USER MOD reduce.3.24.130724 H: found=0, std=0, add=1403, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1403 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: B 39 LYS NZ :NH3+ -169:sc= 1.18 (180deg=-0.225) USER MOD Set 1.2: B 43 THR OG1 : rot 168:sc= 2.01 USER MOD Set 2.1: A 85 LYS NZ :NH3+ 162:sc= 2.2 (180deg=0.945) USER MOD Set 2.2: B 74 ASN : amide:sc= 1.86 K(o=4.1,f=-13!) USER MOD Set 3.1: A 61 LYS NZ :NH3+ 149:sc= 2.46 (180deg=0.688) USER MOD Set 3.2: A 67 GLN : amide:sc= 0.628 K(o=3.1,f=-11!) USER MOD Set 4.1: A 60 MET CE :methyl 175:sc= -0.0957 (180deg=-0.129) USER MOD Set 4.2: A 69 SER OG : rot 81:sc= 0.542 USER MOD Single : A 7 THR OG1 : rot -161:sc= 0.798 USER MOD Single : A 12 SER OG : rot 80:sc= 0.954 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 84:sc= 0.975 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.358 USER MOD Single : A 26 GLN : amide:sc= 1.13 K(o=1.1,f=-0.35) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 172:sc= 1.26 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 2.04 K(o=2,f=-0.18) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 1.35 (180deg=1.15) USER MOD Single : A 43 THR OG1 : rot 88:sc= 1.17 USER MOD Single : A 44 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 45 GLN : amide:sc= 0.565 K(o=0.56,f=-1) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= 2.48 (180deg=2.24) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 2.3 (180deg=1.81) USER MOD Single : A 62 SER OG : rot 71:sc= 1.15 USER MOD Single : A 66 ASN : amide:sc= 1.18 K(o=1.2,f=-3.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.4) USER MOD Single : A 76 TYR OH : rot -148:sc= -0.0468 USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= 1.9 (180deg=1.02) USER MOD Single : B 7 THR OG1 : rot -165:sc= 1.76 USER MOD Single : B 12 SER OG : rot 10:sc= 0.532 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : B 22 THR OG1 : rot -75:sc= 1.18 USER MOD Single : B 26 GLN : amide:sc= 1.88 K(o=1.9,f=-11!) USER MOD Single : B 30 LYS NZ :NH3+ -154:sc= 1.21 (180deg=1.06) USER MOD Single : B 32 SER OG : rot 171:sc= 0.863 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= 0.91 K(o=0.91,f=-0.085) USER MOD Single : B 44 GLN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : B 45 GLN : amide:sc= 1.05 K(o=1,f=-5.9!) USER MOD Single : B 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 138:sc= 0.962 (180deg=-0.883!) USER MOD Single : B 55 SER OG : rot 46:sc= 0.251 USER MOD Single : B 59 LYS NZ :NH3+ -134:sc= 2.36 (180deg=1.73) USER MOD Single : B 60 MET CE :methyl 169:sc= -0.0521 (180deg=-0.245) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 170:sc= 1.02 USER MOD Single : B 66 ASN : amide:sc= 0.977 K(o=0.98,f=-0.43) USER MOD Single : B 67 GLN : amide:sc= 1.14 K(o=1.1,f=-0.15) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -173:sc= 1.73 (180deg=1.5) USER MOD Single : B 76 TYR OH : rot 180:sc= -0.0931 USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0.882 (180deg=0.882) USER MOD Single : B 89 LYS NZ :NH3+ 168:sc= -0.0173 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 9.015 -17.676 -15.786 1.00 2.36 N ATOM 41 CA GLU A 4 8.371 -16.601 -16.516 1.00 1.94 C ATOM 42 C GLU A 4 7.606 -15.741 -15.494 1.00 1.90 C ATOM 43 O GLU A 4 7.975 -14.585 -15.297 1.00 2.10 O ATOM 44 CB GLU A 4 7.534 -17.214 -17.659 1.00 3.70 C ATOM 45 CG GLU A 4 6.496 -16.272 -18.282 1.00 4.69 C ATOM 46 CD GLU A 4 7.087 -15.260 -19.259 1.00 5.26 C ATOM 47 OE1 GLU A 4 8.287 -14.946 -19.117 1.00 4.97 O ATOM 48 OE2 GLU A 4 6.320 -14.835 -20.149 1.00 6.60 O ATOM 0 HA GLU A 4 9.066 -15.925 -17.014 1.00 1.94 H new ATOM 0 HB2 GLU A 4 8.211 -17.553 -18.443 1.00 3.70 H new ATOM 0 HB3 GLU A 4 7.019 -18.096 -17.279 1.00 3.70 H new ATOM 0 HG2 GLU A 4 5.745 -16.867 -18.801 1.00 4.69 H new ATOM 0 HG3 GLU A 4 5.982 -15.735 -17.485 1.00 4.69 H new ATOM 55 N PRO A 5 6.593 -16.279 -14.783 1.00 2.10 N ATOM 56 CA PRO A 5 5.982 -15.562 -13.673 1.00 2.23 C ATOM 57 C PRO A 5 6.978 -15.378 -12.521 1.00 1.87 C ATOM 58 O PRO A 5 8.032 -16.015 -12.479 1.00 2.40 O ATOM 59 CB PRO A 5 4.762 -16.389 -13.257 1.00 2.85 C ATOM 60 CG PRO A 5 5.157 -17.807 -13.661 1.00 3.04 C ATOM 61 CD PRO A 5 5.959 -17.581 -14.942 1.00 2.71 C ATOM 0 HA PRO A 5 5.681 -14.554 -13.960 1.00 2.23 H new ATOM 0 HB2 PRO A 5 4.568 -16.313 -12.187 1.00 2.85 H new ATOM 0 HB3 PRO A 5 3.858 -16.060 -13.769 1.00 2.85 H new ATOM 0 HG2 PRO A 5 5.754 -18.296 -12.891 1.00 3.04 H new ATOM 0 HG3 PRO A 5 4.284 -18.436 -13.836 1.00 3.04 H new ATOM 0 HD2 PRO A 5 6.703 -18.365 -15.082 1.00 2.71 H new ATOM 0 HD3 PRO A 5 5.311 -17.597 -15.818 1.00 2.71 H new ATOM 69 N LEU A 6 6.623 -14.477 -11.608 1.00 1.25 N ATOM 70 CA LEU A 6 7.479 -13.864 -10.600 1.00 1.40 C ATOM 71 C LEU A 6 7.062 -14.340 -9.199 1.00 1.49 C ATOM 72 O LEU A 6 6.165 -15.179 -9.088 1.00 1.53 O ATOM 73 CB LEU A 6 7.320 -12.350 -10.798 1.00 1.43 C ATOM 74 CG LEU A 6 7.951 -11.866 -12.120 1.00 1.51 C ATOM 75 CD1 LEU A 6 7.372 -10.496 -12.502 1.00 1.77 C ATOM 76 CD2 LEU A 6 9.475 -11.742 -12.004 1.00 1.77 C ATOM 0 H LEU A 6 5.664 -14.134 -11.551 1.00 1.25 H new ATOM 0 HA LEU A 6 8.528 -14.143 -10.699 1.00 1.40 H new ATOM 0 HB2 LEU A 6 6.261 -12.093 -10.787 1.00 1.43 H new ATOM 0 HB3 LEU A 6 7.784 -11.825 -9.963 1.00 1.43 H new ATOM 0 HG LEU A 6 7.718 -12.605 -12.887 1.00 1.51 H new ATOM 0 HD11 LEU A 6 7.821 -10.159 -13.436 1.00 1.77 H new ATOM 0 HD12 LEU A 6 6.292 -10.579 -12.628 1.00 1.77 H new ATOM 0 HD13 LEU A 6 7.591 -9.776 -11.714 1.00 1.77 H new ATOM 0 HD21 LEU A 6 9.885 -11.399 -12.954 1.00 1.77 H new ATOM 0 HD22 LEU A 6 9.723 -11.025 -11.221 1.00 1.77 H new ATOM 0 HD23 LEU A 6 9.901 -12.714 -11.755 1.00 1.77 H new ATOM 88 N THR A 7 7.702 -13.870 -8.113 1.00 1.58 N ATOM 89 CA THR A 7 7.230 -14.277 -6.781 1.00 1.64 C ATOM 90 C THR A 7 5.883 -13.609 -6.472 1.00 1.55 C ATOM 91 O THR A 7 5.462 -12.686 -7.160 1.00 1.54 O ATOM 92 CB THR A 7 8.278 -14.081 -5.669 1.00 1.76 C ATOM 93 OG1 THR A 7 7.840 -14.687 -4.464 1.00 2.03 O ATOM 94 CG2 THR A 7 8.556 -12.618 -5.358 1.00 1.67 C ATOM 0 H THR A 7 8.505 -13.241 -8.126 1.00 1.58 H new ATOM 0 HA THR A 7 7.071 -15.355 -6.803 1.00 1.64 H new ATOM 0 HB THR A 7 9.191 -14.542 -6.045 1.00 1.76 H new ATOM 0 HG1 THR A 7 8.337 -14.309 -3.708 1.00 2.03 H new ATOM 0 HG21 THR A 7 9.302 -12.550 -4.567 1.00 1.67 H new ATOM 0 HG22 THR A 7 8.929 -12.120 -6.253 1.00 1.67 H new ATOM 0 HG23 THR A 7 7.636 -12.134 -5.031 1.00 1.67 H new ATOM 102 N GLU A 8 5.189 -14.065 -5.432 1.00 1.64 N ATOM 103 CA GLU A 8 3.792 -13.714 -5.201 1.00 1.62 C ATOM 104 C GLU A 8 3.615 -12.202 -4.997 1.00 1.38 C ATOM 105 O GLU A 8 2.825 -11.545 -5.683 1.00 1.39 O ATOM 106 CB GLU A 8 3.293 -14.533 -4.009 1.00 1.80 C ATOM 107 CG GLU A 8 1.781 -14.423 -3.813 1.00 1.55 C ATOM 108 CD GLU A 8 1.358 -15.236 -2.597 1.00 1.74 C ATOM 109 OE1 GLU A 8 1.980 -15.010 -1.534 1.00 2.19 O ATOM 110 OE2 GLU A 8 0.459 -16.088 -2.752 1.00 2.24 O ATOM 0 H GLU A 8 5.580 -14.688 -4.726 1.00 1.64 H new ATOM 0 HA GLU A 8 3.191 -13.957 -6.078 1.00 1.62 H new ATOM 0 HB2 GLU A 8 3.562 -15.579 -4.154 1.00 1.80 H new ATOM 0 HB3 GLU A 8 3.799 -14.196 -3.104 1.00 1.80 H new ATOM 0 HG2 GLU A 8 1.497 -13.379 -3.680 1.00 1.55 H new ATOM 0 HG3 GLU A 8 1.263 -14.784 -4.701 1.00 1.55 H new ATOM 117 N LEU A 9 4.355 -11.626 -4.047 1.00 1.20 N ATOM 118 CA LEU A 9 4.283 -10.189 -3.829 1.00 1.03 C ATOM 119 C LEU A 9 4.714 -9.415 -5.081 1.00 1.01 C ATOM 120 O LEU A 9 4.029 -8.476 -5.459 1.00 1.00 O ATOM 121 CB LEU A 9 5.028 -9.790 -2.544 1.00 0.89 C ATOM 122 CG LEU A 9 4.068 -9.911 -1.344 1.00 0.86 C ATOM 123 CD1 LEU A 9 4.802 -10.085 -0.015 1.00 1.27 C ATOM 124 CD2 LEU A 9 3.197 -8.656 -1.217 1.00 1.44 C ATOM 0 H LEU A 9 4.997 -12.124 -3.431 1.00 1.20 H new ATOM 0 HA LEU A 9 3.244 -9.904 -3.662 1.00 1.03 H new ATOM 0 HB2 LEU A 9 5.896 -10.433 -2.397 1.00 0.89 H new ATOM 0 HB3 LEU A 9 5.399 -8.768 -2.627 1.00 0.89 H new ATOM 0 HG LEU A 9 3.463 -10.796 -1.541 1.00 0.86 H new ATOM 0 HD11 LEU A 9 4.076 -10.165 0.794 1.00 1.27 H new ATOM 0 HD12 LEU A 9 5.408 -10.991 -0.050 1.00 1.27 H new ATOM 0 HD13 LEU A 9 5.447 -9.224 0.160 1.00 1.27 H new ATOM 0 HD21 LEU A 9 2.527 -8.763 -0.364 1.00 1.44 H new ATOM 0 HD22 LEU A 9 3.834 -7.784 -1.071 1.00 1.44 H new ATOM 0 HD23 LEU A 9 2.609 -8.528 -2.126 1.00 1.44 H new ATOM 136 N GLU A 10 5.804 -9.820 -5.738 1.00 1.03 N ATOM 137 CA GLU A 10 6.322 -9.294 -6.998 1.00 1.09 C ATOM 138 C GLU A 10 5.236 -9.231 -8.095 1.00 1.20 C ATOM 139 O GLU A 10 5.001 -8.164 -8.668 1.00 1.24 O ATOM 140 CB GLU A 10 7.548 -10.148 -7.341 1.00 1.16 C ATOM 141 CG GLU A 10 8.513 -9.659 -8.418 1.00 1.85 C ATOM 142 CD GLU A 10 9.755 -10.556 -8.425 1.00 1.76 C ATOM 143 OE1 GLU A 10 9.566 -11.797 -8.470 1.00 2.19 O ATOM 144 OE2 GLU A 10 10.866 -9.993 -8.325 1.00 2.40 O ATOM 0 H GLU A 10 6.386 -10.576 -5.377 1.00 1.03 H new ATOM 0 HA GLU A 10 6.629 -8.251 -6.914 1.00 1.09 H new ATOM 0 HB2 GLU A 10 8.121 -10.285 -6.424 1.00 1.16 H new ATOM 0 HB3 GLU A 10 7.189 -11.132 -7.643 1.00 1.16 H new ATOM 0 HG2 GLU A 10 8.029 -9.680 -9.394 1.00 1.85 H new ATOM 0 HG3 GLU A 10 8.798 -8.625 -8.226 1.00 1.85 H new ATOM 151 N GLU A 11 4.519 -10.337 -8.338 1.00 1.22 N ATOM 152 CA GLU A 11 3.335 -10.361 -9.197 1.00 1.23 C ATOM 153 C GLU A 11 2.387 -9.233 -8.778 1.00 1.23 C ATOM 154 