USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 LYS NZ :NH3+ -151:sc= -1.2 (180deg=-2.53!) USER MOD Set 1.2: A 78 GLN : amide:sc= 0.21 K(o=-0.99,f=-15!) USER MOD Single : A 2 SER OG : rot 124:sc= 1.15 USER MOD Single : A 4 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.17) USER MOD Single : A 11 GLN : amide:sc= -0.424 K(o=-0.42,f=-5.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 143:sc= 1.28 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0193 (180deg=-0.187) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00361 K(o=-0.0036,f=-1.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 46 GLN : amide:sc= -0.076 K(o=-0.076,f=-0.7) USER MOD Single : A 53 SER OG : rot 28:sc= 0.1 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.182) USER MOD Single : A 61 MET CE :methyl -176:sc= -0.357 (180deg=-0.378) USER MOD Single : A 62 THR OG1 : rot -27:sc= 0.664 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0501) USER MOD Single : A 67 ASN : amide:sc= 0.0113 X(o=0.011,f=-0.21) USER MOD Single : A 72 ASN : amide:sc= -3.08! C(o=-3.1!,f=-6.2!) USER MOD Single : A 76 SER OG : rot -55:sc= 0.557 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0836) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -87:sc= 1.3 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.0376 (180deg=-0.297) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 1.83 (180deg=1.34) USER MOD Single : A 104 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1) USER MOD Single : A 105 LYS NZ :NH3+ 171:sc=-0.00889 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -4.781 21.052 -3.404 1.00 0.00 N ATOM 15 CA SER A 2 -4.952 19.735 -2.823 1.00 0.00 C ATOM 16 C SER A 2 -4.041 18.725 -3.511 1.00 0.00 C ATOM 17 O SER A 2 -3.536 18.978 -4.608 1.00 0.00 O ATOM 18 CB SER A 2 -6.413 19.322 -2.958 1.00 0.00 C ATOM 19 OG SER A 2 -6.925 19.706 -4.226 1.00 0.00 O ATOM 0 HA SER A 2 -4.680 19.763 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.505 18.243 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.002 19.785 -2.166 1.00 0.00 H new ATOM 0 HG SER A 2 -7.282 18.918 -4.687 1.00 0.00 H new ATOM 25 N ARG A 3 -3.829 17.588 -2.867 1.00 0.00 N ATOM 26 CA ARG A 3 -2.949 16.563 -3.404 1.00 0.00 C ATOM 27 C ARG A 3 -3.741 15.626 -4.310 1.00 0.00 C ATOM 28 O ARG A 3 -4.958 15.471 -4.141 1.00 0.00 O ATOM 29 CB ARG A 3 -2.302 15.771 -2.261 1.00 0.00 C ATOM 30 CG ARG A 3 -0.911 15.237 -2.578 1.00 0.00 C ATOM 31 CD ARG A 3 0.113 16.365 -2.659 1.00 0.00 C ATOM 32 NE ARG A 3 1.479 15.871 -2.852 1.00 0.00 N ATOM 33 CZ ARG A 3 2.573 16.611 -2.648 1.00 0.00 C ATOM 34 NH1 ARG A 3 2.467 17.838 -2.147 1.00 0.00 N ATOM 35 NH2 ARG A 3 3.774 16.108 -2.905 1.00 0.00 N ATOM 0 H ARG A 3 -4.255 17.352 -1.971 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.161 17.040 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.241 16.410 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.950 14.933 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.610 14.524 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.934 14.696 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.149 17.030 -3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.070 16.957 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 3 1.602 14.906 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.549 18.217 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.304 18.400 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.863 15.155 -3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.608 16.674 -2.749 1.00 0.00 H new ATOM 49 N ASN A 4 -3.056 15.020 -5.276 1.00 0.00 N ATOM 50 CA ASN A 4 -3.683 14.078 -6.196 1.00 0.00 C ATOM 51 C ASN A 4 -2.668 13.056 -6.717 1.00 0.00 C ATOM 52 O ASN A 4 -1.937 13.315 -7.671 1.00 0.00 O ATOM 53 CB ASN A 4 -4.367 14.810 -7.369 1.00 0.00 C ATOM 54 CG ASN A 4 -3.518 15.917 -7.983 1.00 0.00 C ATOM 55 OD1 ASN A 4 -2.724 15.685 -8.898 1.00 0.00 O ATOM 56 ND2 ASN A 4 -3.701 17.140 -7.505 1.00 0.00 N ATOM 0 H ASN A 4 -2.060 15.167 -5.442 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.452 13.541 -5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.615 14.084 -8.143 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.307 15.237 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.177 17.924 -7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.366 17.297 -6.747 1.00 0.00 H new ATOM 63 N PRO A 5 -2.579 11.891 -6.056 1.00 0.00 N ATOM 64 CA PRO A 5 -1.697 10.803 -6.456 1.00 0.00 C ATOM 65 C PRO A 5 -2.367 9.833 -7.430 1.00 0.00 C ATOM 66 O PRO A 5 -3.406 10.144 -8.015 1.00 0.00 O ATOM 67 CB PRO A 5 -1.388 10.095 -5.128 1.00 0.00 C ATOM 68 CG PRO A 5 -2.300 10.700 -4.100 1.00 0.00 C ATOM 69 CD PRO A 5 -3.306 11.537 -4.842 1.00 0.00 C ATOM 0 HA PRO A 5 -0.815 11.168 -6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.557 9.021 -5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.343 10.233 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.798 9.922 -3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.735 11.310 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.217 10.980 -5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.601 12.418 -4.273 1.00 0.00 H new ATOM 77 N GLU A 6 -1.762 8.660 -7.591 1.00 0.00 N ATOM 78 CA GLU A 6 -2.260 7.634 -8.503 1.00 0.00 C ATOM 79 C GLU A 6 -3.681 7.197 -8.158 1.00 0.00 C ATOM 80 O GLU A 6 -3.984 6.866 -7.009 1.00 0.00 O ATOM 81 CB GLU A 6 -1.336 6.412 -8.475 1.00 0.00 C ATOM 82 CG GLU A 6 -0.636 6.142 -9.796 1.00 0.00 C ATOM 83 CD GLU A 6 0.150 7.335 -10.289 1.00 0.00 C ATOM 84 OE1 GLU A 6 1.090 7.766 -9.584 1.00 0.00 O ATOM 85 OE2 GLU A 6 -0.172 7.853 -11.378 1.00 0.00 O ATOM 0 H GLU A 6 -0.913 8.393 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.275 8.072 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.584 6.554 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.919 5.534 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.035 5.291 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.377 5.864 -10.546 1.00 0.00 H new ATOM 92 N VAL A 7 -4.542 7.199 -9.164 1.00 0.00 N ATOM 93 CA VAL A 7 -5.905 6.709 -9.023 1.00 0.00 C ATOM 94 C VAL A 7 -6.185 5.658 -10.096 1.00 0.00 C ATOM 95 O VAL A 7 -6.266 5.974 -11.283 1.00 0.00 O ATOM 96 CB VAL A 7 -6.931 7.857 -9.138 1.00 0.00 C ATOM 97 CG1 VAL A 7 -8.358 7.317 -9.066 1.00 0.00 C ATOM 98 CG2 VAL A 7 -6.697 8.895 -8.049 1.00 0.00 C ATOM 0 H VAL A 7 -4.317 7.539 -10.099 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.006 6.264 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.797 8.338 -10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.064 8.143 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.523 6.615 -9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.506 6.807 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.430 9.696 -8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.800 8.426 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.693 9.307 -8.149 1.00 0.00 H new ATOM 108 N LEU A 8 -6.307 4.412 -9.671 1.00 0.00 N ATOM 109 CA LEU A 8 -6.536 3.301 -10.582 1.00 0.00 C ATOM 110 C LEU A 8 -7.949 2.762 -10.423 1.00 0.00 C ATOM 111 O LEU A 8 -8.528 2.846 -9.343 1.00 0.00 O ATOM 112 CB LEU A 8 -5.542 2.172 -10.300 1.00 0.00 C ATOM 113 CG LEU A 8 -4.084 2.600 -10.162 1.00 0.00 C ATOM 114 CD1 LEU A 8 -3.227 1.426 -9.713 1.00 0.00 C ATOM 115 CD2 LEU A 8 -3.567 3.172 -11.469 1.00 0.00 C ATOM 0 H LEU A 8 -6.251 4.142 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.400 3.666 -11.600 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.843 1.667 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.613 1.440 -11.104 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.024 3.380 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.190 1.748 -9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.583 1.063 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.293 0.625 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.526 3.471 -11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.639 2.416 -12.251 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.164 4.040 -11.747 1.00 0.00 H new ATOM 127 N TRP A 9 -8.507 2.224 -11.491 1.00 0.00 N ATOM 128 CA TRP A 9 -9.802 1.562 -11.408 1.00 0.00 C ATOM 129 C TRP A 9 -9.734 0.160 -12.004 1.00 0.00 C ATOM 130 O TRP A 9 -8.931 -0.112 -12.901 1.00 0.00 O ATOM 131 CB TRP A 9 -10.887 2.379 -12.115 1.00 0.00 C ATOM 132 CG TRP A 9 -10.698 2.474 -13.594 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.797 3.254 -14.244 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.430 1.774 -14.606 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.917 3.088 -15.602 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.915 2.183 -15.849 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.469 0.838 -14.581 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.401 1.693 -17.055 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -12.956 0.355 -15.779 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.420 0.782 -17.001 1.00 0.00 C ATOM 0 H TRP A 9 -8.090 2.230 -12.422 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.063 1.482 -10.353 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.859 1.931 -11.910 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.905 3.384 -11.694 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.088 3.911 -13.762 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.355 3.561 -16.310 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.882 0.500 -13.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.990 2.019 -17.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.763 -0.363 -15.774 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.820 0.383 -17.921 1.00 0.00 H new ATOM 151 N ALA A 10 -10.572 -0.713 -11.482 1.00 0.00 N ATOM 152 CA ALA A 10 -10.697 -2.087 -11.964 1.00 0.00 C ATOM 153 C ALA A 10 -12.069 -2.629 -11.583 1.00 0.00 C ATOM 154 O ALA A 10 -12.428 -2.632 -10.414 1.00 0.00 O ATOM 155 CB ALA A 10 -9.591 -2.967 -11.392 1.00 0.00 C ATOM 0 H ALA A 10 -11.194 -0.493 -10.704 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.595 -2.095 -13.049 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.706 -3.985 -11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.620 -2.576 -11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.655 -2.971 -10.304 1.00 0.00 H new ATOM 161 N GLN A 11 -12.831 -3.097 -12.557 1.00 0.00 N ATOM 162 CA GLN A 11 -14.223 -3.446 -12.311 1.00 0.00 C ATOM 163 C GLN A 11 -14.413 -4.940 -12.074 1.00 0.00 C ATOM 164 O GLN A 11 -13.533 -5.754 -12.370 1.00 0.00 O ATOM 165 CB GLN A 11 -15.103 -2.957 -13.474 1.00 0.00 C ATOM 166 CG GLN A 11 -14.586 -3.327 -14.860 1.00 0.00 C ATOM 167 CD GLN A 11 -15.190 -4.606 -15.421 1.00 0.00 C ATOM 168 OE1 GLN A 11 -15.534 -5.528 -14.688 1.00 0.00 O ATOM 169 NE2 GLN A 11 -15.333 -4.659 -16.735 1.00 0.00 N ATOM 0 H GLN A 11 -12.516 -3.244 -13.516 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.532 -2.943 -11.395 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.105 -3.369 -13.352 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.194 -1.873 -13.412 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.795 -2.506 -15.546 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.502 -3.437 -14.816 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.035 -3.873 -17.313 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.741 -5.486 -17.171 1.00 0.00 H new ATOM 178 N ARG A 12 -15.557 -5.274 -11.492 1.00 0.00 N ATOM 179 CA ARG A 12 -15.983 -6.650 -11.310 1.00 0.00 C ATOM 180 C ARG A 12 -17.363 -6.831 -11.936 1.00 0.00 C ATOM 181 O ARG A 12 -17.846 -5.947 -12.639 1.00 0.00 O ATOM 182 CB ARG A 12 -16.032 -7.012 -9.820 1.00 0.00 C ATOM 183 CG ARG A 12 -14.938 -7.970 -9.370 1.00 0.00 C ATOM 184 CD ARG A 12 -13.553 -7.375 -9.550 1.00 0.00 C ATOM 185 NE ARG A 12 -12.508 -8.236 -8.993 1.00 0.00 N ATOM 186 CZ ARG A 12 -11.204 -7.981 -9.088 1.00 0.00 C ATOM 187 NH1 ARG A 12 -10.784 -6.926 -9.775 1.00 0.00 N ATOM 188 NH2 ARG A 12 -10.324 -8.792 -8.508 1.00 0.00 N ATOM 0 H ARG A 12 -16.220 -4.588 -11.130 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.266 -7.312 -11.796 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.960 -6.096 -9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -17.002 -7.457 -9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.089 -8.226 -8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.011 -8.897 -9.939 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.363 -7.215 -10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.513 -6.398 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.796 -9.083 