LYS A 27 -1.784 -8.000 -10.921 1.00 0.00 C ATOM 432 CD LYS A 27 -2.466 -9.336 -10.673 1.00 0.00 C ATOM 433 CE LYS A 27 -1.457 -10.427 -10.348 1.00 0.00 C ATOM 434 NZ LYS A 27 -0.498 -10.001 -9.291 1.00 0.00 N ATOM 0 H LYS A 27 -3.407 -6.482 -12.406 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.457 -7.599 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.955 -5.938 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.288 -7.057 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.818 -7.765 -11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.732 -8.070 -10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.174 -9.237 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.040 -9.621 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.984 -11.323 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.907 -10.693 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.423 -10.746 -8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.437 -9.836 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.837 -9.123 -8.848 1.00 0.00 H new ATOM 448 N ARG A 28 -4.479 -4.389 -10.546 1.00 0.00 N ATOM 449 CA ARG A 28 -4.967 -3.099 -10.078 1.00 0.00 C ATOM 450 C ARG A 28 -6.455 -3.191 -9.728 1.00 0.00 C ATOM 451 O ARG A 28 -6.927 -2.533 -8.804 1.00 0.00 O ATOM 452 CB ARG A 28 -4.679 -2.021 -11.148 1.00 0.00 C ATOM 453 CG ARG A 28 -5.893 -1.261 -11.667 1.00 0.00 C ATOM 454 CD ARG A 28 -6.607 -0.500 -10.562 1.00 0.00 C ATOM 455 NE ARG A 28 -8.029 -0.830 -10.512 1.00 0.00 N ATOM 456 CZ ARG A 28 -8.957 -0.232 -11.257 1.00 0.00 C ATOM 457 NH1 ARG A 28 -8.619 0.722 -12.116 1.00 0.00 N ATOM 458 NH2 ARG A 28 -10.229 -0.592 -11.145 1.00 0.00 N ATOM 0 H ARG A 28 -4.146 -4.387 -11.510 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.444 -2.810 -9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.974 -1.301 -10.731 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.184 -2.499 -11.994 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.578 -0.563 -12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.587 -1.961 -12.131 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.145 -0.733 -9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.487 0.572 -10.722 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.329 -1.562 -9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.643 1.002 -12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.336 1.175 -12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.495 -1.326 -10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.941 -0.135 -11.715 1.00 0.00 H new ATOM 472 N LYS A 29 -7.186 -4.021 -10.465 1.00 0.00 N ATOM 473 CA LYS A 29 -8.615 -4.209 -10.232 1.00 0.00 C ATOM 474 C LYS A 29 -8.922 -4.398 -8.748 1.00 0.00 C ATOM 475 O LYS A 29 -9.876 -3.822 -8.225 1.00 0.00 O ATOM 476 CB LYS A 29 -9.115 -5.419 -11.022 1.00 0.00 C ATOM 477 CG LYS A 29 -9.851 -5.050 -12.298 1.00 0.00 C ATOM 478 CD LYS A 29 -8.903 -4.938 -13.479 1.00 0.00 C ATOM 479 CE LYS A 29 -9.630 -5.150 -14.797 1.00 0.00 C ATOM 480 NZ LYS A 29 -10.527 -4.008 -15.127 1.00 0.00 N ATOM 0 H LYS A 29 -6.810 -4.577 -11.233 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.130 -3.310 -10.570 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.266 -6.055 -11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.777 -6.008 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.611 -5.802 -12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.371 -4.103 -12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.431 -3.956 -13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.106 -5.675 -13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.901 -5.282 -15.597 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.215 -6.068 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.859 -4.099 -16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.344 -4.011 -14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.005 -3.115 -15.020 1.00 0.00 H new ATOM 494 N LEU A 30 -8.112 -5.209 -8.074 1.00 0.00 N ATOM 495 CA LEU A 30 -8.305 -5.470 -6.653 1.00 0.00 C ATOM 496 C LEU A 30 -7.493 -4.499 -5.800 1.00 0.00 C ATOM 497 O LEU A 30 -7.695 -4.403 -4.590 1.00 0.00 O ATOM 498 CB LEU A 30 -7.910 -6.911 -6.319 1.00 0.00 C ATOM 499 CG LEU A 30 -8.210 -7.941 -7.412 1.00 0.00 C ATOM 500 CD1 LEU A 30 -7.372 -9.195 -7.210 1.00 0.00 C ATOM 501 CD2 LEU A 30 -9.692 -8.283 -7.428 1.00 0.00 C ATOM 0 H LEU A 30 -7.317 -5.696 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.361 -5.326 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.842 -6.937 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.428 -7.211 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.947 -7.507 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.599 -9.915 -7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.314 -8.936 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.602 -9.634 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.888 -9.016 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.980 -8.698 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.272 -7.381 -7.623 1.00 0.00 H new ATOM 513 N ALA A 31 -6.569 -3.785 -6.434 1.00 0.00 N ATOM 514 CA ALA A 31 -5.726 -2.832 -5.728 1.00 0.00 C ATOM 515 C ALA A 31 -6.316 -1.424 -5.753 1.00 0.00 C ATOM 516 O ALA A 31 -5.978 -0.595 -4.913 1.00 0.00 O ATOM 517 CB ALA A 31 -4.327 -2.828 -6.325 1.00 0.00 C ATOM 0 H ALA A 31 -6.386 -3.849 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.672 -3.147 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.705 -2.111 -5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.891 -3.823 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.381 -2.546 -7.377 1.00 0.00 H new ATOM 523 N ALA A 32 -7.182 -1.145 -6.724 1.00 0.00 N ATOM 524 CA ALA A 32 -7.779 0.183 -6.838 1.00 0.00 C ATOM 525 C ALA A 32 -8.474 0.613 -5.548 1.00 0.00 C ATOM 526 O ALA A 32 -8.255 1.726 -5.070 1.00 0.00 O ATOM 527 CB ALA A 32 -8.760 0.223 -7.997 1.00 0.00 C ATOM 0 H ALA A 32 -7.483 -1.811 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.968 0.887 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.197 1.219 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.238 -0.012 -8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.550 -0.509 -7.830 1.00 0.00 H new ATOM 533 N HIS A 33 -9.306 -0.265 -4.979 1.00 0.00 N ATOM 534 CA HIS A 33 -10.020 0.052 -3.735 1.00 0.00 C ATOM 535 C HIS A 33 -11.172 -0.921 -3.480 1.00 0.00 C ATOM 536 O HIS A 33 -11.308 -1.464 -2.384 1.00 0.00 O ATOM 537 CB HIS A 33 -10.550 1.500 -3.770 1.00 0.00 C ATOM 538 CG HIS A 33 -12.004 1.642 -3.425 1.00 0.00 C ATOM 539 ND1 HIS A 33 -12.946 2.111 -4.317 1.00 0.00 N ATOM 540 CD2 HIS A 33 -12.676 1.370 -2.281 1.00 0.00 C ATOM 541 CE1 HIS A 33 -14.133 2.123 -3.737 1.00 0.00 C ATOM 542 NE2 HIS A 33 -13.996 1.677 -2.502 1.00 0.00 N ATOM 0 H HIS A 33 -9.502 -1.193 -5.355 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.308 -0.049 -2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.965 2.104 -3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -10.385 1.909 -4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.253 0.984 -1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -15.057 2.443 -4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -14.749 1.577 -1.822 1.00 0.00 H new ATOM 551 N ASP A 34 -12.011 -1.112 -4.490 1.00 0.00 N ATOM 552 CA ASP A 34 -13.171 -1.991 -4.378 1.00 0.00 C ATOM 553 C ASP A 34 -12.798 -3.341 -3.782 1.00 0.00 C ATOM 554 O ASP A 34 -13.341 -3.746 -2.754 1.00 0.00 O ATOM 555 CB ASP A 34 -13.820 -2.188 -5.748 1.00 0.00 C ATOM 556 CG ASP A 34 -14.824 -1.100 -6.075 1.00 0.00 C ATOM 557 OD1 ASP A 34 -15.980 -1.200 -5.612 1.00 0.00 O ATOM 558 OD2 ASP A 34 -14.454 -0.147 -6.793 1.00 0.00 O ATOM 0 H ASP A 34 -11.910 -0.667 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.883 -1.512 -3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.045 -2.206 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.317 -3.157 -5.775 1.00 0.00 H new ATOM 563 N ASN A 35 -11.876 -4.037 -4.432 1.00 0.00 N ATOM 564 CA ASN A 35 -11.446 -5.340 -3.961 1.00 0.00 C ATOM 565 C ASN A 35 -10.053 -5.267 -3.350 1.00 0.00 C ATOM 566 O ASN A 35 -9.191 -6.096 -3.642 1.00 0.00 O ATOM 567 CB ASN A 35 -11.471 -6.357 -5.103 1.00 0.00 C ATOM 568 CG ASN A 35 -12.824 -7.026 -5.252 1.00 0.00 C ATOM 569 OD1 ASN A 35 -13.259 -7.775 -4.378 1.00 0.00 O ATOM 570 ND2 ASN A 35 -13.497 -6.757 -6.365 1.00 0.00 N ATOM 0 H ASN A 35 -11.414 -3.720 -5.284 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.141 -5.665 -3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.211 -5.858 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.710 -7.117 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.413 -7.178 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.098 -6.130 -7.063 1.00 0.00 H new ATOM 577 N LEU A 36 -9.836 -4.267 -2.503 1.00 0.00 N ATOM 578 CA LEU A 36 -8.544 -4.084 -1.857 1.00 0.00 C ATOM 579 C LEU A 36 -8.622 -4.358 -0.359 1.00 0.00 C ATOM 580 O LEU A 36 -9.312 -3.656 0.381 1.00 0.00 O ATOM 581 CB LEU A 36 -8.030 -2.664 -2.096 1.00 0.00 C ATOM 582 CG LEU A 36 -6.513 -2.497 -1.994 1.00 0.00 C ATOM 583 CD1 LEU A 36 -6.121 -1.045 -2.219 1.00 0.00 C ATOM 584 CD2 LEU A 36 -6.010 -2.982 -0.643 1.00 0.00 C ATOM 0 H LEU A 36 -10.538 -3.572 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.851 -4.801 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.350 -2.341 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.503 -1.997 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.048 -3.104 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.038 -0.944 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.446 -0.730 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.597 -0.418 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.929 -2.855 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.483 -2.403 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.258 -4.036 -0.520 1.00 0.00 H new ATOM 596 N LYS A 37 -7.888 -5.372 0.081 1.00 0.00 N ATOM 597 CA LYS A 37 -7.841 -5.736 1.488 1.00 0.00 C ATOM 598 C LYS A 37 -6.416 -5.620 1.995 1.00 0.00 C ATOM 599 O LYS A 37 -5.521 -6.324 1.536 1.00 0.00 O ATOM 600 CB LYS A 37 -8.361 -7.159 1.700 1.00 0.00 C ATOM 601 CG LYS A 37 -9.161 -7.327 2.983 1.00 0.00 C ATOM 602 CD LYS A 37 -8.267 -7.277 4.213 1.00 0.00 C ATOM 603 CE LYS A 37 -7.963 -8.671 4.738 1.00 0.00 C ATOM 604 NZ LYS A 37 -9.200 -9.481 4.915 1.00 0.00 N ATOM 0 H LYS A 37 -7.314 -5.960 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.482 -5.054 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.986 -7.439 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.516 -7.848 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.914 -6.542 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.693 -8.278 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.335 -6.769 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.753 -6.691 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.292 -9.181 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.440 -8.594 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.046 -10.193 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.986 -8.858 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.433 -9.958 4.021 1.00 0.00 H new ATOM 618 N LEU A 38 -6.216 -4.721 2.939 1.00 0.00 N ATOM 619 CA LEU A 38 -4.905 -4.493 3.518 1.00 0.00 C ATOM 620 C LEU A 38 -4.872 -5.095 4.923 1.00 0.00 C ATOM 621 O LEU A 38 -5.821 -4.947 5.683 1.00 0.00 O ATOM 622 CB LEU A 38 -4.627 -2.976 3.529 1.00 0.00 C ATOM 623 CG LEU A 38 -3.151 -2.531 3.434 1.00 0.00 C ATOM 624 CD1 LEU A 38 -2.297 -3.552 2.689 1.00 0.00 C ATOM 625 CD2 LEU A 38 -3.044 -1.172 2.745 1.00 0.00 C ATOM 0 H LEU A 38 -6.953 -4.131 3.325 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.123 -4.975 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.170 -2.526 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.047 -2.562 4.446 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.773 -2.452 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.266 -3.201 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.333 -4.507 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.681 -3.678 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.997 -0.875 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.458 -1.241 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.601 -0.429 3.317 1.00 0.00 H new ATOM 637 N THR A 39 -3.808 -5.818 5.258 1.00 0.00 N ATOM 638 CA THR A 39 -3.726 -6.457 6.571 1.00 0.00 C ATOM 639 C THR A 39 -2.449 -6.081 7.311 1.00 0.00 C ATOM 640 O THR A 39 -1.419 -5.795 6.699 1.00 0.00 O ATOM 641 CB THR A 39 -3.816 -7.977 6.432 1.00 0.00 C ATOM 642 OG1 THR A 39 -5.007 -8.348 5.761 1.00 0.00 O ATOM 643 CG2 THR A 39 -3.794 -8.703 7.760 1.00 0.00 C ATOM 0 H THR A 39 -3.003 -5.976 4.652 1.00 0.00 H new ATOM 0 HA THR A 39 -4.570 -6.095 7.158 1.00 0.00 H new ATOM 0 HB THR A 39 -2.933 -8.268 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.880 -8.256 4.794 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.861 -9.777 7.588 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.865 -8.476 8.283 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.640 -8.379 8.366 1.00 0.00 H new ATOM 651 N ILE A 40 -2.533 -6.092 8.638 1.00 0.00 N ATOM 652 CA ILE A 40 -1.398 -5.759 9.490 1.00 0.00 C ATOM 653 C ILE A 40 -1.151 -6.857 10.520 1.00 0.00 C ATOM 654 O ILE A 40 -2.082 -7.323 11.177 1.00 0.00 O ATOM 655 CB ILE A 40 -1.618 -4.426 10.240 1.00 0.00 C ATOM 656 CG1 ILE A 40 -2.519 -3.482 9.436 1.00 0.00 C ATOM 657 CG2 ILE A 40 -0.282 -3.761 10.540 1.00 0.00 C ATOM 658 CD1 ILE A 40 -2.037 -3.230 8.026 1.00 0.00 C ATOM 0 H ILE A 40 -3.383 -6.330 9.149 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.533 -5.662 8.834 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.119 -4.646 11.183 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.524 -3.901 9.397 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.591 -2.529 9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.453 -2.823 11.068 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.322 -4.422 11.161 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.243 -3.561 9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.726 -2.553 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.044 -2.781 8.056 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.992 -4.174 7.483 1.00 0.00 H new ATOM 670 N THR A 41 0.106 -7.263 10.663 1.00 0.00 N ATOM 671 CA THR A 41 0.467 -8.302 11.621 1.00 0.00 C ATOM 672 C THR A 41 1.589 -7.826 12.538 1.00 0.00 C ATOM 673 O THR A 41 2.376 -6.953 12.172 1.00 0.00 O ATOM 674 CB THR A 41 0.891 -9.577 10.893 1.00 0.00 C ATOM 675 OG1 THR A 41 0.055 -9.816 9.774 1.00 0.00 O ATOM 676 CG2 THR A 41 0.849 -10.808 11.774 1.00 0.00 C ATOM 0 H THR A 41 0.891 -6.889 10.129 1.00 0.00 H new ATOM 0 HA THR A 41 -0.410 -8.520 12.230 1.00 0.00 H new ATOM 0 HB THR A 41 1.922 -9.407 10.584 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.273 -9.180 9.061 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.161 -11.679 11.198 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.522 -10.673 12.620 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.167 -10.960 12.139 1.00 0.00 H new ATOM 684 N GLN A 42 1.654 -8.403 13.734 1.00 0.00 N ATOM 685 CA GLN A 42 2.678 -8.033 14.705 1.00 0.00 C ATOM 686 C GLN A 42 3.825 -9.038 14.707 1.00 0.00 C ATOM 687 O GLN A 42 3.606 -10.248 14.653 1.00 0.00 O ATOM 688 CB GLN A 42 2.069 -7.935 16.105 1.00 0.00 C ATOM 689 CG GLN A 42 2.887 -7.087 17.066 1.00 0.00 C ATOM 690 CD GLN A 42 2.372 -5.665 17.170 1.00 0.00 C ATOM 691 OE1 GLN A 42 2.494 -4.877 16.232 1.00 0.00 O ATOM 692 NE2 GLN A 42 1.792 -5.328 18.317 1.00 0.00 N ATOM 0 H GLN A 42 1.011 -9.127 14.054 1.00 0.00 H new ATOM 0 HA GLN A 42 3.077 -7.060 14.417 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.066 -7.516 16.027 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.964 -8.938 16.518 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.873 -7.548 18.054 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.926 -7.070 16.736 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.712 -6.013 19.069 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.427 -4.384 18.446 1.00 0.00 H new ATOM 701 N GLU A 43 5.049 -8.524 14.774 1.00 0.00 N ATOM 702 CA GLU A 43 6.240 -9.367 14.789 1.00 0.00 C ATOM 703 C GLU A 43 7.470 -8.545 15.156 1.00 0.00 C ATOM 704 O GLU A 43 8.113 -7.953 14.290 1.00 0.00 O ATOM 705 CB GLU A 43 6.449 -10.024 13.425 1.00 0.00 C ATOM 706 CG GLU A 43 5.844 -11.415 13.317 1.00 0.00 C ATOM 707 CD GLU A 43 6.891 -12.495 13.126 1.00 0.00 C ATOM 708 OE1 GLU A 43 7.460 -12.955 14.138 1.00 0.00 O ATOM 709 OE2 GLU A 43 7.141 -12.880 11.965 1.00 0.00 O ATOM 0 H GLU A 43 5.243 -7.524 14.819 1.00 0.00 H new ATOM 0 HA GLU A 43 6.096 -10.145 15.539 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.014 -9.387 12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.518 -10.086 13.221 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.269 -11.628 14.218 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.146 -11.439 12.480 1.00 0.00 H new ATOM 716 N GLY A 44 7.790 -8.508 16.445 1.00 0.00 N ATOM 717 CA GLY A 44 8.942 -7.747 16.901 1.00 0.00 C ATOM 718 C GLY A 44 8.939 -6.329 16.359 1.00 0.00 C ATOM 719 O GLY A 44 7.940 -5.620 16.486 1.00 0.00 O ATOM 0 H GLY A 44 7.275 -8.990 17.182 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.949 -7.718 17.991 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.856 -8.252 16.589 1.00 0.00 H new ATOM 723 N ASN A 45 10.037 -5.914 15.732 1.00 0.00 N ATOM 724 CA ASN A 45 10.111 -4.576 15.155 1.00 0.00 C ATOM 725 C ASN A 45 9.723 -4.622 13.684 1.00 0.00 C ATOM 726 O ASN A 45 10.074 -3.733 12.908 1.00 0.00 O ATOM 727 CB ASN A 45 11.510 -3.965 15.305 1.00 0.00 C ATOM 728 CG ASN A 45 12.530 -4.923 15.894 1.00 0.00 C ATOM 729 OD1 ASN A 45 13.456 -5.359 15.210 1.00 0.00 O ATOM 730 ND2 ASN A 45 12.364 -5.254 17.169 1.00 0.00 N ATOM 0 H ASN A 45 10.878 -6.478 15.612 1.00 0.00 H new ATOM 0 HA ASN A 45 9.412 -3.943 15.701 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.859 -3.632 14.328 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.445 -3.081 15.939 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.019 -5.894 17.619 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.582 -4.869 17.698 1.00 0.00 H new ATOM 737 N LYS A 46 9.001 -5.671 13.309 1.00 0.00 N ATOM 738 CA LYS A 46 8.565 -5.843 11.930 1.00 0.00 C ATOM 739 C LYS A 46 7.076 -6.173 11.862 1.00 0.00 C ATOM 740 O LYS A 46 6.448 -6.486 12.874 1.00 0.00 O ATOM 741 CB LYS A 46 9.404 -6.933 11.238 1.00 0.00 C ATOM 742 CG LYS A 46 8.682 -8.259 11.033 1.00 0.00 C ATOM 743 CD LYS A 46 9.529 -9.237 10.233 1.00 0.00 C ATOM 744 CE LYS A 46 10.131 -10.311 11.123 1.00 0.00 C ATOM 745 NZ LYS A 46 11.516 -10.665 10.708 1.00 0.00 N ATOM 0 H LYS A 46 8.705 -6.415 13.941 1.00 0.00 H new ATOM 0 HA LYS A 46 8.718 -4.902 11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.731 -6.559 10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.302 -7.112 11.830 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.438 -8.695 12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.739 -8.085 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.916 -9.704 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.327 -8.697 9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.139 -9.963 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.504 -11.202 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.891 -11.401 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.505 -11.021 9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.121 -9.821 10.762 1.00 0.00 H new ATOM 759 N PHE A 47 6.522 -6.094 10.658 1.00 0.00 N ATOM 760 CA PHE A 47 5.111 -6.375 10.440 1.00 0.00 C ATOM 761 C PHE A 47 4.915 -7.289 9.235 1.00 0.00 C ATOM 762 O PHE A 47 5.846 -7.533 8.470 1.00 0.00 O ATOM 763 CB PHE A 47 4.349 -5.071 10.220 1.00 0.00 C ATOM 764 CG PHE A 47 4.314 -4.176 11.429 1.00 0.00 C ATOM 765 CD1 PHE A 47 4.224 -4.708 12.706 1.00 0.00 C ATOM 766 CD2 PHE A 47 4.379 -2.799 11.286 1.00 0.00 C ATOM 767 CE1 PHE A 47 4.200 -3.884 13.815 1.00 0.00 C ATOM 768 CE2 PHE A 47 4.354 -1.971 12.393 1.00 0.00 C ATOM 769 CZ PHE A 47 4.264 -2.514 13.658 1.00 0.00 C ATOM 0 H PHE A 47 7.033 -5.836 9.814 1.00 0.00 H new ATOM 0 HA PHE A 47 4.725 -6.881 11.325 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.806 -4.529 9.392 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.327 -5.304 9.923 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.172 -5.779 12.836 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.450 -2.368 10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.131 -4.312 14.804 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.405 -0.900 12.267 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.244 -1.869 14.524 1.00 0.00 H new ATOM 779 N THR A 48 3.693 -7.784 9.071 1.00 0.00 N ATOM 780 CA THR A 48 3.365 -8.663 7.955 1.00 0.00 C ATOM 781 C THR A 48 2.179 -8.111 7.170 1.00 0.00 C ATOM 782 O THR A 48 1.111 -7.870 7.733 1.00 0.00 O ATOM 783 CB THR A 48 3.040 -10.067 8.461 1.00 0.00 C ATOM 784 OG1 THR A 48 3.758 -10.351 9.649 1.00 0.00 O ATOM 785 CG2 THR A 48 3.362 -11.154 7.458 1.00 0.00 C ATOM 0 H THR A 48 2.912 -7.591 9.698 1.00 0.00 H new ATOM 0 HA THR A 48 4.231 -8.715 7.296 1.00 0.00 H new ATOM 0 HB THR A 48 1.965 -10.068 8.640 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.535 -11.254 9.958 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.107 -12.126 7.881 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.785 -10.992 6.548 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.426 -11.128 7.223 1.00 0.00 H new ATOM 793 N VAL A 49 2.369 -7.913 5.869 1.00 0.00 N ATOM 794 CA VAL A 49 1.305 -7.391 5.018 1.00 0.00 C ATOM 795 C VAL A 49 0.542 -8.521 4.343 1.00 0.00 C ATOM 796 O VAL A 49 1.112 -9.295 3.575 1.00 0.00 O ATOM 797 CB VAL A 49 1.851 -6.451 3.927 1.00 0.00 C ATOM 798 CG1 VAL A 49 0.714 -5.692 3.260 1.00 0.00 C ATOM 799 CG2 VAL A 49 2.874 -5.488 4.506 1.00 0.00 C ATOM 0 H VAL A 49 3.245 -8.105 5.383 1.00 0.00 H new ATOM 0 HA VAL A 49 0.637 -6.829 5.670 1.00 0.00 H new ATOM 0 HB VAL A 49 2.349 -7.058 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.118 -5.033 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.022 -6.400 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.186 -5.099 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.246 -4.834 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.407 -4.886 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.704 -6.052 4.931 1.00 0.00 H new ATOM 809 N LYS A 50 -0.751 -8.606 4.626 1.00 0.00 N ATOM 810 CA LYS A 50 -1.594 -9.639 4.037 1.00 0.00 C ATOM 811 C LYS A 50 -2.707 -9.008 3.207 1.00 0.00 C ATOM 812 O LYS A 50 -3.601 -8.355 3.744 1.00 0.00 O ATOM 813 CB LYS A 50 -2.188 -10.533 5.129 1.00 0.00 C ATOM 814 CG LYS A 50 -1.573 -11.922 5.179 1.00 0.00 C ATOM 815 CD LYS A 50 -1.948 -12.651 6.459 1.00 0.00 C ATOM 816 CE LYS A 50 -1.831 -14.158 6.297 1.00 0.00 C ATOM 817 NZ LYS A 50 -1.309 -14.810 7.529 1.00 0.00 N ATOM 0 H LYS A 50 -1.239 -7.973 5.259 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.977 -10.255 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.052 -10.050 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.262 -10.626 4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.908 -12.501 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.488 -11.844 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.300 -12.320 7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.969 -12.392 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.808 -14.574 6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.171 -14.383 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.244 -15.837 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.365 -14.432 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.952 -14.617 8.323 1.00 0.00 H new ATOM 831 N GLU A 51 -2.646 -9.201 1.896 1.00 0.00 N ATOM 832 CA GLU A 51 -3.650 -8.643 1.003 1.00 0.00 C ATOM 833 C GLU A 51 -4.677 -9.697 0.608 1.00 0.00 C ATOM 834 O GLU A 51 -4.363 -10.884 0.518 1.00 0.00 O ATOM 835 CB GLU A 51 -2.987 -8.059 -0.246 1.00 0.00 C ATOM 836 CG GLU A 51 -3.452 -6.651 -0.579 1.00 0.00 C ATOM 837 CD GLU A 51 -4.724 -6.636 -1.405 1.00 0.00 C ATOM 838 OE1 GLU A 51 -5.793 -6.971 -0.854 1.00 0.00 O ATOM 839 OE2 GLU A 51 -4.650 -6.290 -2.603 1.00 0.00 O ATOM 0 H GLU A 51 -1.915 -9.738 1.430 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.167 -7.844 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.906 -8.052 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.193 -8.711 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.618 -6.099 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.664 -6.131 -1.124 1.00 0.00 H new ATOM 846 N SER A 52 -5.906 -9.253 0.373 1.00 0.00 N ATOM 847 CA SER A 52 -6.983 -10.155 -0.013 1.00 0.00 C ATOM 848 C SER A 52 -7.831 -9.543 -1.122 1.00 0.00 C ATOM 849 O SER A 52 -8.090 -8.338 -1.128 1.00 0.00 O ATOM 850 CB SER A 52 -7.862 -10.483 1.196 1.00 0.00 C ATOM 851 OG SER A 52 -7.074 -10.802 2.329 1.00 0.00 O ATOM 0 H SER A 52 -6.181 -8.273 0.443 1.00 0.00 H new ATOM 0 HA SER A 52 -6.536 -11.076 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.504 -9.632 1.424 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.516 -11.321 0.957 1.00 0.00 H new ATOM 0 HG SER A 52 -7.658 -11.068 3.070 1.00 0.00 H new ATOM 857 N SER A 53 -8.257 -10.382 -2.060 1.00 0.00 N ATOM 858 CA SER A 53 -9.075 -9.931 -3.179 1.00 0.00 C ATOM 859 C SER A 53 -10.015 -11.039 -3.642 1.00 0.00 C ATOM 860 O SER A 53 -10.098 -12.096 -3.018 1.00 0.00 O ATOM 861 CB SER A 53 -8.185 -9.482 -4.339 1.00 0.00 C ATOM 862 OG SER A 53 -7.309 -8.442 -3.937 1.00 0.00 O ATOM 0 H SER A 53 -8.049 -11.380 -2.067 1.00 0.00 H new ATOM 0 HA SER A 53 -9.675 -9.085 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.605 -10.329 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.806 -9.139 -5.166 1.00 0.00 H new ATOM 0 HG SER A 53 -6.481 -8.491 -4.460 1.00 0.00 H new ATOM 868 N ALA A 54 -10.721 -10.789 -4.740 1.00 0.00 N ATOM 869 CA ALA A 54 -11.654 -11.767 -5.286 1.00 0.00 C ATOM 870 C ALA A 54 -11.049 -12.517 -6.471 1.00 0.00 C ATOM 871 O ALA A 54 -11.588 -13.533 -6.910 1.00 0.00 O ATOM 872 CB ALA A 54 -12.949 -11.083 -5.699 1.00 0.00 C ATOM 0 H ALA A 54 -10.665 -9.918 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.869 -12.497 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.638 -11.823 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.401 -10.605 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.737 -10.330 -6.458 1.00 0.00 H new ATOM 878 N PHE A 55 -9.932 -12.012 -6.990 1.00 0.00 N ATOM 879 CA PHE A 55 -9.267 -12.641 -8.126 1.00 0.00 C ATOM 880 C PHE A 55 -7.962 -13.311 -7.703 1.00 0.00 C ATOM 881 O PHE A 55 -7.512 -14.266 -8.336 1.00 0.00 O ATOM 882 CB PHE A 55 -8.991 -11.605 -9.217 1.00 0.00 C ATOM 883 CG PHE A 55 -10.098 -11.486 -10.225 1.00 0.00 C ATOM 884 CD1 PHE A 55 -11.299 -10.884 -9.887 1.00 0.00 C ATOM 885 CD2 PHE A 55 -9.937 -11.976 -11.511 1.00 0.00 C ATOM 886 CE1 PHE A 55 -12.319 -10.772 -10.812 1.00 0.00 C ATOM 887 CE2 PHE A 55 -10.954 -11.867 -12.441 1.00 0.00 C ATOM 888 CZ PHE A 55 -12.146 -11.265 -12.091 1.00 0.00 C ATOM 0 H PHE A 55 -9.470 -11.171 -6.642 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.932 -13.410 -8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.829 -10.633 -8.751 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.068 -11.869 -9.