O GLU A 11 2.034 -8.364 -9.573 1.00 1.28 O ATOM 155 CB GLU A 11 2.592 -11.704 -9.071 1.00 1.15 C ATOM 156 CG GLU A 11 3.338 -12.937 -9.605 1.00 2.36 C ATOM 157 CD GLU A 11 3.120 -13.175 -11.096 1.00 2.93 C ATOM 158 OE1 GLU A 11 1.948 -13.103 -11.520 1.00 2.47 O ATOM 159 OE2 GLU A 11 4.126 -13.454 -11.785 1.00 4.43 O ATOM 0 H GLU A 11 4.750 -11.247 -7.938 1.00 1.22 H new ATOM 0 HA GLU A 11 3.655 -10.230 -10.231 1.00 1.23 H new ATOM 0 HB2 GLU A 11 2.360 -11.871 -8.019 1.00 1.15 H new ATOM 0 HB3 GLU A 11 1.641 -11.622 -9.598 1.00 1.15 H new ATOM 0 HG2 GLU A 11 4.405 -12.818 -9.415 1.00 2.36 H new ATOM 0 HG3 GLU A 11 3.012 -13.818 -9.052 1.00 2.36 H new ATOM 166 N SER A 12 1.964 -9.261 -7.512 1.00 1.20 N ATOM 167 CA SER A 12 0.965 -8.355 -6.969 1.00 1.19 C ATOM 168 C SER A 12 1.364 -6.888 -7.164 1.00 1.13 C ATOM 169 O SER A 12 0.575 -6.082 -7.656 1.00 1.17 O ATOM 170 CB SER A 12 0.726 -8.677 -5.488 1.00 1.29 C ATOM 171 OG SER A 12 0.462 -10.057 -5.310 1.00 2.38 O ATOM 0 H SER A 12 2.317 -9.929 -6.827 1.00 1.20 H new ATOM 0 HA SER A 12 0.033 -8.501 -7.516 1.00 1.19 H new ATOM 0 HB2 SER A 12 1.600 -8.391 -4.903 1.00 1.29 H new ATOM 0 HB3 SER A 12 -0.113 -8.090 -5.114 1.00 1.29 H new ATOM 0 HG SER A 12 1.306 -10.555 -5.316 1.00 2.38 H new ATOM 177 N ILE A 13 2.587 -6.524 -6.775 1.00 1.05 N ATOM 178 CA ILE A 13 3.052 -5.153 -6.866 1.00 1.02 C ATOM 179 C ILE A 13 3.053 -4.725 -8.330 1.00 0.97 C ATOM 180 O ILE A 13 2.519 -3.662 -8.636 1.00 0.88 O ATOM 181 CB ILE A 13 4.337 -4.908 -6.039 1.00 1.07 C ATOM 182 CG1 ILE A 13 5.497 -5.850 -6.365 1.00 1.10 C ATOM 183 CG2 ILE A 13 3.932 -5.075 -4.564 1.00 1.14 C ATOM 184 CD1 ILE A 13 6.420 -5.297 -7.441 1.00 1.07 C ATOM 0 H ILE A 13 3.274 -7.173 -6.391 1.00 1.05 H new ATOM 0 HA ILE A 13 2.361 -4.468 -6.375 1.00 1.02 H new ATOM 0 HB ILE A 13 4.714 -3.913 -6.277 1.00 1.07 H new ATOM 0 HG12 ILE A 13 6.073 -6.037 -5.459 1.00 1.10 H new ATOM 0 HG13 ILE A 13 5.098 -6.810 -6.693 1.00 1.10 H new ATOM 0 HG21 ILE A 13 4.802 -4.913 -3.927 1.00 1.14 H new ATOM 0 HG22 ILE A 13 3.159 -4.348 -4.314 1.00 1.14 H new ATOM 0 HG23 ILE A 13 3.548 -6.082 -4.404 1.00 1.14 H new ATOM 0 HD11 ILE A 13 7.224 -6.008 -7.631 1.00 1.07 H new ATOM 0 HD12 ILE A 13 5.854 -5.136 -8.358 1.00 1.07 H new ATOM 0 HD13 ILE A 13 6.844 -4.351 -7.105 1.00 1.07 H new ATOM 196 N GLU A 14 3.525 -5.567 -9.259 1.00 1.05 N ATOM 197 CA GLU A 14 3.437 -5.207 -10.668 1.00 1.03 C ATOM 198 C GLU A 14 1.972 -5.030 -11.099 1.00 1.04 C ATOM 199 O GLU A 14 1.630 -4.041 -11.746 1.00 1.03 O ATOM 200 CB GLU A 14 4.203 -6.199 -11.551 1.00 1.20 C ATOM 201 CG GLU A 14 4.426 -5.569 -12.934 1.00 1.01 C ATOM 202 CD GLU A 14 5.277 -6.448 -13.836 1.00 2.53 C ATOM 203 OE1 GLU A 14 6.491 -6.529 -13.556 1.00 4.21 O ATOM 204 OE2 GLU A 14 4.699 -6.997 -14.799 1.00 3.12 O ATOM 0 H GLU A 14 3.956 -6.471 -9.065 1.00 1.05 H new ATOM 0 HA GLU A 14 3.924 -4.242 -10.805 1.00 1.03 H new ATOM 0 HB2 GLU A 14 5.160 -6.450 -11.093 1.00 1.20 H new ATOM 0 HB3 GLU A 14 3.642 -7.129 -11.647 1.00 1.20 H new ATOM 0 HG2 GLU A 14 3.462 -5.390 -13.409 1.00 1.01 H new ATOM 0 HG3 GLU A 14 4.908 -4.599 -12.816 1.00 1.01 H new ATOM 211 N THR A 15 1.095 -5.964 -10.711 1.00 1.11 N ATOM 212 CA THR A 15 -0.322 -5.945 -11.074 1.00 1.13 C ATOM 213 C THR A 15 -1.003 -4.632 -10.646 1.00 1.06 C ATOM 214 O THR A 15 -1.834 -4.082 -11.372 1.00 1.04 O ATOM 215 CB THR A 15 -1.033 -7.240 -10.606 1.00 1.33 C ATOM 216 OG1 THR A 15 -1.725 -7.821 -11.691 1.00 1.83 O ATOM 217 CG2 THR A 15 -2.032 -7.093 -9.453 1.00 1.15 C ATOM 0 H THR A 15 1.355 -6.761 -10.130 1.00 1.11 H new ATOM 0 HA THR A 15 -0.411 -5.950 -12.160 1.00 1.13 H new ATOM 0 HB THR A 15 -0.220 -7.859 -10.227 1.00 1.33 H new ATOM 0 HG1 THR A 15 -2.172 -8.640 -11.393 1.00 1.83 H new ATOM 0 HG21 THR A 15 -2.462 -8.067 -9.218 1.00 1.15 H new ATOM 0 HG22 THR A 15 -1.519 -6.701 -8.575 1.00 1.15 H new ATOM 0 HG23 THR A 15 -2.827 -6.406 -9.745 1.00 1.15 H new ATOM 225 N VAL A 16 -0.622 -4.074 -9.493 1.00 1.06 N ATOM 226 CA VAL A 16 -1.111 -2.754 -9.112 1.00 1.01 C ATOM 227 C VAL A 16 -0.342 -1.638 -9.836 1.00 0.93 C ATOM 228 O VAL A 16 -0.980 -0.698 -10.301 1.00 0.94 O ATOM 229 CB VAL A 16 -1.255 -2.561 -7.594 1.00 0.98 C ATOM 230 CG1 VAL A 16 -2.223 -3.583 -6.988 1.00 0.96 C ATOM 231 CG2 VAL A 16 0.067 -2.609 -6.839 1.00 0.97 C ATOM 0 H VAL A 16 0.011 -4.509 -8.822 1.00 1.06 H new ATOM 0 HA VAL A 16 -2.139 -2.680 -9.466 1.00 1.01 H new ATOM 0 HB VAL A 16 -1.658 -1.555 -7.476 1.00 0.98 H new ATOM 0 HG11 VAL A 16 -2.301 -3.418 -5.913 1.00 0.96 H new ATOM 0 HG12 VAL A 16 -3.206 -3.469 -7.445 1.00 0.96 H new ATOM 0 HG13 VAL A 16 -1.851 -4.591 -7.174 1.00 0.96 H new ATOM 0 HG21 VAL A 16 -0.117 -2.465 -5.774 1.00 0.97 H new ATOM 0 HG22 VAL A 16 0.542 -3.577 -6.998 1.00 0.97 H new ATOM 0 HG23 VAL A 16 0.723 -1.819 -7.204 1.00 0.97 H new ATOM 241 N VAL A 17 0.984 -1.729 -10.011 1.00 0.89 N ATOM 242 CA VAL A 17 1.743 -0.733 -10.776 1.00 0.80 C ATOM 243 C VAL A 17 1.109 -0.496 -12.147 1.00 0.68 C ATOM 244 O VAL A 17 0.910 0.651 -12.544 1.00 0.60 O ATOM 245 CB VAL A 17 3.230 -1.114 -10.916 1.00 0.89 C ATOM 246 CG1 VAL A 17 3.969 -0.232 -11.934 1.00 0.81 C ATOM 247 CG2 VAL A 17 3.951 -0.945 -9.578 1.00 1.06 C ATOM 0 H VAL A 17 1.553 -2.485 -9.631 1.00 0.89 H new ATOM 0 HA VAL A 17 1.703 0.199 -10.212 1.00 0.80 H new ATOM 0 HB VAL A 17 3.244 -2.150 -11.253 1.00 0.89 H new ATOM 0 HG11 VAL A 17 5.012 -0.542 -11.994 1.00 0.81 H new ATOM 0 HG12 VAL A 17 3.502 -0.337 -12.913 1.00 0.81 H new ATOM 0 HG13 VAL A 17 3.918 0.810 -11.618 1.00 0.81 H new ATOM 0 HG21 VAL A 17 5.000 -1.218 -9.693 1.00 1.06 H new ATOM 0 HG22 VAL A 17 3.880 0.094 -9.255 1.00 1.06 H new ATOM 0 HG23 VAL A 17 3.488 -1.590 -8.831 1.00 1.06 H new ATOM 257 N THR A 18 0.790 -1.562 -12.884 1.00 0.73 N ATOM 258 CA THR A 18 0.148 -1.407 -14.183 1.00 0.67 C ATOM 259 C THR A 18 -1.193 -0.668 -14.037 1.00 0.64 C ATOM 260 O THR A 18 -1.481 0.234 -14.827 1.00 0.59 O ATOM 261 CB THR A 18 0.066 -2.748 -14.930 1.00 0.71 C ATOM 262 OG1 THR A 18 -0.460 -2.561 -16.227 1.00 0.70 O ATOM 263 CG2 THR A 18 -0.766 -3.802 -14.204 1.00 0.75 C ATOM 0 H THR A 18 0.964 -2.528 -12.605 1.00 0.73 H new ATOM 0 HA THR A 18 0.765 -0.773 -14.820 1.00 0.67 H new ATOM 0 HB THR A 18 1.089 -3.120 -14.981 1.00 0.71 H new ATOM 0 HG1 THR A 18 -0.504 -3.424 -16.690 1.00 0.70 H new ATOM 0 HG21 THR A 18 -0.780 -4.721 -14.789 1.00 0.75 H new ATOM 0 HG22 THR A 18 -0.328 -4.001 -13.226 1.00 0.75 H new ATOM 0 HG23 THR A 18 -1.785 -3.437 -14.078 1.00 0.75 H new ATOM 271 N THR A 19 -1.975 -0.984 -12.996 1.00 0.73 N ATOM 272 CA THR A 19 -3.234 -0.308 -12.702 1.00 0.79 C ATOM 273 C THR A 19 -2.988 1.193 -12.488 1.00 0.76 C ATOM 274 O THR A 19 -3.632 2.027 -13.130 1.00 0.75 O ATOM 275 CB THR A 19 -3.938 -1.003 -11.519 1.00 0.95 C ATOM 276 OG1 THR A 19 -4.034 -2.389 -11.800 1.00 0.99 O ATOM 277 CG2 THR A 19 -5.358 -0.471 -11.268 1.00 1.08 C ATOM 0 H THR A 19 -1.745 -1.723 -12.332 1.00 0.73 H new ATOM 0 HA THR A 19 -3.915 -0.384 -13.550 1.00 0.79 H new ATOM 0 HB THR A 19 -3.343 -0.802 -10.628 1.00 0.95 H new ATOM 0 HG1 THR A 19 -3.196 -2.832 -11.551 1.00 0.99 H new ATOM 0 HG21 THR A 19 -5.800 -0.999 -10.423 1.00 1.08 H new ATOM 0 HG22 THR A 19 -5.313 0.595 -11.046 1.00 1.08 H new ATOM 0 HG23 THR A 19 -5.969 -0.631 -12.156 1.00 1.08 H new ATOM 285 N PHE A 20 -2.015 1.539 -11.636 1.00 0.78 N ATOM 286 CA PHE A 20 -1.601 2.920 -11.406 1.00 0.73 C ATOM 287 C PHE A 20 -1.293 3.581 -12.746 1.00 0.61 C ATOM 288 O PHE A 20 -1.861 4.613 -13.085 1.00 0.61 O ATOM 289 CB PHE A 20 -0.333 3.005 -10.535 1.00 0.86 C ATOM 290 CG PHE A 20 -0.303 2.298 -9.194 1.00 2.27 C ATOM 291 CD1 PHE A 20 -1.466 1.785 -8.590 1.00 4.02 C ATOM 292 CD2 PHE A 20 0.930 2.198 -8.524 1.00 3.42 C ATOM 293 CE1 PHE A 20 -1.365 1.048 -7.400 1.00 6.12 C ATOM 294 CE2 PHE A 20 1.027 1.475 -7.325 1.00 5.36 C ATOM 295 CZ PHE A 20 -0.113 0.859 -6.788 1.00 6.61 C ATOM 0 H PHE A 20 -1.491 0.859 -11.084 1.00 0.78 H new ATOM 0 HA PHE A 20 -2.417 3.424 -10.888 1.00 0.73 H new ATOM 0 HB2 PHE A 20 0.497 2.619 -11.127 1.00 0.86 H new ATOM 0 HB3 PHE A 20 -0.131 4.061 -10.353 1.00 0.86 H new ATOM 0 HD1 PHE A 20 -2.432 1.958 -9.040 1.00 4.02 H new ATOM 0 HD2 PHE A 20 1.805 2.680 -8.934 1.00 3.42 H new ATOM 0 HE1 PHE A 20 -2.252 0.624 -6.953 1.00 6.12 H new ATOM 0 HE2 PHE A 20 1.977 1.393 -6.817 1.00 5.36 H new ATOM 0 HZ PHE A 20 -0.029 0.241 -5.906 1.00 6.61 H new ATOM 305 N PHE A 21 -0.363 2.976 -13.487 1.00 0.59 N ATOM 306 CA PHE A 21 0.195 3.516 -14.710 1.00 0.61 C ATOM 307 C PHE A 21 -0.913 3.809 -15.715 1.00 0.63 C ATOM 308 O PHE A 21 -1.011 4.926 -16.220 1.00 0.70 O ATOM 309 CB PHE A 21 1.225 2.528 -15.268 1.00 0.70 C ATOM 310 CG PHE A 21 1.949 3.002 -16.511 1.00 1.25 C ATOM 311 CD1 PHE A 21 2.999 3.932 -16.397 1.00 1.96 C ATOM 312 CD2 PHE A 21 1.653 2.434 -17.765 1.00 2.84 C ATOM 313 CE1 PHE A 21 3.811 4.218 -17.508 1.00 2.55 C ATOM 314 CE2 PHE A 21 2.458 2.730 -18.879 1.00 3.62 C ATOM 315 CZ PHE A 21 3.558 3.594 -18.742 1.00 3.03 C ATOM 0 H PHE A 21 0.029 2.068 -13.237 1.00 0.59 H new ATOM 0 HA PHE A 21 0.699 4.461 -14.505 1.00 0.61 H new ATOM 0 HB2 PHE A 21 1.962 2.317 -14.493 1.00 0.70 H new ATOM 0 HB3 PHE A 21 0.721 1.588 -15.494 1.00 0.70 H new ATOM 0 HD1 PHE A 21 3.181 4.427 -15.454 1.00 1.96 H new ATOM 0 HD2 PHE A 21 