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.459 -6.311 -10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.786 -6.730 -9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.648 -9.609 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.325 -8.597 -8.581 1.00 0.00 H new ATOM 202 N SER A 13 -17.999 -7.955 -11.642 1.00 0.00 N ATOM 203 CA SER A 13 -19.273 -8.319 -12.254 1.00 0.00 C ATOM 204 C SER A 13 -20.403 -7.333 -11.930 1.00 0.00 C ATOM 205 O SER A 13 -21.409 -7.284 -12.647 1.00 0.00 O ATOM 206 CB SER A 13 -19.654 -9.725 -11.794 1.00 0.00 C ATOM 207 OG SER A 13 -19.411 -9.881 -10.402 1.00 0.00 O ATOM 0 H SER A 13 -17.649 -8.641 -10.974 1.00 0.00 H new ATOM 0 HA SER A 13 -19.142 -8.286 -13.336 1.00 0.00 H new ATOM 0 HB2 SER A 13 -20.707 -9.910 -12.007 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.081 -10.464 -12.353 1.00 0.00 H new ATOM 0 HG SER A 13 -19.663 -10.787 -10.126 1.00 0.00 H new ATOM 213 N ASP A 14 -20.249 -6.551 -10.863 1.00 0.00 N ATOM 214 CA ASP A 14 -21.302 -5.622 -10.452 1.00 0.00 C ATOM 215 C ASP A 14 -20.716 -4.410 -9.734 1.00 0.00 C ATOM 216 O ASP A 14 -21.175 -3.279 -9.911 1.00 0.00 O ATOM 217 CB ASP A 14 -22.302 -6.327 -9.535 1.00 0.00 C ATOM 218 CG ASP A 14 -23.662 -5.659 -9.529 1.00 0.00 C ATOM 219 OD1 ASP A 14 -23.810 -4.583 -8.920 1.00 0.00 O ATOM 220 OD2 ASP A 14 -24.600 -6.224 -10.128 1.00 0.00 O ATOM 0 H ASP A 14 -19.417 -6.541 -10.273 1.00 0.00 H new ATOM 0 HA ASP A 14 -21.814 -5.279 -11.351 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -22.412 -7.364 -9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -21.907 -6.346 -8.519 1.00 0.00 H new ATOM 225 N LYS A 15 -19.698 -4.650 -8.919 1.00 0.00 N ATOM 226 CA LYS A 15 -19.030 -3.575 -8.207 1.00 0.00 C ATOM 227 C LYS A 15 -17.717 -3.225 -8.900 1.00 0.00 C ATOM 228 O LYS A 15 -17.098 -4.078 -9.534 1.00 0.00 O ATOM 229 CB LYS A 15 -18.763 -3.964 -6.745 1.00 0.00 C ATOM 230 CG LYS A 15 -17.829 -5.155 -6.583 1.00 0.00 C ATOM 231 CD LYS A 15 -17.443 -5.395 -5.125 1.00 0.00 C ATOM 232 CE LYS A 15 -18.535 -6.102 -4.328 1.00 0.00 C ATOM 233 NZ LYS A 15 -19.694 -5.221 -4.029 1.00 0.00 N ATOM 0 H LYS A 15 -19.319 -5.579 -8.736 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.685 -2.704 -8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.336 -3.107 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.713 -4.191 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.311 -6.048 -6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.927 -4.990 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.531 -5.991 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.217 -4.439 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.881 -6.972 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.114 -6.471 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.141 -5.525 -3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.368 -4.238 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -20.386 -5.283 -4.803 1.00 0.00 H new ATOM 247 N VAL A 16 -17.307 -1.978 -8.785 1.00 0.00 N ATOM 248 CA VAL A 16 -16.050 -1.527 -9.353 1.00 0.00 C ATOM 249 C VAL A 16 -15.077 -1.159 -8.237 1.00 0.00 C ATOM 250 O VAL A 16 -15.468 -0.582 -7.223 1.00 0.00 O ATOM 251 CB VAL A 16 -16.254 -0.323 -10.313 1.00 0.00 C ATOM 252 CG1 VAL A 16 -16.885 0.864 -9.593 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.939 0.077 -10.969 1.00 0.00 C ATOM 0 H VAL A 16 -17.832 -1.251 -8.298 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.633 -2.346 -9.939 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.944 -0.639 -11.096 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.013 1.689 -10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.856 0.573 -9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.237 1.180 -8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.108 0.922 -11.637 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.220 0.360 -10.200 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.547 -0.764 -11.541 1.00 0.00 H new ATOM 263 N TYR A 17 -13.823 -1.532 -8.411 1.00 0.00 N ATOM 264 CA TYR A 17 -12.793 -1.243 -7.429 1.00 0.00 C ATOM 265 C TYR A 17 -12.047 0.021 -7.812 1.00 0.00 C ATOM 266 O TYR A 17 -11.679 0.215 -8.971 1.00 0.00 O ATOM 267 CB TYR A 17 -11.801 -2.407 -7.315 1.00 0.00 C ATOM 268 CG TYR A 17 -12.341 -3.623 -6.596 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.614 -4.107 -6.860 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.563 -4.298 -5.664 1.00 0.00 C ATOM 271 CE1 TYR A 17 -14.100 -5.227 -6.216 1.00 0.00 C ATOM 272 CE2 TYR A 17 -12.042 -5.417 -5.013 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.310 -5.877 -5.292 1.00 0.00 C ATOM 274 OH TYR A 17 -13.787 -6.996 -4.646 1.00 0.00 O ATOM 0 H TYR A 17 -13.491 -2.040 -9.230 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.278 -1.102 -6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.489 -2.702 -8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.910 -2.058 -6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.236 -3.599 -7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.567 -3.942 -5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.093 -5.592 -6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.426 -5.929 -4.289 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.105 -7.333 -4.028 1.00 0.00 H new ATOM 284 N LEU A 18 -11.845 0.873 -6.831 1.00 0.00 N ATOM 285 CA LEU A 18 -11.085 2.092 -7.017 1.00 0.00 C ATOM 286 C LEU A 18 -9.833 2.023 -6.151 1.00 0.00 C ATOM 287 O LEU A 18 -9.921 2.015 -4.924 1.00 0.00 O ATOM 288 CB LEU A 18 -11.948 3.312 -6.643 1.00 0.00 C ATOM 289 CG LEU A 18 -11.491 4.673 -7.193 1.00 0.00 C ATOM 290 CD1 LEU A 18 -10.185 5.127 -6.556 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.351 4.614 -8.708 1.00 0.00 C ATOM 0 H LEU A 18 -12.201 0.742 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.792 2.197 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.965 3.129 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.989 3.380 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.256 5.406 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.895 6.092 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.319 5.220 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.405 4.394 -6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.027 5.585 -9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.613 3.858 -8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.312 4.357 -9.152 1.00 0.00 H new ATOM 303 N THR A 19 -8.681 1.948 -6.794 1.00 0.00 N ATOM 304 CA THR A 19 -7.418 1.843 -6.089 1.00 0.00 C ATOM 305 C THR A 19 -6.710 3.188 -6.077 1.00 0.00 C ATOM 306 O THR A 19 -6.117 3.594 -7.074 1.00 0.00 O ATOM 307 CB THR A 19 -6.503 0.800 -6.757 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.176 -0.464 -6.835 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.194 0.639 -5.990 1.00 0.00 C ATOM 0 H THR A 19 -8.596 1.958 -7.810 1.00 0.00 H new ATOM 0 HA THR A 19 -7.630 1.529 -5.067 1.00 0.00 H new ATOM 0 HB THR A 19 -6.269 1.153 -7.762 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.939 -0.909 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.570 -0.104 -6.487 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.669 1.594 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.407 0.312 -4.972 1.00 0.00 H new ATOM 317 N VAL A 20 -6.777 3.885 -4.959 1.00 0.00 N ATOM 318 CA VAL A 20 -6.129 5.179 -4.849 1.00 0.00 C ATOM 319 C VAL A 20 -4.877 5.071 -3.986 1.00 0.00 C ATOM 320 O VAL A 20 -4.860 4.342 -2.992 1.00 0.00 O ATOM 321 CB VAL A 20 -7.091 6.249 -4.272 1.00 0.00 C ATOM 322 CG1 VAL A 20 -7.504 5.919 -2.842 1.00 0.00 C ATOM 323 CG2 VAL A 20 -6.468 7.634 -4.344 1.00 0.00 C ATOM 0 H VAL A 20 -7.270 3.581 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.843 5.496 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.991 6.244 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.178 6.691 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.011 4.954 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.618 5.875 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.162 8.367 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.543 7.647 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.251 7.882 -5.383 1.00 0.00 H new ATOM 333 N ALA A 21 -3.827 5.782 -4.375 1.00 0.00 N ATOM 334 CA ALA A 21 -2.594 5.786 -3.610 1.00 0.00 C ATOM 335 C ALA A 21 -2.760 6.655 -2.375 1.00 0.00 C ATOM 336 O ALA A 21 -2.708 7.885 -2.452 1.00 0.00 O ATOM 337 CB ALA A 21 -1.434 6.267 -4.468 1.00 0.00 C ATOM 0 H ALA A 21 -3.807 6.361 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.368 4.769 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.518 6.263 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.316 5.604 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.636 7.279 -4.818 1.00 0.00 H new ATOM 343 N LEU A 22 -2.991 6.007 -1.246 1.00 0.00 N ATOM 344 CA LEU A 22 -3.308 6.703 -0.014 1.00 0.00 C ATOM 345 C LEU A 22 -2.892 5.856 1.187 1.00 0.00 C ATOM 346 O LEU A 22 -3.698 5.110 1.743 1.00 0.00 O ATOM 347 CB LEU A 22 -4.812 7.007 0.024 1.00 0.00 C ATOM 348 CG LEU A 22 -5.281 7.909 1.167 1.00 0.00 C ATOM 349 CD1 LEU A 22 -4.604 9.264 1.091 1.00 0.00 C ATOM 350 CD2 LEU A 22 -6.790 8.074 1.123 1.00 0.00 C ATOM 0 H LEU A 22 -2.964 4.991 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.758 7.643 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.093 7.473 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.353 6.063 0.086 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.006 7.438 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.951 9.891 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.524 9.136 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.850 9.741 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.110 8.718 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.079 8.524 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.266 7.098 1.222 1.00 0.00 H new ATOM 362 N PRO A 23 -1.607 5.926 1.569 1.00 0.00 N ATOM 363 CA PRO A 23 -1.072 5.140 2.685 1.00 0.00 C ATOM 364 C PRO A 23 -1.488 5.688 4.050 1.00 0.00 C ATOM 365 O PRO A 23 -2.185 5.019 4.814 1.00 0.00 O ATOM 366 CB PRO A 23 0.441 5.248 2.495 1.00 0.00 C ATOM 367 CG PRO A 23 0.649 6.542 1.781 1.00 0.00 C ATOM 368 CD PRO A 23 -0.573 6.760 0.929 1.00 0.00 C ATOM 0 HA PRO A 23 -1.446 4.116 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.961 5.238 3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.827 4.410 1.914 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.779 7.360 2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.549 6.506 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.863 7.810 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.399 6.458 -0.104 1.00 0.00 H new ATOM 376 N ASP A 24 -1.068 6.911 4.352 1.00 0.00 N ATOM 377 CA ASP A 24 -1.377 7.519 5.632 1.00 0.00 C ATOM 378 C ASP A 24 -2.492 8.539 5.462 1.00 0.00 C ATOM 379 O ASP A 24 -2.256 9.674 5.045 1.00 0.00 O ATOM 380 CB ASP A 24 -0.139 8.188 6.222 1.00 0.00 C ATOM 381 CG ASP A 24 -0.272 8.433 7.707 1.00 0.00 C ATOM 382 OD1 ASP A 24 -1.040 9.333 8.104 1.00 0.00 O ATOM 383 OD2 ASP A 24 0.385 7.715 8.489 1.00 0.00 O ATOM 0 H ASP A 24 -0.514 7.497 3.727 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.706 6.739 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.733 7.561 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.036 9.136 5.714 1.00 0.00 H new ATOM 388 N ALA A 25 -3.703 8.124 5.773 1.00 0.00 N ATOM 389 CA ALA A 25 -4.873 8.948 5.550 1.00 0.00 C ATOM 390 C ALA A 25 -5.575 9.280 6.857 1.00 0.00 C ATOM 391 O ALA A 25 -5.542 8.502 7.810 1.00 0.00 O ATOM 392 CB ALA A 25 -5.825 8.242 4.608 1.00 0.00 C ATOM 0 H ALA A 25 -3.903 7.212 6.185 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.548 9.886 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.704 8.866 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.326 8.059 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.132 7.292 5.045 1.00 0.00 H new ATOM 398 N LYS A 26 -6.221 10.434 6.876 1.00 0.00 N ATOM 399 CA LYS A 26 -6.937 10.920 8.042 1.00 0.00 C ATOM 400 C LYS A 26 -8.073 11.823 7.595 1.00 0.00 C ATOM 401 O LYS A 26 -8.058 12.315 6.465 1.00 0.00 O ATOM 402 CB LYS A 26 -6.000 11.698 8.972 1.00 0.00 C ATOM 403 CG LYS A 26 -5.168 12.749 8.253 1.00 0.00 C ATOM 404 CD LYS A 26 -4.830 13.926 9.154 1.00 0.00 C ATOM 405 CE LYS A 26 -6.063 14.767 9.444 1.00 0.00 C ATOM 406 NZ LYS A 26 -5.739 15.976 10.241 1.00 0.00 N ATOM 0 H LYS A 26 -6.263 11.065 6.075 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.334 10.065 