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.440 -10.498 -8.888 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.007 -12.448 -11.790 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.250 -10.300 -10.536 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.816 -12.252 -13.440 1.00 0.00 H new ATOM 0 HZ PHE A 55 -12.942 -11.180 -12.816 1.00 0.00 H new ATOM 898 N ARG A 56 -7.355 -12.805 -6.633 1.00 0.00 N ATOM 899 CA ARG A 56 -6.101 -13.360 -6.136 1.00 0.00 C ATOM 900 C ARG A 56 -5.810 -12.877 -4.718 1.00 0.00 C ATOM 901 O ARG A 56 -6.658 -12.256 -4.077 1.00 0.00 O ATOM 902 CB ARG A 56 -4.948 -12.977 -7.066 1.00 0.00 C ATOM 903 CG ARG A 56 -4.645 -11.487 -7.080 1.00 0.00 C ATOM 904 CD ARG A 56 -3.516 -11.157 -8.042 1.00 0.00 C ATOM 905 NE ARG A 56 -2.645 -10.105 -7.525 1.00 0.00 N ATOM 906 CZ ARG A 56 -3.021 -8.836 -7.381 1.00 0.00 C ATOM 907 NH1 ARG A 56 -4.250 -8.458 -7.711 1.00 0.00 N ATOM 908 NH2 ARG A 56 -2.165 -7.942 -6.906 1.00 0.00 N ATOM 0 H ARG A 56 -7.710 -12.014 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.198 -14.445 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.052 -13.518 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.187 -13.300 -8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.541 -10.935 -7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.376 -11.160 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.927 -12.055 -8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.935 -10.843 -8.998 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.693 -10.357 -7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.913 -9.141 -8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.532 -7.484 -7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.219 -8.227 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.452 -6.970 -6.795 1.00 0.00 H new ATOM 922 N ASN A 57 -4.606 -13.169 -4.233 1.00 0.00 N ATOM 923 CA ASN A 57 -4.205 -12.766 -2.890 1.00 0.00 C ATOM 924 C ASN A 57 -2.740 -12.338 -2.861 1.00 0.00 C ATOM 925 O ASN A 57 -1.871 -13.020 -3.404 1.00 0.00 O ATOM 926 CB ASN A 57 -4.431 -13.914 -1.904 1.00 0.00 C ATOM 927 CG ASN A 57 -4.546 -13.431 -0.472 1.00 0.00 C ATOM 928 OD1 ASN A 57 -3.541 -13.217 0.206 1.00 0.00 O ATOM 929 ND2 ASN A 57 -5.776 -13.257 -0.003 1.00 0.00 N ATOM 0 H ASN A 57 -3.892 -13.683 -4.750 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.818 -11.914 -2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.339 -14.451 -2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.606 -14.623 -1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.916 -12.934 0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.581 -13.446 -0.600 1.00 0.00 H new ATOM 936 N ILE A 58 -2.474 -11.204 -2.220 1.00 0.00 N ATOM 937 CA ILE A 58 -1.116 -10.681 -2.113 1.00 0.00 C ATOM 938 C ILE A 58 -0.669 -10.644 -0.657 1.00 0.00 C ATOM 939 O ILE A 58 -1.493 -10.722 0.252 1.00 0.00 O ATOM 940 CB ILE A 58 -1.000 -9.266 -2.722 1.00 0.00 C ATOM 941 CG1 ILE A 58 -1.762 -9.186 -4.051 1.00 0.00 C ATOM 942 CG2 ILE A 58 0.461 -8.894 -2.920 1.00 0.00 C ATOM 943 CD1 ILE A 58 -2.748 -8.037 -4.119 1.00 0.00 C ATOM 0 H ILE A 58 -3.183 -10.628 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.467 -11.352 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.448 -8.554 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.045 -9.086 -4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.297 -10.122 -4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.527 -7.894 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.974 -8.910 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.931 -9.610 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.249 -8.044 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.488 -8.146 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.217 -7.094 -3.992 1.00 0.00 H new ATOM 955 N GLU A 59 0.637 -10.538 -0.438 1.00 0.00 N ATOM 956 CA GLU A 59 1.177 -10.504 0.913 1.00 0.00 C ATOM 957 C GLU A 59 2.664 -10.163 0.900 1.00 0.00 C ATOM 958 O GLU A 59 3.380 -10.499 -0.043 1.00 0.00 O ATOM 959 CB GLU A 59 0.948 -11.855 1.596 1.00 0.00 C ATOM 960 CG GLU A 59 1.529 -11.943 2.996 1.00 0.00 C ATOM 961 CD GLU A 59 1.759 -13.373 3.443 1.00 0.00 C ATOM 962 OE1 GLU A 59 0.813 -14.183 3.353 1.00 0.00 O ATOM 963 OE2 GLU A 59 2.886 -13.684 3.884 1.00 0.00 O ATOM 0 H GLU A 59 1.338 -10.474 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 59 0.659 -9.725 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.123 -12.049 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.387 -12.641 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.473 -11.400 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.854 -11.451 3.697 1.00 0.00 H new ATOM 970 N VAL A 60 3.123 -9.494 1.955 1.00 0.00 N ATOM 971 CA VAL A 60 4.524 -9.110 2.065 1.00 0.00 C ATOM 972 C VAL A 60 4.875 -8.678 3.487 1.00 0.00 C ATOM 973 O VAL A 60 4.247 -7.781 4.046 1.00 0.00 O ATOM 974 CB VAL A 60 4.868 -7.963 1.090 1.00 0.00 C ATOM 975 CG1 VAL A 60 4.019 -6.731 1.379 1.00 0.00 C ATOM 976 CG2 VAL A 60 6.349 -7.624 1.164 1.00 0.00 C ATOM 0 H VAL A 60 2.544 -9.208 2.744 1.00 0.00 H new ATOM 0 HA VAL A 60 5.112 -9.990 1.806 1.00 0.00 H new ATOM 0 HB VAL A 60 4.643 -8.299 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.280 -5.937 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.964 -6.982 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.205 -6.392 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.572 -6.814 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.601 -7.313 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.937 -8.502 0.897 1.00 0.00 H new ATOM 986 N VAL A 61 5.892 -9.311 4.063 1.00 0.00 N ATOM 987 CA VAL A 61 6.333 -8.973 5.411 1.00 0.00 C ATOM 988 C VAL A 61 7.332 -7.824 5.356 1.00 0.00 C ATOM 989 O VAL A 61 8.023 -7.648 4.353 1.00 0.00 O ATOM 990 CB VAL A 61 6.971 -10.183 6.122 1.00 0.00 C ATOM 991 CG1 VAL A 61 8.200 -10.660 5.367 1.00 0.00 C ATOM 992 CG2 VAL A 61 7.321 -9.840 7.563 1.00 0.00 C ATOM 0 H VAL A 61 6.425 -10.059 3.619 1.00 0.00 H new ATOM 0 HA VAL A 61 5.455 -8.672 5.983 1.00 0.00 H new ATOM 0 HB VAL A 61 6.243 -10.994 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.636 -11.514 5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.915 -10.954 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.932 -9.854 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.770 -10.709 8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.028 -9.011 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.416 -9.555 8.099 1.00 0.00 H new ATOM 1002 N PHE A 62 7.398 -7.026 6.418 1.00 0.00 N ATOM 1003 CA PHE A 62 8.308 -5.889 6.434 1.00 0.00 C ATOM 1004 C PHE A 62 8.794 -5.569 7.834 1.00 0.00 C ATOM 1005 O PHE A 62 8.266 -6.075 8.819 1.00 0.00 O ATOM 1006 CB PHE A 62 7.623 -4.670 5.834 1.00 0.00 C ATOM 1007 CG PHE A 62 7.478 -4.742 4.345 1.00 0.00 C ATOM 1008 CD1 PHE A 62 8.594 -4.843 3.532 1.00 0.00 C ATOM 1009 CD2 PHE A 62 6.225 -4.695 3.756 1.00 0.00 C ATOM 1010 CE1 PHE A 62 8.464 -4.895 2.160 1.00 0.00 C ATOM 1011 CE2 PHE A 62 6.090 -4.746 2.384 1.00 0.00 C ATOM 1012 CZ PHE A 62 7.210 -4.844 1.584 1.00 0.00 C ATOM 0 H PHE A 62 6.842 -7.143 7.265 1.00 0.00 H new ATOM 0 HA PHE A 62 9.179 -6.156 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.636 -4.559 6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 62 8.193 -3.778 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.577 -4.881 3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.345 -4.618 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.342 -4.976 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.108 -4.709 1.936 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.106 -4.881 0.510 1.00 0.00 H new ATOM 1022 N GLU A 63 9.817 -4.729 7.901 1.00 0.00 N ATOM 1023 CA GLU A 63 10.405 -4.332 9.167 1.00 0.00 C ATOM 1024 C GLU A 63 10.621 -2.825 9.220 1.00 0.00 C ATOM 1025 O GLU A 63 11.042 -2.210 8.240 1.00 0.00 O ATOM 1026 CB GLU A 63 11.731 -5.059 9.361 1.00 0.00 C ATOM 1027 CG GLU A 63 12.234 -5.046 10.795 1.00 0.00 C ATOM 1028 CD GLU A 63 13.722 -5.316 10.893 1.00 0.00 C ATOM 1029 OE1 GLU A 63 14.110 -6.503 10.922 1.00 0.00 O ATOM 1030 OE2 GLU A 63 14.501 -4.340 10.943 1.00 0.00 O ATOM 0 H GLU A 63 10.258 -4.307 7.084 1.00 0.00 H new ATOM 0 HA GLU A 63 9.719 -4.602 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.619 -6.093 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.483 -4.602 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.014 -4.078 11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.694 -5.796 11.373 1.00 0.00 H new ATOM 1037 N LEU A 64 10.331 -2.239 10.375 1.00 0.00 N ATOM 1038 CA LEU A 64 10.493 -0.805 10.569 1.00 0.00 C ATOM 1039 C LEU A 64 11.947 -0.397 10.351 1.00 0.00 C ATOM 1040 O LEU A 64 12.823 -0.756 11.139 1.00 0.00 O ATOM 1041 CB LEU A 64 10.050 -0.422 11.982 1.00 0.00 C ATOM 1042 CG LEU A 64 8.672 -0.941 12.406 1.00 0.00 C ATOM 1043 CD1 LEU A 64 8.216 -0.255 13.684 1.00 0.00 C ATOM 1044 CD2 LEU A 64 7.648 -0.736 11.299 1.00 0.00 C ATOM 0 H LEU A 64 9.981 -2.737 11.193 1.00 0.00 H new ATOM 0 HA LEU A 64 9.873 -0.281 9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.792 -0.793 12.689 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.049 0.665 12.061 1.00 0.00 H new ATOM 0 HG LEU A 64 8.757 -2.011 12.595 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.236 -0.635 13.971 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.931 -0.458 14.481 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.154 0.820 13.517 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.679 -1.113 11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.566 0.327 11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.965 -1.275 10.406 1.00 0.00 H new ATOM 1056 N GLY A 65 12.206 0.342 9.275 1.00 0.00 N ATOM 1057 CA GLY A 65 13.563 0.763 8.982 1.00 0.00 C ATOM 1058 C GLY A 65 14.233 -0.151 7.984 1.00 0.00 C ATOM 1059 O GLY A 65 15.460 -0.232 7.924 1.00 0.00 O ATOM 0 H GLY A 65 11.504 0.655 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.551 1.781 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.144 0.782 9.904 1.00 0.00 H new ATOM 1063 N VAL A 66 13.419 -0.838 7.195 1.00 0.00 N ATOM 1064 CA VAL A 66 13.922 -1.750 6.186 1.00 0.00 C ATOM 1065 C VAL A 66 13.239 -1.494 4.853 1.00 0.00 C ATOM 1066 O VAL A 66 12.051 -1.168 4.795 1.00 0.00 O ATOM 1067 CB VAL A 66 13.739 -3.216 6.621 1.00 0.00 C ATOM 1068 CG1 VAL A 66 14.244 -4.168 5.546 1.00 0.00 C ATOM 1069 CG2 VAL A 66 14.466 -3.448 7.936 1.00 0.00 C ATOM 0 H VAL A 66 12.402 -0.778 7.238 1.00 0.00 H new ATOM 0 HA VAL A 66 14.990 -1.570 6.068 1.00 0.00 H new ATOM 0 HB VAL A 66 12.677 -3.415 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.104 -5.197 5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.687 -4.004 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.304 -3.985 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.337 -4.485 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.528 -3.237 7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.055 -2.788 8.700 1.00 0.00 H new ATOM 1079 N THR A 67 14.017 -1.607 3.792 1.00 0.00 N ATOM 1080 CA THR A 67 13.533 -1.357 2.446 1.00 0.00 C ATOM 1081 C THR A 67 12.303 -2.197 2.102 1.00 0.00 C ATOM 1082 O THR A 67 12.205 -3.368 2.467 1.00 0.00 O ATOM 1083 CB THR A 67 14.663 -1.619 1.446 1.00 0.00 C ATOM 1084 OG1 THR A 67 15.541 -0.509 1.387 1.00 0.00 O ATOM 1085 CG2 THR A 67 14.188 -1.899 0.034 1.00 0.00 C ATOM 0 H THR A 67 15.000 -1.874 3.838 1.00 0.00 H new ATOM 0 HA THR A 67 13.222 -0.314 2.389 1.00 0.00 H new ATOM 0 HB THR A 67 15.164 -2.513 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.032 0.300 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.049 -2.074 -0.611 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.549 -2.782 0.034 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.624 -1.043 -0.337 1.00 0.00 H new ATOM 1093 N PHE A 68 11.383 -1.577 1.366 1.00 0.00 N ATOM 1094 CA PHE A 68 10.164 -2.235 0.920 1.00 0.00 C ATOM 1095 C PHE A 68 10.469 -3.044 -0.337 1.00 0.00 C ATOM 1096 O PHE A 68 11.501 -2.834 -0.974 1.00 0.00 O ATOM 1097 CB PHE A 68 9.072 -1.188 0.637 1.00 0.00 C ATOM 1098 CG PHE A 68 7.819 -1.353 1.461 1.00 0.00 C ATOM 1099 CD1 PHE A 68 7.875 -1.851 2.752 1.00 0.00 C ATOM 1100 CD2 PHE A 68 6.578 -1.011 0.938 1.00 0.00 C ATOM 1101 CE1 PHE A 68 6.724 -2.005 3.500 1.00 0.00 C ATOM 1102 CE2 PHE A 68 5.426 -1.166 1.684 1.00 0.00 C ATOM 1103 CZ PHE A 68 5.500 -1.665 2.965 1.00 0.00 C ATOM 0 H PHE A 68 11.464 -0.606 1.064 1.00 0.00 H new ATOM 0 HA PHE A 68 9.799 -2.904 1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.483 -0.195 0.818 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.806 -1.235 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.829 -2.122 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.513 -0.618 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.783 -2.393 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.469 -0.896 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.601 -1.790 3.550 1.00 0.00 H new ATOM 1113 N ASN A 69 9.589 -3.971 -0.690 1.00 0.00 N ATOM 1114 CA ASN A 69 9.811 -4.801 -1.869 1.00 0.00 C ATOM 1115 C ASN A 69 8.516 -5.078 -2.624 1.00 0.00 C ATOM 1116 O ASN A 69 7.471 -5.332 -2.024 1.00 0.00 O ATOM 1117 CB ASN A 69 10.466 -6.123 -1.466 1.00 0.00 C ATOM 1118 CG ASN A 69 11.980 -6.036 -1.447 1.00 0.00 C ATOM 1119 OD1 ASN A 69 12.652 -6.510 -2.363 1.00 0.00 O ATOM 1120 ND2 ASN A 69 12.524 -5.428 -0.399 1.00 0.00 N ATOM 0 H ASN A 69 8.725 -4.167 -0.185 1.00 0.00 H new ATOM 0 HA ASN A 69 10.474 -4.249 -2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.109 -6.416 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.158 -6.904 -2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.538 -5.339 -0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.928 -5.050 0.337 1.00 0.00 H new ATOM 1127 N TYR A 70 8.605 -5.035 -3.949 1.00 0.00 N ATOM 1128 CA TYR A 70 7.458 -5.288 -4.810 1.00 0.00 C ATOM 1129 C TYR A 70 7.892 -5.322 -6.272 1.00 0.00 C ATOM 1130 O TYR A 70 7.887 -4.298 -6.951 1.00 0.00 O ATOM 1131 CB TYR A 70 6.387 -4.213 -4.603 1.00 0.00 C ATOM 1132 CG TYR A 70 5.071 -4.759 -4.098 1.00 0.00 C ATOM 1133 CD1 TYR A 70 4.140 -5.302 -4.974 1.00 0.00 C ATOM 1134 CD2 TYR A 70 4.759 -4.731 -2.744 1.00 0.00 C ATOM 1135 CE1 TYR A 70 2.935 -5.801 -4.516 1.00 0.00 C ATOM 1136 CE2 TYR A 70 3.557 -5.229 -2.279 1.00 0.00 C ATOM 1137 CZ TYR A 70 2.649 -5.762 -3.168 1.00 0.00 C ATOM 1138 OH TYR A 70 1.450 -6.258 -2.709 1.00 0.00 O ATOM 0 H TYR A 70 9.467 -4.825 -4.452 1.00 0.00 H new ATOM 0 HA TYR A 70 7.035 -6.257 -4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.759 -3.473 -3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.217 -3.694 -5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.361 -5.335 -6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.467 -4.313 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.221 -6.219 -5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.330 -5.201 -1.223 1.00 0.00 H new ATOM 0 HH TYR A 70 1.405 -6.156 -1.735 1.00 0.00 H new ATOM 1148 N ASN A 71 8.277 -6.504 -6.748 1.00 0.00 N ATOM 1149 CA ASN A 71 8.722 -6.659 -8.130 1.00 0.00 C ATOM 1150 C ASN A 71 8.411 -8.055 -8.661 1.00 0.00 C ATOM 1151 O ASN A 71 8.650 -9.056 -7.985 1.00 0.00 O ATOM 1152 CB ASN A 71 10.225 -6.387 -8.234 1.00 0.00 C ATOM 1153 CG ASN A 71 11.048 -7.374 -7.430 1.00 0.00 C ATOM 1154 OD1 ASN A 71 10.622 -7.841 -6.373 1.00 0.00 O ATOM 1155 ND2 ASN A 71 12.237 -7.697 -7.928 1.00 0.00 N ATOM 0 H ASN A 71 8.290 -7.364 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 71 8.180 -5.935 -8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.528 -6.432 -9.280 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.433 -5.375 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.836 -8.356 -7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.550 -7.286 -8.807 1.00 0.00 H new ATOM 1162 N LEU A 72 7.879 -8.110 -9.880 1.00 0.00 N ATOM 1163 CA LEU A 72 7.533 -9.378 -10.519 1.00 0.00 C ATOM 1164 C LEU A 72 6.814 -9.132 -11.841 1.00 0.00 C ATOM 1165 O LEU A 72 6.440 -8.000 -12.152 1.00 0.00 O ATOM 1166 CB LEU A 72 6.649 -10.224 -9.598 1.00 0.00 C ATOM 1167 CG LEU A 72 5.443 -9.492 -9.004 1.00 0.00 C ATOM 1168 CD1 LEU A 72 4.228 -10.406 -8.966 1.00 0.00 C ATOM 1169 CD2 LEU A 72 5.766 -8.976 -7.610 1.00 0.00 C ATOM 0 H LEU A 72 7.677 -7.287 -10.448 1.00 0.00 H new ATOM 0 HA LEU A 72 8.458 -9.921 -10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.291 -11.088 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.262 -10.605 -8.781 1.00 0.00 H new ATOM 0 HG LEU A 72 5.211 -8.639 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.381 -9.868 -8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.983 -10.727 -9.978 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.449 -11.279 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.897 -8.458 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.025 -9.814 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.608 -8.285 -7.664 1.00 0.00 H new ATOM 1181 N ALA A 73 6.616 -10.196 -12.617 1.00 0.00 N ATOM 1182 CA ALA A 73 5.934 -10.088 -13.905 1.00 0.00 C ATOM 1183 C ALA A 73 4.642 -9.290 -13.767 1.00 0.00 C ATOM 1184 O ALA A 73 4.378 -8.371 -14.542 1.00 0.00 O ATOM 1185 CB ALA A 73 5.645 -11.472 -14.468 1.00 0.00 C ATOM 0 H ALA A 73 6.917 -11.140 -12.377 1.00 0.00 H new ATOM 0 HA ALA A 73 6.590 -9.559 -14.597 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.137 -11.376 -15.427 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.582 -12.012 -14.606 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.009 -12.022 -13.774 1.00 0.00 H new ATOM 1191 N ASP A 74 3.850 -9.641 -12.760 1.00 0.00 N ATOM 1192 CA ASP A 74 2.592 -8.956 -12.494 1.00 0.00 C ATOM 1193 C ASP A 74 2.641 -8.300 -11.119 1.00 0.00 C ATOM 1194 O ASP A 74 2.247 -8.899 -10.119 1.00 0.00 O ATOM 1195 CB ASP A 74 1.422 -9.939 -12.572 1.00 0.00 C ATOM 1196 CG ASP A 74 0.440 -9.583 -13.672 1.00 0.00 C ATOM 1197 OD1 ASP A 74 -0.426 -8.715 -13.436 1.00 0.00 O ATOM 1198 OD2 ASP A 74 0.537 -10.173 -14.768 1.00 0.00 O ATOM 0 H ASP A 74 4.059 -10.400 -12.112 1.00 0.00 H new ATOM 0 HA ASP A 74 2.444 -8.185 -13.250 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.807 -10.944 -12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.901 -9.956 -11.615 1.00 0.00 H new ATOM 1203 N GLY A 75 3.144 -7.070 -11.075 1.00 0.00 N ATOM 1204 CA GLY A 75 3.257 -6.358 -9.820 1.00 0.00 C ATOM 1205 C GLY A 75 4.166 -5.157 -9.949 1.00 0.00 C ATOM 1206 O GLY A 75 4.115 -4.234 -9.137 1.00 0.00 O ATOM 0 H GLY A 75 3.476 -6.554 -11.890 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.269 -6.035 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.644 -7.029 -9.053 1.00 0.00 H new ATOM 1210 N THR A 76 4.992 -5.169 -10.994 1.00 0.00 N ATOM 1211 CA THR A 76 5.906 -4.088 -11.267 1.00 0.00 C ATOM 1212 C THR A 76 6.903 -3.911 -10.128 1.00 0.00 C ATOM 1213 O THR A 76 6.568 -4.102 -8.960 1.00 0.00 O ATOM 1214 CB THR A 76 5.105 -2.822 -11.502 1.00 0.00 C ATOM 1215 OG1 THR A 76 4.277 -2.960 -12.643 1.00 0.00 O ATOM 1216 CG2 THR A 76 5.957 -1.602 -11.702 1.00 0.00 C ATOM 0 H THR A 76 5.038 -5.933 -11.668 1.00 0.00 H new ATOM 0 HA THR A 76 6.487 -4.318 -12.160 1.00 0.00 H new ATOM 0 HB THR A 76 4.514 -2.684 -10.596 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.635 -2.220 -12.672 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.318 -0.734 -11.865 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.572 -1.439 -10.817 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.601 -1.746 -12.570 1.00 0.00 H new ATOM 1224 N GLU A 77 8.136 -3.566 -10.483 1.00 0.00 N ATOM 1225 CA GLU A 77 9.199 -3.385 -9.501 1.00 0.00 C ATOM 1226 C GLU A 77 9.033 -2.089 -8.715 1.00 0.00 C ATOM 1227 O GLU A 77 8.729 -1.037 -9.278 1.00 0.00 O ATOM 1228 CB GLU A 77 10.562 -3.398 -10.194 1.00 0.00 C ATOM 1229 CG GLU A 77 10.768 -4.595 -11.108 1.00 0.00 C ATOM 1230 CD GLU A 77 10.621 -4.240 -12.574 1.00 0.00 C ATOM 1231 OE1 GLU A 77 11.621 -3.806 -13.183 1.00 0.00 O ATOM 1232 OE2 GLU A 77 9.506 -4.396 -13.114 1.00 0.00 O ATOM 0 H GLU A 77 8.425 -3.405 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 77 9.137 -4.213 -8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.673 -2.483 -10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.346 -3.391 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.760 -5.012 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.047 -5.372 -10.852 1.00 0.00 H new ATOM 1239 N LEU A 78 9.252 -2.178 -7.406 1.00 0.00 N ATOM 1240 CA LEU A 78 9.150 -1.033 -6.521 1.00 0.00 C ATOM 1241 C LEU A 78 9.897 -1.325 -5.222 1.00 0.00 C ATOM 1242 O LEU A 78 9.500 -2.200 -4.451 1.00 0.00 O ATOM 1243 CB LEU A 78 7.680 -0.702 -6.232 1.00 0.00 C ATOM 1244 CG LEU A 78 7.039 0.306 -7.193 1.00 0.00 C ATOM 1245 CD1 LEU A 78 5.753 -0.252 -7.779 1.00 0.00 C ATOM 1246 CD2 LEU A 78 6.768 1.630 -6.502 1.00 0.00 C ATOM 0 H LEU A 78 9.504 -3.047 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 78 9.601 -0.168 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.103 -1.626 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.604 -0.312 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 78 7.746 0.484 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.315 0.480 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.970 -1.170 -8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.050 -0.467 -6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.313 2.323 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.090 1.471 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.706 2.048 -6.136 1.00 0.00 H new ATOM 1258 N ARG A 79 10.991 -0.602 -4.997 1.00 0.00 N ATOM 1259 CA ARG A 79 11.806 -0.789 -3.800 1.00 0.00 C ATOM 1260 C ARG A 79 11.976 0.522 -3.036 1.00 0.00 C ATOM 1261 O ARG A 79 12.498 1.497 -3.571 1.00 0.00 O ATOM 1262 CB ARG A 79 13.180 -1.337 -4.183 1.00 0.00 C ATOM 1263 CG ARG A 79 13.923 -1.982 -3.024 1.00 0.00 C ATOM 1264 CD ARG A 79 15.104 -2.808 -3.509 1.00 0.00 C ATOM 1265 NE ARG A 79 16.377 -2.127 -3.284 1.00 0.00 N ATOM 1266 CZ ARG A 79 17.526 -2.499 -3.845 1.00 0.00 C ATOM 1267 NH1 ARG A 79 17.566 -3.543 -4.663 1.00 0.00 N ATOM 1268 NH2 ARG A 79 18.638 -1.825 -3.587 1.00 0.00 N ATOM 0 H ARG A 79 11.334 0.121 -5.630 1.00 0.00 H new ATOM 0 HA ARG A 79 11.293 -1.501 -3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.060 -2.071 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.786 -0.525 -4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.275 -1.209 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.240 -2.618 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.111 -3.769 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.988 -3.017 -4.572 1.00 0.00 H new ATOM 0 HE ARG A 79 16.386 -1.320 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.714 -4.065 -4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 79 18.449 -3.823 -5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.613 -1.022 -2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.518 -2.110 -4.017 1.00 0.00 H new ATOM 1282 N GLY A 80 11.543 0.538 -1.780 1.00 0.00 N ATOM 1283 CA GLY A 80 11.669 1.737 -0.966 1.00 0.00 C ATOM 1284 C GLY A 80 11.961 1.411 0.487 1.00 0.00 C ATOM 1285 O GLY A 80 12.951 0.748 0.783 1.00 0.00 O ATOM 0 H GLY A 80 11.107 -0.256 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.467 2.363 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.748 2.316 -1.029 1.00 0.00 H new ATOM 1289 N THR A 81 11.088 1.858 1.393 1.00 0.00 N ATOM 1290 CA THR A 81 11.245 1.585 2.827 1.00 0.00 C ATOM 1291 C THR A 81 9.910 1.717 3.553 1.00 0.00 C ATOM 1292 O THR A 81 8.910 2.124 2.967 1.00 0.00 O ATOM 1293 CB THR A 81 12.261 2.532 3.471 1.00 0.00 C ATOM 1294 OG1 THR A 81 12.050 3.864 3.040 1.00 0.00 O ATOM 1295 CG2 THR A 81 13.699 2.173 3.169 1.00 0.00 C ATOM 0 H THR A 81 10.263 2.411 1.160 1.00 0.00 H new ATOM 0 HA THR A 81 11.611 0.562 2.919 1.00 0.00 H new ATOM 0 HB THR A 81 12.101 2.433 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.708 4.453 3.464 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.362 2.887 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.909 1.170 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.863 2.204 2.092 1.00 0.00 H new ATOM 1303 N TRP A 82 9.907 1.385 4.840 1.00 0.00 N ATOM 1304 CA TRP A 82 8.700 1.484 5.657 1.00 0.00 C ATOM 1305 C TRP A 82 9.058 1.848 7.091 1.00 0.00 C ATOM 1306 O TRP A 82 9.891 1.193 7.719 1.00 0.00 O ATOM 1307 CB TRP A 82 7.921 0.168 5.637 1.00 0.00 C ATOM 1308 CG TRP A 82 6.495 0.317 6.079 1.00 0.00 C ATOM 1309 CD1 TRP A 82 5.748 1.459 6.061 1.00 0.00 C ATOM 1310 CD2 TRP A 82 5.645 -0.708 6.606 1.00 0.00 C ATOM 1311 NE1 TRP A 82 4.485 1.207 6.539 1.00 0.00 N ATOM 1312 CE2 TRP A 82 4.397 -0.116 6.880 1.00 0.00 C ATOM 1313 CE3 TRP A 82 5.816 -2.067 6.871 1.00 0.00 C ATOM 1314 CZ2 TRP A 82 3.328 -0.839 7.405 1.00 0.00 C ATOM 1315 CZ3 TRP A 82 4.756 -2.784 7.392 1.00 0.00 C ATOM 1316 CH2 TRP A 82 3.525 -2.170 7.653 1.00 0.00 C ATOM 0 H TRP A 82 10.727 1.044 5.341 1.00 0.00 H new ATOM 0 HA TRP A 82 8.071 2.269 5.236 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.940 -0.243 4.627 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.421 -0.553 6.284 1.00 0.00 H new ATOM 0 HD1 TRP A 82 6.099 2.422 5.720 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.735 1.893 6.626 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.761 -2.550 6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.379 -0.366 7.