0.807 1.771 -17.871 1.00 2.84 H new ATOM 0 HE1 PHE A 21 4.629 4.917 -17.414 1.00 2.55 H new ATOM 0 HE2 PHE A 21 2.231 2.293 -19.840 1.00 3.62 H new ATOM 0 HZ PHE A 21 4.208 3.778 -19.584 1.00 3.03 H new ATOM 325 N THR A 22 -1.759 2.814 -16.008 1.00 0.66 N ATOM 326 CA THR A 22 -2.793 3.011 -17.007 1.00 0.77 C ATOM 327 C THR A 22 -3.770 4.098 -16.556 1.00 0.82 C ATOM 328 O THR A 22 -4.031 5.017 -17.325 1.00 0.98 O ATOM 329 CB THR A 22 -3.449 1.697 -17.461 1.00 0.86 C ATOM 330 OG1 THR A 22 -4.205 1.942 -18.635 1.00 1.83 O ATOM 331 CG2 THR A 22 -4.366 1.053 -16.420 1.00 1.72 C ATOM 0 H THR A 22 -1.743 1.890 -15.575 1.00 0.66 H new ATOM 0 HA THR A 22 -2.325 3.382 -17.919 1.00 0.77 H new ATOM 0 HB THR A 22 -2.632 0.996 -17.632 1.00 0.86 H new ATOM 0 HG1 THR A 22 -4.626 1.109 -18.933 1.00 1.83 H new ATOM 0 HG21 THR A 22 -4.785 0.132 -16.825 1.00 1.72 H new ATOM 0 HG22 THR A 22 -3.793 0.827 -15.521 1.00 1.72 H new ATOM 0 HG23 THR A 22 -5.174 1.741 -16.172 1.00 1.72 H new ATOM 339 N PHE A 23 -4.279 4.053 -15.321 1.00 0.87 N ATOM 340 CA PHE A 23 -5.194 5.104 -14.876 1.00 1.04 C ATOM 341 C PHE A 23 -4.508 6.473 -14.913 1.00 1.04 C ATOM 342 O PHE A 23 -5.077 7.450 -15.376 1.00 1.22 O ATOM 343 CB PHE A 23 -5.765 4.798 -13.489 1.00 1.14 C ATOM 344 CG PHE A 23 -7.009 3.925 -13.521 1.00 1.48 C ATOM 345 CD1 PHE A 23 -6.919 2.569 -13.885 1.00 2.89 C ATOM 346 CD2 PHE A 23 -8.276 4.503 -13.303 1.00 2.02 C ATOM 347 CE1 PHE A 23 -8.085 1.802 -14.063 1.00 3.47 C ATOM 348 CE2 PHE A 23 -9.440 3.727 -13.445 1.00 2.49 C ATOM 349 CZ PHE A 23 -9.346 2.381 -13.837 1.00 2.83 C ATOM 0 H PHE A 23 -4.081 3.326 -14.633 1.00 0.87 H new ATOM 0 HA PHE A 23 -6.035 5.134 -15.569 1.00 1.04 H new ATOM 0 HB2 PHE A 23 -4.999 4.303 -12.891 1.00 1.14 H new ATOM 0 HB3 PHE A 23 -6.003 5.736 -12.988 1.00 1.14 H new ATOM 0 HD1 PHE A 23 -5.950 2.114 -14.029 1.00 2.89 H new ATOM 0 HD2 PHE A 23 -8.353 5.544 -13.026 1.00 2.02 H new ATOM 0 HE1 PHE A 23 -8.011 0.770 -14.373 1.00 3.47 H new ATOM 0 HE2 PHE A 23 -10.408 4.166 -13.252 1.00 2.49 H new ATOM 0 HZ PHE A 23 -10.242 1.792 -13.965 1.00 2.83 H new ATOM 359 N ALA A 24 -3.256 6.549 -14.471 1.00 0.90 N ATOM 360 CA ALA A 24 -2.444 7.753 -14.484 1.00 0.94 C ATOM 361 C ALA A 24 -2.204 8.265 -15.903 1.00 1.04 C ATOM 362 O ALA A 24 -1.770 9.412 -16.055 1.00 1.05 O ATOM 363 CB ALA A 24 -1.118 7.517 -13.756 1.00 0.92 C ATOM 0 H ALA A 24 -2.766 5.744 -14.081 1.00 0.90 H new ATOM 0 HA ALA A 24 -2.998 8.527 -13.953 1.00 0.94 H new ATOM 0 HB1 ALA A 24 -0.524 8.431 -13.777 1.00 0.92 H new ATOM 0 HB2 ALA A 24 -1.316 7.236 -12.722 1.00 0.92 H new ATOM 0 HB3 ALA A 24 -0.569 6.716 -14.251 1.00 0.92 H new ATOM 369 N ARG A 25 -2.413 7.427 -16.926 1.00 1.15 N ATOM 370 CA ARG A 25 -2.342 7.839 -18.316 1.00 1.29 C ATOM 371 C ARG A 25 -3.524 8.731 -18.705 1.00 1.34 C ATOM 372 O ARG A 25 -3.410 9.407 -19.726 1.00 1.52 O ATOM 373 CB ARG A 25 -2.191 6.613 -19.245 1.00 1.41 C ATOM 374 CG ARG A 25 -3.459 6.240 -20.035 1.00 1.88 C ATOM 375 CD ARG A 25 -3.365 4.821 -20.606 1.00 2.46 C ATOM 376 NE ARG A 25 -4.471 4.554 -21.540 1.00 2.95 N ATOM 377 CZ ARG A 25 -4.931 3.346 -21.911 1.00 3.92 C ATOM 378 NH1 ARG A 25 -4.566 2.233 -21.264 1.00 5.03 N ATOM 379 NH2 ARG A 25 -5.769 3.255 -22.950 1.00 4.55 N ATOM 0 H ARG A 25 -2.637 6.440 -16.802 1.00 1.15 H new ATOM 0 HA ARG A 25 -1.448 8.450 -18.443 1.00 1.29 H new ATOM 0 HB2 ARG A 25 -1.384 6.808 -19.952 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -1.889 5.755 -18.644 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -4.330 6.315 -19.384 1.00 1.88 H new ATOM 0 HG3 ARG A 25 -3.606 6.952 -20.847 1.00 1.88 H new ATOM 0 HD2 ARG A 25 -2.412 4.694 -21.120 1.00 2.46 H new ATOM 0 HD3 ARG A 25 -3.388 4.096 -19.793 1.00 2.46 H new ATOM 0 HE ARG A 25 -4.935 5.366 -21.946 1.00 2.95 H new ATOM 0 HH11 ARG A 25 -3.926 2.290 -20.472 1.00 5.03 H new ATOM 0 HH12 ARG A 25 -4.928 1.327 -21.563 1.00 5.03 H new ATOM 0 HH21 ARG A 25 -6.053 4.097 -23.452 1.00 4.55 H new ATOM 0 HH22 ARG A 25 -6.124 2.344 -23.240 1.00 4.55 H new ATOM 393 N GLN A 26 -4.642 8.707 -17.955 1.00 1.24 N ATOM 394 CA GLN A 26 -5.855 9.451 -18.307 1.00 1.26 C ATOM 395 C GLN A 26 -5.537 10.864 -18.808 1.00 1.26 C ATOM 396 O GLN A 26 -5.850 11.232 -19.938 1.00 1.42 O ATOM 397 CB GLN A 26 -6.753 9.609 -17.071 1.00 1.10 C ATOM 398 CG GLN A 26 -8.166 9.071 -17.188 1.00 1.36 C ATOM 399 CD GLN A 26 -8.335 7.633 -16.712 1.00 1.88 C ATOM 400 OE1 GLN A 26 -7.566 6.750 -17.054 1.00 2.12 O ATOM 401 NE2 GLN A 26 -9.358 7.380 -15.924 1.00 2.73 N ATOM 0 H GLN A 26 -4.725 8.171 -17.091 1.00 1.24 H new ATOM 0 HA GLN A 26 -6.349 8.883 -19.095 1.00 1.26 H new ATOM 0 HB2 GLN A 26 -6.267 9.113 -16.231 1.00 1.10 H new ATOM 0 HB3 GLN A 26 -6.811 10.669 -16.825 1.00 1.10 H new ATOM 0 HG2 GLN A 26 -8.834 9.712 -16.613 1.00 1.36 H new ATOM 0 HG3 GLN A 26 -8.481 9.135 -18.230 1.00 1.36 H new ATOM 0 HE21 GLN A 26 -9.989 8.133 -15.650 1.00 2.73 H new ATOM 0 HE22 GLN A 26 -9.520 6.431 -15.587 1.00 2.73 H new ATOM 410 N GLU A 27 -4.950 11.647 -17.905 1.00 1.15 N ATOM 411 CA GLU A 27 -4.594 13.038 -18.077 1.00 1.19 C ATOM 412 C GLU A 27 -3.089 13.135 -17.872 1.00 1.20 C ATOM 413 O GLU A 27 -2.462 12.183 -17.388 1.00 1.74 O ATOM 414 CB GLU A 27 -5.306 13.907 -17.026 1.00 1.19 C ATOM 415 CG GLU A 27 -6.836 13.823 -17.033 1.00 1.26 C ATOM 416 CD GLU A 27 -7.384 14.774 -15.978 1.00 1.68 C ATOM 417 OE1 GLU A 27 -7.332 15.994 -16.232 1.00 2.39 O ATOM 418 OE2 GLU A 27 -7.800 14.278 -14.907 1.00 2.29 O ATOM 0 H GLU A 27 -4.699 11.298 -16.980 1.00 1.15 H new ATOM 0 HA GLU A 27 -4.889 13.390 -19.066 1.00 1.19 H new ATOM 0 HB2 GLU A 27 -4.947 13.619 -16.038 1.00 1.19 H new ATOM 0 HB3 GLU A 27 -5.015 14.946 -17.181 1.00 1.19 H new ATOM 0 HG2 GLU A 27 -7.224 14.087 -18.017 1.00 1.26 H new ATOM 0 HG3 GLU A 27 -7.159 12.803 -16.826 1.00 1.26 H new ATOM 425 N GLY A 28 -2.537 14.316 -18.165 1.00 1.21 N ATOM 426 CA GLY A 28 -1.150 14.721 -17.971 1.00 1.38 C ATOM 427 C GLY A 28 -0.324 13.752 -17.123 1.00 1.24 C ATOM 428 O GLY A 28 -0.665 13.474 -15.965 1.00 1.34 O ATOM 0 H GLY A 28 -3.093 15.067 -18.574 1.00 1.21 H new ATOM 0 HA2 GLY A 28 -0.675 14.828 -18.946 1.00 1.38 H new ATOM 0 HA3 GLY A 28 -1.133 15.703 -17.499 1.00 1.38 H new ATOM 432 N ARG A 29 0.741 13.202 -17.716 1.00 1.27 N ATOM 433 CA ARG A 29 1.777 12.481 -16.994 1.00 1.28 C ATOM 434 C ARG A 29 1.310 11.112 -16.502 1.00 1.23 C ATOM 435 O ARG A 29 0.505 11.013 -15.568 1.00 1.23 O ATOM 436 CB ARG A 29 2.379 13.362 -15.899 1.00 1.38 C ATOM 437 CG ARG A 29 3.743 12.851 -15.409 1.00 2.55 C ATOM 438 CD ARG A 29 4.633 14.045 -15.045 1.00 2.60 C ATOM 439 NE ARG A 29 5.067 14.759 -16.260 1.00 2.70 N ATOM 440 CZ ARG A 29 5.656 15.964 -16.298 1.00 3.13 C ATOM 441 NH1 ARG A 29 5.855 16.648 -15.166 1.00 3.58 N ATOM 442 NH2 ARG A 29 6.044 16.476 -17.473 1.00 4.02 N ATOM 0 H ARG A 29 0.903 13.249 -18.722 1.00 1.27 H new ATOM 0 HA ARG A 29 2.582 12.254 -17.693 1.00 1.28 H new ATOM 0 HB2 ARG A 29 2.491 14.378 -16.277 1.00 1.38 H new ATOM 0 HB3 ARG A 29 1.689 13.409 -15.056 1.00 1.38 H new ATOM 0 HG2 ARG A 29 3.611 12.204 -14.542 1.00 2.55 H new ATOM 0 HG3 ARG A 29 4.219 12.251 -16.185 1.00 2.55 H new ATOM 0 HD2 ARG A 29 4.088 14.726 -14.392 1.00 2.60 H new ATOM 0 HD3 ARG A 29 5.505 13.700 -14.489 1.00 2.60 H new ATOM 0 HE ARG A 29 4.905 14.294 -17.153 1.00 2.70 H new ATOM 0 HH11 ARG A 29 5.559 16.254 -14.273 1.00 3.58 H new ATOM 0 HH12 ARG A 29 6.303 17.564 -15.196 1.00 3.58 H new ATOM 0 HH21 ARG A 29 5.891 15.950 -18.334 1.00 4.02 H new ATOM 0 HH22 ARG A 29 6.492 17.392 -17.507 1.00 4.02 H new ATOM 456 N LYS A 30 1.772 10.057 -17.179 1.00 1.28 N ATOM 457 CA LYS A 30 1.494 8.666 -16.835 1.00 1.31 C ATOM 458 C LYS A 30 2.293 8.181 -15.611 1.00 1.31 C ATOM 459 O LYS A 30 2.916 7.121 -15.641 1.00 1.51 O ATOM 460 CB LYS A 30 1.661 7.782 -18.084 1.00 1.50 C ATOM 461 CG LYS A 30 3.088 7.748 -18.659 1.00 1.63 C ATOM 462 CD LYS A 30 3.079 7.059 -20.029 1.00 2.13 C ATOM 463 CE LYS A 30 4.506 6.989 -20.598 1.00 2.54 C ATOM 464 NZ LYS A 30 4.542 6.426 -21.964 1.00 3.73 N ATOM 0 H LYS A 30 2.365 10.153 -18.003 1.00 1.28 H new ATOM 0 HA LYS A 30 0.455 8.585 -16.515 1.00 1.31 H new ATOM 0 HB2 LYS A 30 1.359 6.764 -17.836 1.00 1.50 H new ATOM 0 HB3 LYS A 30 0.980 8.137 -18.858 1.00 1.50 H new ATOM 0 HG2 LYS A 30 3.476 8.762 -18.754 1.00 1.63 H new ATOM 0 HG3 LYS A 30 3.752 7.215 -17.978 1.00 1.63 H new ATOM 0 HD2 LYS A 30 2.667 6.054 -19.936 1.00 2.13 H new ATOM 0 HD3 LYS A 30 2.433 7.606 -20.715 1.00 2.13 H new ATOM 0 HE2 LYS A 30 4.939 7.989 -20.609 1.00 2.54 H new ATOM 0 HE3 LYS A 30 5.127 6.380 -19.941 1.00 2.54 H new ATOM 0 HZ1 LYS A 30 5.525 6.400 -22.303 1.00 3.73 H new ATOM 0 HZ2 LYS A 30 4.154 5.461 -21.952 1.00 3.73 H new ATOM 0 HZ3 LYS A 30 3.972 7.020 -22.600 1.00 3.73 H new ATOM 478 N ASP A 31 2.241 8.962 -14.531 1.00 1.32 N ATOM 479 CA ASP A 31 2.815 8.653 -13.226 1.00 1.53 C ATOM 480 C ASP A 31 1.913 9.298 -12.181 1.00 1.56 C ATOM 481 O ASP A 31 1.369 8.627 -11.310 1.00 2.02 O ATOM 482 CB ASP A 31 4.251 9.195 -13.099 1.00 1.75 C ATOM 483 CG ASP A 31 5.317 8.125 -13.276 1.00 2.74 C ATOM 484 OD1 ASP A 31 5.551 7.345 -12.325 1.00 3.72 O ATOM 485 OD2 ASP A 31 5.985 8.129 -14.331 1.00 3.41 O ATOM 0 H ASP A 31 1.775 9.869 -14.546 1.00 1.32 H new ATOM 0 HA ASP A 31 2.873 7.573 -13.088 1.00 1.53 H new ATOM 0 HB2 ASP A 31 4.404 9.977 -13.843 1.00 1.75 H new ATOM 0 HB3 ASP A 31 4.371 9.659 -12.120 1.00 1.75 H new ATOM 490 N SER A 32 1.744 10.617 -12.294 1.00 1.23 N ATOM 491 CA SER A 32 0.924 11.413 -11.407 1.00 1.19 C ATOM 492 C SER A 32 -0.545 11.379 -11.833 1.00 1.01 C ATOM 493 O SER A 32 -0.881 11.362 -13.030 1.00 1.00 O ATOM 494 CB SER A 32 1.455 12.850 -11.413 1.00 1.26 C ATOM 495 OG SER A 32 2.095 13.121 -12.643 1.00 1.66 O ATOM 0 H SER A 32 2.190 11.167 -13.028 1.00 1.23 H new ATOM 0 HA SER A 32 0.977 11.002 -10.399 1.00 1.19 H new ATOM 0 HB2 SER A 32 0.635 13.551 -11.258 1.00 1.26 H new ATOM 0 HB3 SER A 32 2.155 12.992 -10.590 1.00 1.26 H new ATOM 0 HG SER A 32 2.313 14.075 -12.695 1.00 1.66 H new ATOM 501 N LEU A 33 -1.422 11.397 -10.828 1.00 0.98 N ATOM 502 CA LEU A 33 -2.854 11.521 -11.015 1.00 0.94 C ATOM 503 C LEU A 33 -3.242 12.976 -10.756 1.00 0.90 C ATOM 504 O LEU A 33 -3.003 13.482 -9.664 1.00 1.17 O ATOM 505 CB LEU A 33 -3.611 10.549 -10.101 1.00 1.07 C ATOM 506 CG LEU A 33 -3.430 9.089 -10.538 1.00 0.98 C ATOM 507 CD1 LEU A 33 -2.092 8.486 -10.092 1.00 2.04 C ATOM 508 CD2 LEU A 33 -4.583 8.236 -10.009 1.00 2.75 C ATOM 0 H LEU A 33 -1.145 11.324 -9.849 1.00 0.98 H new ATOM 0 HA LEU A 33 -3.129 11.255 -12.036 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -3.259 10.667 -9.076 1.00 1.07 H new ATOM 0 HB3 LEU A 33 -4.672 10.800 -10.105 1.00 1.07 H new ATOM 0 HG LEU A 33 -3.430 9.089 -11.628 1.00 0.98 H new ATOM 0 HD11 LEU A 33 -2.027 7.453 -10.433 1.00 2.04 H new ATOM 0 HD12 LEU A 33 -1.272 9.062 -10.521 1.00 2.04 H new ATOM 0 HD13 LEU A 33 -2.025 8.514 -9.004 1.00 2.04 H new ATOM 0 HD21 LEU A 33 -4.445 7.202 -10.325 1.00 2.75 H new ATOM 0 HD22 LEU A 33 -4.601 8.284 -8.920 1.00 2.75 H new ATOM 0 HD23 LEU A 33 -5.526 8.613 -10.405 1.00 2.75 H new ATOM 520 N SER A 34 -3.848 13.654 -11.727 1.00 0.88 N ATOM 521 CA SER A 34 -4.303 15.026 -11.535 1.00 0.96 C ATOM 522 C SER A 34 -5.631 14.976 -10.769 1.00 0.90 C ATOM 523 O SER A 34 -6.190 13.899 -10.605 1.00 0.90 O ATOM 524 CB SER A 34 -4.455 15.687 -12.911 1.00 1.22 C ATOM 525 OG SER A 34 -3.248 15.534 -13.640 1.00 2.58 O ATOM 0 H SER A 34 -4.035 13.274 -12.655 1.00 0.88 H new ATOM 0 HA SER A 34 -3.592 15.617 -10.958 1.00 0.96 H new ATOM 0 HB2 SER A 34 -5.283 15.233 -13.456 1.00 1.22 H new ATOM 0 HB3 SER A 34 -4.692 16.745 -12.795 1.00 1.22 H new ATOM 0 HG SER A 34 -3.342 15.954 -14.521 1.00 2.58 H new ATOM 531 N VAL A 35 -6.128 16.097 -10.234 1.00 1.00 N ATOM 532 CA VAL A 35 -7.267 16.053 -9.309 1.00 1.06 C ATOM 533 C VAL A 35 -8.485 15.326 -9.902 1.00 1.07 C ATOM 534 O VAL A 35 -9.111 14.498 -9.238 1.00 1.09 O ATOM 535 CB VAL A 35 -7.607 17.461 -8.793 1.00 1.28 C ATOM 536 CG1 VAL A 35 -8.332 18.341 -9.817 1.00 1.89 C ATOM 537 CG2 VAL A 35 -8.437 17.384 -7.504 1.00 2.04 C ATOM 0 H VAL A 35 -5.767 17.032 -10.421 1.00 1.00 H new ATOM 0 HA VAL A 35 -6.967 15.455 -8.449 1.00 1.06 H new ATOM 0 HB VAL A 35 -6.646 17.936 -8.594 1.00 1.28 H new ATOM 0 HG11 VAL A 35 -8.537 19.317 -9.378 1.00 1.89 H new ATOM 0 HG12 VAL A 35 -7.704 18.465 -10.700 1.00 1.89 H new ATOM 0 HG13 VAL A 35 -9.271 17.868 -10.103 1.00 1.89 H new ATOM 0 HG21 VAL A 35 -8.666 18.392 -7.158 1.00 2.04 H new ATOM 0 HG22 VAL A 35 -9.366 16.849 -7.701 1.00 2.04 H new ATOM 0 HG23 VAL A 35 -7.870 16.857 -6.737 1.00 2.04 H new ATOM 547 N ASN A 36 -8.809 15.628 -11.162 1.00 1.14 N ATOM 548 CA ASN A 36 -9.894 14.965 -11.867 1.00 1.22 C ATOM 549 C ASN A 36 -9.586 13.472 -11.988 1.00 1.17 C ATOM 550 O ASN A 36 -10.331 12.663 -11.448 1.00 1.25 O ATOM 551 CB ASN A 36 -10.153 15.649 -13.209 1.00 1.34 C ATOM 552 CG ASN A 36 -11.072 14.779 -14.069 1.00 1.34 C ATOM 553 OD1 ASN A 36 -12.291 14.870 -13.957 1.00 1.91 O ATOM 554 ND2 ASN A 36 -10.483 13.908 -14.881 1.00 1.59 N ATOM 0 H ASN A 36 -8.326 16.336 -11.714 1.00 1.14 H new ATOM 0 HA ASN A 36 -10.823 15.052 -11.303 1.00 1.22 H new ATOM 0 HB2 ASN A 36 -10.609 16.626 -13.047 1.00 1.34 H new ATOM 0 HB3 ASN A 36 -9.210 15.820 -13.728 1.00 1.34 H new ATOM 0 HD21 ASN A 36 -11.049 13.276 -15.447 1.00 1.59 H new ATOM 0 HD22 ASN A 36 -9.465 13.872 -14.938 1.00 1.59 H new ATOM 561 N GLU A 37 -8.456 13.126 -12.609 1.00 1.09 N ATOM 562 CA GLU A 37 -7.888 11.784 -12.706 1.00 1.08 C ATOM 563 C GLU A 37 -8.083 10.990 -11.410 1.00 1.00 C ATOM 564 O GLU A 37 -8.573 9.862 -11.391 1.00 1.08 O ATOM 565 CB GLU A 37 -6.376 11.950 -12.987 1.00 1.10 C ATOM 566 CG GLU A 37 -5.937 11.170 -14.216 1.00 0.84 C ATOM 567 CD GLU A 37 -4.486 11.396 -14.598 1.00 0.84 C ATOM 568 OE1 GLU A 37 -3.745 12.231 -14.037 1.00 1.67 O ATOM 569 OE2 GLU A 37 -3.974 10.732 -15.515 1.00 1.88 O ATOM 0 H GLU A 37 -7.880 13.819 -13.086 1.00 1.09 H new ATOM 0 HA GLU A 37 -8.390 11.232 -13.500 1.00 1.08 H new ATOM 0 HB2 GLU A 37 -6.147 13.006 -13.127 1.00 1.10 H new ATOM 0 HB3 GLU A 37 -5.807 11.612 -12.121 1.00 1.10 H new ATOM 0 HG2 GLU A 37 -6.094 10.107 -14.035 1.00 0.84 H new ATOM 0 HG3 GLU A 37 -6.572 11.448 -15.057 1.00 0.84 H new ATOM 576 N PHE A 38 -7.672 11.608 -10.307 1.00 0.89 N ATOM 577 CA PHE A 38 -7.767 11.063 -8.975 1.00 0.88 C ATOM 578 C PHE A 38 -9.232 10.753 -8.663 1.00 0.95 C ATOM 579 O PHE A 38 -9.559 9.600 -8.371 1.00 0.95 O ATOM 580 CB PHE A 38 -7.108 12.050 -8.002 1.00 0.91 C ATOM 581 CG PHE A 38 -7.045 11.618 -6.553 1.00 1.02 C ATOM 582 CD1 PHE A 38 -6.457 10.388 -6.210 1.00 1.62 C ATOM 583 CD2 PHE A 38 -7.439 12.512 -5.540 1.00 2.48 C ATOM 584 CE1 PHE A 38 -6.331 10.025 -4.859 1.00 1.99 C ATOM 585 CE2 PHE A 38 -7.331 12.140 -4.191 1.00 2.84 C ATOM 586 CZ PHE A 38 -6.814 10.880 -3.854 1.00 2.08 C ATOM 0 H PHE A 38 -7.249 12.536 -10.327 1.00 0.89 H new ATOM 0 HA PHE A 38 -7.233 10.118 -8.876 1.00 0.88 H new ATOM 0 HB2 PHE A 38 -6.092 12.244 -8.346 1.00 0.91 H new ATOM 0 HB3 PHE A 38 -7.648 12.995 -8.055 1.00 0.91 H new ATOM 0 HD1 PHE A 38 -6.103 9.723 -6.984 1.00 1.62 H new ATOM 0 HD2 PHE A 38 -7.825 13.486 -5.801 1.00 2.48 H new ATOM 0 HE1 PHE A 38 -5.863 9.089 -4.593 1.00 1.99 H new ATOM 0 HE2 PHE A 38 -7.645 12.822 -3.414 1.00 2.84 H new ATOM 0 HZ PHE A 38 -6.787 10.567 -2.821 1.00 2.08 H new ATOM 596 N LYS A 39 -10.136 11.739 -8.777 1.00 1.02 N ATOM 597 CA LYS A 39 -11.540 11.453 -8.511 1.00 1.06 C ATOM 598 C LYS A 39 -12.101 10.372 -9.444 1.00 1.07 C ATOM 599 O LYS A 39 -12.820 9.489 -8.971 1.00 1.03 O ATOM 600 CB LYS A 39 -12.451 12.690 -8.418 1.00 1.26 C ATOM 601 CG LYS A 39 -13.798 12.216 -7.826 1.00 1.29 C ATOM 602 CD LYS A 39 -14.569 13.230 -6.964 1.00 1.90 C ATOM 603 CE LYS A 39 -15.553 12.410 -6.105 1.00 2.23 C ATOM 604 NZ LYS A 39 -16.366 13.185 -5.143 1.00 3.31 N ATOM 0 H LYS A 39 -9.926 12.701 -9.041 1.00 1.02 H new ATOM 0 HA LYS A 39 -11.548 11.044 -7.501 1.00 1.06 H new ATOM 0 HB2 LYS A 39 -12.000 13.455 -7.786 1.00 1.26 H new ATOM 0 HB3 LYS A 39 -12.598 13.136 -9.402 1.00 1.26 H new ATOM 0 HG2 LYS A 39 -14.443 11.910 -8.650 1.00 1.29 H new ATOM 0 HG3 LYS A 39 -13.610 11.329 -7.221 1.00 1.29 H new ATOM 0 HD2 LYS A 39 -13.888 13.802 -6.335 1.00 1.90 H new ATOM 0 HD3 LYS A 39 -15.102 13.946 -7.590 1.00 1.90 H new ATOM 0 HE2 LYS A 39 -16.227 11.872 -6.772 1.00 2.23 H new ATOM 0 HE3 LYS A 39 -14.986 11.661 -5.552 1.00 2.23 H new ATOM 0 HZ1 LYS A 39 -17.050 12.554 -4.679 1.00 3.31 H new ATOM 0 HZ2 LYS A 39 -15.744 13.609 -4.425 1.00 3.31 H new ATOM 0 HZ3 LYS A 39 -16.876 13.938 -5.647 1.00 3.31 H new ATOM 618 N GLU A 40 -11.784 10.403 -10.741 1.00 1.16 N ATOM 619 CA GLU A 40 -12.190 9.345 -11.656 1.00 1.20 C ATOM 620 C GLU A 40 -11.780 7.983 -11.116 1.00 1.08 C ATOM 621 O GLU A 40 -12.550 7.032 -11.218 1.00 1.08 O ATOM 622 CB GLU A 40 -11.534 9.471 -13.030 1.00 1.25 C ATOM 623 CG GLU A 40 -12.021 10.631 -13.897 1.00 1.33 C ATOM 624 CD GLU A 40 -11.386 10.561 -15.261 1.00 1.61 C ATOM 625 OE1 GLU A 40 -10.930 9.449 -15.615 1.00 2.20 O ATOM 626 OE2 GLU A 40 -11.349 11.592 -15.963 1.00 2.15 O ATOM 0 H GLU A 40 -11.247 11.152 -11.177 1.00 1.16 H new ATOM 0 HA GLU A 40 -13.272 9.441 -11.749 1.00 1.20 H new ATOM 0 HB2 GLU A 40 -10.458 9.574 -12.890 1.00 1.25 H new ATOM 0 HB3 GLU A 40 -11.697 8.541 -13.576 1.00 1.25 H new ATOM 0 HG2 GLU A 40 -13.106 10.594 -13.990 1.00 1.33 H new ATOM 0 HG3 GLU A 40 -11.774 11.580 -13.421 1.00 1.33 H new ATOM 633 N LEU A 41 -10.567 7.869 -10.574 1.00 1.04 N ATOM 634 CA LEU A 41 -10.058 6.579 -10.165 1.00 1.05 C ATOM 635 C LEU A 41 -10.911 6.090 -9.012 1.00 0.99 C ATOM 636 O LEU A 41 -11.372 4.956 -9.038 1.00 1.01 O ATOM 637 CB LEU A 41 -8.564 6.645 -9.831 1.00 1.17 C ATOM 638 CG LEU A 41 -8.013 5.275 -9.380 1.00 1.22 C ATOM 639 CD1 LEU A 41 -6.577 5.102 -9.862 1.00 3.01 C ATOM 640 CD2 LEU A 41 -8.008 5.163 -7.852 1.00 2.08 C ATOM 0 H LEU A 41 -9.932 8.651 -10.413 1.00 1.04 H new ATOM 0 HA LEU A 41 -10.128 5.860 -10.982 1.00 1.05 H new ATOM 0 HB2 LEU A 41 -8.011 6.988 -10.706 1.00 1.17 H new ATOM 0 HB3 LEU A 41 -8.401 7.379 -9.042 1.00 1.17 H new ATOM 0 HG LEU A 41 -8.658 4.507 -9.807 1.00 1.22 H new ATOM 0 HD11 LEU A 41 -6.199 4.132 -9.538 1.00 3.01 H new ATOM 0 HD12 LEU A 41 -6.549 5.157 -10.950 1.00 3.01 H new ATOM 0 HD13 LEU A 41 -5.955 5.893 -9.443 1.00 3.01 H new ATOM 0 HD21 LEU A 41 -7.616 4.189 -7.560 1.00 2.08 H new ATOM 0 HD22 LEU A 41 -7.380 5.948 -7.432 1.00 2.08 H new ATOM 0 HD23 LEU A 41 -9.025 5.272 -7.476 1.00 2.08 H new ATOM 652 