8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.592 12.183 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.332 10.996 9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.246 12.295 7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.713 13.107 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.407 13.561 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.068 14.544 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.526 15.066 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.794 14.164 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.608 16.520 10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.321 15.691 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.061 16.566 9.717 1.00 0.00 H new ATOM 420 N ASP A 27 -9.054 12.026 8.478 1.00 0.00 N ATOM 421 CA ASP A 27 -10.176 12.936 8.218 1.00 0.00 C ATOM 422 C ASP A 27 -10.815 12.623 6.867 1.00 0.00 C ATOM 423 O ASP A 27 -11.111 13.514 6.071 1.00 0.00 O ATOM 424 CB ASP A 27 -9.694 14.392 8.272 1.00 0.00 C ATOM 425 CG ASP A 27 -10.837 15.394 8.324 1.00 0.00 C ATOM 426 OD1 ASP A 27 -11.718 15.257 9.203 1.00 0.00 O ATOM 427 OD2 ASP A 27 -10.851 16.335 7.503 1.00 0.00 O ATOM 0 H ASP A 27 -9.095 11.568 9.388 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.933 12.794 8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.060 14.527 9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.077 14.598 7.397 1.00 0.00 H new ATOM 432 N ILE A 28 -11.026 11.340 6.626 1.00 0.00 N ATOM 433 CA ILE A 28 -11.550 10.874 5.357 1.00 0.00 C ATOM 434 C ILE A 28 -13.062 11.017 5.309 1.00 0.00 C ATOM 435 O ILE A 28 -13.778 10.425 6.119 1.00 0.00 O ATOM 436 CB ILE A 28 -11.182 9.393 5.106 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.662 9.203 5.106 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.772 8.914 3.782 1.00 0.00 C ATOM 439 CD1 ILE A 28 -9.244 7.750 5.055 1.00 0.00 C ATOM 0 H ILE A 28 -10.840 10.598 7.301 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.099 11.492 4.580 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.604 8.797 5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.237 9.727 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.245 9.663 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.504 7.870 3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.857 9.009 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.377 9.520 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.156 7.684 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.641 7.226 5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.633 7.291 4.146 1.00 0.00 H new ATOM 451 N SER A 29 -13.542 11.825 4.386 1.00 0.00 N ATOM 452 CA SER A 29 -14.961 11.915 4.119 1.00 0.00 C ATOM 453 C SER A 29 -15.195 11.781 2.622 1.00 0.00 C ATOM 454 O SER A 29 -14.801 12.643 1.836 1.00 0.00 O ATOM 455 CB SER A 29 -15.534 13.235 4.642 1.00 0.00 C ATOM 456 OG SER A 29 -16.951 13.260 4.541 1.00 0.00 O ATOM 0 H SER A 29 -12.965 12.433 3.805 1.00 0.00 H new ATOM 0 HA SER A 29 -15.475 11.107 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.239 13.375 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.112 14.066 4.077 1.00 0.00 H new ATOM 0 HG SER A 29 -17.288 14.114 4.884 1.00 0.00 H new ATOM 462 N VAL A 30 -15.827 10.694 2.232 1.00 0.00 N ATOM 463 CA VAL A 30 -16.080 10.431 0.833 1.00 0.00 C ATOM 464 C VAL A 30 -17.491 10.870 0.465 1.00 0.00 C ATOM 465 O VAL A 30 -18.465 10.495 1.125 1.00 0.00 O ATOM 466 CB VAL A 30 -15.873 8.933 0.490 1.00 0.00 C ATOM 467 CG1 VAL A 30 -16.720 8.041 1.388 1.00 0.00 C ATOM 468 CG2 VAL A 30 -16.179 8.666 -0.977 1.00 0.00 C ATOM 0 H VAL A 30 -16.176 9.976 2.868 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.363 11.006 0.247 1.00 0.00 H new ATOM 0 HB VAL A 30 -14.825 8.692 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -16.554 6.997 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -16.439 8.201 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -17.774 8.286 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -16.027 7.609 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.214 8.934 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.515 9.264 -1.602 1.00 0.00 H new ATOM 478 N LYS A 31 -17.593 11.700 -0.558 1.00 0.00 N ATOM 479 CA LYS A 31 -18.881 12.133 -1.060 1.00 0.00 C ATOM 480 C LYS A 31 -19.009 11.752 -2.522 1.00 0.00 C ATOM 481 O LYS A 31 -18.285 12.279 -3.368 1.00 0.00 O ATOM 482 CB LYS A 31 -19.051 13.647 -0.888 1.00 0.00 C ATOM 483 CG LYS A 31 -19.156 14.090 0.562 1.00 0.00 C ATOM 484 CD LYS A 31 -20.375 13.484 1.236 1.00 0.00 C ATOM 485 CE LYS A 31 -20.515 13.949 2.677 1.00 0.00 C ATOM 486 NZ LYS A 31 -20.720 15.416 2.770 1.00 0.00 N ATOM 0 H LYS A 31 -16.793 12.088 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.666 11.638 -0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.205 14.154 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.946 13.966 -1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.255 13.795 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.214 15.177 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.271 13.756 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.301 12.397 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.355 13.435 3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.621 13.672 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.028 15.663 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.828 15.905 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.448 15.709 2.088 1.00 0.00 H new ATOM 500 N CYS A 32 -19.883 10.791 -2.801 1.00 0.00 N ATOM 501 CA CYS A 32 -20.177 10.373 -4.168 1.00 0.00 C ATOM 502 C CYS A 32 -21.687 10.390 -4.427 1.00 0.00 C ATOM 503 O CYS A 32 -22.446 9.794 -3.661 1.00 0.00 O ATOM 504 CB CYS A 32 -19.615 8.971 -4.415 1.00 0.00 C ATOM 505 SG CYS A 32 -17.818 8.869 -4.252 1.00 0.00 S ATOM 0 H CYS A 32 -20.406 10.281 -2.089 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.704 11.074 -4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -20.075 8.276 -3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -19.899 8.647 -5.416 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.431 7.648 -4.475 1.00 0.00 H new ATOM 511 N GLU A 33 -22.140 11.062 -5.490 1.00 0.00 N ATOM 512 CA GLU A 33 -23.535 10.978 -5.868 1.00 0.00 C ATOM 513 C GLU A 33 -23.674 9.919 -6.943 1.00 0.00 C ATOM 514 O GLU A 33 -22.672 9.513 -7.535 1.00 0.00 O ATOM 515 CB GLU A 33 -24.050 12.331 -6.364 1.00 0.00 C ATOM 516 CG GLU A 33 -24.414 13.292 -5.247 1.00 0.00 C ATOM 517 CD GLU A 33 -25.574 12.798 -4.406 1.00 0.00 C ATOM 518 OE1 GLU A 33 -26.733 12.958 -4.839 1.00 0.00 O ATOM 519 OE2 GLU A 33 -25.335 12.248 -3.310 1.00 0.00 O ATOM 0 H GLU A 33 -21.566 11.657 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.136 10.705 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.288 12.791 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.926 12.168 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.545 13.444 -4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.668 14.261 -5.676 1.00 0.00 H new ATOM 526 N PRO A 34 -24.899 9.450 -7.214 1.00 0.00 N ATOM 527 CA PRO A 34 -25.155 8.433 -8.245 1.00 0.00 C ATOM 528 C PRO A 34 -24.740 8.881 -9.650 1.00 0.00 C ATOM 529 O PRO A 34 -24.894 8.135 -10.612 1.00 0.00 O ATOM 530 CB PRO A 34 -26.672 8.233 -8.185 1.00 0.00 C ATOM 531 CG PRO A 34 -27.074 8.721 -6.839 1.00 0.00 C ATOM 532 CD PRO A 34 -26.139 9.848 -6.521 1.00 0.00 C ATOM 0 HA PRO A 34 -24.577 7.528 -8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.175 8.793 -8.974 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -26.937 7.184 -8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -28.110 9.060 -6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -26.998 7.927 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.518 10.803 -6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -25.986 9.955 -5.447 1.00 0.00 H new ATOM 540 N GLN A 35 -24.203 10.088 -9.748 1.00 0.00 N ATOM 541 CA GLN A 35 -23.806 10.659 -11.026 1.00 0.00 C ATOM 542 C GLN A 35 -22.557 11.537 -10.892 1.00 0.00 C ATOM 543 O GLN A 35 -22.087 12.109 -11.876 1.00 0.00 O ATOM 544 CB GLN A 35 -24.969 11.465 -11.611 1.00 0.00 C ATOM 545 CG GLN A 35 -25.592 12.436 -10.620 1.00 0.00 C ATOM 546 CD GLN A 35 -26.848 13.090 -11.159 1.00 0.00 C ATOM 547 OE1 GLN A 35 -27.554 12.518 -11.989 1.00 0.00 O ATOM 548 NE2 GLN A 35 -27.160 14.276 -10.666 1.00 0.00 N ATOM 0 H GLN A 35 -24.031 10.697 -8.948 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.554 9.841 -11.701 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.615 12.021 -12.479 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -25.736 10.777 -11.965 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.830 11.906 -9.698 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.865 13.207 -10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -26.550 14.719 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -28.011 14.748 -10.972 1.00 0.00 H new ATOM 557 N GLY A 36 -22.003 11.637 -9.688 1.00 0.00 N ATOM 558 CA GLY A 36 -20.814 12.448 -9.506 1.00 0.00 C ATOM 559 C GLY A 36 -20.742 13.106 -8.144 1.00 0.00 C ATOM 560 O GLY A 36 -21.728 13.647 -7.661 1.00 0.00 O ATOM 0 H GLY A 36 -22.350 11.178 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.932 11.824 -9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.787 13.219 -10.276 1.00 0.00 H new ATOM 564 N LEU A 37 -19.630 12.917 -7.459 1.00 0.00 N ATOM 565 CA LEU A 37 -19.276 13.734 -6.302 1.00 0.00 C ATOM 566 C LEU A 37 -17.777 13.652 -6.029 1.00 0.00 C ATOM 567 O LEU A 37 -17.047 12.964 -6.747 1.00 0.00 O ATOM 568 CB LEU A 37 -20.106 13.445 -5.056 1.00 0.00 C ATOM 569 CG LEU A 37 -21.170 14.492 -4.705 1.00 0.00 C ATOM 570 CD1 LEU A 37 -21.761 14.208 -3.333 1.00 0.00 C ATOM 571 CD2 LEU A 37 -20.589 15.897 -4.747 1.00 0.00 C ATOM 0 H LEU A 37 -18.945 12.196 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.526 14.762 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.600 12.482 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.430 13.343 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 37 -21.963 14.429 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.514 14.960 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.222 13.220 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.971 14.240 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.365 16.619 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.773 15.975 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.212 16.105 -5.748 1.00 0.00 H new ATOM 583 N PHE A 38 -17.320 14.360 -5.004 1.00 0.00 N ATOM 584 CA PHE A 38 -15.892 14.490 -4.730 1.00 0.00 C ATOM 585 C PHE A 38 -15.531 13.788 -3.421 1.00 0.00 C ATOM 586 O PHE A 38 -16.260 13.862 -2.430 1.00 0.00 O ATOM 587 CB PHE A 38 -15.479 15.970 -4.673 1.00 0.00 C ATOM 588 CG PHE A 38 -16.098 16.748 -3.540 1.00 0.00 C ATOM 589 CD1 PHE A 38 -17.388 17.240 -3.643 1.00 0.00 C ATOM 590 CD2 PHE A 38 -15.382 16.990 -2.377 1.00 0.00 C ATOM 591 CE1 PHE A 38 -17.957 17.956 -2.605 1.00 0.00 C ATOM 592 CE2 PHE A 38 -15.946 17.706 -1.337 1.00 0.00 C ATOM 593 CZ PHE A 38 -17.235 18.189 -1.451 1.00 0.00 C ATOM 0 H PHE A 38 -17.920 14.856 -4.345 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.346 14.012 -5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.394 16.028 -4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.750 16.446 -5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.957 17.063 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.373 16.615 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.965 18.332 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.379 17.887 -0.436 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.677 18.748 -0.639 1.00 0.00 H new ATOM 603 N SER A 39 -14.406 13.101 -3.423 1.00 0.00 N ATOM 604 CA SER A 39 -13.939 12.408 -2.236 1.00 0.00 C ATOM 605 C SER A 39 -12.854 13.236 -1.553 1.00 0.00 C ATOM 606 O SER A 39 -11.877 13.634 -2.190 1.00 0.00 O ATOM 607 CB SER A 39 -13.407 11.025 -2.617 1.00 0.00 C ATOM 608 OG SER A 39 -13.090 10.257 -1.468 1.00 0.00 O ATOM 0 H SER A 39 -13.796 13.007 -4.235 1.00 0.00 H new ATOM 0 HA SER A 39 -14.768 12.278 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.152 10.499 -3.214 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.519 11.134 -3.240 1.00 0.00 H new ATOM 0 HG SER A 39 -12.755 9.379 -1.744 1.00 0.00 H new ATOM 614 N PHE A 40 -13.037 13.499 -0.267 1.00 0.00 N ATOM 615 CA PHE A 40 -12.126 14.355 0.481 1.00 0.00 C ATOM 616 C PHE A 40 -11.380 13.565 1.554 1.00 0.00 C ATOM 617 O PHE A 40 -11.982 13.024 2.478 1.00 0.00 O ATOM 618 CB PHE A 