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 4.879 -3.836 7.602 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.715 -2.759 8.058 1.00 0.00 H new ATOM 1327 N SER A 83 8.425 2.893 7.606 1.00 0.00 N ATOM 1328 CA SER A 83 8.679 3.340 8.968 1.00 0.00 C ATOM 1329 C SER A 83 7.380 3.725 9.662 1.00 0.00 C ATOM 1330 O SER A 83 6.641 4.586 9.187 1.00 0.00 O ATOM 1331 CB SER A 83 9.640 4.528 8.967 1.00 0.00 C ATOM 1332 OG SER A 83 10.972 4.108 8.725 1.00 0.00 O ATOM 0 H SER A 83 7.732 3.446 7.102 1.00 0.00 H new ATOM 0 HA SER A 83 9.134 2.515 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.337 5.244 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.587 5.043 9.926 1.00 0.00 H new ATOM 0 HG SER A 83 11.566 4.887 8.728 1.00 0.00 H new ATOM 1338 N LEU A 84 7.108 3.080 10.790 1.00 0.00 N ATOM 1339 CA LEU A 84 5.897 3.356 11.548 1.00 0.00 C ATOM 1340 C LEU A 84 6.198 4.263 12.736 1.00 0.00 C ATOM 1341 O LEU A 84 7.136 4.022 13.495 1.00 0.00 O ATOM 1342 CB LEU A 84 5.261 2.050 12.025 1.00 0.00 C ATOM 1343 CG LEU A 84 4.086 1.562 11.175 1.00 0.00 C ATOM 1344 CD1 LEU A 84 4.529 0.453 10.226 1.00 0.00 C ATOM 1345 CD2 LEU A 84 2.945 1.090 12.066 1.00 0.00 C ATOM 0 H LEU A 84 7.709 2.364 11.198 1.00 0.00 H new ATOM 0 HA LEU A 84 5.193 3.871 10.894 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.026 1.274 12.042 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.919 2.182 13.051 1.00 0.00 H new ATOM 0 HG LEU A 84 3.727 2.396 10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.678 0.121 9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.309 0.830 9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.918 -0.386 10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.117 0.746 11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.291 0.271 12.696 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.609 1.915 12.695 1.00 0.00 H new ATOM 1357 N GLU A 85 5.395 5.310 12.885 1.00 0.00 N ATOM 1358 CA GLU A 85 5.570 6.262 13.974 1.00 0.00 C ATOM 1359 C GLU A 85 4.299 6.369 14.808 1.00 0.00 C ATOM 1360 O GLU A 85 3.392 7.134 14.480 1.00 0.00 O ATOM 1361 CB GLU A 85 5.947 7.635 13.415 1.00 0.00 C ATOM 1362 CG GLU A 85 7.235 7.631 12.607 1.00 0.00 C ATOM 1363 CD GLU A 85 8.401 8.235 13.365 1.00 0.00 C ATOM 1364 OE1 GLU A 85 8.484 9.479 13.433 1.00 0.00 O ATOM 1365 OE2 GLU A 85 9.231 7.463 13.890 1.00 0.00 O ATOM 0 H GLU A 85 4.614 5.521 12.263 1.00 0.00 H new ATOM 0 HA GLU A 85 6.374 5.905 14.617 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.134 7.997 12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.048 8.339 14.241 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.480 6.607 12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.081 8.187 11.682 1.00 0.00 H new ATOM 1372 N GLY A 86 4.238 5.597 15.887 1.00 0.00 N ATOM 1373 CA GLY A 86 3.072 5.621 16.749 1.00 0.00 C ATOM 1374 C GLY A 86 1.847 5.035 16.079 1.00 0.00 C ATOM 1375 O GLY A 86 1.724 3.818 15.949 1.00 0.00 O ATOM 0 H GLY A 86 4.975 4.955 16.180 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.286 5.063 17.661 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.864 6.649 17.046 1.00 0.00 H new ATOM 1379 N ASN A 87 0.939 5.905 15.656 1.00 0.00 N ATOM 1380 CA ASN A 87 -0.286 5.470 14.997 1.00 0.00 C ATOM 1381 C ASN A 87 -0.266 5.814 13.509 1.00 0.00 C ATOM 1382 O ASN A 87 -1.314 5.898 12.872 1.00 0.00 O ATOM 1383 CB ASN A 87 -1.503 6.113 15.664 1.00 0.00 C ATOM 1384 CG ASN A 87 -1.784 5.532 17.036 1.00 0.00 C ATOM 1385 OD1 ASN A 87 -1.406 6.109 18.056 1.00 0.00 O ATOM 1386 ND2 ASN A 87 -2.451 4.384 17.068 1.00 0.00 N ATOM 0 H ASN A 87 1.028 6.916 15.757 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.352 4.387 15.096 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.340 7.187 15.754 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.378 5.976 15.028 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.669 3.946 17.963 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.745 3.941 16.198 1.00 0.00 H new ATOM 1393 N LYS A 88 0.929 6.014 12.960 1.00 0.00 N ATOM 1394 CA LYS A 88 1.071 6.350 11.548 1.00 0.00 C ATOM 1395 C LYS A 88 2.165 5.515 10.890 1.00 0.00 C ATOM 1396 O LYS A 88 3.238 5.320 11.459 1.00 0.00 O ATOM 1397 CB LYS A 88 1.386 7.839 11.387 1.00 0.00 C ATOM 1398 CG LYS A 88 0.337 8.752 12.001 1.00 0.00 C ATOM 1399 CD LYS A 88 0.774 9.266 13.363 1.00 0.00 C ATOM 1400 CE LYS A 88 1.909 10.271 13.242 1.00 0.00 C ATOM 1401 NZ LYS A 88 2.393 10.726 14.574 1.00 0.00 N ATOM 0 H LYS A 88 1.810 5.949 13.470 1.00 0.00 H new ATOM 0 HA LYS A 88 0.126 6.127 11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.352 8.049 11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.480 8.069 10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.152 9.595 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.604 8.211 12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.073 9.732 13.866 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.093 8.429 13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.734 9.821 12.690 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.571 11.132 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.166 11.410 14.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.612 11.178 15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.739 9.908 15.115 1.00 0.00 H new ATOM 1415 N LEU A 89 1.886 5.026 9.685 1.00 0.00 N ATOM 1416 CA LEU A 89 2.847 4.214 8.945 1.00 0.00 C ATOM 1417 C LEU A 89 3.254 4.912 7.651 1.00 0.00 C ATOM 1418 O LEU A 89 2.402 5.283 6.843 1.00 0.00 O ATOM 1419 CB LEU A 89 2.257 2.835 8.625 1.00 0.00 C ATOM 1420 CG LEU A 89 1.120 2.375 9.542 1.00 0.00 C ATOM 1421 CD1 LEU A 89 -0.222 2.838 8.998 1.00 0.00 C ATOM 1422 CD2 LEU A 89 1.139 0.862 9.695 1.00 0.00 C ATOM 0 H LEU A 89 1.002 5.178 9.200 1.00 0.00 H new ATOM 0 HA LEU A 89 3.730 4.084 9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.891 2.845 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.058 2.097 8.670 1.00 0.00 H new ATOM 0 HG LEU A 89 1.267 2.823 10.525 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.019 2.503 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.234 3.926 8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.376 2.418 8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.324 0.552 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.016 0.396 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.090 0.552 10.128 1.00 0.00 H new ATOM 1434 N ILE A 90 4.557 5.092 7.455 1.00 0.00 N ATOM 1435 CA ILE A 90 5.059 5.749 6.253 1.00 0.00 C ATOM 1436 C ILE A 90 5.890 4.796 5.400 1.00 0.00 C ATOM 1437 O ILE A 90 7.059 4.542 5.688 1.00 0.00 O ATOM 1438 CB ILE A 90 5.909 6.990 6.586 1.00 0.00 C ATOM 1439 CG1 ILE A 90 5.294 7.768 7.752 1.00 0.00 C ATOM 1440 CG2 ILE A 90 6.036 7.879 5.356 1.00 0.00 C ATOM 1441 CD1 ILE A 90 5.827 7.351 9.106 1.00 0.00 C ATOM 0 H ILE A 90 5.281 4.794 8.109 1.00 0.00 H new ATOM 0 HA ILE A 90 4.180 6.064 5.691 1.00 0.00 H new ATOM 0 HB ILE A 90 6.904 6.662 6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.483 8.832 7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.213 7.632 7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.638 8.754 5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.516 7.321 4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.045 8.199 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.347 7.944 9.884 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.614 6.295 9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.904 7.513 9.139 1.00 0.00 H new ATOM 1453 N GLY A 91 5.274 4.282 4.341 1.00 0.00 N ATOM 1454 CA GLY A 91 5.953 3.370 3.443 1.00 0.00 C ATOM 1455 C GLY A 91 6.474 4.075 2.209 1.00 0.00 C ATOM 1456 O GLY A 91 6.054 5.191 1.901 1.00 0.00 O ATOM 0 H GLY A 91 4.307 4.484 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.782 2.895 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.268 2.576 3.145 1.00 0.00 H new ATOM 1460 N LYS A 92 7.397 3.435 1.507 1.00 0.00 N ATOM 1461 CA LYS A 92 7.981 4.024 0.313 1.00 0.00 C ATOM 1462 C LYS A 92 8.450 2.951 -0.664 1.00 0.00 C ATOM 1463 O LYS A 92 8.733 1.818 -0.274 1.00 0.00 O ATOM 1464 CB LYS A 92 9.165 4.913 0.704 1.00 0.00 C ATOM 1465 CG LYS A 92 8.799 6.375 0.915 1.00 0.00 C ATOM 1466 CD LYS A 92 8.565 6.705 2.386 1.00 0.00 C ATOM 1467 CE LYS A 92 9.755 6.325 3.254 1.00 0.00 C ATOM 1468 NZ LYS A 92 10.304 7.499 3.987 1.00 0.00 N ATOM 0 H LYS A 92 7.757 2.510 1.743 1.00 0.00 H new ATOM 0 HA LYS A 92 7.214 4.621 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.610 4.525 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.927 4.848 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.597 7.007 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.900 6.608 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.366 7.772 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.677 6.179 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.453 5.559 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.535 5.889 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.113 7.199 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.615 8.220 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.567 7.900 4.602 1.00 0.00 H new ATOM 1482 N PHE A 93 8.559 3.332 -1.931 1.00 0.00 N ATOM 1483 CA PHE A 93 9.028 2.429 -2.976 1.00 0.00 C ATOM 1484 C PHE A 93 9.876 3.195 -3.984 1.00 0.00 C ATOM 1485 O PHE A 93 9.936 4.424 -3.966 1.00 0.00 O ATOM 1486 CB PHE A 93 7.877 1.773 -3.751 1.00 0.00 C ATOM 1487 CG PHE A 93 7.195 0.616 -3.070 1.00 0.00 C ATOM 1488 CD1 PHE A 93 7.872 -0.576 -2.866 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.863 0.700 -2.679 1.00 0.00 C ATOM 1490 CE1 PHE A 93 7.242 -1.660 -2.286 1.00 0.00 C ATOM 1491 CE2 PHE A 93 5.232 -0.381 -2.092 1.00 0.00 C ATOM 1492 CZ PHE A 93 5.921 -1.562 -1.899 1.00 0.00 C ATOM 0 H PHE A 93 8.327 4.268 -2.262 1.00 0.00 H new ATOM 0 HA PHE A 93 9.604 1.652 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.128 2.536 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.262 1.428 -4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.907 -0.659 -3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.316 1.618 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.783 -2.583 -2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.200 -0.302 -1.784 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.426 -2.408 -1.446 1.00 0.00 H new ATOM 1502 N LYS A 94 10.492 2.453 -4.886 1.00 0.00 N ATOM 1503 CA LYS A 94 11.297 3.035 -5.948 1.00 0.00 C ATOM 1504 C LYS A 94 11.289 2.118 -7.160 1.00 0.00 C ATOM 1505 O LYS A 94 11.509 0.913 -7.039 1.00 0.00 O ATOM 1506 CB LYS A 94 12.734 3.301 -5.507 1.00 0.00 C ATOM 1507 CG LYS A 94 13.371 4.448 -6.253 1.00 0.00 C ATOM 1508 CD LYS A 94 13.409 5.712 -5.415 1.00 0.00 C ATOM 1509 CE LYS A 94 14.789 6.327 -5.446 1.00 0.00 C ATOM 1510 NZ LYS A 94 15.101 7.070 -4.194 1.00 0.00 N ATOM 0 H LYS A 94 10.450 1.434 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 94 10.853 3.997 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.748 3.516 -4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.329 2.400 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.385 