N VAL A 42 -11.176 6.934 -8.016 1.00 0.97 N ATOM 653 CA VAL A 42 -11.966 6.458 -6.893 1.00 0.98 C ATOM 654 C VAL A 42 -13.370 6.104 -7.375 1.00 1.01 C ATOM 655 O VAL A 42 -13.828 4.983 -7.180 1.00 1.22 O ATOM 656 CB VAL A 42 -11.942 7.415 -5.692 1.00 0.96 C ATOM 657 CG1 VAL A 42 -10.698 7.139 -4.843 1.00 0.96 C ATOM 658 CG2 VAL A 42 -12.015 8.905 -5.992 1.00 1.15 C ATOM 0 H VAL A 42 -10.870 7.906 -7.965 1.00 0.97 H new ATOM 0 HA VAL A 42 -11.509 5.548 -6.505 1.00 0.98 H new ATOM 0 HB VAL A 42 -12.871 7.197 -5.165 1.00 0.96 H new ATOM 0 HG11 VAL A 42 -10.681 7.818 -3.991 1.00 0.96 H new ATOM 0 HG12 VAL A 42 -10.722 6.109 -4.486 1.00 0.96 H new ATOM 0 HG13 VAL A 42 -9.804 7.293 -5.447 1.00 0.96 H new ATOM 0 HG21 VAL A 42 -11.989 9.466 -5.058 1.00 1.15 H new ATOM 0 HG22 VAL A 42 -11.166 9.193 -6.612 1.00 1.15 H new ATOM 0 HG23 VAL A 42 -12.942 9.125 -6.522 1.00 1.15 H new ATOM 668 N THR A 43 -14.008 7.039 -8.072 1.00 1.03 N ATOM 669 CA THR A 43 -15.333 6.876 -8.645 1.00 1.13 C ATOM 670 C THR A 43 -15.467 5.554 -9.420 1.00 1.10 C ATOM 671 O THR A 43 -16.391 4.780 -9.180 1.00 1.30 O ATOM 672 CB THR A 43 -15.588 8.099 -9.536 1.00 1.19 C ATOM 673 OG1 THR A 43 -15.525 9.271 -8.746 1.00 1.25 O ATOM 674 CG2 THR A 43 -16.951 8.057 -10.230 1.00 1.36 C ATOM 0 H THR A 43 -13.603 7.956 -8.257 1.00 1.03 H new ATOM 0 HA THR A 43 -16.085 6.819 -7.858 1.00 1.13 H new ATOM 0 HB THR A 43 -14.820 8.095 -10.310 1.00 1.19 H new ATOM 0 HG1 THR A 43 -14.600 9.593 -8.711 1.00 1.25 H new ATOM 0 HG21 THR A 43 -17.073 8.948 -10.846 1.00 1.36 H new ATOM 0 HG22 THR A 43 -17.011 7.170 -10.860 1.00 1.36 H new ATOM 0 HG23 THR A 43 -17.741 8.023 -9.479 1.00 1.36 H new ATOM 682 N GLN A 44 -14.564 5.316 -10.373 1.00 0.97 N ATOM 683 CA GLN A 44 -14.627 4.198 -11.303 1.00 1.00 C ATOM 684 C GLN A 44 -14.114 2.917 -10.642 1.00 1.09 C ATOM 685 O GLN A 44 -14.778 1.885 -10.663 1.00 1.21 O ATOM 686 CB GLN A 44 -13.790 4.561 -12.541 1.00 1.16 C ATOM 687 CG GLN A 44 -13.935 3.554 -13.691 1.00 1.38 C ATOM 688 CD GLN A 44 -12.909 3.789 -14.799 1.00 1.70 C ATOM 689 OE1 GLN A 44 -12.340 2.843 -15.329 1.00 1.96 O ATOM 690 NE2 GLN A 44 -12.642 5.044 -15.154 1.00 2.43 N ATOM 0 H GLN A 44 -13.750 5.913 -10.519 1.00 0.97 H new ATOM 0 HA GLN A 44 -15.659 4.011 -11.600 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -14.086 5.549 -12.894 1.00 1.16 H new ATOM 0 HB3 GLN A 44 -12.740 4.626 -12.255 1.00 1.16 H new ATOM 0 HG2 GLN A 44 -13.821 2.542 -13.302 1.00 1.38 H new ATOM 0 HG3 GLN A 44 -14.940 3.624 -14.108 1.00 1.38 H new ATOM 0 HE21 GLN A 44 -13.128 5.817 -14.699 1.00 2.43 H new ATOM 0 HE22 GLN A 44 -11.952 5.233 -15.881 1.00 2.43 H new ATOM 699 N GLN A 45 -12.893 2.978 -10.113 1.00 1.28 N ATOM 700 CA GLN A 45 -12.124 1.826 -9.677 1.00 1.79 C ATOM 701 C GLN A 45 -12.535 1.413 -8.261 1.00 1.52 C ATOM 702 O GLN A 45 -12.630 0.217 -8.000 1.00 2.28 O ATOM 703 CB GLN A 45 -10.629 2.165 -9.802 1.00 2.54 C ATOM 704 CG GLN A 45 -9.647 1.001 -9.666 1.00 3.29 C ATOM 705 CD GLN A 45 -8.226 1.560 -9.704 1.00 4.77 C ATOM 706 OE1 GLN A 45 -7.595 1.763 -8.672 1.00 6.00 O ATOM 707 NE2 GLN A 45 -7.722 1.877 -10.889 1.00 5.20 N ATOM 0 H GLN A 45 -12.401 3.861 -9.974 1.00 1.28 H new ATOM 0 HA GLN A 45 -12.326 0.961 -10.309 1.00 1.79 H new ATOM 0 HB2 GLN A 45 -10.467 2.635 -10.772 1.00 2.54 H new ATOM 0 HB3 GLN A 45 -10.384 2.907 -9.043 1.00 2.54 H new ATOM 0 HG2 GLN A 45 -9.819 0.467 -8.731 1.00 3.29 H new ATOM 0 HG3 GLN A 45 -9.794 0.285 -10.474 1.00 3.29 H new ATOM 0 HE21 GLN A 45 -8.262 1.701 -11.736 1.00 5.20 H new ATOM 0 HE22 GLN A 45 -6.795 2.297 -10.953 1.00 5.20 H new ATOM 716 N LEU A 46 -12.791 2.364 -7.348 1.00 1.49 N ATOM 717 CA LEU A 46 -13.183 2.077 -5.965 1.00 1.21 C ATOM 718 C LEU A 46 -14.608 2.575 -5.674 1.00 1.52 C ATOM 719 O LEU A 46 -14.775 3.490 -4.870 1.00 1.76 O ATOM 720 CB LEU A 46 -12.198 2.702 -4.955 1.00 1.17 C ATOM 721 CG LEU A 46 -10.736 2.223 -4.970 1.00 1.50 C ATOM 722 CD1 LEU A 46 -10.584 0.750 -5.345 1.00 1.76 C ATOM 723 CD2 LEU A 46 -9.864 3.094 -5.876 1.00 2.46 C ATOM 0 H LEU A 46 -12.730 3.361 -7.554 1.00 1.49 H new ATOM 0 HA LEU A 46 -13.158 0.994 -5.848 1.00 1.21 H new ATOM 0 HB2 LEU A 46 -12.196 3.780 -5.116 1.00 1.17 H new ATOM 0 HB3 LEU A 46 -12.594 2.530 -3.954 1.00 1.17 H new ATOM 0 HG LEU A 46 -10.388 2.327 -3.942 1.00 1.50 H new ATOM 0 HD11 LEU A 46 -9.528 0.479 -5.336 1.00 1.76 H new ATOM 0 HD12 LEU A 46 -11.123 0.134 -4.625 1.00 1.76 H new ATOM 0 HD13 LEU A 46 -10.993 0.584 -6.342 1.00 1.76 H new ATOM 0 HD21 LEU A 46 -8.839 2.724 -5.860 1.00 2.46 H new ATOM 0 HD22 LEU A 46 -10.247 3.056 -6.896 1.00 2.46 H new ATOM 0 HD23 LEU A 46 -9.883 4.124 -5.519 1.00 2.46 H new ATOM 735 N PRO A 47 -15.655 1.966 -6.257 1.00 1.74 N ATOM 736 CA PRO A 47 -17.027 2.400 -6.042 1.00 2.10 C ATOM 737 C PRO A 47 -17.474 2.216 -4.588 1.00 1.97 C ATOM 738 O PRO A 47 -18.237 3.033 -4.078 1.00 2.24 O ATOM 739 CB PRO A 47 -17.876 1.568 -7.010 1.00 2.46 C ATOM 740 CG PRO A 47 -17.046 0.302 -7.227 1.00 2.29 C ATOM 741 CD PRO A 47 -15.613 0.831 -7.165 1.00 1.90 C ATOM 0 HA PRO A 47 -17.135 3.468 -6.231 1.00 2.10 H new ATOM 0 HB2 PRO A 47 -18.854 1.338 -6.588 1.00 2.46 H new ATOM 0 HB3 PRO A 47 -18.050 2.098 -7.947 1.00 2.46 H new ATOM 0 HG2 PRO A 47 -17.236 -0.445 -6.456 1.00 2.29 H new ATOM 0 HG3 PRO A 47 -17.264 -0.167 -8.186 1.00 2.29 H new ATOM 0 HD2 PRO A 47 -14.927 0.065 -6.803 1.00 1.90 H new ATOM 0 HD3 PRO A 47 -15.263 1.132 -8.153 1.00 1.90 H new ATOM 749 N HIS A 48 -17.041 1.123 -3.941 1.00 1.80 N ATOM 750 CA HIS A 48 -17.471 0.756 -2.592 1.00 1.78 C ATOM 751 C HIS A 48 -16.308 0.585 -1.611 1.00 1.60 C ATOM 752 O HIS A 48 -16.478 0.852 -0.423 1.00 1.90 O ATOM 753 CB HIS A 48 -18.317 -0.522 -2.653 1.00 2.04 C ATOM 754 CG HIS A 48 -19.596 -0.373 -3.440 1.00 3.72 C ATOM 755 ND1 HIS A 48 -20.074 -1.256 -4.382 1.00 5.09 N ATOM 756 CD2 HIS A 48 -20.531 0.618 -3.288 1.00 4.69 C ATOM 757 CE1 HIS A 48 -21.270 -0.798 -4.793 1.00 6.48 C ATOM 758 NE2 HIS A 48 -21.591 0.339 -4.157 1.00 6.23 N ATOM 0 H HIS A 48 -16.376 0.465 -4.348 1.00 1.80 H new ATOM 0 HA HIS A 48 -18.069 1.583 -2.209 1.00 1.78 H new ATOM 0 HB2 HIS A 48 -17.721 -1.320 -3.096 1.00 2.04 H new ATOM 0 HB3 HIS A 48 -18.561 -0.833 -1.637 1.00 2.04 H new ATOM 0 HD2 HIS A 48 -20.462 1.462 -2.618 1.00 4.69 H new ATOM 0 HE1 HIS A 48 -21.889 -1.281 -5.535 1.00 6.48 H new ATOM 0 HE2 HIS A 48 -22.440 0.891 -4.282 1.00 6.23 H new ATOM 766 N LEU A 49 -15.149 0.094 -2.073 1.00 1.65 N ATOM 767 CA LEU A 49 -14.016 -0.188 -1.201 1.00 1.76 C ATOM 768 C LEU A 49 -13.646 1.057 -0.399 1.00 1.85 C ATOM 769 O LEU A 49 -13.721 1.051 0.828 1.00 2.12 O ATOM 770 CB LEU A 49 -12.838 -0.723 -2.030 1.00 1.91 C ATOM 771 CG LEU A 49 -11.527 -0.862 -1.237 1.00 1.80 C ATOM 772 CD1 LEU A 49 -11.638 -1.715 0.031 1.00 1.18 C ATOM 773 CD2 LEU A 49 -10.447 -1.485 -2.127 1.00 2.23 C ATOM 0 H LEU A 49 -14.978 -0.115 -3.057 1.00 1.65 H new ATOM 0 HA LEU A 49 -14.287 -0.962 -0.483 1.00 1.76 H new ATOM 0 HB2 LEU A 49 -13.108 -1.696 -2.440 1.00 1.91 H new ATOM 0 HB3 LEU A 49 -12.670 -0.057 -2.876 1.00 1.91 H new ATOM 0 HG LEU A 49 -11.272 0.151 -0.925 1.00 1.80 H new ATOM 0 HD11 LEU A 49 -10.668 -1.759 0.526 1.00 1.18 H new ATOM 0 HD12 LEU A 49 -12.370 -1.271 0.705 1.00 1.18 H new ATOM 0 HD13 LEU A 49 -11.955 -2.723 -0.235 1.00 1.18 H new ATOM 0 HD21 LEU A 49 -9.520 -1.581 -1.561 1.00 2.23 H new ATOM 0 HD22 LEU A 49 -10.773 -2.470 -2.460 1.00 2.23 H new ATOM 0 HD23 LEU A 49 -10.278 -0.847 -2.994 1.00 2.23 H new ATOM 785 N LEU A 50 -13.296 2.137 -1.099 1.00 1.76 N ATOM 786 CA LEU A 50 -13.495 3.463 -0.550 1.00 1.68 C ATOM 787 C LEU A 50 -14.992 3.720 -0.659 1.00 1.82 C ATOM 788 O LEU A 50 -15.569 3.590 -1.736 1.00 2.91 O ATOM 789 CB LEU A 50 -12.669 4.511 -1.306 1.00 1.53 C ATOM 790 CG LEU A 50 -11.209 4.483 -0.822 1.00 1.52 C ATOM 791 CD1 LEU A 50 -10.285 5.075 -1.886 1.00 1.68 C ATOM 792 CD2 LEU A 50 -11.032 5.281 0.477 1.00 1.58 C ATOM 0 H LEU A 50 -12.881 2.114 -2.030 1.00 1.76 H new ATOM 0 HA LEU A 50 -13.158 3.532 0.484 1.00 1.68 H new ATOM 0 HB2 LEU A 50 -12.709 4.313 -2.377 1.00 1.53 H new ATOM 0 HB3 LEU A 50 -13.093 5.503 -1.149 1.00 1.53 H new ATOM 0 HG LEU A 50 -10.951 3.440 -0.637 1.00 1.52 H new ATOM 0 HD11 LEU A 50 -9.255 5.048 -1.529 1.00 1.68 H new ATOM 0 HD12 LEU A 50 -10.366 4.492 -2.804 1.00 1.68 H new ATOM 0 HD13 LEU A 50 -10.574 6.107 -2.085 1.00 1.68 H new ATOM 0 HD21 LEU A 50 -9.989 5.240 0.790 1.00 1.58 H new ATOM 0 HD22 LEU A 50 -11.320 6.319 0.309 1.00 1.58 H new ATOM 0 HD23 LEU A 50 -11.662 4.852 1.256 1.00 1.58 H new ATOM 804 N LYS A 51 -15.608 4.034 0.473 1.00 1.58 N ATOM 805 CA LYS A 51 -17.037 4.240 0.625 1.00 1.96 C ATOM 806 C LYS A 51 -17.344 5.733 0.712 1.00 1.87 C ATOM 807 O LYS A 51 -18.507 6.131 0.698 1.00 2.65 O ATOM 808 CB LYS A 51 -17.555 3.478 1.856 1.00 2.53 C ATOM 809 CG LYS A 51 -16.673 3.483 3.124 1.00 3.32 C ATOM 810 CD LYS A 51 -15.525 2.452 3.062 1.00 5.17 C ATOM 811 CE LYS A 51 -15.065 1.947 4.434 1.00 6.65 C ATOM 812 NZ LYS A 51 -14.310 2.977 5.175 1.00 7.86 N ATOM 0 H LYS A 51 -15.099 4.157 1.348 1.00 1.58 H new ATOM 0 HA LYS A 51 -17.555 3.845 -0.249 1.00 1.96 H new ATOM 0 HB2 LYS A 51 -18.528 3.891 2.122 1.00 2.53 H new ATOM 0 HB3 LYS A 51 -17.718 2.440 1.565 1.00 2.53 H new ATOM 0 HG2 LYS A 51 -16.253 4.479 3.264 1.00 