40 -12.906 15.511 1.112 1.00 0.00 C ATOM 619 CG PHE A 40 -12.080 16.389 2.012 1.00 0.00 C ATOM 620 CD1 PHE A 40 -10.884 16.933 1.572 1.00 0.00 C ATOM 621 CD2 PHE A 40 -12.513 16.679 3.295 1.00 0.00 C ATOM 622 CE1 PHE A 40 -10.136 17.746 2.398 1.00 0.00 C ATOM 623 CE2 PHE A 40 -11.765 17.490 4.125 1.00 0.00 C ATOM 624 CZ PHE A 40 -10.576 18.025 3.675 1.00 0.00 C ATOM 0 H PHE A 40 -13.813 13.130 0.283 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.384 14.756 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.334 16.123 0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.739 15.103 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.534 16.718 0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.446 16.266 3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.205 18.164 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.110 17.705 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.990 18.662 4.322 1.00 0.00 H new ATOM 634 N SER A 41 -10.069 13.482 1.409 1.00 0.00 N ATOM 635 CA SER A 41 -9.229 12.802 2.381 1.00 0.00 C ATOM 636 C SER A 41 -8.042 13.682 2.766 1.00 0.00 C ATOM 637 O SER A 41 -7.748 14.666 2.095 1.00 0.00 O ATOM 638 CB SER A 41 -8.753 11.467 1.812 1.00 0.00 C ATOM 639 OG SER A 41 -9.855 10.688 1.373 1.00 0.00 O ATOM 0 H SER A 41 -9.559 13.881 0.621 1.00 0.00 H new ATOM 0 HA SER A 41 -9.812 12.608 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.071 11.643 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.194 10.920 2.572 1.00 0.00 H new ATOM 0 HG SER A 41 -9.530 9.837 1.010 1.00 0.00 H new ATOM 645 N ALA A 42 -7.380 13.357 3.861 1.00 0.00 N ATOM 646 CA ALA A 42 -6.178 14.072 4.246 1.00 0.00 C ATOM 647 C ALA A 42 -5.002 13.117 4.396 1.00 0.00 C ATOM 648 O ALA A 42 -5.181 11.947 4.730 1.00 0.00 O ATOM 649 CB ALA A 42 -6.403 14.847 5.534 1.00 0.00 C ATOM 0 H ALA A 42 -7.652 12.607 4.496 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.940 14.782 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.489 15.376 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.209 15.566 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.672 14.155 6.332 1.00 0.00 H new ATOM 655 N LEU A 43 -3.810 13.630 4.137 1.00 0.00 N ATOM 656 CA LEU A 43 -2.585 12.874 4.313 1.00 0.00 C ATOM 657 C LEU A 43 -1.994 13.193 5.674 1.00 0.00 C ATOM 658 O LEU A 43 -1.510 14.307 5.900 1.00 0.00 O ATOM 659 CB LEU A 43 -1.555 13.237 3.245 1.00 0.00 C ATOM 660 CG LEU A 43 -2.040 13.173 1.798 1.00 0.00 C ATOM 661 CD1 LEU A 43 -0.997 13.762 0.865 1.00 0.00 C ATOM 662 CD2 LEU A 43 -2.344 11.739 1.403 1.00 0.00 C ATOM 0 H LEU A 43 -3.667 14.582 3.799 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.825 11.814 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.196 14.247 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.700 12.569 3.351 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.955 13.759 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.357 13.709 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.815 14.803 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.069 13.197 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.688 11.712 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.442 11.135 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.121 11.339 2.055 1.00 0.00 H new ATOM 674 N GLY A 44 -2.016 12.217 6.558 1.00 0.00 N ATOM 675 CA GLY A 44 -1.569 12.432 7.922 1.00 0.00 C ATOM 676 C GLY A 44 -0.068 12.587 8.020 1.00 0.00 C ATOM 677 O GLY A 44 0.438 13.294 8.892 1.00 0.00 O ATOM 0 H GLY A 44 -2.337 11.270 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.050 13.324 8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.886 11.593 8.542 1.00 0.00 H new ATOM 681 N ALA A 45 0.647 11.932 7.116 1.00 0.00 N ATOM 682 CA ALA A 45 2.101 11.990 7.105 1.00 0.00 C ATOM 683 C ALA A 45 2.602 13.331 6.570 1.00 0.00 C ATOM 684 O ALA A 45 3.713 13.756 6.884 1.00 0.00 O ATOM 685 CB ALA A 45 2.663 10.849 6.271 1.00 0.00 C ATOM 0 H ALA A 45 0.243 11.353 6.380 1.00 0.00 H new ATOM 0 HA ALA A 45 2.449 11.889 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.752 10.902 6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.346 9.897 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.294 10.930 5.248 1.00 0.00 H new ATOM 691 N GLN A 46 1.782 13.994 5.765 1.00 0.00 N ATOM 692 CA GLN A 46 2.200 15.228 5.107 1.00 0.00 C ATOM 693 C GLN A 46 1.468 16.448 5.663 1.00 0.00 C ATOM 694 O GLN A 46 1.860 17.586 5.399 1.00 0.00 O ATOM 695 CB GLN A 46 1.962 15.132 3.598 1.00 0.00 C ATOM 696 CG GLN A 46 2.694 13.974 2.935 1.00 0.00 C ATOM 697 CD GLN A 46 4.196 14.031 3.143 1.00 0.00 C ATOM 698 OE1 GLN A 46 4.780 15.109 3.277 1.00 0.00 O ATOM 699 NE2 GLN A 46 4.833 12.872 3.171 1.00 0.00 N ATOM 0 H GLN A 46 0.828 13.701 5.552 1.00 0.00 H new ATOM 0 HA GLN A 46 3.264 15.355 5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.893 15.027 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.276 16.065 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.312 13.034 3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.479 13.979 1.866 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.314 12.002 3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.844 12.849 3.307 1.00 0.00 H new ATOM 708 N GLY A 47 0.404 16.209 6.424 1.00 0.00 N ATOM 709 CA GLY A 47 -0.430 17.302 6.898 1.00 0.00 C ATOM 710 C GLY A 47 -1.194 17.944 5.758 1.00 0.00 C ATOM 711 O GLY A 47 -1.769 19.025 5.899 1.00 0.00 O ATOM 0 H GLY A 47 0.104 15.280 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.131 16.930 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.192 18.050 7.389 1.00 0.00 H new ATOM 715 N GLU A 48 -1.228 17.242 4.639 1.00 0.00 N ATOM 716 CA GLU A 48 -1.772 17.770 3.398 1.00 0.00 C ATOM 717 C GLU A 48 -3.180 17.233 3.208 1.00 0.00 C ATOM 718 O GLU A 48 -3.544 16.248 3.837 1.00 0.00 O ATOM 719 CB GLU A 48 -0.871 17.342 2.228 1.00 0.00 C ATOM 720 CG GLU A 48 -1.296 17.864 0.863 1.00 0.00 C ATOM 721 CD GLU A 48 -0.363 18.928 0.329 1.00 0.00 C ATOM 722 OE1 GLU A 48 0.670 18.569 -0.268 1.00 0.00 O ATOM 723 OE2 GLU A 48 -0.656 20.127 0.497 1.00 0.00 O ATOM 0 H GLU A 48 -0.878 16.287 4.564 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.808 18.859 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.145 17.681 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.843 16.253 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.336 17.034 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.304 18.272 0.932 1.00 0.00 H new ATOM 730 N ARG A 49 -3.979 17.874 2.378 1.00 0.00 N ATOM 731 CA ARG A 49 -5.292 17.344 2.059 1.00 0.00 C ATOM 732 C ARG A 49 -5.333 16.905 0.604 1.00 0.00 C ATOM 733 O ARG A 49 -4.780 17.566 -0.274 1.00 0.00 O ATOM 734 CB ARG A 49 -6.391 18.371 2.337 1.00 0.00 C ATOM 735 CG ARG A 49 -6.385 18.892 3.765 1.00 0.00 C ATOM 736 CD ARG A 49 -7.629 19.706 4.076 1.00 0.00 C ATOM 737 NE ARG A 49 -7.884 20.735 3.067 1.00 0.00 N ATOM 738 CZ ARG A 49 -8.192 21.998 3.348 1.00 0.00 C ATOM 739 NH1 ARG A 49 -8.268 22.405 4.607 1.00 0.00 N ATOM 740 NH2 ARG A 49 -8.430 22.849 2.363 1.00 0.00 N ATOM 0 H ARG A 49 -3.747 18.753 1.916 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.476 16.482 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.275 19.211 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.361 17.920 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.318 18.053 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.499 19.507 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.490 19.041 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.518 20.177 5.053 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.821 20.466 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.090 21.748 5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.505 23.375 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.377 22.535 1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.667 23.819 2.573 1.00 0.00 H new ATOM 754 N PHE A 50 -5.983 15.785 0.365 1.00 0.00 N ATOM 755 CA PHE A 50 -6.079 15.207 -0.962 1.00 0.00 C ATOM 756 C PHE A 50 -7.542 15.035 -1.342 1.00 0.00 C ATOM 757 O PHE A 50 -8.360 14.628 -0.520 1.00 0.00 O ATOM 758 CB PHE A 50 -5.333 13.860 -0.984 1.00 0.00 C ATOM 759 CG PHE A 50 -5.992 12.779 -1.800 1.00 0.00 C ATOM 760 CD1 PHE A 50 -5.962 12.811 -3.183 1.00 0.00 C ATOM 761 CD2 PHE A 50 -6.638 11.722 -1.173 1.00 0.00 C ATOM 762 CE1 PHE A 50 -6.567 11.817 -3.927 1.00 0.00 C ATOM 763 CE2 PHE A 50 -7.243 10.726 -1.913 1.00 0.00 C ATOM 764 CZ PHE A 50 -7.207 10.775 -3.291 1.00 0.00 C ATOM 0 H PHE A 50 -6.462 15.247 1.087 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.617 15.870 -1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.328 14.025 -1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.225 13.505 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.459 13.623 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.668 11.679 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.539 11.856 -5.006 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.744 9.910 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.680 9.997 -3.872 1.00 0.00 H new ATOM 774 N GLU A 51 -7.878 15.341 -2.581 1.00 0.00 N ATOM 775 CA GLU A 51 -9.255 15.190 -3.023 1.00 0.00 C ATOM 776 C GLU A 51 -9.334 14.953 -4.516 1.00 0.00 C ATOM 777 O GLU A 51 -8.389 15.235 -5.258 1.00 0.00 O ATOM 778 CB GLU A 51 -10.112 16.402 -2.600 1.00 0.00 C ATOM 779 CG GLU A 51 -9.539 17.765 -2.973 1.00 0.00 C ATOM 780 CD GLU A 51 -9.693 18.105 -4.443 1.00 0.00 C ATOM 781 OE1 GLU A 51 -10.822 18.410 -4.875 1.00 0.00 O ATOM 782 OE2 GLU A 51 -8.681 18.098 -5.172 1.00 0.00 O ATOM 0 H GLU A 51 -7.232 15.689 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.664 14.307 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.099 16.304 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.252 16.368 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.032 18.533 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.481 17.789 -2.712 1.00 0.00 H new ATOM 789 N PHE A 52 -10.453 14.397 -4.939 1.00 0.00 N ATOM 790 CA PHE A 52 -10.718 14.174 -6.345 1.00 0.00 C ATOM 791 C PHE A 52 -12.221 14.109 -6.579 1.00 0.00 C ATOM 792 O PHE A 52 -12.955 13.481 -5.811 1.00 0.00 O ATOM 793 CB PHE A 52 -10.029 12.893 -6.847 1.00 0.00 C ATOM 794 CG PHE A 52 -10.503 11.620 -6.200 1.00 0.00 C ATOM 795 CD1 PHE A 52 -10.044 11.250 -4.948 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.401 10.788 -6.851 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.469 10.076 -4.357 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.831 9.614 -6.263 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.365 9.257 -5.014 1.00 0.00 C ATOM 0 H PHE A 52 -11.201 14.088 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.306 15.008 -6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.182 12.814 -7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.956 12.988 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.345 11.887 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.769 11.061 -7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.100 9.799 -3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.532 8.976 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.700 8.340 -4.552 1.00 0.00 H new ATOM 809 N SER A 53 -12.675 14.781 -7.619 1.00 0.00 N ATOM 810 CA SER A 53 -14.081 14.790 -7.970 1.00 0.00 C ATOM 811 C SER A 53 -14.313 13.924 -9.197 1.00 0.00 C ATOM 812 O SER A 53 -13.627 14.081 -10.212 1.00 0.00 O ATOM 813 CB SER A 53 -14.539 16.225 -8.236 1.00 0.00 C ATOM 814 OG SER A 53 -13.679 16.864 -9.169 1.00 0.00 O ATOM 0 H SER A 53 -12.084 15.333 -8.241 1.00 0.00 H new ATOM 0 HA SER A 53 -14.662 14.384 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.560 16.221 -8.619 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.551 16.787 -7.302 1.00 0.00 H new ATOM 0 HG SER A 53 -13.286 16.192 -9.765 1.00 0.00 H new ATOM 820 N LEU A 54 -15.261 13.007 -9.110 1.00 0.00 N ATOM 821 CA LEU A 54 -15.543 12.118 -10.222 1.00 0.00 C ATOM 822 C LEU A 54 -16.975 12.284 -10.694 1.00 0.00 C ATOM 823 O LEU A 54 -17.911 12.174 -9.900 1.00 0.00 O ATOM 824 CB LEU A 54 -15.302 10.656 -9.830 1.00 0.00 C ATOM 825 CG LEU A 54 -13.856 10.291 -9.478 1.00 0.00 C ATOM 826 CD1 LEU A 54 -13.756 8.818 -9.111 1.00 0.00 C ATOM 827 CD2 LEU A 54 -12.918 10.618 -10.634 1.00 0.00 C ATOM 0 H LEU A 54 -15.845 12.859 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.866 12.383 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.935 10.419 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.627 10.020 -10.653 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.553 