4.174 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.816 4.637 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.677 6.427 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.130 5.482 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.531 5.543 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.864 7.004 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.057 7.475 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.409 7.835 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.055 6.420 -3.384 1.00 0.00 H new ATOM 1524 N ARG A 95 11.024 2.688 -8.325 1.00 0.00 N ATOM 1525 CA ARG A 95 10.976 1.905 -9.552 1.00 0.00 C ATOM 1526 C ARG A 95 12.373 1.489 -9.984 1.00 0.00 C ATOM 1527 O ARG A 95 13.278 2.319 -10.087 1.00 0.00 O ATOM 1528 CB ARG A 95 10.302 2.694 -10.674 1.00 0.00 C ATOM 1529 CG ARG A 95 8.793 2.786 -10.528 1.00 0.00 C ATOM 1530 CD ARG A 95 8.092 2.639 -11.869 1.00 0.00 C ATOM 1531 NE ARG A 95 8.317 1.323 -12.463 1.00 0.00 N ATOM 1532 CZ ARG A 95 7.855 0.960 -13.658 1.00 0.00 C ATOM 1533 NH1 ARG A 95 7.145 1.810 -14.389 1.00 0.00 N ATOM 1534 NH2 ARG A 95 8.105 -0.256 -14.123 1.00 0.00 N ATOM 0 H ARG A 95 10.840 3.684 -8.448 1.00 0.00 H new ATOM 0 HA ARG A 95 10.389 1.009 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.719 3.701 -10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.539 2.226 -11.630 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.445 2.009 -9.847 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.528 3.744 -10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.022 2.800 -11.738 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.449 3.411 -12.551 1.00 0.00 H new ATOM 0 HE ARG A 95 8.860 0.643 -11.931 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.951 2.747 -14.036 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.794 1.526 -15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.651 -0.913 -13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.751 -0.535 -15.038 1.00 0.00 H new ATOM 1548 N THR A 96 12.531 0.193 -10.231 1.00 0.00 N ATOM 1549 CA THR A 96 13.807 -0.369 -10.651 1.00 0.00 C ATOM 1550 C THR A 96 14.291 0.264 -11.956 1.00 0.00 C ATOM 1551 O THR A 96 15.478 0.210 -12.277 1.00 0.00 O ATOM 1552 CB THR A 96 13.670 -1.889 -10.794 1.00 0.00 C ATOM 1553 OG1 THR A 96 14.209 -2.546 -9.661 1.00 0.00 O ATOM 1554 CG2 THR A 96 14.349 -2.468 -12.021 1.00 0.00 C ATOM 0 H THR A 96 11.781 -0.493 -10.146 1.00 0.00 H new ATOM 0 HA THR A 96 14.556 -0.148 -9.891 1.00 0.00 H new ATOM 0 HB THR A 96 12.598 -2.060 -10.893 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.112 -3.515 -9.768 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.202 -3.548 -12.043 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.918 -2.025 -12.919 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.416 -2.248 -11.984 1.00 0.00 H new ATOM 1562 N ASP A 97 13.369 0.867 -12.704 1.00 0.00 N ATOM 1563 CA ASP A 97 13.709 1.512 -13.971 1.00 0.00 C ATOM 1564 C ASP A 97 14.940 2.405 -13.818 1.00 0.00 C ATOM 1565 O ASP A 97 15.679 2.635 -14.775 1.00 0.00 O ATOM 1566 CB ASP A 97 12.522 2.336 -14.478 1.00 0.00 C ATOM 1567 CG ASP A 97 12.817 3.035 -15.791 1.00 0.00 C ATOM 1568 OD1 ASP A 97 12.695 2.385 -16.850 1.00 0.00 O ATOM 1569 OD2 ASP A 97 13.170 4.233 -15.759 1.00 0.00 O ATOM 0 H ASP A 97 12.381 0.923 -12.455 1.00 0.00 H new ATOM 0 HA ASP A 97 13.940 0.733 -14.698 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.658 1.683 -14.604 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.253 3.079 -13.727 1.00 0.00 H new ATOM 1574 N ASN A 98 15.151 2.901 -12.603 1.00 0.00 N ATOM 1575 CA ASN A 98 16.287 3.766 -12.305 1.00 0.00 C ATOM 1576 C ASN A 98 16.255 4.193 -10.842 1.00 0.00 C ATOM 1577 O ASN A 98 17.295 4.336 -10.199 1.00 0.00 O ATOM 1578 CB ASN A 98 16.273 5.000 -13.211 1.00 0.00 C ATOM 1579 CG ASN A 98 17.667 5.430 -13.624 1.00 0.00 C ATOM 1580 OD1 ASN A 98 18.507 5.746 -12.782 1.00 0.00 O ATOM 1581 ND2 ASN A 98 17.920 5.443 -14.928 1.00 0.00 N ATOM 0 H ASN A 98 14.545 2.717 -11.803 1.00 0.00 H new ATOM 0 HA ASN A 98 17.204 3.207 -12.491 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.683 4.786 -14.102 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.781 5.823 -12.692 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.841 5.723 -15.266 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.194 5.173 -15.591 1.00 0.00 H new ATOM 1588 N GLY A 99 15.047 4.392 -10.328 1.00 0.00 N ATOM 1589 CA GLY A 99 14.873 4.797 -8.952 1.00 0.00 C ATOM 1590 C GLY A 99 13.891 5.941 -8.825 1.00 0.00 C ATOM 1591 O GLY A 99 14.247 7.029 -8.372 1.00 0.00 O ATOM 0 H GLY A 99 14.178 4.278 -10.849 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.521 3.949 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.835 5.096 -8.536 1.00 0.00 H new ATOM 1595 N ASN A 100 12.648 5.694 -9.228 1.00 0.00 N ATOM 1596 CA ASN A 100 11.611 6.717 -9.152 1.00 0.00 C ATOM 1597 C ASN A 100 11.095 6.843 -7.722 1.00 0.00 C ATOM 1598 O ASN A 100 10.998 5.857 -6.998 1.00 0.00 O ATOM 1599 CB ASN A 100 10.465 6.397 -10.111 1.00 0.00 C ATOM 1600 CG ASN A 100 10.857 6.585 -11.564 1.00 0.00 C ATOM 1601 OD1 ASN A 100 10.415 7.528 -12.220 1.00 0.00 O ATOM 1602 ND2 ASN A 100 11.689 5.686 -12.076 1.00 0.00 N ATOM 0 H ASN A 100 12.336 4.800 -9.608 1.00 0.00 H new ATOM 0 HA ASN A 100 12.046 7.671 -9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.141 5.368 -9.955 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.613 7.037 -9.882 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.986 5.762 -13.049 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.031 4.920 -11.496 1.00 0.00 H new ATOM 1609 N GLU A 101 10.791 8.067 -7.315 1.00 0.00 N ATOM 1610 CA GLU A 101 10.321 8.336 -5.968 1.00 0.00 C ATOM 1611 C GLU A 101 8.859 7.985 -5.782 1.00 0.00 C ATOM 1612 O GLU A 101 7.990 8.393 -6.556 1.00 0.00 O ATOM 1613 CB GLU A 101 10.562 9.796 -5.601 1.00 0.00 C ATOM 1614 CG GLU A 101 11.820 9.995 -4.781 1.00 0.00 C ATOM 1615 CD GLU A 101 11.530 10.275 -3.319 1.00 0.00 C ATOM 1616 OE1 GLU A 101 11.327 9.306 -2.558 1.00 0.00 O ATOM 1617 OE2 GLU A 101 11.507 11.463 -2.936 1.00 0.00 O ATOM 0 H GLU A 101 10.863 8.895 -7.906 1.00 0.00 H new ATOM 0 HA GLU A 101 10.894 7.695 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.631 10.389 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.706 10.171 -5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.444 9.105 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.393 10.823 -5.198 1.00 0.00 H new ATOM 1624 N LEU A 102 8.623 7.224 -4.726 1.00 0.00 N ATOM 1625 CA LEU A 102 7.295 6.768 -4.353 1.00 0.00 C ATOM 1626 C LEU A 102 7.107 6.971 -2.852 1.00 0.00 C ATOM 1627 O LEU A 102 7.859 6.424 -2.045 1.00 0.00 O ATOM 1628 CB LEU A 102 7.163 5.298 -4.747 1.00 0.00 C ATOM 1629 CG LEU A 102 5.781 4.646 -4.563 1.00 0.00 C ATOM 1630 CD1 LEU A 102 5.333 4.709 -3.113 1.00 0.00 C ATOM 1631 CD2 LEU A 102 4.740 5.283 -5.464 1.00 0.00 C ATOM 0 H LEU A 102 9.358 6.902 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 102 6.520 7.335 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.446 5.202 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.887 4.726 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 102 5.880 3.599 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.354 4.241 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.052 4.181 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.271 5.750 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.777 4.797 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.654 6.344 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.040 5.166 -6.505 1.00 0.00 H new ATOM 1643 N ASN A 103 6.128 7.787 -2.484 1.00 0.00 N ATOM 1644 CA ASN A 103 5.876 8.093 -1.080 1.00 0.00 C ATOM 1645 C ASN A 103 4.539 7.547 -0.604 1.00 0.00 C ATOM 1646 O ASN A 103 3.571 7.486 -1.361 1.00 0.00 O ATOM 1647 CB ASN A 103 5.912 9.607 -0.855 1.00 0.00 C ATOM 1648 CG ASN A 103 7.042 10.282 -1.609 1.00 0.00 C ATOM 1649 OD1 ASN A 103 7.157 10.149 -2.827 1.00 0.00 O ATOM 1650 ND2 ASN A 103 7.882 11.013 -0.885 1.00 0.00 N ATOM 0 H ASN A 103 5.495 8.249 -3.137 1.00 0.00 H new ATOM 0 HA ASN A 103 6.663 7.609 -0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 103 4.962 10.040 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.019 9.810 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 103 8.661 11.492 -1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 103 7.748 11.095 0.123 1.00 0.00 H new ATOM 1657 N THR A 104 4.498 7.168 0.667 1.00 0.00 N ATOM 1658 CA THR A 104 3.282 6.645 1.274 1.00 0.00 C ATOM 1659 C THR A 104 3.204 7.035 2.744 1.00 0.00 C ATOM 1660 O THR A 104 4.047 6.640 3.547 1.00 0.00 O ATOM 1661 CB THR A 104 3.204 5.121 1.128 1.00 0.00 C ATOM 1662 OG1 THR A 104 3.768 4.472 2.253 1.00 0.00 O ATOM 1663 CG2 THR A 104 3.902 4.591 -0.107 1.00 0.00 C ATOM 0 H THR A 104 5.297 7.214 1.299 1.00 0.00 H new ATOM 0 HA THR A 104 2.433 7.084 0.749 1.00 0.00 H new ATOM 0 HB THR A 104 2.139 4.904 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.435 5.058 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.805 3.506 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.447 5.026 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.958 4.860 -0.072 1.00 0.00 H new ATOM 1671 N VAL A 105 2.182 7.810 3.089 1.00 0.00 N ATOM 1672 CA VAL A 105 1.988 8.252 4.464 1.00 0.00 C ATOM 1673 C VAL A 105 0.634 7.798 4.991 1.00 0.00 C ATOM 1674 O VAL A 105 -0.409 8.134 4.430 1.00 0.00 O ATOM 1675 CB VAL A 105 2.093 9.783 4.583 1.00 0.00 C ATOM 1676 CG1 VAL A 105 2.063 10.209 6.043 1.00 0.00 C ATOM 1677 CG2 VAL A 105 3.357 10.282 3.899 1.00 0.00 C ATOM 0 H VAL A 105 1.475 8.145 2.435 1.00 0.00 H new ATOM 0 HA VAL A 105 2.779 7.800 5.062 1.00 0.00 H new ATOM 0 HB VAL A 105 1.234 10.230 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.138 11.295 6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.128 9.883 6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.901 9.755 6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.417 11.366 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.229 9.829 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.332 10.009 2.844 1.00 0.00 H new ATOM 1687 N ARG A 106 0.658 7.021 6.067 1.00 0.00 N ATOM 1688 CA ARG A 106 -0.565 6.506 6.666 1.00 0.00 C ATOM 1689 C ARG A 106 -0.762 7.053 8.076 1.00 0.00 C ATOM 1690 O ARG A 106 0.127 6.956 8.921 1.00 0.00 O ATOM 1691 CB ARG A 106 -0.524 4.978 6.695 1.00 0.00 C ATOM 1692 CG ARG A 106 -0.255 4.355 5.334 1.00 0.00 C ATOM 1693 CD ARG A 106 -0.018 2.857 5.440 1.00 0.00 C ATOM 1694 NE ARG A 106 -0.060 2.203 4.135 1.00 0.00 N ATOM 1695 CZ ARG A 106 0.068 0.889 3.960 1.00 0.00 C ATOM 1696 NH1 ARG A 106 0.245 0.088 5.003 1.00 0.00 N ATOM 1697 NH2 ARG A 106 0.019 0.376 2.738 1.00 0.00 N ATOM 0 H ARG A 106 1.513 6.734 6.543 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.408 6.834 6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.249 4.656 7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.474 4.604 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.101 4.544 4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.615 4.830 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.951 2.675 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.773 2.416 6.091 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.195 2.787 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.284 0.478 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.342 -0.918 4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.117 0.988 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.117 -0.630 2.603 1.00 0.00 H new ATOM 1711 N GLU A 107 -1.936 7.627 8.321 1.00 0.00 N ATOM 1712 CA GLU A 107 -2.257 8.191 9.628 1.00 0.00 C ATOM 1713 C GLU A 107 -3.622 7.704 10.104 1.00 0.00 C ATOM 1714 O GLU A 107 -4.530 7.496 9.300 1.00 0.00 O ATOM 1715 CB GLU A 107 -2.242 9.721 9.571 1.00 0.00 C ATOM 1716 CG GLU A 107 -1.189 10.292 8.634 1.00 0.00 C ATOM 1717 CD GLU A 107 -0.454 11.474 9.233 1.00 0.00 C ATOM 1718 OE1 GLU A 107 -1.014 12.590 9.220 1.00 0.00 O ATOM 1719 OE2 GLU A 107 0.683 11.285 9.715 1.00 0.00 O ATOM 0 H GLU A 107 -2.682 7.714 7.631 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.499 7.856 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.224 10.073 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.071 10.111 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.471 9.512 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.665 10.599 7.703 1.00 0.00 H new ATOM 1726 N ILE A 108 -3.762 7.524 11.413 1.00 0.00 N ATOM 1727 CA ILE A 108 -5.021 7.062 11.986 1.00 0.00 C ATOM 1728 C ILE A 108 -5.987 8.221 12.200 1.00 0.00 C ATOM 1729 O ILE A 108 -6.087 8.763 13.300 1.00 0.00 O ATOM 1730 CB ILE A 108 -4.803 6.331 13.330 1.00 0.00 C ATOM 1731 CG1 ILE A 108 -4.072 5.003 