3.32 H new ATOM 0 HG3 LYS A 51 -17.295 3.274 3.994 1.00 3.32 H new ATOM 0 HD2 LYS A 51 -15.847 1.601 2.462 1.00 5.17 H new ATOM 0 HD3 LYS A 51 -14.675 2.901 2.548 1.00 5.17 H new ATOM 0 HE2 LYS A 51 -15.933 1.642 5.019 1.00 6.65 H new ATOM 0 HE3 LYS A 51 -14.441 1.062 4.305 1.00 6.65 H new ATOM 0 HZ1 LYS A 51 -13.751 2.525 5.927 1.00 7.86 H new ATOM 0 HZ2 LYS A 51 -13.672 3.477 4.523 1.00 7.86 H new ATOM 0 HZ3 LYS A 51 -14.974 3.656 5.598 1.00 7.86 H new ATOM 826 N ASP A 52 -16.292 6.553 0.791 1.00 2.62 N ATOM 827 CA ASP A 52 -16.367 7.981 0.668 1.00 2.54 C ATOM 828 C ASP A 52 -15.701 8.292 -0.657 1.00 2.40 C ATOM 829 O ASP A 52 -14.497 8.539 -0.729 1.00 3.08 O ATOM 830 CB ASP A 52 -15.654 8.682 1.819 1.00 2.83 C ATOM 831 CG ASP A 52 -15.525 10.171 1.495 1.00 3.30 C ATOM 832 OD1 ASP A 52 -16.365 10.682 0.717 1.00 3.52 O ATOM 833 OD2 ASP A 52 -14.554 10.771 2.002 1.00 4.46 O ATOM 0 H ASP A 52 -15.343 6.214 0.947 1.00 2.62 H new ATOM 0 HA ASP A 52 -17.397 8.335 0.704 1.00 2.54 H new ATOM 0 HB2 ASP A 52 -16.212 8.546 2.746 1.00 2.83 H new ATOM 0 HB3 ASP A 52 -14.668 8.244 1.973 1.00 2.83 H new ATOM 838 N VAL A 53 -16.514 8.258 -1.705 1.00 1.80 N ATOM 839 CA VAL A 53 -16.164 8.890 -2.960 1.00 1.54 C ATOM 840 C VAL A 53 -16.846 10.265 -3.031 1.00 1.67 C ATOM 841 O VAL A 53 -17.035 10.828 -4.112 1.00 1.80 O ATOM 842 CB VAL A 53 -16.482 7.936 -4.122 1.00 1.49 C ATOM 843 CG1 VAL A 53 -15.760 6.593 -3.936 1.00 2.44 C ATOM 844 CG2 VAL A 53 -17.983 7.681 -4.310 1.00 1.93 C ATOM 0 H VAL A 53 -17.423 7.796 -1.705 1.00 1.80 H new ATOM 0 HA VAL A 53 -15.094 9.085 -3.037 1.00 1.54 H new ATOM 0 HB VAL A 53 -16.123 8.436 -5.021 1.00 1.49 H new ATOM 0 HG11 VAL A 53 -15.999 5.933 -4.770 1.00 2.44 H new ATOM 0 HG12 VAL A 53 -14.683 6.760 -3.903 1.00 2.44 H new ATOM 0 HG13 VAL A 53 -16.084 6.132 -3.003 1.00 2.44 H new ATOM 0 HG21 VAL A 53 -18.134 6.999 -5.147 1.00 1.93 H new ATOM 0 HG22 VAL A 53 -18.393 7.238 -3.402 1.00 1.93 H new ATOM 0 HG23 VAL A 53 -18.490 8.624 -4.514 1.00 1.93 H new ATOM 854 N GLY A 54 -17.203 10.842 -1.879 1.00 2.12 N ATOM 855 CA GLY A 54 -17.780 12.165 -1.792 1.00 2.28 C ATOM 856 C GLY A 54 -16.640 13.141 -1.559 1.00 2.05 C ATOM 857 O GLY A 54 -16.199 13.811 -2.503 1.00 2.02 O ATOM 0 H GLY A 54 -17.093 10.386 -0.973 1.00 2.12 H new ATOM 0 HA2 GLY A 54 -18.316 12.412 -2.709 1.00 2.28 H new ATOM 0 HA3 GLY A 54 -18.502 12.216 -0.977 1.00 2.28 H new ATOM 861 N SER A 55 -16.146 13.157 -0.320 1.00 2.01 N ATOM 862 CA SER A 55 -15.179 14.108 0.206 1.00 1.85 C ATOM 863 C SER A 55 -13.770 13.731 -0.251 1.00 1.62 C ATOM 864 O SER A 55 -12.878 13.424 0.539 1.00 1.69 O ATOM 865 CB SER A 55 -15.319 14.167 1.730 1.00 2.03 C ATOM 866 OG SER A 55 -16.661 14.468 2.068 1.00 2.35 O ATOM 0 H SER A 55 -16.428 12.468 0.377 1.00 2.01 H new ATOM 0 HA SER A 55 -15.371 15.108 -0.182 1.00 1.85 H new ATOM 0 HB2 SER A 55 -15.027 13.214 2.170 1.00 2.03 H new ATOM 0 HB3 SER A 55 -14.651 14.925 2.139 1.00 2.03 H new ATOM 0 HG SER A 55 -16.752 14.504 3.043 1.00 2.35 H new ATOM 872 N LEU A 56 -13.589 13.742 -1.569 1.00 1.48 N ATOM 873 CA LEU A 56 -12.350 13.463 -2.252 1.00 1.31 C ATOM 874 C LEU A 56 -11.382 14.632 -2.044 1.00 1.24 C ATOM 875 O LEU A 56 -10.174 14.437 -2.003 1.00 1.18 O ATOM 876 CB LEU A 56 -12.729 13.198 -3.715 1.00 1.29 C ATOM 877 CG LEU A 56 -11.612 12.720 -4.651 1.00 1.16 C ATOM 878 CD1 LEU A 56 -10.839 13.900 -5.246 1.00 1.10 C ATOM 879 CD2 LEU A 56 -10.682 11.718 -3.970 1.00 1.19 C ATOM 0 H LEU A 56 -14.349 13.958 -2.214 1.00 1.48 H new ATOM 0 HA LEU A 56 -11.822 12.590 -1.869 1.00 1.31 H new ATOM 0 HB2 LEU A 56 -13.524 12.452 -3.729 1.00 1.29 H new ATOM 0 HB3 LEU A 56 -13.146 14.116 -4.128 1.00 1.29 H new ATOM 0 HG LEU A 56 -12.089 12.192 -5.477 1.00 1.16 H new ATOM 0 HD11 LEU A 56 -10.055 13.526 -5.904 1.00 1.10 H new ATOM 0 HD12 LEU A 56 -11.521 14.531 -5.816 1.00 1.10 H new ATOM 0 HD13 LEU A 56 -10.390 14.483 -4.442 1.00 1.10 H new ATOM 0 HD21 LEU A 56 -9.907 11.407 -4.670 1.00 1.19 H new ATOM 0 HD22 LEU A 56 -10.219 12.184 -3.100 1.00 1.19 H new ATOM 0 HD23 LEU A 56 -11.255 10.847 -3.653 1.00 1.19 H new ATOM 891 N ASP A 57 -11.907 15.845 -1.876 1.00 1.44 N ATOM 892 CA ASP A 57 -11.165 17.062 -1.563 1.00 1.59 C ATOM 893 C ASP A 57 -10.274 16.911 -0.320 1.00 1.54 C ATOM 894 O ASP A 57 -9.051 16.976 -0.440 1.00 1.43 O ATOM 895 CB ASP A 57 -12.183 18.198 -1.375 1.00 1.98 C ATOM 896 CG ASP A 57 -13.354 17.718 -0.530 1.00 3.31 C ATOM 897 OD1 ASP A 57 -14.223 17.050 -1.132 1.00 3.75 O ATOM 898 OD2 ASP A 57 -13.262 17.868 0.704 1.00 4.67 O ATOM 0 H ASP A 57 -12.910 16.012 -1.959 1.00 1.44 H new ATOM 0 HA ASP A 57 -10.486 17.284 -2.386 1.00 1.59 H new ATOM 0 HB2 ASP A 57 -11.703 19.051 -0.894 1.00 1.98 H new ATOM 0 HB3 ASP A 57 -12.541 18.540 -2.346 1.00 1.98 H new ATOM 903 N GLU A 58 -10.827 16.679 0.875 1.00 1.74 N ATOM 904 CA GLU A 58 -9.993 16.485 2.059 1.00 1.82 C ATOM 905 C GLU A 58 -9.028 15.310 1.866 1.00 1.54 C ATOM 906 O GLU A 58 -7.890 15.360 2.337 1.00 1.55 O ATOM 907 CB GLU A 58 -10.824 16.352 3.342 1.00 2.30 C ATOM 908 CG GLU A 58 -12.069 15.479 3.179 1.00 1.70 C ATOM 909 CD GLU A 58 -12.526 14.909 4.513 1.00 2.08 C ATOM 910 OE1 GLU A 58 -12.682 15.706 5.459 1.00 3.03 O ATOM 911 OE2 GLU A 58 -12.679 13.666 4.563 1.00 2.43 O ATOM 0 H GLU A 58 -11.831 16.622 1.044 1.00 1.74 H new ATOM 0 HA GLU A 58 -9.390 17.385 2.184 1.00 1.82 H new ATOM 0 HB2 GLU A 58 -10.197 15.932 4.129 1.00 2.30 H new ATOM 0 HB3 GLU A 58 -11.128 17.345 3.672 1.00 2.30 H new ATOM 0 HG2 GLU A 58 -12.873 16.068 2.739 1.00 1.70 H new ATOM 0 HG3 GLU A 58 -11.856 14.664 2.487 1.00 1.70 H new ATOM 918 N LYS A 59 -9.450 14.274 1.133 1.00 1.35 N ATOM 919 CA LYS A 59 -8.559 13.187 0.752 1.00 1.15 C ATOM 920 C LYS A 59 -7.359 13.779 -0.001 1.00 1.14 C ATOM 921 O LYS A 59 -6.230 13.601 0.440 1.00 1.14 O ATOM 922 CB LYS A 59 -9.290 12.097 -0.061 1.00 1.11 C ATOM 923 CG LYS A 59 -9.498 10.754 0.667 1.00 1.34 C ATOM 924 CD LYS A 59 -10.868 10.599 1.349 1.00 1.35 C ATOM 925 CE LYS A 59 -11.059 11.590 2.505 1.00 1.91 C ATOM 926 NZ LYS A 59 -12.391 11.484 3.130 1.00 2.58 N ATOM 0 H LYS A 59 -10.406 14.171 0.794 1.00 1.35 H new ATOM 0 HA LYS A 59 -8.199 12.682 1.648 1.00 1.15 H new ATOM 0 HB2 LYS A 59 -10.265 12.483 -0.360 1.00 1.11 H new ATOM 0 HB3 LYS A 59 -8.727 11.911 -0.976 1.00 1.11 H new ATOM 0 HG2 LYS A 59 -9.371 9.944 -0.051 1.00 1.34 H new ATOM 0 HG3 LYS A 59 -8.718 10.639 1.419 1.00 1.34 H new ATOM 0 HD2 LYS A 59 -11.657 10.748 0.612 1.00 1.35 H new ATOM 0 HD3 LYS A 59 -10.971 9.581 1.725 1.00 1.35 H new ATOM 0 HE2 LYS A 59 -10.293 11.414 3.260 1.00 1.91 H new ATOM 0 HE3 LYS A 59 -10.915 12.605 2.136 1.00 1.91 H new ATOM 0 HZ1 LYS A 59 -12.680 12.416 3.490 1.00 2.58 H new ATOM 0 HZ2 LYS A 59 -13.081 11.156 2.424 1.00 2.58 H new ATOM 0 HZ3 LYS A 59 -12.352 10.805 3.917 1.00 2.58 H new ATOM 940 N MET A 60 -7.580 14.518 -1.093 1.00 1.20 N ATOM 941 CA MET A 60 -6.527 15.192 -1.846 1.00 1.28 C ATOM 942 C MET A 60 -5.598 15.937 -0.892 1.00 1.30 C ATOM 943 O MET A 60 -4.388 15.753 -0.961 1.00 1.27 O ATOM 944 CB MET A 60 -7.128 16.112 -2.928 1.00 1.45 C ATOM 945 CG MET A 60 -6.091 16.948 -3.696 1.00 1.63 C ATOM 946 SD MET A 60 -5.438 18.435 -2.866 1.00 2.15 S ATOM 947 CE MET A 60 -4.368 19.060 -4.180 1.00 1.99 C ATOM 0 H MET A 60 -8.512 14.665 -1.481 1.00 1.20 H new ATOM 0 HA MET A 60 -5.927 14.448 -2.371 1.00 1.28 H new ATOM 0 HB2 MET A 60 -7.684 15.501 -3.639 1.00 1.45 H new ATOM 0 HB3 MET A 60 -7.844 16.786 -2.458 1.00 1.45 H new ATOM 0 HG2 MET A 60 -5.249 16.300 -3.940 1.00 1.63 H new ATOM 0 HG3 MET A 60 -6.539 17.258 -4.640 1.00 1.63 H new ATOM 0 HE1 MET A 60 -3.949 20.021 -3.882 1.00 1.99 H new ATOM 0 HE2 MET A 60 -3.559 18.352 -4.358 1.00 1.99 H new ATOM 0 HE3 MET A 60 -4.949 19.185 -5.094 1.00 1.99 H new ATOM 957 N LYS A 61 -6.149 16.748 0.012 1.00 1.39 N ATOM 958 CA LYS A 61 -5.322 17.494 0.955 1.00 1.48 C ATOM 959 C LYS A 61 -4.489 16.547 1.833 1.00 1.37 C ATOM 960 O LYS A 61 -3.336 16.842 2.130 1.00 1.43 O ATOM 961 CB LYS A 61 -6.167 18.462 1.801 1.00 1.70 C ATOM 962 CG LYS A 61 -6.530 19.759 1.057 1.00 1.85 C ATOM 963 CD LYS A 61 -7.666 19.576 0.039 1.00 1.67 C ATOM 964 CE LYS A 61 -7.965 20.834 -0.784 1.00 2.12 C ATOM 965 NZ LYS A 61 -6.873 21.146 -1.728 1.00 3.85 N ATOM 0 H LYS A 61 -7.152 16.903 0.109 1.00 1.39 H new ATOM 0 HA LYS A 61 -4.624 18.100 0.377 1.00 1.48 H new ATOM 0 HB2 LYS A 61 -7.084 17.959 2.110 1.00 1.70 H new ATOM 0 HB3 LYS A 61 -5.620 18.713 2.710 1.00 1.70 H new ATOM 0 HG2 LYS A 61 -6.821 20.518 1.784 1.00 1.85 H new ATOM 0 HG3 LYS A 61 -5.646 20.134 0.541 1.00 1.85 H new ATOM 0 HD2 LYS A 61 -7.407 18.762 -0.639 1.00 1.67 H new ATOM 0 HD3 LYS A 61 -8.570 19.275 0.568 1.00 1.67 H new ATOM 0 HE2 LYS A 61 -8.894 20.694 -1.337 1.00 2.12 H new ATOM 0 HE3 LYS A 61 -8.118 21.679 -0.113 1.00 2.12 H new ATOM 0 HZ1 LYS A 61 -7.266 21.607 -2.573 1.00 3.85 H new ATOM 0 HZ2 LYS A 61 -6.191 21.784 -1.271 1.00 3.85 H new ATOM 0 HZ3 LYS A 61 -6.392 20.267 -2.006 1.00 3.85 H new ATOM 979 N SER A 62 -5.062 15.414 2.245 1.00 1.29 N ATOM 980 CA SER A 62 -4.362 14.431 3.062 1.00 1.28 C ATOM 981 C SER A 62 -3.242 13.730 2.282 1.00 1.16 C ATOM 982 O SER A 62 -2.137 13.569 2.794 1.00 1.25 O ATOM 983 CB SER A 62 -5.362 13.413 3.621 1.00 1.32 C ATOM 984 OG SER A 62 -6.412 14.069 