10.886 -8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.723 8.574 -8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.393 8.613 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.080 8.210 -9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.897 10.350 -10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.218 10.053 -11.517 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.967 11.685 -10.852 1.00 0.00 H new ATOM 839 N GLU A 55 -17.133 12.580 -11.978 1.00 0.00 N ATOM 840 CA GLU A 55 -18.436 12.538 -12.621 1.00 0.00 C ATOM 841 C GLU A 55 -18.668 11.123 -13.117 1.00 0.00 C ATOM 842 O GLU A 55 -17.761 10.513 -13.685 1.00 0.00 O ATOM 843 CB GLU A 55 -18.503 13.512 -13.797 1.00 0.00 C ATOM 844 CG GLU A 55 -18.122 14.940 -13.440 1.00 0.00 C ATOM 845 CD GLU A 55 -18.292 15.896 -14.600 1.00 0.00 C ATOM 846 OE1 GLU A 55 -17.574 15.749 -15.615 1.00 0.00 O ATOM 847 OE2 GLU A 55 -19.130 16.818 -14.497 1.00 0.00 O ATOM 0 H GLU A 55 -16.369 12.853 -12.596 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.203 12.830 -11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.842 13.157 -14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.515 13.507 -14.202 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -18.735 15.277 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.085 14.962 -13.105 1.00 0.00 H new ATOM 854 N LEU A 56 -19.858 10.594 -12.911 1.00 0.00 N ATOM 855 CA LEU A 56 -20.109 9.197 -13.228 1.00 0.00 C ATOM 856 C LEU A 56 -21.010 9.038 -14.442 1.00 0.00 C ATOM 857 O LEU A 56 -22.126 9.554 -14.486 1.00 0.00 O ATOM 858 CB LEU A 56 -20.705 8.454 -12.025 1.00 0.00 C ATOM 859 CG LEU A 56 -19.717 8.111 -10.899 1.00 0.00 C ATOM 860 CD1 LEU A 56 -18.459 7.464 -11.460 1.00 0.00 C ATOM 861 CD2 LEU A 56 -19.365 9.335 -10.070 1.00 0.00 C ATOM 0 H LEU A 56 -20.658 11.100 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 56 -19.144 8.753 -13.471 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.508 9.062 -11.607 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -21.158 7.529 -12.381 1.00 0.00 H new ATOM 0 HG LEU A 56 -20.209 7.396 -10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.775 7.230 -10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.725 6.546 -11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.975 8.151 -12.154 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.665 9.053 -9.284 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -18.907 10.089 -10.711 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -20.270 9.742 -9.620 1.00 0.00 H new ATOM 873 N TYR A 57 -20.494 8.323 -15.432 1.00 0.00 N ATOM 874 CA TYR A 57 -21.251 7.978 -16.622 1.00 0.00 C ATOM 875 C TYR A 57 -22.184 6.820 -16.291 1.00 0.00 C ATOM 876 O TYR A 57 -23.355 6.813 -16.672 1.00 0.00 O ATOM 877 CB TYR A 57 -20.288 7.597 -17.752 1.00 0.00 C ATOM 878 CG TYR A 57 -20.950 7.299 -19.079 1.00 0.00 C ATOM 879 CD1 TYR A 57 -21.400 8.326 -19.898 1.00 0.00 C ATOM 880 CD2 TYR A 57 -21.106 5.991 -19.522 1.00 0.00 C ATOM 881 CE1 TYR A 57 -21.986 8.061 -21.119 1.00 0.00 C ATOM 882 CE2 TYR A 57 -21.695 5.715 -20.741 1.00 0.00 C ATOM 883 CZ TYR A 57 -22.133 6.756 -21.536 1.00 0.00 C ATOM 884 OH TYR A 57 -22.718 6.492 -22.754 1.00 0.00 O ATOM 0 H TYR A 57 -19.538 7.967 -15.431 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.845 8.830 -16.953 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.576 8.410 -17.892 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.716 6.722 -17.443 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.289 9.350 -19.574 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -20.761 5.176 -18.903 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -22.328 8.872 -21.745 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.812 4.693 -21.070 1.00 0.00 H new ATOM 0 HH TYR A 57 -22.746 5.523 -22.900 1.00 0.00 H new ATOM 894 N GLY A 58 -21.643 5.848 -15.563 1.00 0.00 N ATOM 895 CA GLY A 58 -22.452 4.780 -15.021 1.00 0.00 C ATOM 896 C GLY A 58 -22.900 5.128 -13.622 1.00 0.00 C ATOM 897 O GLY A 58 -22.074 5.484 -12.780 1.00 0.00 O ATOM 0 H GLY A 58 -20.650 5.784 -15.339 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -23.320 4.612 -15.658 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -21.881 3.851 -15.008 1.00 0.00 H new ATOM 901 N LYS A 59 -24.195 5.036 -13.370 1.00 0.00 N ATOM 902 CA LYS A 59 -24.761 5.527 -12.121 1.00 0.00 C ATOM 903 C LYS A 59 -24.296 4.693 -10.940 1.00 0.00 C ATOM 904 O LYS A 59 -24.149 3.471 -11.040 1.00 0.00 O ATOM 905 CB LYS A 59 -26.288 5.541 -12.188 1.00 0.00 C ATOM 906 CG LYS A 59 -26.823 6.091 -13.494 1.00 0.00 C ATOM 907 CD LYS A 59 -26.319 7.492 -13.781 1.00 0.00 C ATOM 908 CE LYS A 59 -26.305 7.765 -15.278 1.00 0.00 C ATOM 909 NZ LYS A 59 -27.588 7.380 -15.932 1.00 0.00 N ATOM 0 H LYS A 59 -24.875 4.627 -14.011 1.00 0.00 H new ATOM 0 HA LYS A 59 -24.407 6.548 -11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.661 4.526 -12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -26.676 6.139 -11.363 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -26.533 5.429 -14.310 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.913 6.099 -13.463 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -26.955 8.222 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.314 7.612 -13.375 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.115 8.824 -15.451 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.485 7.214 -15.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.636 7.807 -16.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.638 6.345 -16.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -28.386 7.720 -15.358 1.00 0.00 H new ATOM 923 N ILE A 60 -24.083 5.365 -9.823 1.00 0.00 N ATOM 924 CA ILE A 60 -23.574 4.727 -8.623 1.00 0.00 C ATOM 925 C ILE A 60 -24.710 4.337 -7.696 1.00 0.00 C ATOM 926 O ILE A 60 -25.745 4.999 -7.648 1.00 0.00 O ATOM 927 CB ILE A 60 -22.637 5.668 -7.836 1.00 0.00 C ATOM 928 CG1 ILE A 60 -21.591 6.293 -8.758 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.957 4.936 -6.688 1.00 0.00 C ATOM 930 CD1 ILE A 60 -20.768 5.269 -9.515 1.00 0.00 C ATOM 0 H ILE A 60 -24.257 6.365 -9.722 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.025 3.844 -8.951 1.00 0.00 H new ATOM 0 HB ILE A 60 -23.250 6.465 -7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.091 6.947 -9.473 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.923 6.919 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -21.304 5.625 -6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.713 4.548 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.367 4.109 -7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.045 5.781 -10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.240 4.631 -8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.426 4.658 -10.133 1.00 0.00 H new ATOM 942 N MET A 61 -24.493 3.274 -6.959 1.00 0.00 N ATOM 943 CA MET A 61 -25.393 2.880 -5.898 1.00 0.00 C ATOM 944 C MET A 61 -24.784 3.323 -4.575 1.00 0.00 C ATOM 945 O MET A 61 -23.997 2.600 -3.963 1.00 0.00 O ATOM 946 CB MET A 61 -25.630 1.366 -5.906 1.00 0.00 C ATOM 947 CG MET A 61 -26.672 0.912 -4.898 1.00 0.00 C ATOM 948 SD MET A 61 -26.959 -0.868 -4.934 1.00 0.00 S ATOM 949 CE MET A 61 -28.276 -1.010 -3.727 1.00 0.00 C ATOM 0 H MET A 61 -23.689 2.657 -7.076 1.00 0.00 H new ATOM 0 HA MET A 61 -26.363 3.355 -6.043 1.00 0.00 H new ATOM 0 HB2 MET A 61 -25.944 1.060 -6.904 1.00 0.00 H new ATOM 0 HB3 MET A 61 -24.689 0.857 -5.698 1.00 0.00 H new ATOM 0 HG2 MET A 61 -26.352 1.203 -3.897 1.00 0.00 H new ATOM 0 HG3 MET A 61 -27.611 1.430 -5.096 1.00 0.00 H new ATOM 0 HE1 MET A 61 -28.521 -2.062 -3.578 1.00 0.00 H new ATOM 0 HE2 MET A 61 -27.951 -0.576 -2.781 1.00 0.00 H new ATOM 0 HE3 MET A 61 -29.158 -0.479 -4.086 1.00 0.00 H new ATOM 959 N THR A 62 -25.138 4.533 -4.158 1.00 0.00 N ATOM 960 CA THR A 62 -24.522 5.184 -3.000 1.00 0.00 C ATOM 961 C THR A 62 -24.915 4.493 -1.683 1.00 0.00 C ATOM 962 O THR A 62 -24.557 4.939 -0.593 1.00 0.00 O ATOM 963 CB THR A 62 -24.915 6.685 -2.969 1.00 0.00 C ATOM 964 OG1 THR A 62 -24.266 7.362 -1.886 1.00 0.00 O ATOM 965 CG2 THR A 62 -26.424 6.862 -2.860 1.00 0.00 C ATOM 0 H THR A 62 -25.860 5.093 -4.611 1.00 0.00 H new ATOM 0 HA THR A 62 -23.440 5.099 -3.099 1.00 0.00 H new ATOM 0 HB THR A 62 -24.584 7.126 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.071 6.722 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.665 7.925 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.908 6.396 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.780 6.392 -1.943 1.00 0.00 H new ATOM 973 N GLU A 63 -25.632 3.384 -1.802 1.00 0.00 N ATOM 974 CA GLU A 63 -26.078 2.628 -0.646 1.00 0.00 C ATOM 975 C GLU A 63 -25.015 1.616 -0.210 1.00 0.00 C ATOM 976 O GLU A 63 -24.936 1.251 0.962 1.00 0.00 O ATOM 977 CB GLU A 63 -27.381 1.908 -0.989 1.00 0.00 C ATOM 978 CG GLU A 63 -28.114 1.348 0.211 1.00 0.00 C ATOM 979 CD GLU A 63 -29.398 0.657 -0.188 1.00 0.00 C ATOM 980 OE1 GLU A 63 -30.293 1.331 -0.738 1.00 0.00 O ATOM 981 OE2 GLU A 63 -29.522 -0.559 0.048 1.00 0.00 O ATOM 0 H GLU A 63 -25.918 2.987 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 63 -26.245 3.316 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -28.040 2.601 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -27.162 1.094 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -27.469 0.642 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -28.337 2.154 0.910 1.00 0.00 H new ATOM 988 N TYR A 64 -24.188 1.169 -1.155 1.00 0.00 N ATOM 989 CA TYR A 64 -23.183 0.154 -0.861 1.00 0.00 C ATOM 990 C TYR A 64 -21.815 0.528 -1.420 1.00 0.00 C ATOM 991 O TYR A 64 -21.603 0.522 -2.633 1.00 0.00 O ATOM 992 CB TYR A 64 -23.605 -1.209 -1.412 1.00 0.00 C ATOM 993 CG TYR A 64 -24.705 -1.878 -0.621 1.00 0.00 C ATOM 994 CD1 TYR A 64 -24.447 -2.444 0.619 1.00 0.00 C ATOM 995 CD2 TYR A 64 -25.997 -1.957 -1.123 1.00 0.00 C ATOM 996 CE1 TYR A 64 -25.445 -3.068 1.340 1.00 0.00 C ATOM 997 CE2 TYR A 64 -27.003 -2.578 -0.408 1.00 0.00 C ATOM 998 CZ TYR A 64 -26.723 -3.131 0.823 1.00 0.00 C ATOM 999 OH TYR A 64 -27.719 -3.754 1.539 1.00 0.00 O ATOM 0 H TYR A 64 -24.195 1.492 -2.122 1.00 0.00 H new ATOM 0 HA TYR A 64 -23.104 0.095 0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.936 -1.086 -2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -22.735 -1.866 -1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -23.448 -2.396 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -26.219 -1.526 -2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -25.227 -3.505 2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -28.003 -2.630 -0.812 1.00 0.00 H new ATOM 0 HH TYR A 64 -28.559 -3.711 1.036 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.899 0.862 -0.523 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.507 1.108 -0.883 1.00 0.00 C ATOM 1011 C ARG A 65 -18.607 0.951 0.340 1.00 0.00 C ATOM 1012 O ARG A 65 -18.908 1.469 1.415 1.00 0.00 O ATOM 1013 CB ARG A 65 -19.328 2.484 -1.556 1.00 0.00 C ATOM 1014 CG ARG A 65 -20.268 3.584 -1.068 1.00 0.00 C ATOM 1015 CD ARG A 65 -19.916 4.084 0.322 1.00 0.00 C ATOM 1016 NE ARG A 65 -20.714 5.250 0.684 1.00 0.00 N ATOM 1017 CZ ARG A 65 -21.068 5.565 1.926 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -20.701 4.798 2.948 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -21.794 6.656 2.139 1.00 0.00 N ATOM 0 H ARG A 65 -21.097 0.970 0.472 1.00 0.00 H new ATOM 0 HA ARG A 65 -19.208 0.361 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -18.301 2.813 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.465 2.364 -2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -20.238 4.419 -1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -21.291 3.207 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -20.080 3.289 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -18.857 4.339 0.362 1.00 0.00 H new ATOM 0 HE ARG A 65 -21.022 5.867 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -20.143 3.960 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.977 5.047 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -22.075 7.243 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -22.071 6.907 3.088 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.515 0.219 0.175 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.645 -0.118 1.296 1.00 0.00 C ATOM 1035 C LYS A 66 -15.183 0.104 0.906 1.00 0.00 C ATOM 1036 O LYS A 66 -14.769 -0.275 -0.191 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.890 -1.580 1.689 1.00 0.00 C ATOM 1038 CG LYS A 66 -16.568 -1.932 3.137 1.00 0.00 C ATOM 1039 CD LYS A 66 -15.077 -2.046 3.391 1.00 0.00 C ATOM 1040 CE LYS A 66 -14.797 -2.650 4.759 1.00 0.00 C ATOM 1041 NZ LYS A 66 -15.364 -1.828 5.862 1.00 0.00 N ATOM 0 H LYS A 66 -17.209 -0.154 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.867 0.523 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.936 -1.819 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.294 -2.218 1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.988 -1.170 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.050 -2.875 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.620 -2.663 2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.618 -1.060 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.217 -3.655 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.720 -2.748 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.050 -2.210 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.036 -0.846 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.403 -1.853 5.815 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.409 0.717 1.794 1.00 0.00 N ATOM 1056 CA ASN A 67 -13.013 1.028 1.500 1.00 0.00 C ATOM 1057 C ASN A 67 -12.050 0.290 2.430 1.00 0.00 C ATOM 1058 O ASN A 67 -12.077 0.459 3.648 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.754 2.544 1.557 1.00 0.00 C ATOM 1060 CG ASN A 67 -13.427 3.247 2.726 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -13.669 2.663 3.778 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -13.732 4.522 2.547 1.00 0.00 N ATOM 0 H ASN A 67 -14.722 1.008 2.720 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.824 0.681 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.679 2.716 1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.100 2.996 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.182 5.049 3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.517 4.978 1.660 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.204 -0.538 1.835 1.00 0.00 N ATOM 1070 CA VAL A 68 -10.182 -1.273 2.573 1.00 0.00 C ATOM 1071 C VAL A 68 -8.801 -0.802 2.137 1.00 0.00 C ATOM 1072 O VAL A 68 -8.451 -0.917 0.964 1.00 0.00 O ATOM 1073 CB VAL A 68 -10.284 -2.797 2.335 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -9.247 -3.542 3.161 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -11.683 -3.302 2.649 1.00 0.00 C ATOM 0 H VAL A 68 -11.205 -0.720 0.831 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.340 -1.079 3.634 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.083 -2.988 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.337 -4.613 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.249 -3.208 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.411 -3.340 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.730 -4.377 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.919 -3.094 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.405 -2.798 2.006 1.00 0.00 H new ATOM 1085 N GLY A 69 -8.026 -0.259 3.061 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.711 0.225 2.701 1.00 0.00 C ATOM 1087 C GLY A 69 -5.592 -0.442 3.470 1.00 0.00 C ATOM 1088 O GLY A 69 -5.719 -0.721 4.661 1.00 0.00 O ATOM 0 H GLY A 69 -8.279 -0.145 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.553 0.066 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.669 1.301 2.873 1.00 0.00 H new ATOM 1092 N LEU A 70 -4.501 -0.706 2.771 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.284 -1.220 3.385 1.00 0.00 C ATOM 1094 C LEU A 70 -2.150 -0.241 3.114 1.00 0.00 C ATOM 1095 O LEU A 70 -1.724 0.497 4.000 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.942 -2.607 2.829 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.994 -3.688 3.085 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.639 -4.963 2.340 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.123 -3.965 4.575 1.00 0.00 C ATOM 0 H LEU A 70 -4.432 -0.571 1.762 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.432 -1.322 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.786 -2.522 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.997 -2.932 3.263 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.954 -3.327 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.398 -5.721 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.595 -4.759 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.669 -5.326 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.876 -4.736 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.164 -4.305 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.422 -3.052 5.090 1.00 0.00 H new ATOM 1111 N ARG A 71 -1.686 -0.234 1.873 1.00 0.00 N ATOM 1112 CA ARG A 71 -0.771 0.794 1.396 1.00 0.00 C ATOM 1113 C ARG A 71 -1.560 1.796 0.561 1.00 0.00 C ATOM 1114 O ARG A 71 -1.151 2.936 0.365 1.00 0.00 O ATOM 1115 CB ARG A 71 0.341 0.171 0.549 1.00 0.00 C ATOM 1116 CG ARG A 71 1.349 1.185 0.028 1.00 0.00 C ATOM 1117 CD ARG A 71 2.268 0.579 -1.017 1.00 0.00 C ATOM 1118 NE ARG A 71 3.182 1.575 -1.577 1.00 0.00 N ATOM 1119 CZ ARG A 71 3.222 1.915 -2.864 1.00 0.00 C ATOM 1120 NH1 ARG A 71 2.412 1.326 -3.739 1.00 0.00 N ATOM 1121 NH2 ARG A 71 4.080 2.840 -3.276 1.00 0.00 N ATOM 0 H ARG A 71 -1.930 -0.934 1.173 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.310 1.295 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.865 -0.577 1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.107 -0.351 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.820 2.035 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.944 1.566 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.843 -0.232 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.671 0.142 -1.817 1.00 0.00 H new ATOM 0 HE ARG A 71 3.830 2.039 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.756 0.610 -3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.446 1.590 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.706 3.288 -2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.113 3.102 -4.261 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.718 1.343 0.099 1.00 0.00 N ATOM 1136 CA ASN A 72 -3.582 2.119 -0.777 1.00 0.00 C ATOM 1137 C ASN A 72 -5.016 1.847 -0.380 1.00 0.00 C ATOM 1138 O ASN A 72 -5.314 0.769 0.137 1.00 0.00 O ATOM 1139 CB ASN A 72 -3.381 1.731 -2.251 1.00 0.00 C ATOM 1140 CG ASN A 72 -2.062 2.207 -2.832 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -1.521 3.231 -2.430 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -1.543 1.466 -3.799 1.00 0.00 N ATOM 0 H ASN A 72 -3.086 0.419 0.324 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.337 3.176 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.438 0.646 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.199 2.145 -2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.663 1.741 -4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.023 0.620 -4.107 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.896 2.801 -0.612 1.00 0.00 N ATOM 1150 CA ILE A 73 -7.289 2.638 -0.236 1.00 0.00 C ATOM 1151 C ILE A 73 -8.077 2.039 -1.392 1.00 0.00 C ATOM 1152 O ILE A 73 -8.207 2.656 -2.450 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.931 3.978 0.189 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -7.192 4.570 1.397 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -9.411 3.793 0.508 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -7.236 3.702 2.635 1.00 0.00 C ATOM 0 H ILE A 73 -5.675 3.692 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.319 1.964 0.620 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.846 4.675 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.151 4.742 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.624 5.542 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.842 4.749 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.930 3.420 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.521 3.077 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.691 4.192 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.272 3.551 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.776 2.737 2.420 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.572 0.828 -1.197 1.00 0.00 N ATOM 1169 CA ILE A 74 -9.397 0.179 -2.197 1.00 0.00 C ATOM 1170 C ILE A 74 -10.860 0.466 -1.901 1.00 0.00 C ATOM 1171 O ILE A 74 -11.374 0.092 -0.847 1.00 0.00 O ATOM 1172 CB ILE A 74 -9.180 -1.349 -2.207 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.683 -1.686 -2.251 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -9.906 -1.980 -3.388 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -6.969 -1.151 -3.474 1.00 0.00 C ATOM 0 H ILE A 74 -8.416 0.276 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.116 0.572 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.593 -1.760 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.204 -1.284 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.563 -2.769 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.743 -3.058 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.974 -1.774 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.521 -1.561 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.916 -1.430 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.421 -1.572 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.055 -0.065 -3.500 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.531 1.121 -2.827 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.913 1.517 -2.622 1.00 0.00 C ATOM 1189 C PHE A 75 -13.829 0.729 -3.546 1.00 0.00 C ATOM 1190 O PHE A 75 -13.740 0.849 -4.766 1.00 0.00 O ATOM 1191 CB PHE A 75 -13.060 3.022 -2.866 1.00 0.00 C ATOM 1192 CG PHE A 75 -14.340 3.612 -2.344 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -14.781 3.324 -1.064 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -15.088 4.476 -3.125 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -15.944 3.882 -0.574 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -16.254 5.037 -2.643 1.00 0.00 C ATOM 1197 CZ PHE A 75 -16.682 4.740 -1.365 1.00 0.00 C ATOM 0 H PHE A 75 -11.143 1.391 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 75 -13.200 1.300 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -12.220 3.537 -2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -12.996 3.212 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.207 2.654 -0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -14.755 4.714 -4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.276 3.648 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.830 5.707 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 75 -17.593 5.178 -0.984 1.00 0.00 H new ATOM 1207 N SER A 76 -14.687 -0.094 -2.963 1.00 0.00 N ATOM 1208 CA SER A 76 -15.614 -0.904 -3.737 1.00 0.00 C ATOM 1209 C SER A 76 -16.924 -0.154 -3.962 1.00 0.00 C ATOM 1210 O SER A 76 -17.731 -0.002 -3.044 1.00 0.00 O ATOM 1211 CB SER A 76 -15.869 -2.243 -3.034 1.00 0.00 C ATOM 1212 OG SER A 76 -16.244 -2.052 -1.678 1.00 0.00 O ATOM 0 H SER A 76 -14.760 -0.218 -1.953 1.00 0.00 H new ATOM 0 HA SER A 76 -15.167 -1.106 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.655 -2.787 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.970 -2.858 -3.082 1.00 0.00 H new ATOM 0 HG SER A 76 -15.563 -1.514 -1.223 1.00 0.00 H new ATOM 1218 N ILE A 77 -17.109 0.324 -5.181 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.294 1.087 -5.553 1.00 0.00 C ATOM 1220 C ILE A 77 -19.301 0.185 -6.263 1.00 0.00 C ATOM 1221 O ILE A 77 -18.921 -0.635 -7.093 1.00 0.00 O ATOM 1222 CB ILE A 77 -17.909 2.258 -6.486 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -16.851 3.145 -5.820 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.134 3.074 -6.861 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -16.359 4.282 -6.693 1.00 0.00 C ATOM 0 H ILE A 77 -16.443 0.195 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.744 1.486 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.486 1.843 -7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.266 3.560 -4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -16.001 2.526 -5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -18.839 3.892 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -19.852 2.436 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.591 3.480 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.613 4.862 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.912 3.877 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.197 4.926 -6.958 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.578 0.329 -5.943 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.600 -0.518 -6.539 1.00 0.00 C ATOM 1239 C GLN A 78 -22.298 0.198 -7.697 1.00 0.00 C ATOM 