13.099 1.00 0.00 C ATOM 1732 CG2 ILE A 108 -6.134 6.099 14.045 1.00 0.00 C ATOM 1733 CD1 ILE A 108 -4.978 3.875 12.652 1.00 0.00 C ATOM 0 H ILE A 108 -3.022 7.690 12.095 1.00 0.00 H new ATOM 0 HA ILE A 108 -5.451 6.361 11.270 1.00 0.00 H new ATOM 0 HB ILE A 108 -4.184 6.961 13.969 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.296 5.152 12.348 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.571 4.710 14.021 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.955 5.583 14.988 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.614 7.058 14.241 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.784 5.490 13.416 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.388 2.969 12.509 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.739 3.697 13.412 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.460 4.146 11.713 1.00 0.00 H new ATOM 1745 N ILE A 109 -6.712 8.581 11.150 1.00 0.00 N ATOM 1746 CA ILE A 109 -7.685 9.654 11.237 1.00 0.00 C ATOM 1747 C ILE A 109 -8.962 9.131 11.883 1.00 0.00 C ATOM 1748 O ILE A 109 -9.586 8.200 11.374 1.00 0.00 O ATOM 1749 CB ILE A 109 -7.998 10.245 9.847 1.00 0.00 C ATOM 1750 CG1 ILE A 109 -8.518 11.676 9.978 1.00 0.00 C ATOM 1751 CG2 ILE A 109 -9.003 9.376 9.112 1.00 0.00 C ATOM 1752 CD1 ILE A 109 -7.564 12.604 10.699 1.00 0.00 C ATOM 0 H ILE A 109 -6.643 8.145 10.231 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.263 10.451 11.849 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.076 10.267 9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.716 12.074 8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.469 11.661 10.511 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.211 9.809 8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.594 8.374 8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.926 9.321 9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.999 13.602 10.755 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.384 12.230 11.707 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.620 12.650 10.155 1.00 0.00 H new ATOM 1764 N GLY A 110 -9.338 9.705 13.016 1.00 0.00 N ATOM 1765 CA GLY A 110 -10.529 9.239 13.697 1.00 0.00 C ATOM 1766 C GLY A 110 -10.511 7.738 13.883 1.00 0.00 C ATOM 1767 O GLY A 110 -9.567 7.180 14.442 1.00 0.00 O ATOM 0 H GLY A 110 -8.848 10.475 13.472 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -10.607 9.726 14.669 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.412 9.525 13.125 1.00 0.00 H new ATOM 1771 N ASP A 111 -11.546 7.089 13.386 1.00 0.00 N ATOM 1772 CA ASP A 111 -11.654 5.637 13.460 1.00 0.00 C ATOM 1773 C ASP A 111 -11.260 5.007 12.122 1.00 0.00 C ATOM 1774 O ASP A 111 -11.481 3.818 11.892 1.00 0.00 O ATOM 1775 CB ASP A 111 -13.079 5.226 13.834 1.00 0.00 C ATOM 1776 CG ASP A 111 -14.124 5.939 12.997 1.00 0.00 C ATOM 1777 OD1 ASP A 111 -14.506 7.070 13.361 1.00 0.00 O ATOM 1778 OD2 ASP A 111 -14.560 5.365 11.977 1.00 0.00 O ATOM 0 H ASP A 111 -12.332 7.545 12.922 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.973 5.279 14.232 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.189 4.149 13.707 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.252 5.442 14.888 1.00 0.00 H new ATOM 1783 N GLU A 112 -10.683 5.825 11.240 1.00 0.00 N ATOM 1784 CA GLU A 112 -10.262 5.378 9.920 1.00 0.00 C ATOM 1785 C GLU A 112 -8.809 5.757 9.660 1.00 0.00 C ATOM 1786 O GLU A 112 -8.171 6.412 10.483 1.00 0.00 O ATOM 1787 CB GLU A 112 -11.155 6.018 8.859 1.00 0.00 C ATOM 1788 CG GLU A 112 -12.563 5.454 8.837 1.00 0.00 C ATOM 1789 CD GLU A 112 -13.236 5.610 7.487 1.00 0.00 C ATOM 1790 OE1 GLU A 112 -13.009 6.646 6.827 1.00 0.00 O ATOM 1791 OE2 GLU A 112 -13.989 4.696 7.090 1.00 0.00 O ATOM 0 H GLU A 112 -10.497 6.811 11.424 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.351 4.293 9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.205 7.092 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.700 5.877 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.531 4.397 9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.162 5.955 9.597 1.00 0.00 H new ATOM 1798 N LEU A 113 -8.293 5.349 8.506 1.00 0.00 N ATOM 1799 CA LEU A 113 -6.916 5.662 8.139 1.00 0.00 C ATOM 1800 C LEU A 113 -6.862 6.479 6.855 1.00 0.00 C ATOM 1801 O LEU A 113 -7.459 6.110 5.844 1.00 0.00 O ATOM 1802 CB LEU A 113 -6.091 4.385 7.966 1.00 0.00 C ATOM 1803 CG LEU A 113 -4.606 4.529 8.303 1.00 0.00 C ATOM 1804 CD1 LEU A 113 -4.351 4.137 9.746 1.00 0.00 C ATOM 1805 CD2 LEU A 113 -3.758 3.690 7.358 1.00 0.00 C ATOM 0 H LEU A 113 -8.804 4.804 7.812 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.491 6.252 8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.518 3.605 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.184 4.047 6.934 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.322 5.574 8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.290 4.245 9.970 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.929 4.784 10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.651 3.100 9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.705 3.806 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.040 2.641 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.921 4.021 6.332 1.00 0.00 H new ATOM 1817 N VAL A 114 -6.123 7.578 6.900 1.00 0.00 N ATOM 1818 CA VAL A 114 -5.962 8.440 5.734 1.00 0.00 C ATOM 1819 C VAL A 114 -4.591 8.207 5.112 1.00 0.00 C ATOM 1820 O VAL A 114 -3.567 8.580 5.684 1.00 0.00 O ATOM 1821 CB VAL A 114 -6.117 9.931 6.102 1.00 0.00 C ATOM 1822 CG1 VAL A 114 -5.144 10.321 7.207 1.00 0.00 C ATOM 1823 CG2 VAL A 114 -5.926 10.812 4.875 1.00 0.00 C ATOM 0 H VAL A 114 -5.624 7.896 7.731 1.00 0.00 H new ATOM 0 HA VAL A 114 -6.745 8.188 5.019 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.129 10.085 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.272 11.376 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.340 9.719 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.122 10.148 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.040 11.859 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -4.929 10.653 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -6.673 10.556 4.123 1.00 0.00 H new ATOM 1833 N GLN A 115 -4.576 7.558 3.954 1.00 0.00 N ATOM 1834 CA GLN A 115 -3.326 7.242 3.274 1.00 0.00 C ATOM 1835 C GLN A 115 -3.111 8.111 2.039 1.00 0.00 C ATOM 1836 O GLN A 115 -3.898 8.079 1.095 1.00 0.00 O ATOM 1837 CB GLN A 115 -3.313 5.762 2.888 1.00 0.00 C ATOM 1838 CG GLN A 115 -3.835 4.852 3.990 1.00 0.00 C ATOM 1839 CD GLN A 115 -3.230 3.461 3.947 1.00 0.00 C ATOM 1840 OE1 GLN A 115 -2.691 2.976 4.941 1.00 0.00 O ATOM 1841 NE2 GLN A 115 -3.320 2.811 2.795 1.00 0.00 N ATOM 0 H GLN A 115 -5.414 7.241 3.467 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.507 7.451 3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.918 5.621 1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.294 5.468 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -3.623 5.305 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -4.919 4.773 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -3.776 3.251 1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.934 1.871 2.708 1.00 0.00 H new ATOM 1850 N THR A 116 -2.023 8.876 2.056 1.00 0.00 N ATOM 1851 CA THR A 116 -1.671 9.748 0.942 1.00 0.00 C ATOM 1852 C THR A 116 -0.342 9.312 0.338 1.00 0.00 C ATOM 1853 O THR A 116 0.691 9.335 1.005 1.00 0.00 O ATOM 1854 CB THR A 116 -1.582 11.203 1.407 1.00 0.00 C ATOM 1855 OG1 THR A 116 -2.283 11.385 2.625 1.00 0.00 O ATOM 1856 CG2 THR A 116 -2.143 12.188 0.404 1.00 0.00 C ATOM 0 H THR A 116 -1.366 8.909 2.836 1.00 0.00 H new ATOM 0 HA THR A 116 -2.450 9.673 0.183 1.00 0.00 H new ATOM 0 HB THR A 116 -0.517 11.401 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.213 12.321 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.049 13.200 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.590 12.109 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.195 11.965 0.224 1.00 0.00 H new ATOM 1864 N TYR A 117 -0.376 8.913 -0.927 1.00 0.00 N ATOM 1865 CA TYR A 117 0.823 8.470 -1.617 1.00 0.00 C ATOM 1866 C TYR A 117 1.179 9.444 -2.733 1.00 0.00 C ATOM 1867 O TYR A 117 0.308 10.141 -3.247 1.00 0.00 O ATOM 1868 CB TYR A 117 0.608 7.083 -2.228 1.00 0.00 C ATOM 1869 CG TYR A 117 0.057 6.034 -1.285 1.00 0.00 C ATOM 1870 CD1 TYR A 117 -1.213 6.147 -0.723 1.00 0.00 C ATOM 1871 CD2 TYR A 117 0.810 4.910 -0.975 1.00 0.00 C ATOM 1872 CE1 TYR A 117 -1.705 5.170 0.121 1.00 0.00 C ATOM 1873 CE2 TYR A 117 0.322 3.930 -0.136 1.00 0.00 C ATOM 1874 CZ TYR A 117 -0.933 4.065 0.410 1.00 0.00 C ATOM 1875 OH TYR A 117 -1.419 3.088 1.245 1.00 0.00 O ATOM 0 H TYR A 117 -1.223 8.888 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 117 1.634 8.428 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.072 7.179 -3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.560 6.728 -2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.821 7.010 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.797 4.801 -1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.690 5.271 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.922 3.061 0.091 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.307 2.211 0.822 1.00 0.00 H new ATOM 1885 N VAL A 118 2.450 9.468 -3.130 1.00 0.00 N ATOM 1886 CA VAL A 118 2.887 10.333 -4.215 1.00 0.00 C ATOM 1887 C VAL A 118 4.091 9.733 -4.944 1.00 0.00 C ATOM 1888 O VAL A 118 5.017 9.223 -4.317 1.00 0.00 O ATOM 1889 CB VAL A 118 3.231 11.756 -3.728 1.00 0.00 C ATOM 1890 CG1 VAL A 118 4.407 11.742 -2.763 1.00 0.00 C ATOM 1891 CG2 VAL A 118 3.521 12.658 -4.917 1.00 0.00 C ATOM 0 H VAL A 118 3.189 8.900 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 118 2.048 10.409 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 118 2.369 12.149 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.624 12.760 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.159 11.130 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.282 11.326 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.763 13.660 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.365 12.258 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.644 12.703 -5.562 1.00 0.00 H new ATOM 1901 N TYR A 119 4.070 9.790 -6.273 1.00 0.00 N ATOM 1902 CA TYR A 119 5.160 9.246 -7.079 1.00 0.00 C ATOM 1903 C TYR A 119 5.267 9.980 -8.408 1.00 0.00 C ATOM 1904 O TYR A 119 4.323 10.000 -9.195 1.00 0.00 O ATOM 1905 CB TYR A 119 4.947 7.744 -7.284 1.00 0.00 C ATOM 1906 CG TYR A 119 5.740 7.120 -8.414 1.00 0.00 C ATOM 1907 CD1 TYR A 119 5.295 7.172 -9.733 1.00 0.00 C ATOM 1908 CD2 TYR A 119 6.930 6.458 -8.153 1.00 0.00 C ATOM 1909 CE1 TYR A 119 6.022 6.583 -10.751 1.00 0.00 C ATOM 1910 CE2 TYR A 119 7.659 5.871 -9.165 1.00 0.00 C ATOM 1911 CZ TYR A 119 7.202 5.935 -10.462 1.00 0.00 C ATOM 1912 OH TYR A 119 7.928 5.351 -11.475 1.00 0.00 O ATOM 0 H TYR A 119 3.312 10.206 -6.814 1.00 0.00 H new ATOM 0 HA TYR A 119 6.103 9.392 -6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 119 5.201 7.229 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 119 3.887 7.567 -7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 119 4.370 7.679 -9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 119 7.293 6.401 -7.137 1.00 0.00 H new ATOM 0 HE1 TYR A 119 5.666 6.631 -11.769 1.00 0.00 H new ATOM 0 HE2 TYR A 119 8.585 5.363 -8.941 1.00 0.00 H new ATOM 0 HH TYR A 119 8.185 6.034 -12.129 1.00 0.00 H new ATOM 1922 N GLU A 120 6.430 10.590 -8.637 1.00 0.00 N ATOM 1923 CA GLU A 120 6.700 11.356 -9.859 1.00 0.00 C ATOM 1924 C GLU A 120 5.417 11.875 -10.507 1.00 0.00 C ATOM 1925 O GLU A 120 4.839 11.219 -11.371 1.00 0.00 O ATOM 1926 CB GLU A 120 7.473 10.498 -10.859 1.00 0.00 C ATOM 1927 CG GLU A 120 8.425 9.517 -10.202 1.00 0.00 C ATOM 1928 CD GLU A 120 9.311 10.171 -9.159 1.00 0.00 C ATOM 1929 OE1 GLU A 120 10.408 10.643 -9.524 1.00 0.00 O ATOM 1930 OE2 GLU A 120 8.907 10.213 -7.978 1.00 0.00 O ATOM 0 H GLU A 120 7.212 10.569 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 120 7.301 12.220 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.765 9.947 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.038 11.150 -11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.851 8.717 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.050 9.056 -10.967 1.00 0.00 H new ATOM 1937 N GLY A 121 4.986 13.062 -10.090 1.00 0.00 N ATOM 1938 CA GLY A 121 3.784 13.656 -10.647 1.00 0.00 C ATOM 1939 C GLY A 121 2.500 12.955 -10.237 1.00 0.00 C ATOM 1940 O GLY A 121 1.408 13.403 -10.588 1.00 0.00 O ATOM 0 H GLY A 121 5.449 13.624 -9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 121 3.730 14.700 -10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 121 3.858 13.649 -11.734 1.00 0.00 H new ATOM 1944 N VAL A 122 2.619 11.853 -9.509 1.00 0.00 N ATOM 1945 CA VAL A 122 1.453 