1240 O GLN A 78 -22.546 1.405 -7.628 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.634 -0.921 -5.487 1.00 0.00 C ATOM 1242 CG GLN A 78 -23.351 -2.216 -5.821 1.00 0.00 C ATOM 1243 CD GLN A 78 -22.436 -3.420 -5.696 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -21.530 -3.439 -4.863 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -22.634 -4.414 -6.543 1.00 0.00 N ATOM 0 H GLN A 78 -20.930 1.019 -5.279 1.00 0.00 H new ATOM 0 HA GLN A 78 -21.111 -1.412 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -22.139 -1.026 -4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -23.369 -0.122 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -24.206 -2.339 -5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -23.743 -2.162 -6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -23.395 -4.363 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -22.026 -5.232 -6.520 1.00 0.00 H new ATOM 1254 N LYS A 79 -22.595 -0.546 -8.762 1.00 0.00 N ATOM 1255 CA LYS A 79 -23.368 -0.014 -9.883 1.00 0.00 C ATOM 1256 C LYS A 79 -24.832 0.174 -9.500 1.00 0.00 C ATOM 1257 O LYS A 79 -25.411 -0.657 -8.800 1.00 0.00 O ATOM 1258 CB LYS A 79 -23.301 -0.967 -11.081 1.00 0.00 C ATOM 1259 CG LYS A 79 -22.046 -0.852 -11.926 1.00 0.00 C ATOM 1260 CD LYS A 79 -21.991 -1.961 -12.963 1.00 0.00 C ATOM 1261 CE LYS A 79 -20.945 -1.693 -14.031 1.00 0.00 C ATOM 1262 NZ LYS A 79 -21.364 -0.605 -14.959 1.00 0.00 N ATOM 0 H LYS A 79 -22.312 -1.520 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.935 0.951 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -23.382 -1.991 -10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -24.167 -0.786 -11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -22.024 0.118 -12.423 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -21.165 -0.902 -11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -21.770 -2.908 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -22.969 -2.067 -13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -20.002 -1.422 -13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.765 -2.605 -14.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -20.730 -0.588 -15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -22.340 -0.776 -15.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -21.315 0.310 -14.466 1.00 0.00 H new ATOM 1276 N GLU A 80 -25.435 1.259 -9.963 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.875 1.427 -9.833 1.00 0.00 C ATOM 1278 C GLU A 80 -27.562 0.700 -10.981 1.00 0.00 C ATOM 1279 O GLU A 80 -28.399 -0.175 -10.763 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.261 2.905 -9.833 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.758 3.153 -9.685 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.320 2.604 -8.387 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -29.128 3.247 -7.331 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -29.964 1.536 -8.419 1.00 0.00 O ATOM 0 H GLU A 80 -24.955 2.030 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 80 -27.197 1.004 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -26.737 3.407 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -26.917 3.360 -10.762 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -28.951 4.225 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -29.282 2.696 -10.524 1.00 0.00 H new ATOM 1427 N LEU A 88 -16.611 4.471 -16.435 1.00 0.00 N ATOM 1428 CA LEU A 88 -17.273 4.954 -15.226 1.00 0.00 C ATOM 1429 C LEU A 88 -17.178 6.474 -15.135 1.00 0.00 C ATOM 1430 O LEU A 88 -18.120 7.143 -14.718 1.00 0.00 O ATOM 1431 CB LEU A 88 -16.676 4.304 -13.962 1.00 0.00 C ATOM 1432 CG LEU A 88 -15.260 4.750 -13.557 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -14.927 4.245 -12.162 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -14.216 4.256 -14.550 1.00 0.00 C ATOM 0 HA LEU A 88 -18.324 4.670 -15.286 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.347 4.505 -13.127 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.663 3.224 -14.109 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.242 5.840 -13.560 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.922 4.568 -11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.645 4.649 -11.448 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.975 3.156 -12.148 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.227 4.589 -14.234 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.237 3.167 -14.589 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.435 4.659 -15.539 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.038 7.010 -15.543 1.00 0.00 N ATOM 1447 CA LEU A 89 -15.812 8.444 -15.533 1.00 0.00 C ATOM 1448 C LEU A 89 -16.567 9.101 -16.682 1.00 0.00 C ATOM 1449 O LEU A 89 -16.279 8.843 -17.845 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.314 8.749 -15.645 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.943 10.233 -15.590 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -14.355 10.842 -14.257 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -12.451 10.415 -15.826 1.00 0.00 C ATOM 0 H LEU A 89 -15.248 6.465 -15.888 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.181 8.848 -14.590 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.793 8.231 -14.840 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.944 8.333 -16.582 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.483 10.753 -16.381 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.082 11.897 -14.239 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.433 10.744 -14.130 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.845 10.322 -13.446 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.203 11.476 -15.784 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.893 9.881 -15.057 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.187 10.019 -16.807 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.548 9.925 -16.346 1.00 0.00 N ATOM 1466 CA LYS A 90 -18.334 10.646 -17.341 1.00 0.00 C ATOM 1467 C LYS A 90 -17.431 11.603 -18.116 1.00 0.00 C ATOM 1468 O LYS A 90 -17.630 11.847 -19.306 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.467 11.415 -16.644 1.00 0.00 C ATOM 1470 CG LYS A 90 -20.734 11.569 -17.480 1.00 0.00 C ATOM 1471 CD LYS A 90 -20.534 12.503 -18.662 1.00 0.00 C ATOM 1472 CE LYS A 90 -21.769 12.568 -19.540 1.00 0.00 C ATOM 1473 NZ LYS A 90 -21.545 13.427 -20.728 1.00 0.00 N ATOM 0 H LYS A 90 -17.822 10.113 -15.382 1.00 0.00 H new ATOM 0 HA LYS A 90 -18.773 9.938 -18.044 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.719 10.903 -15.716 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -19.103 12.406 -16.372 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -21.049 10.590 -17.842 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -21.538 11.950 -16.850 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -20.292 13.502 -18.300 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -19.684 12.164 -19.254 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -22.041 11.563 -19.862 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -22.608 12.956 -18.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -22.408 13.450 -21.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -21.309 14.392 -20.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -20.760 13.042 -21.292 1.00 0.00 H new ATOM 1487 N SER A 91 -16.416 12.111 -17.432 1.00 0.00 N ATOM 1488 CA SER A 91 -15.473 13.054 -18.014 1.00 0.00 C ATOM 1489 C SER A 91 -14.372 12.323 -18.793 1.00 0.00 C ATOM 1490 O SER A 91 -13.243 12.805 -18.881 1.00 0.00 O ATOM 1491 CB SER A 91 -14.846 13.878 -16.889 1.00 0.00 C ATOM 1492 OG SER A 91 -15.702 13.914 -15.755 1.00 0.00 O ATOM 0 H SER A 91 -16.223 11.881 -16.457 1.00 0.00 H new ATOM 0 HA SER A 91 -16.005 13.703 -18.710 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.883 13.449 -16.611 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.654 14.893 -17.238 1.00 0.00 H new ATOM 0 HG SER A 91 -16.341 14.651 -15.851 1.00 0.00 H new ATOM 1498 N GLU A 92 -14.717 11.180 -19.383 1.00 0.00 N ATOM 1499 CA GLU A 92 -13.739 10.333 -20.065 1.00 0.00 C ATOM 1500 C GLU A 92 -13.235 10.958 -21.364 1.00 0.00 C ATOM 1501 O GLU A 92 -12.307 10.441 -21.987 1.00 0.00 O ATOM 1502 CB GLU A 92 -14.324 8.936 -20.323 1.00 0.00 C ATOM 1503 CG GLU A 92 -15.749 8.929 -20.872 1.00 0.00 C ATOM 1504 CD GLU A 92 -15.852 9.429 -22.295 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -15.299 8.772 -23.201 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -16.510 10.462 -22.517 1.00 0.00 O ATOM 0 H GLU A 92 -15.670 10.818 -19.403 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.878 10.238 -19.404 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.677 8.411 -21.025 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.306 8.372 -19.390 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.143 7.914 -20.823 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.379 9.547 -20.232 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.853 12.064 -21.771 1.00 0.00 N ATOM 1514 CA GLU A 93 -13.388 12.820 -22.926 1.00 0.00 C ATOM 1515 C GLU A 93 -11.959 13.289 -22.688 1.00 0.00 C ATOM 1516 O GLU A 93 -11.122 13.292 -23.593 1.00 0.00 O ATOM 1517 CB GLU A 93 -14.288 14.034 -23.171 1.00 0.00 C ATOM 1518 CG GLU A 93 -15.768 13.704 -23.189 1.00 0.00 C ATOM 1519 CD GLU A 93 -16.623 14.927 -23.436 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -16.556 15.879 -22.627 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -17.347 14.955 -24.449 1.00 0.00 O ATOM 0 H GLU A 93 -14.678 12.455 -21.316 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.423 12.173 -23.803 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.100 14.776 -22.395 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.015 14.491 -24.122 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.964 12.963 -23.964 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -16.049 13.252 -22.238 1.00 0.00 H new ATOM 1528 N LYS A 94 -11.689 13.676 -21.451 1.00 0.00 N ATOM 1529 CA LYS A 94 -10.364 14.097 -21.038 1.00 0.00 C ATOM 1530 C LYS A 94 -10.121 13.699 -19.586 1.00 0.00 C ATOM 1531 O LYS A 94 -10.426 14.456 -18.662 1.00 0.00 O ATOM 1532 CB LYS A 94 -10.183 15.609 -21.221 1.00 0.00 C ATOM 1533 CG LYS A 94 -11.391 16.428 -20.800 1.00 0.00 C ATOM 1534 CD LYS A 94 -11.034 17.891 -20.615 1.00 0.00 C ATOM 1535 CE LYS A 94 -12.264 18.732 -20.321 1.00 0.00 C ATOM 1536 NZ LYS A 94 -13.138 18.113 -19.283 1.00 0.00 N ATOM 0 H LYS A 94 -12.385 13.706 -20.706 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.631 13.596 -21.670 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.317 15.934 -20.644 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.964 15.815 -22.269 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.174 16.336 -21.552 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.795 16.030 -19.869 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.320 17.992 -19.798 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.544 18.263 -21.515 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.953 19.722 -19.988 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.835 18.869 -21.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.815 18.820 -18.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.657 17.313 -19.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.552 17.773 -18.494 1.00 0.00 H new ATOM 1550 N PRO A 95 -9.607 12.482 -19.367 1.00 0.00 N ATOM 1551 CA PRO A 95 -9.322 11.980 -18.025 1.00 0.00 C ATOM 1552 C PRO A 95 -8.118 12.677 -17.400 1.00 0.00 C ATOM 1553 O PRO A 95 -7.217 13.138 -18.107 1.00 0.00 O ATOM 1554 CB PRO A 95 -9.026 10.497 -18.253 1.00 0.00 C ATOM 1555 CG PRO A 95 -8.535 10.420 -19.657 1.00 0.00 C ATOM 1556 CD PRO A 95 -9.264 11.497 -20.413 1.00 0.00 C ATOM 0 HA PRO A 95 -10.148 12.157 -17.336 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.277 10.130 -17.551 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.920 9.889 -18.112 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.457 10.574 -19.702 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.735 9.438 -20.087 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.637 11.937 -21.189 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.155 11.108 -20.906 1.00 0.00 H new ATOM 1564 N ALA A 96 -8.115 12.763 -16.077 1.00 0.00 N ATOM 1565 CA ALA A 96 -7.009 13.373 -15.358 1.00 0.00 C ATOM 1566 C ALA A 96 -5.779 12.476 -15.421 1.00 0.00 C ATOM 1567 O ALA A 96 -5.901 11.255 -15.407 1.00 0.00 O ATOM 1568 CB ALA A 96 -7.407 13.643 -13.918 1.00 0.00 C ATOM 0 H ALA A 96 -8.867 12.417 -15.481 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.762 14.324 -15.830 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.571 14.100 -13.389 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.262 14.319 -13.897 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.674 12.705 -13.432 1.00 0.00 H new ATOM 1574 N PRO A 97 -4.577 13.072 -15.478 1.00 0.00 N ATOM 1575 CA PRO A 97 -3.318 12.333 -15.658 1.00 0.00 C ATOM 1576 C PRO A 97 -3.060 11.294 -14.567 1.00 0.00 C ATOM 1577 O PRO A 97 -2.399 10.282 -14.806 1.00 0.00 O ATOM 1578 CB PRO A 97 -2.244 13.429 -15.624 1.00 0.00 C ATOM 1579 CG PRO A 97 -2.904 14.605 -14.989 1.00 0.00 C ATOM 1580 CD PRO A 97 -4.347 14.523 -15.381 1.00 0.00 C ATOM 0 HA PRO A 97 -3.332 11.755 -16.582 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.374 13.109 -15.051 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.894 13.669 -16.628 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.791 14.579 -13.905 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.457 15.538 -15.334 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.995 14.986 -14.637 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.538 15.027 -16.328 1.00 0.00 H new ATOM 1588 N TYR A 98 -3.598 11.523 -13.377 1.00 0.00 N ATOM 1589 CA TYR A 98 -3.382 10.600 -12.271 1.00 0.00 C ATOM 1590 C TYR A 98 -4.348 9.428 -12.345 1.00 0.00 C ATOM 1591 O TYR A 98 -4.212 8.455 -11.606 1.00 0.00 O ATOM 1592 CB TYR A 98 -3.499 11.313 -10.918 1.00 0.00 C ATOM 1593 CG TYR A 98 -4.721 12.196 -10.771 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -5.947 11.670 -10.388 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -4.638 13.562 -11.005 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -7.060 12.480 -10.249 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -5.743 14.376 -10.867 1.00 0.00 C ATOM 1598 CZ TYR A 98 -6.952 13.832 -10.489 1.00 0.00 C ATOM 1599 OH TYR A 98 -8.054 14.643 -10.353 1.00 0.00 O ATOM 0 H TYR A 98 -4.181 12.330 -13.154 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.367 10.213 -12.359 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.513 10.563 -10.127 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.608 11.921 -10.765 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -6.034 10.611 -10.195 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.693 13.994 -11.300 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.008 12.055 -9.954 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.661 15.436 -11.055 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.806 15.569 -10.558 1.00 0.00 H new ATOM 1609 N ILE A 99 -5.310 9.519 -13.251 1.00 0.00 N ATOM 1610 CA ILE A 99 -6.279 8.457 -13.434 1.00 0.00 C ATOM 1611 C ILE A 99 -5.785 7.446 -14.442 1.00 0.00 C ATOM 1612 O ILE A 99 -5.485 7.769 -15.593 1.00 0.00 O ATOM 1613 CB ILE A 99 -7.665 9.007 -13.837 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -8.393 9.460 -12.581 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.497 7.967 -14.582 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -9.384 10.583 -12.810 1.00 0.00 C ATOM 0 H ILE A 99 -5.438 10.320 -13.870 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.397 7.955 -12.474 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.521 9.847 -14.517 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.919 8.607 -12.152 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.657 9.784 -11.845 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.464 8.396 -14.846 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.974 7.664 -15.489 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.649 7.097 -13.943 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.860 10.847 -11.865 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.862 11.453 -13.209 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.144 10.258 -13.521 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.694 6.222 -13.977 1.00 0.00 N ATOM 1629 CA LYS A 100 -5.208 5.114 -14.781 1.00 0.00 C ATOM 1630 C LYS A 100 -6.013 3.857 -14.476 1.00 0.00 C ATOM 1631 O LYS A 100 -6.840 3.848 -13.568 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.722 4.852 -14.499 1.00 0.00 C ATOM 1633 CG LYS A 100 -2.807 6.041 -14.754 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.381 5.737 -14.318 1.00 0.00 C ATOM 1635 CE LYS A 100 -0.425 6.861 -14.686 1.00 0.00 C ATOM 1636 NZ LYS A 100 -0.748 8.127 -13.979 1.00 0.00 N ATOM 0 H LYS A 100 -5.955 5.961 -13.026 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.326 5.375 -15.833 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.612 4.543 -13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.391 4.017 -15.116 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.821 6.294 -15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.178 6.912 -14.214 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.357 5.578 -13.240 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.048 4.810 -14.785 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.595 6.562 -14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.461 7.029 -15.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.028 8.806 -14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.627 8.526 -14.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.871 7.936 -12.964 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.765 2.798 -15.227 1.00 0.00 N ATOM 1651 CA VAL A 101 -6.418 1.528 -14.975 1.00 0.00 C ATOM 1652 C VAL A 101 -5.518 0.653 -14.105 1.00 0.00 C ATOM 1653 O VAL A 101 -4.310 0.567 -14.335 1.00 0.00 O ATOM 1654 CB VAL A 101 -6.782 0.800 -16.295 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -5.539 0.511 -17.133 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -7.572 -0.474 -16.009 1.00 0.00 C ATOM 0 H VAL A 101 -5.117 2.793 -16.015 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.352 1.721 -14.447 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.418 1.464 -16.881 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.830 0.000 -18.051 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.042 1.449 -17.381 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.857 -0.122 -16.566 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.817 -0.969 -16.949 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.972 -1.143 -15.392 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.492 -0.221 -15.482 1.00 0.00 H new ATOM 1666 N ASP A 102 -6.101 0.057 -13.074 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.358 -0.826 -12.183 1.00 0.00 C ATOM 1668 C ASP A 102 -4.912 -2.074 -12.936 1.00 0.00 C ATOM 1669 O ASP A 102 -5.715 -2.953 -13.231 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.218 -1.224 -10.981 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.418 -1.891 -9.875 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -4.463 -2.642 -10.181 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -5.735 -1.660 -8.691 1.00 0.00 O ATOM 0 H ASP A 102 -7.086 0.168 -12.833 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.479 -0.292 -11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.709 -0.336 -10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.005 -1.902 -11.312 1.00 0.00 H new ATOM 1678 N TRP A 103 -3.638 -2.124 -13.282 1.00 0.00 N ATOM 1679 CA TRP A 103 -3.082 -3.258 -14.016 1.00 0.00 C ATOM 1680 C TRP A 103 -2.787 -4.448 -13.099 1.00 0.00 C ATOM 1681 O TRP A 103 -2.455 -5.535 -13.571 1.00 0.00 O ATOM 1682 CB TRP A 103 -1.807 -2.833 -14.755 1.00 0.00 C ATOM 1683 CG TRP A 103 -0.770 -2.230 -13.857 1.00 0.00 C ATOM 1684 CD1 TRP A 103 0.116 -2.901 -13.066 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -0.511 -0.834 -13.658 1.00 0.00 C ATOM 1686 NE1 TRP A 103 0.903 -2.010 -12.380 1.00 0.00 N ATOM 1687 CE2 TRP A 103 0.539 -0.734 -12.729 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -1.069 0.341 -14.174 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 1.044 0.492 -12.303 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -0.564 1.557 -13.754 1.00 0.00 C ATOM 1691 CH2 TRP A 103 0.483 1.624 -12.826 1.00 0.00 C ATOM 0 H TRP A 103 -2.962 -1.391 -13.067 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.832 -3.580 -14.738 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.381 -3.701 -15.257 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.069 -2.113 -15.530 1.00 0.00 H new ATOM 0 HD1 TRP A 103 0.188 -3.976 -12.991 1.00 0.00 H new ATOM 0 HE1 TRP A 103 1.639 -2.256 -11.718 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.879 0.298 -14.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.849 0.547 -11.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.984 2.471 -14.148 1.00 0.00 H new ATOM 0 HH2 TRP A 103 0.855 2.590 -12.517 1.00 0.00 H new ATOM 1702 N ASN A 104 -2.907 -4.247 -11.794 1.00 0.00 N ATOM 1703 CA ASN A 104 -2.503 -5.272 -10.838 1.00 0.00 C ATOM 1704 C ASN A 104 -3.710 -6.024 -10.292 1.00 0.00 C ATOM 1705 O ASN A 104 -3.692 -7.249 -10.175 1.00 0.00 O ATOM 1706 CB ASN A 104 -1.713 -4.648 -9.686 1.00 0.00 C ATOM 1707 CG ASN A 104 -1.021 -5.696 -8.835 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -0.618 -6.747 -9.333 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -0.881 -5.428 -7.545 1.00 0.00 N ATOM 0 H ASN A 104 -3.277 -3.394 -11.375 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.866 -5.983 -11.364 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -0.970 -3.959 -10.088 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.386 -4.061 -9.061 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -0.427 -6.103 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.227 -4.546 -7.167 1.00 0.00 H new ATOM 1716 N LYS A 105 -4.759 -5.288 -9.958 1.00 0.00 N ATOM 1717 CA LYS A 105 -5.963 -5.884 -9.389 1.00 0.00 C ATOM 1718 C LYS A 105 -7.014 -6.134 -10.462 1.00 0.00 C ATOM 1719 O LYS A 105 -8.178 -6.395 -10.153 1.00 0.00 O ATOM 1720 CB LYS A 105 -6.541 -4.986 -8.296 1.00 0.00 C ATOM 1721 CG LYS A 105 -5.633 -4.825 -7.090 1.00 0.00 C ATOM 1722 CD LYS A 105 -6.303 -4.006 -5.999 1.00 0.00 C ATOM 1723 CE LYS A 105 -7.578 -4.671 -5.500 1.00 0.00 C ATOM 1724 NZ LYS A 105 -7.301 -5.976 -4.838 1.00 0.00 N ATOM 0 H LYS A 105 -4.803 -4.275 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.683 -6.842 -8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.746 -4.002 -8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.495 -5.398 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.367 -5.807 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.705 -4.341 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.612 -3.873 -5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.536 -3.012 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.083 -4.008 -4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.258 -4.826 -6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.167 -6.324 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.985 -6.666 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.557 -5.851 -4.122 1.00 0.00 H new ATOM 1738 N TRP A 106 -6.611 -6.058 -11.720 1.00 0.00 N ATOM 1739 CA TRP A 106 -7.524 -6.275 -12.817 1.00 0.00 C ATOM 1740 C TRP A 106 -7.577 -7.759 -13.162 1.00 0.00 C ATOM 1741 O TRP A 106 -6.551 -8.444 -13.168 1.00 0.00 O ATOM 1742 CB TRP A 106 -7.083 -5.430 -14.014 1.00 0.00 C ATOM 1743 CG TRP A 106 -7.555 -5.930 -15.336 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -6.875 -6.777 -16.151 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -8.786 -5.627 -15.996 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -7.607 -7.026 -17.287 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -8.787 -6.329 -17.213 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -9.891 -4.831 -15.674 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -9.849 -6.257 -18.112 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -10.944 -4.763 -16.566 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -10.915 -5.474 -17.772 1.00 0.00 C ATOM 0 H TRP A 106 -5.654 -5.847 -12.002 1.00 0.00 H new ATOM 0 HA TRP A 106 -8.531 -5.967 -12.534 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -7.445 -4.411 -13.876 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.994 -5.382 -14.026 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -5.902 -7.194 -15.938 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.321 -7.629 -18.058 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -9.920 -4.280 -14.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -9.830 -6.801 -19.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -11.803 -4.152 -16.329 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -11.754 -5.402 -18.448 1.00 0.00 H new