11.096 -9.075 1.00 0.00 C ATOM 1946 C VAL A 122 1.200 11.265 -7.586 1.00 0.00 C ATOM 1947 O VAL A 122 2.135 11.358 -6.798 1.00 0.00 O ATOM 1948 CB VAL A 122 1.629 9.599 -9.389 1.00 0.00 C ATOM 1949 CG1 VAL A 122 0.340 8.832 -9.175 1.00 0.00 C ATOM 1950 CG2 VAL A 122 2.124 9.417 -10.807 1.00 0.00 C ATOM 0 H VAL A 122 3.512 11.463 -9.206 1.00 0.00 H new ATOM 0 HA VAL A 122 0.595 11.487 -9.622 1.00 0.00 H new ATOM 0 HB VAL A 122 2.371 9.197 -8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.501 7.779 -9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.025 8.932 -8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.435 9.233 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.244 8.354 -11.017 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.402 9.844 -11.502 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.083 9.921 -10.925 1.00 0.00 H new ATOM 1960 N GLU A 123 -0.070 11.291 -7.208 1.00 0.00 N ATOM 1961 CA GLU A 123 -0.452 11.431 -5.817 1.00 0.00 C ATOM 1962 C GLU A 123 -1.839 10.846 -5.595 1.00 0.00 C ATOM 1963 O GLU A 123 -2.828 11.350 -6.128 1.00 0.00 O ATOM 1964 CB GLU A 123 -0.416 12.895 -5.392 1.00 0.00 C ATOM 1965 CG GLU A 123 -0.015 13.081 -3.942 1.00 0.00 C ATOM 1966 CD GLU A 123 0.770 14.356 -3.708 1.00 0.00 C ATOM 1967 OE1 GLU A 123 0.646 15.289 -4.529 1.00 0.00 O ATOM 1968 OE2 GLU A 123 1.510 14.422 -2.704 1.00 0.00 O ATOM 0 H GLU A 123 -0.856 11.216 -7.854 1.00 0.00 H new ATOM 0 HA GLU A 123 0.263 10.882 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.284 13.435 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.399 13.338 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.911 13.092 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.584 12.228 -3.623 1.00 0.00 H new ATOM 1975 N ALA A 124 -1.905 9.768 -4.822 1.00 0.00 N ATOM 1976 CA ALA A 124 -3.173 9.107 -4.554 1.00 0.00 C ATOM 1977 C ALA A 124 -3.491 9.079 -3.067 1.00 0.00 C ATOM 1978 O ALA A 124 -2.623 8.824 -2.236 1.00 0.00 O ATOM 1979 CB ALA A 124 -3.159 7.690 -5.121 1.00 0.00 C ATOM 0 H ALA A 124 -1.098 9.336 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.957 9.682 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.113 7.206 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.999 7.731 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.355 7.120 -4.656 1.00 0.00 H new ATOM 1985 N LYS A 125 -4.755 9.321 -2.747 1.00 0.00 N ATOM 1986 CA LYS A 125 -5.215 9.306 -1.367 1.00 0.00 C ATOM 1987 C LYS A 125 -6.056 8.060 -1.148 1.00 0.00 C ATOM 1988 O LYS A 125 -6.513 7.445 -2.112 1.00 0.00 O ATOM 1989 CB LYS A 125 -6.031 10.563 -1.055 1.00 0.00 C ATOM 1990 CG LYS A 125 -5.341 11.510 -0.086 1.00 0.00 C ATOM 1991 CD LYS A 125 -5.172 12.899 -0.683 1.00 0.00 C ATOM 1992 CE LYS A 125 -4.329 12.864 -1.947 1.00 0.00 C ATOM 1993 NZ LYS A 125 -3.480 14.080 -2.083 1.00 0.00 N ATOM 0 H LYS A 125 -5.483 9.531 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.355 9.293 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -6.236 11.093 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -6.994 10.267 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.922 11.577 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -4.364 11.108 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -6.151 13.320 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.704 13.556 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.694 11.978 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.981 12.778 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.301 14.268 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.970 14.894 -1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.575 13.928 -1.593 1.00 0.00 H new ATOM 2007 N ARG A 126 -6.244 7.663 0.102 1.00 0.00 N ATOM 2008 CA ARG A 126 -7.014 6.461 0.372 1.00 0.00 C ATOM 2009 C ARG A 126 -7.583 6.429 1.785 1.00 0.00 C ATOM 2010 O ARG A 126 -6.843 6.323 2.764 1.00 0.00 O ATOM 2011 CB ARG A 126 -6.127 5.234 0.140 1.00 0.00 C ATOM 2012 CG ARG A 126 -6.834 3.909 0.379 1.00 0.00 C ATOM 2013 CD ARG A 126 -5.876 2.737 0.235 1.00 0.00 C ATOM 2014 NE ARG A 126 -6.230 1.622 1.112 1.00 0.00 N ATOM 2015 CZ ARG A 126 -6.250 1.696 2.441 1.00 0.00 C ATOM 2016 NH1 ARG A 126 -5.935 2.829 3.055 1.00 0.00 N ATOM 2017 NH2 ARG A 126 -6.585 0.633 3.159 1.00 0.00 N ATOM 0 H ARG A 126 -5.883 8.143 0.927 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.864 6.455 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.754 5.256 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.259 5.295 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.272 3.903 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.655 3.799 -0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.875 2.396 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.863 3.068 0.463 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.477 0.732 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.676 3.650 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.952 2.879 4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -6.827 -0.241 2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -6.600 0.690 4.177 1.00 0.00 H new ATOM 2031 N ILE A 127 -8.910 6.473 1.878 1.00 0.00 N ATOM 2032 CA ILE A 127 -9.587 6.396 3.163 1.00 0.00 C ATOM 2033 C ILE A 127 -9.674 4.938 3.574 1.00 0.00 C ATOM 2034 O ILE A 127 -9.721 4.053 2.718 1.00 0.00 O ATOM 2035 CB ILE A 127 -11.007 6.993 3.121 1.00 0.00 C ATOM 2036 CG1 ILE A 127 -11.052 8.225 2.213 1.00 0.00 C ATOM 2037 CG2 ILE A 127 -11.468 7.345 4.528 1.00 0.00 C ATOM 2038 CD1 ILE A 127 -10.047 9.290 2.583 1.00 0.00 C ATOM 0 H ILE A 127 -9.535 6.562 1.077 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.011 6.980 3.881 1.00 0.00 H new ATOM 0 HB ILE A 127 -11.685 6.246 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -10.875 7.913 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -12.053 8.655 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -12.473 7.766 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -11.476 6.446 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.786 8.076 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -10.139 10.131 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.236 9.631 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -9.040 8.878 2.520 1.00 0.00 H new ATOM 2050 N PHE A 128 -9.659 4.672 4.869 1.00 0.00 N ATOM 2051 CA PHE A 128 -9.694 3.296 5.333 1.00 0.00 C ATOM 2052 C PHE A 128 -10.738 3.047 6.417 1.00 0.00 C ATOM 2053 O PHE A 128 -11.100 3.939 7.174 1.00 0.00 O ATOM 2054 CB PHE A 128 -8.316 2.915 5.863 1.00 0.00 C ATOM 2055 CG PHE A 128 -8.330 1.661 6.671 1.00 0.00 C ATOM 2056 CD1 PHE A 128 -8.453 0.440 6.050 1.00 0.00 C ATOM 2057 CD2 PHE A 128 -8.250 1.705 8.051 1.00 0.00 C ATOM 2058 CE1 PHE A 128 -8.494 -0.716 6.781 1.00 0.00 C ATOM 2059 CE2 PHE A 128 -8.284 0.541 8.793 1.00 0.00 C ATOM 2060 CZ PHE A 128 -8.406 -0.673 8.155 1.00 0.00 C ATOM 0 H PHE A 128 -9.623 5.376 5.606 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.975 2.679 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.631 2.793 5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -7.929 3.731 6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -8.518 0.393 4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.160 2.657 8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.596 -1.666 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.215 0.583 9.870 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.433 -1.587 8.729 1.00 0.00 H new ATOM 2070 N LYS A 129 -11.179 1.795 6.493 1.00 0.00 N ATOM 2071 CA LYS A 129 -12.143 1.361 7.494 1.00 0.00 C ATOM 2072 C LYS A 129 -11.806 -0.058 7.931 1.00 0.00 C ATOM 2073 O LYS A 129 -11.135 -0.790 7.206 1.00 0.00 O ATOM 2074 CB LYS A 129 -13.563 1.432 6.953 1.00 0.00 C ATOM 2075 CG LYS A 129 -13.838 0.454 5.833 1.00 0.00 C ATOM 2076 CD LYS A 129 -15.252 -0.081 5.921 1.00 0.00 C ATOM 2077 CE LYS A 129 -15.894 -0.204 4.549 1.00 0.00 C ATOM 2078 NZ LYS A 129 -15.132 -1.125 3.660 1.00 0.00 N ATOM 0 H LYS A 129 -10.877 1.054 5.861 1.00 0.00 H new ATOM 0 HA LYS A 129 -12.086 2.029 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -14.262 1.243 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.756 2.443 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.689 0.945 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.128 -0.372 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -15.242 -1.057 6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -15.853 0.580 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -16.916 -0.567 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -15.953 0.781 4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -15.218 -0.806 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -14.130 -1.125 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.515 -2.088 3.747 1.00 0.00 H new ATOM 2092 N LYS A 130 -12.255 -0.449 9.112 1.00 0.00 N ATOM 2093 CA LYS A 130 -11.965 -1.790 9.612 1.00 0.00 C ATOM 2094 C LYS A 130 -13.198 -2.682 9.588 1.00 0.00 C ATOM 2095 O LYS A 130 -14.329 -2.210 9.701 1.00 0.00 O ATOM 2096 CB LYS A 130 -11.390 -1.730 11.026 1.00 0.00 C ATOM 2097 CG LYS A 130 -12.135 -0.787 11.955 1.00 0.00 C ATOM 2098 CD LYS A 130 -11.427 -0.649 13.294 1.00 0.00 C ATOM 2099 CE LYS A 130 -12.404 -0.309 14.408 1.00 0.00 C ATOM 2100 NZ LYS A 130 -12.407 1.148 14.718 1.00 0.00 N ATOM 0 H LYS A 130 -12.814 0.131 9.738 1.00 0.00 H new ATOM 0 HA LYS A 130 -11.222 -2.227 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.402 -2.732 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -10.347 -1.420 10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.223 0.193 11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.148 -1.156 12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -10.912 -1.580 13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -10.666 0.128 13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -13.408 -0.621 14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -12.142 -0.871 15.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -13.086 1.339 15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -11.455 1.441 15.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -12.682 1.683 13.869 1.00 0.00 H new ATOM 2114 N ASP A 131 -12.960 -3.980 9.437 1.00 0.00 N ATOM 2115 CA ASP A 131 -14.035 -4.962 9.394 1.00 0.00 C ATOM 2116 C ASP A 131 -14.650 -5.159 10.776 1.00 0.00 C ATOM 2117 O ASP A 131 -13.891 -5.454 11.724 1.00 0.35 O ATOM 2118 CB ASP A 131 -13.505 -6.294 8.862 1.00 0.00 C ATOM 2119 CG ASP A 131 -14.552 -7.064 8.081 1.00 0.00 C ATOM 2120 OD1 ASP A 131 -15.757 -6.825 8.308 1.00 0.00 O ATOM 2121 OD2 ASP A 131 -14.167 -7.905 7.242 1.00 0.00 O ATOM 2122 OXT ASP A 131 -15.884 -5.017 10.900 1.00 0.35 O ATOM 0 H ASP A 131 -12.026 -4.378 9.342 1.00 0.00 H new ATOM 0 HA ASP A 131 -14.811 -4.591 8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.642 -6.109 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.158 -6.903 9.697 1.00 0.00 H new TER 2127 ASP A 131 HETATM 2128 O3 KTR A 201 1.254 4.379 -3.533 1.00 20.00 O HETATM 2129 C4 KTR A 201 -0.708 0.928 -4.652 1.00 20.00 C HETATM 2130 C5 KTR A 201 0.262 1.110 -3.765 1.00 20.00 C HETATM 2131 C6 KTR A 201 2.085 0.138 -2.719 1.00 20.00 C HETATM 2132 N1 KTR A 201 0.940 -0.050 -3.642 1.00 20.00 N HETATM 2133 C7 KTR A 201 1.784 1.346 -1.918 1.00 20.00 C HETATM 2134 C8 KTR A 201 0.882 2.141 -2.830 1.00 20.00 C HETATM 2135 C9 KTR A 201 1.662 3.200 -3.613 1.00 20.00 C HETATM 2136 C10 KTR A 201 1.056 -2.926 -6.052 1.00 20.00 C HETATM 2137 C11 KTR A 201 1.839 -2.208 -6.950 1.00 20.00 C HETATM 2138 C12 KTR A 201 2.039 -2.672 -8.243 1.00 20.00 C HETATM 2139 C13 KTR A 201 1.452 -3.864 -8.648 1.00 20.00 C HETATM 2140 C14 KTR A 201 0.669 -4.590 -7.759 1.00 20.00 C HETATM 2141 C15 KTR A 201 0.474 -4.120 -6.466 1.00 20.00 C HETATM 2142 O1 KTR A 201 0.998 -3.127 -3.660 1.00 20.00 O HETATM 2143 C1 KTR A 201 0.824 -2.398 -4.636 1.00 20.00 C HETATM 2144 C2 KTR A 201 0.373 -0.949 -4.452 1.00 20.00 C HETATM 2145 C3 KTR A 201 -0.640 -0.372 -5.083 1.00 20.00 C HETATM 2146 O2 KTR A 201 2.647 2.807 -4.274 1.00 20.00 O HETATM 0 H9 KTR A 201 2.655 -2.102 -8.939 1.00 20.00 H new HETATM 0 H8 KTR A 201 2.300 -1.272 -6.635 1.00 20.00 H new HETATM 0 H7 KTR A 201 0.127 2.692 -2.269 1.00 20.00 H new HETATM 0 H6 KTR A 201 1.290 1.095 -0.980 1.00 20.00 H new HETATM 0 H5 KTR A 201 2.689 1.898 -1.664 1.00 20.00 H new HETATM 0 H4 KTR A 201 2.212 -0.733 -2.076 1.00 20.00 H new HETATM 0 H3 KTR A 201 3.015 0.262 -3.274 1.00 20.00 H new HETATM 0 H2 KTR A 201 -1.429 1.677 -4.979 1.00 20.00 H new HETATM 0 H13 KTR A 201 -1.299 -0.845 -5.812 1.00 20.00 H new HETATM 0 H12 KTR A 201 -0.140 -4.692 -5.770 1.00 20.00 H new HETATM 0 H11 KTR A 201 0.209 -5.526 -8.075 1.00 20.00 H new HETATM 0 H10 KTR A 201 1.606 -4.230 -9.663 1.00 20.00 H new HETATM 0 H1 KTR A 201 0.706 4.482 -2.727 1.00 20.00 H new