4.304 1.00 1.73 O ATOM 0 H SER A 62 -6.023 15.156 2.020 1.00 1.29 H new ATOM 0 HA SER A 62 -3.888 14.957 3.891 1.00 1.28 H new ATOM 0 HB2 SER A 62 -5.770 12.812 2.808 1.00 1.32 H new ATOM 0 HB3 SER A 62 -4.852 12.729 4.299 1.00 1.32 H new ATOM 0 HG SER A 62 -6.982 14.535 3.657 1.00 1.73 H new ATOM 990 N LEU A 63 -3.530 13.259 1.064 1.00 1.04 N ATOM 991 CA LEU A 63 -2.572 12.504 0.266 1.00 1.00 C ATOM 992 C LEU A 63 -1.490 13.418 -0.305 1.00 0.93 C ATOM 993 O LEU A 63 -0.306 13.081 -0.267 1.00 0.96 O ATOM 994 CB LEU A 63 -3.259 11.775 -0.898 1.00 1.02 C ATOM 995 CG LEU A 63 -4.066 10.529 -0.497 1.00 1.19 C ATOM 996 CD1 LEU A 63 -5.516 10.846 -0.149 1.00 1.91 C ATOM 997 CD2 LEU A 63 -4.058 9.538 -1.664 1.00 1.20 C ATOM 0 H LEU A 63 -4.433 13.393 0.609 1.00 1.04 H new ATOM 0 HA LEU A 63 -2.119 11.771 0.934 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.925 12.474 -1.403 1.00 1.02 H new ATOM 0 HB3 LEU A 63 -2.499 11.480 -1.622 1.00 1.02 H new ATOM 0 HG LEU A 63 -3.594 10.113 0.393 1.00 1.19 H new ATOM 0 HD11 LEU A 63 -6.034 9.927 0.126 1.00 1.91 H new ATOM 0 HD12 LEU A 63 -5.545 11.543 0.689 1.00 1.91 H new ATOM 0 HD13 LEU A 63 -6.007 11.295 -1.012 1.00 1.91 H new ATOM 0 HD21 LEU A 63 -4.628 8.650 -1.391 1.00 1.20 H new ATOM 0 HD22 LEU A 63 -4.510 10.004 -2.540 1.00 1.20 H new ATOM 0 HD23 LEU A 63 -3.031 9.254 -1.893 1.00 1.20 H new ATOM 1009 N ASP A 64 -1.903 14.531 -0.915 1.00 0.91 N ATOM 1010 CA ASP A 64 -1.031 15.383 -1.703 1.00 0.88 C ATOM 1011 C ASP A 64 -0.139 16.209 -0.782 1.00 1.15 C ATOM 1012 O ASP A 64 -0.414 17.381 -0.532 1.00 1.30 O ATOM 1013 CB ASP A 64 -1.846 16.260 -2.664 1.00 0.88 C ATOM 1014 CG ASP A 64 -0.932 16.648 -3.799 1.00 1.06 C ATOM 1015 OD1 ASP A 64 -0.137 17.603 -3.693 1.00 1.34 O ATOM 1016 OD2 ASP A 64 -0.793 15.858 -4.750 1.00 2.42 O ATOM 0 H ASP A 64 -2.866 14.864 -0.871 1.00 0.91 H new ATOM 0 HA ASP A 64 -0.383 14.760 -2.320 1.00 0.88 H new ATOM 0 HB2 ASP A 64 -2.714 15.717 -3.038 1.00 0.88 H new ATOM 0 HB3 ASP A 64 -2.221 17.146 -2.152 1.00 0.88 H new ATOM 1021 N VAL A 65 0.916 15.588 -0.251 1.00 1.33 N ATOM 1022 CA VAL A 65 1.757 16.154 0.798 1.00 1.65 C ATOM 1023 C VAL A 65 2.188 17.601 0.520 1.00 1.54 C ATOM 1024 O VAL A 65 2.281 18.396 1.451 1.00 1.69 O ATOM 1025 CB VAL A 65 2.966 15.245 1.094 1.00 1.96 C ATOM 1026 CG1 VAL A 65 2.529 13.816 1.444 1.00 2.35 C ATOM 1027 CG2 VAL A 65 3.982 15.202 -0.057 1.00 2.16 C ATOM 0 H VAL A 65 1.213 14.658 -0.547 1.00 1.33 H new ATOM 0 HA VAL A 65 1.138 16.199 1.694 1.00 1.65 H new ATOM 0 HB VAL A 65 3.459 15.692 1.957 1.00 1.96 H new ATOM 0 HG11 VAL A 65 3.409 13.206 1.646 1.00 2.35 H new ATOM 0 HG12 VAL A 65 1.891 13.837 2.328 1.00 2.35 H new ATOM 0 HG13 VAL A 65 1.976 13.389 0.607 1.00 2.35 H new ATOM 0 HG21 VAL A 65 4.809 14.546 0.212 1.00 2.16 H new ATOM 0 HG22 VAL A 65 3.497 14.824 -0.957 1.00 2.16 H new ATOM 0 HG23 VAL A 65 4.362 16.206 -0.245 1.00 2.16 H new ATOM 1037 N ASN A 66 2.474 17.940 -0.744 1.00 1.36 N ATOM 1038 CA ASN A 66 2.904 19.283 -1.134 1.00 1.33 C ATOM 1039 C ASN A 66 1.751 20.160 -1.640 1.00 1.27 C ATOM 1040 O ASN A 66 1.954 21.353 -1.849 1.00 1.43 O ATOM 1041 CB ASN A 66 4.042 19.208 -2.159 1.00 1.40 C ATOM 1042 CG ASN A 66 3.592 18.673 -3.514 1.00 1.56 C ATOM 1043 OD1 ASN A 66 2.705 17.826 -3.608 1.00 1.23 O ATOM 1044 ND2 ASN A 66 4.207 19.129 -4.597 1.00 2.78 N ATOM 0 H ASN A 66 2.412 17.286 -1.525 1.00 1.36 H new ATOM 0 HA ASN A 66 3.277 19.770 -0.233 1.00 1.33 H new ATOM 0 HB2 ASN A 66 4.470 20.202 -2.291 1.00 1.40 H new ATOM 0 HB3 ASN A 66 4.834 18.569 -1.768 1.00 1.40 H new ATOM 0 HD21 ASN A 66 3.946 18.777 -5.518 1.00 2.78 H new ATOM 0 HD22 ASN A 66 4.941 19.831 -4.509 1.00 2.78 H new ATOM 1051 N GLN A 67 0.559 19.594 -1.839 1.00 1.17 N ATOM 1052 CA GLN A 67 -0.644 20.273 -2.299 1.00 1.19 C ATOM 1053 C GLN A 67 -0.394 21.021 -3.611 1.00 1.16 C ATOM 1054 O GLN A 67 -0.668 22.213 -3.726 1.00 1.28 O ATOM 1055 CB GLN A 67 -1.251 21.134 -1.181 1.00 1.37 C ATOM 1056 CG GLN A 67 -2.724 21.425 -1.506 1.00 1.76 C ATOM 1057 CD GLN A 67 -3.490 22.173 -0.423 1.00 2.02 C ATOM 1058 OE1 GLN A 67 -4.719 22.208 -0.476 1.00 2.40 O ATOM 1059 NE2 GLN A 67 -2.814 22.759 0.558 1.00 3.04 N ATOM 0 H GLN A 67 0.404 18.599 -1.674 1.00 1.17 H new ATOM 0 HA GLN A 67 -1.403 19.528 -2.538 1.00 1.19 H new ATOM 0 HB2 GLN A 67 -1.173 20.616 -0.225 1.00 1.37 H new ATOM 0 HB3 GLN A 67 -0.697 22.068 -1.084 1.00 1.37 H new ATOM 0 HG2 GLN A 67 -2.769 22.006 -2.427 1.00 1.76 H new ATOM 0 HG3 GLN A 67 -3.231 20.480 -1.700 1.00 1.76 H new ATOM 0 HE21 GLN A 67 -1.795 22.712 0.574 1.00 3.04 H new ATOM 0 HE22 GLN A 67 -3.313 23.256 1.296 1.00 3.04 H new ATOM 1068 N ASP A 68 0.096 20.290 -4.613 1.00 1.14 N ATOM 1069 CA ASP A 68 0.299 20.807 -5.970 1.00 1.20 C ATOM 1070 C ASP A 68 -0.985 20.644 -6.798 1.00 1.35 C ATOM 1071 O ASP A 68 -1.386 21.567 -7.504 1.00 2.09 O ATOM 1072 CB ASP A 68 1.539 20.165 -6.634 1.00 1.33 C ATOM 1073 CG ASP A 68 1.557 18.655 -6.530 1.00 1.26 C ATOM 1074 OD1 ASP A 68 0.482 18.065 -6.330 1.00 1.23 O ATOM 1075 OD2 ASP A 68 2.613 18.003 -6.387 1.00 1.35 O ATOM 0 H ASP A 68 0.366 19.312 -4.506 1.00 1.14 H new ATOM 0 HA ASP A 68 0.509 21.875 -5.918 1.00 1.20 H new ATOM 0 HB2 ASP A 68 1.569 20.451 -7.686 1.00 1.33 H new ATOM 0 HB3 ASP A 68 2.440 20.565 -6.169 1.00 1.33 H new ATOM 1080 N SER A 69 -1.638 19.483 -6.675 1.00 1.09 N ATOM 1081 CA SER A 69 -2.771 18.950 -7.441 1.00 1.15 C ATOM 1082 C SER A 69 -2.344 17.901 -8.481 1.00 1.15 C ATOM 1083 O SER A 69 -3.154 17.523 -9.329 1.00 1.28 O ATOM 1084 CB SER A 69 -3.669 20.031 -8.062 1.00 1.33 C ATOM 1085 OG SER A 69 -4.001 21.014 -7.100 1.00 1.66 O ATOM 0 H SER A 69 -1.353 18.819 -5.955 1.00 1.09 H new ATOM 0 HA SER A 69 -3.387 18.440 -6.700 1.00 1.15 H new ATOM 0 HB2 SER A 69 -3.158 20.497 -8.904 1.00 1.33 H new ATOM 0 HB3 SER A 69 -4.579 19.575 -8.453 1.00 1.33 H new ATOM 0 HG SER A 69 -3.261 21.651 -7.015 1.00 1.66 H new ATOM 1091 N GLU A 70 -1.110 17.398 -8.378 1.00 1.09 N ATOM 1092 CA GLU A 70 -0.627 16.177 -8.992 1.00 1.11 C ATOM 1093 C GLU A 70 -0.352 15.220 -7.836 1.00 0.97 C ATOM 1094 O GLU A 70 0.617 15.404 -7.090 1.00 0.97 O ATOM 1095 CB GLU A 70 0.680 16.415 -9.770 1.00 1.28 C ATOM 1096 CG GLU A 70 0.473 16.953 -11.192 1.00 1.63 C ATOM 1097 CD GLU A 70 1.752 16.801 -12.014 1.00 2.24 C ATOM 1098 OE1 GLU A 70 2.598 17.717 -11.957 1.00 2.72 O ATOM 1099 OE2 GLU A 70 1.884 15.736 -12.659 1.00 3.25 O ATOM 0 H GLU A 70 -0.387 17.866 -7.831 1.00 1.09 H new ATOM 0 HA GLU A 70 -1.358 15.789 -9.702 1.00 1.11 H new ATOM 0 HB2 GLU A 70 1.299 17.119 -9.213 1.00 1.28 H new ATOM 0 HB3 GLU A 70 1.234 15.478 -9.825 1.00 1.28 H new ATOM 0 HG2 GLU A 70 -0.343 16.415 -11.675 1.00 1.63 H new ATOM 0 HG3 GLU A 70 0.183 18.003 -11.151 1.00 1.63 H new ATOM 1106 N LEU A 71 -1.155 14.164 -7.730 1.00 0.94 N ATOM 1107 CA LEU A 71 -0.980 13.107 -6.758 1.00 0.92 C ATOM 1108 C LEU A 71 0.109 12.238 -7.373 1.00 0.91 C ATOM 1109 O LEU A 71 -0.163 11.361 -8.196 1.00 0.95 O ATOM 1110 CB LEU A 71 -2.289 12.308 -6.593 1.00 0.94 C ATOM 1111 CG LEU A 71 -3.421 12.956 -5.774 1.00 0.98 C ATOM 1112 CD1 LEU A 71 -3.117 12.937 -4.272 1.00 0.97 C ATOM 1113 CD2 LEU A 71 -3.795 14.366 -6.241 1.00 1.08 C ATOM 0 H LEU A 71 -1.963 14.024 -8.336 1.00 0.94 H new ATOM 0 HA LEU A 71 -0.719 13.474 -5.765 1.00 0.92 H new ATOM 0 HB2 LEU A 71 -2.677 12.089 -7.588 1.00 0.94 H new ATOM 0 HB3 LEU A 71 -2.043 11.353 -6.129 1.00 0.94 H new ATOM 0 HG LEU A 71 -4.298 12.335 -5.957 1.00 0.98 H new ATOM 0 HD11 LEU A 71 -3.939 13.403 -3.728 1.00 0.97 H new ATOM 0 HD12 LEU A 71 -2.999 11.906 -3.938 1.00 0.97 H new ATOM 0 HD13 LEU A 71 -2.196 13.488 -4.080 1.00 0.97 H new ATOM 0 HD21 LEU A 71 -4.599 14.755 -5.616 1.00 1.08 H new ATOM 0 HD22 LEU A 71 -2.925 15.018 -6.162 1.00 1.08 H new ATOM 0 HD23 LEU A 71 -4.128 14.329 -7.278 1.00 1.08 H new ATOM 1125 N LYS A 72 1.361 12.566 -7.045 1.00 0.92 N ATOM 1126 CA LYS A 72 2.543 11.897 -7.551 1.00 0.91 C ATOM 1127 C LYS A 72 2.620 10.510 -6.915 1.00 0.74 C ATOM 1128 O LYS A 72 1.994 10.271 -5.885 1.00 0.71 O ATOM 1129 CB LYS A 72 3.745 12.792 -7.220 1.00 1.20 C ATOM 1130 CG LYS A 72 5.046 12.500 -7.975 1.00 1.17 C ATOM 1131 CD LYS A 72 5.925 13.764 -8.015 1.00 1.44 C ATOM 1132 CE LYS A 72 6.199 14.361 -6.621 1.00 2.62 C ATOM 1133 NZ LYS A 72 6.933 15.643 -6.694 1.00 3.37 N ATOM 0 H LYS A 72 1.577 13.327 -6.401 1.00 0.92 H new ATOM 0 HA LYS A 72 2.523 11.746 -8.630 1.00 0.91 H new ATOM 0 HB2 LYS A 72 3.463 13.827 -7.414 1.00 1.20 H new ATOM 0 HB3 LYS A 72 3.946 12.712 -6.152 1.00 1.20 H new ATOM 0 HG2 LYS A 72 5.585 11.687 -7.488 1.00 1.17 H new ATOM 0 HG3 LYS A 72 4.822 12.170 -8.989 1.00 1.17 H new ATOM 0 HD2 LYS A 72 6.875 13.523 -8.492 1.00 1.44 H new ATOM 0 HD3 LYS A 72 5.439 14.517 -8.636 1.00 1.44 H new ATOM 0 HE2 LYS A 72 5.253 14.516 -6.102 1.00 2.62 H new ATOM 0 HE3 LYS A 72 6.774 13.649 -6.030 1.00 2.62 H new ATOM 0 HZ1 LYS A 72 7.094 16.006 -5.733 1.00 3.37 H new ATOM 0 HZ2 LYS A 72 7.848 15.493 -7.165 1.00 3.37 H new ATOM 0 HZ3 LYS A 72 6.374 16.333 -7.235 1.00 3.37 H new ATOM 1147 N PHE A 73 3.377 9.599 -7.529 1.00 0.74 N ATOM 1148 CA PHE A 73 3.376 8.171 -7.214 1.00 0.70 C ATOM 1149 C PHE A 73 3.289 7.889 -5.703 1.00 0.65 C ATOM 1150 O PHE A 73 2.325 7.289 -5.236 1.00 0.70 O ATOM 1151 CB PHE A 73 4.609 7.521 -7.866 1.00 0.78 C ATOM 1152 CG PHE A 73 4.472 6.043 -8.170 1.00 1.80 C ATOM 1153 CD1 PHE A 73 4.589 5.088 -7.142 1.00 3.31 C ATOM 1154 CD2 PHE A 73 4.308 5.617 -9.504 1.00 3.01 C ATOM 1155 CE1 PHE A 73 4.594 3.718 -7.454 1.00 4.75 C ATOM 1156 CE2 PHE A 73 4.328 4.248 -9.814 1.00 4.43 C ATOM 1157 CZ PHE A 73 4.511 3.301 -8.793 1.00 5.03 C ATOM 0 H PHE A 73 4.025 9.841 -8.279 1.00 0.74 H new ATOM 0 HA PHE A 73 2.473 7.722 -7.628 1.00 0.70 H new ATOM 0 HB2 PHE A 73 4.830 8.048 -8.794 1.00 0.78 H new ATOM 0 HB3 PHE A 73 5.466 7.663 -7.207 1.00 0.78 H new ATOM 0 HD1 PHE A 73 4.675 5.408 -6.114 1.00 3.31 H new ATOM 0 HD2 PHE A 73 4.167 6.345 -10.289 1.00 3.01 H new ATOM 0 HE1 PHE A 73 4.662 2.985 -6.664 1.00 4.75 H new ATOM 0 HE2 PHE A 73 4.203 3.923 -10.836 1.00 4.43 H new ATOM 0 HZ PHE A 73 4.588 2.252 -9.037 1.00 5.03 H new ATOM 1167 N ASN A 74 4.275 8.360 -4.927 1.00 0.63 N ATOM 1168 CA ASN A 74 4.337 8.126 -3.482 1.00 0.66 C ATOM 1169 C ASN A 74 3.246 8.884 -2.696 1.00 0.74 C ATOM 1170 O ASN A 74 2.940 8.501 -1.568 1.00 0.99 O ATOM 1171 CB ASN A 74 5.764 8.367 -2.947 1.00 0.65 C ATOM 1172 CG ASN A 74 5.795 8.547 -1.432 1.00 1.02 C ATOM 1173 OD1 ASN A 74 5.828 7.570 -0.690 1.00 1.53 O ATOM 1174 ND2 ASN A 74 5.773 9.787 -0.954 1.00 1.91 N ATOM 0 H ASN A 74 5.052 8.914 -5.286 1.00 0.63 H new ATOM 0 HA ASN A 74 4.108 7.074 -3.312 1.00 0.66 H new ATOM 0 HB2 ASN A 74 6.399 7.526 -3.223 1.00 0.65 H new ATOM 0 HB3 ASN A 74 6.183 9.253 -3.424 1.00 0.65 H new ATOM 0 HD21 ASN A 74 5.783 9.945 0.054 1.00 1.91 H new ATOM 0 HD22 ASN A 74 5.746 10.580 -1.595 1.00 1.91 H new ATOM 1181 N GLU A 75 2.640 9.939 -3.248 1.00 0.66 N ATOM 1182 CA GLU A 75 1.499 10.601 -2.622 1.00 0.71 C ATOM 1183 C GLU A 75 0.260 9.738 -2.850 1.00 0.71 C ATOM 1184 O GLU A 75 -0.322 9.216 -1.899 1.00 0.83 O ATOM 1185 CB GLU A 75 1.293 11.998 -3.228 1.00 0.78 C ATOM 1186 CG GLU A 75 2.548 12.875 -3.189 1.00 0.82 C ATOM 1187 CD GLU A 75 2.254 14.207 -3.853 1.00 0.88 C ATOM 1188 OE1 GLU A 75 2.259 14.305 -5.097 1.00 1.75 O ATOM 1189 OE2 GLU A 75 1.944 15.210 -3.185 1.00 1.83 O ATOM 0 H GLU A 75 2.926 10.354 -4.135 1.00 0.66 H new ATOM 0 HA GLU A 75 1.679 10.721 -1.554 1.00 0.71 H new ATOM 0 HB2 GLU A 75 0.966 11.891 -4.262 1.00 0.78 H new ATOM 0 HB3 GLU A 75 0.490 12.503 -2.691 1.00 0.78 H new ATOM 0 HG2 GLU A 75 2.863 13.032 -2.157 1.00 0.82 H new ATOM 0 HG3 GLU A 75 3.370 12.375 -3.701 1.00 0.82 H new ATOM 1196 N TYR A 76 -0.084 9.544 -4.126 1.00 0.73 N ATOM 1197 CA TYR A 76 -1.181 8.706 -4.590 1.00 0.69 C ATOM 1198 C TYR A 76 -1.184 7.368 -3.863 1.00 0.67 C ATOM 1199 O TYR A 76 -2.239 6.873 -3.479 1.00 0.64 O ATOM 1200 CB TYR A 76 -1.023 8.497 -6.102 1.00 0.66 C ATOM 1201 CG TYR A 76 -1.844 7.368 -6.687 1.00 0.82 C ATOM 1202 CD1 TYR A 76 -3.239 7.323 -6.502 1.00 1.68 C ATOM 1203 CD2 TYR A 76 -1.203 6.359 -7.426 1.00 2.33 C ATOM 1204 CE1 TYR A 76 -3.986 6.261 -7.041 1.00 1.82 C ATOM 1205 CE2 TYR A 76 -1.957 5.322 -7.991 1.00 2.89 C ATOM 1206 CZ TYR A 76 -3.342 5.265 -7.795 1.00 2.04 C ATOM 1207 OH TYR A 76 -4.042 4.217 -8.312 1.00 2.78 O ATOM 0 H TYR A 76 0.420 9.988 -4.894 1.00 0.73 H new ATOM 0 HA TYR A 76 -2.132 9.195 -4.379 1.00 0.69 H new ATOM 0 HB2 TYR A 76 -1.293 9.422 -6.610 1.00 0.66 H new ATOM 0 HB3 TYR A 76 0.029 8.310 -6.319 1.00 0.66 H new ATOM 0 HD1 TYR A 76 -3.735 8.105 -5.946 1.00 1.68 H new ATOM 0 HD2 TYR A 76 -0.131 6.383 -7.558 1.00 2.33 H new ATOM 0 HE1 TYR A 76 -5.052 6.211 -6.876 1.00 1.82 H new ATOM 0 HE2 TYR A 76 -1.467 4.562 -8.581 1.00 2.89 H new ATOM 0 HH TYR A 76 -3.468 3.423 -8.343 1.00 2.78 H new ATOM 1217 N TRP A 77 0.006 6.815 -3.642 1.00 0.77 N ATOM 1218 CA TRP A 77 0.238 5.612 -2.870 1.00 0.83 C ATOM 1219 C TRP A 77 -0.628 5.480 -1.619 1.00 0.74 C ATOM 1220 O TRP A 77 -1.130 4.387 -1.338 1.00 0.68 O ATOM 1221 CB TRP A 77 1.689 5.631 -2.427 1.00 1.28 C ATOM 1222 CG TRP A 77 2.167 4.347 -1.887 1.00 0.85 C ATOM 1223 CD1 TRP A 77 2.215 3.207 -2.603 1.00 1.65 C ATOM 1224 CD2 TRP A 77 2.696 4.023 -0.567 1.00 2.00 C ATOM 1225 NE1 TRP A 77 2.854 2.261 -1.876 1.00 2.12 N ATOM 1226 CE2 TRP A 77 3.274 2.733 -0.662 1.00 1.75 C ATOM 1227 CE3 TRP A 77 2.656 4.587 0.734 1.00 3.97 C ATOM 1228 CZ2 TRP A 77 3.975 2.166 0.393 1.00 2.70 C ATOM 1229 CZ3 TRP A 77 3.323 3.935 1.797 1.00 4.71 C ATOM 1230 CH2 TRP A 77 4.255 2.951 1.499 1.00 4.04 C ATOM 0 H TRP A 77 0.867 7.215 -4.015 1.00 0.77 H new ATOM 0 HA TRP A 77 -0.017 4.770 -3.513 1.00 0.83 H new ATOM 0 HB2 TRP A 77 2.314 5.912 -3.275 1.00 1.28 H new ATOM 0 HB3 TRP A 77 1.816 6.403 -1.668 1.00 1.28 H new ATOM 0 HD1 TRP A 77 1.810 3.070 -3.595 1.00 1.65 H new ATOM 0 HE1 TRP A 77 3.005 1.305 -2.197 1.00 2.12 H new ATOM 0 HE3 TRP A 77 2.120 5.508 0.911 1.00 3.97 H new ATOM 0 HZ2 TRP A 77 4.295 1.135 0.352 1.00 2.70 H new ATOM 0 HZ3 TRP A 77 3.111 4.198 2.823 1.00 4.71 H new ATOM 0 HH2 TRP A 77 5.145 2.806 2.094 1.00 4.04 H new ATOM 1241 N ARG A 78 -0.788 6.568 -0.849 1.00 0.84 N ATOM 1242 CA ARG A 78 -1.628 6.537 0.340 1.00 0.88 C ATOM 1243 C ARG A 78 -2.986 5.928 -0.002 1.00 0.75 C ATOM 1244 O ARG A 78 -3.516 5.164 0.790 1.00 0.87 O ATOM 1245 CB ARG A 78 -1.857 7.932 0.930 1.00 1.06 C ATOM 1246 CG ARG A 78 -0.795 8.490 1.889 1.00 1.50 C ATOM 1247 CD ARG A 78 0.253 9.409 1.240 1.00 1.66 C ATOM 1248 NE ARG A 78 1.423 8.683 0.718 1.00 3.32 N ATOM 1249 CZ ARG A 78 2.415 8.190 1.476 1.00 4.64 C ATOM 1250 NH1 ARG A 78 2.311 8.193 2.809 1.00 4.60 N ATOM 1251 NH2 ARG A 78 3.508 7.702 0.890 1.00 6.58 N ATOM 0 H ARG A 78 -0.347 7.469 -1.033 1.00 0.84 H new ATOM 0 HA ARG A 78 -1.105 5.933 1.082 1.00 0.88 H new ATOM 0 HB2 ARG A 78 -1.960 8.633 0.101 1.00 1.06 H new ATOM 0 HB3 ARG A 78 -2.811 7.919 1.458 1.00 1.06 H new ATOM 0 HG2 ARG A 78 -1.299 9.043 2.682 1.00 1.50 H new ATOM 0 HG3 ARG A 78 -0.279 7.654 2.361 1.00 1.50 H new ATOM 0 HD2 ARG A 78 -0.214 9.963 0.426 1.00 1.66 H new ATOM 0 HD3 ARG A 78 0.587 10.142 1.974 1.00 1.66 H new ATOM 0 HE ARG A 78 1.484 8.545 -0.291 1.00 3.32 H new ATOM 0 HH11 ARG A 78 1.475 8.571 3.254 1.00 4.60 H new ATOM 0 HH12 ARG A 78 3.068 7.817 3.380 1.00 4.60 H new ATOM 0 HH21 ARG A 78 3.586 7.705 -0.127 1.00 6.58 H new ATOM 0 HH22 ARG A 78 4.267 7.325 1.459 1.00 6.58 H new ATOM 1265 N LEU A 79 -3.542 6.236 -1.178 1.00 0.60 N ATOM 1266 CA LEU A 79 -4.808 5.684 -1.615 1.00 0.64 C ATOM 1267 C LEU A 79 -4.770 4.159 -1.634 1.00 0.78 C ATOM 1268 O LEU A 79 -5.734 3.540 -1.211 1.00 1.08 O ATOM 1269 CB LEU A 79 -5.195 6.206 -3.006 1.00 0.59 C ATOM 1270 CG LEU A 79 -6.706 6.046 -3.238 1.00 0.66 C ATOM 1271 CD1 LEU A 79 -7.487 7.171 -2.548 1.00 0.70 C ATOM 1272 CD2 LEU A 79 -7.008 6.032 -4.736 1.00 0.71 C ATOM 0 H LEU A 79 -3.118 6.878 -1.848 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.561 6.008 -0.897 1.00 0.64 H new ATOM 0 HB2 LEU A 79 -4.916 7.256 -3.098 1.00 0.59 H new ATOM 0 HB3 LEU A 79 -4.643 5.661 -3.772 1.00 0.59 H new ATOM 0 HG LEU A 79 -7.022 5.098 -2.804 1.00 0.66 H new ATOM 0 HD11 LEU A 79 -8.554 7.036 -2.727 1.00 0.70 H new ATOM 0 HD12 LEU A 79 -7.292 7.144 -1.476 1.00 0.70 H new ATOM 0 HD13 LEU A 79 -7.171 8.133 -2.950 1.00 0.70 H new ATOM 0 HD21 LEU A 79 -8.081 5.918 -4.890 1.00 0.71 H new ATOM 0 HD22 LEU A 79 -6.675 6.968 -5.183 1.00 0.71 H new ATOM 0 HD23 LEU A 79 -6.484 5.199 -5.205 1.00 0.71 H new ATOM 1284 N ILE A 80 -3.684 3.543 -2.114 1.00 0.70 N ATOM 1285 CA ILE A 80 -3.568 2.103 -2.214 1.00 0.85 C ATOM 1286 C ILE A 80 -3.438 1.561 -0.793 1.00 0.92 C ATOM 1287 O ILE A 80 -4.060 0.566 -0.422 1.00 1.01 O ATOM 1288 CB ILE A 80 -2.372 1.725 -3.098 1.00 0.89 C ATOM 1289 CG1 ILE A 80 -2.293 2.583 -4.372 1.00 1.28 C ATOM 1290 CG2 ILE A 80 -2.437 0.227 -3.444 1.00 1.18 C ATOM 1291 CD1 ILE A 80 -3.567 2.567 -5.222 1.00 1.75 C ATOM 0 H ILE A 80 -2.859 4.044 -2.444 1.00 0.70 H new ATOM 0 HA ILE A 80 -4.445 1.663 -2.688 1.00 0.85 H new ATOM 0 HB ILE A 80 -1.461 1.925 -2.534 1.00 0.89 H new ATOM 0 HG12 ILE A 80 -2.071 3.612 -4.090 1.00 1.28 H new ATOM 0 HG13 ILE A 80 -1.459 2.233 -4.981 1.00 1.28 H new ATOM 0 HG21 ILE A 80 -1.587 -0.039 -4.072 1.00 1.18 H new ATOM 0 HG22 ILE A 80 -2.408 -0.360 -2.526 1.00 1.18 H new ATOM 0 HG23 ILE A 80 -3.363 0.017 -3.980 1.00 1.18 H new ATOM 0 HD11 ILE A 80 -3.426 3.197 -6.100 1.00 1.75 H new ATOM 0 HD12 ILE A 80 -3.781 1.546 -5.538 1.00 1.75 H new ATOM 0 HD13 ILE A 80 -4.402 2.947 -4.633 1.00 1.75 H new ATOM 1303 N GLY A 81 -2.653 2.273 0.018 1.00 0.96 N ATOM 1304 CA GLY A 81 -2.431 1.935 1.401 1.00 1.10 C ATOM 1305 C GLY A 81 -3.718 1.956 2.195 1.00 1.13 C ATOM 1306 O GLY A 81 -3.963 1.103 3.045 1.00 1.24 O ATOM 0 H GLY A 81 -2.153 3.109 -0.284 1.00 0.96 H new ATOM 0 HA2 GLY A 81 -1.979 0.945 1.466 1.00 1.10 H new ATOM 0 HA3 GLY A 81 -1.722 2.638 1.838 1.00 1.10 H new ATOM 1310 N GLU A 82 -4.570 2.918 1.885 1.00 1.13 N ATOM 1311 CA GLU A 82 -5.829 3.086 2.547 1.00 1.26 C ATOM 1312 C GLU A 82 -6.871 2.142 1.994 1.00 1.33 C ATOM 1313 O GLU A 82 -7.470 1.435 2.781 1.00 1.55 O ATOM 1314 CB GLU A 82 -6.199 4.550 2.516 1.00 1.08 C ATOM 1315 CG GLU A 82 -5.256 5.236 3.522 1.00 1.37 C ATOM 1316 CD GLU A 82 -5.970 5.280 4.877 1.00 2.23 C ATOM 1317 OE1 GLU A 82 -5.912 4.255 5.606 1.00 3.59 O ATOM 1318 OE2 GLU A 82 -6.745 6.227 5.132 1.00 2.46 O ATOM 0 H GLU A 82 -4.394 3.608 1.155 1.00 1.13 H new ATOM 0 HA GLU A 82 -5.760 2.805 3.598 1.00 1.26 H new ATOM 0 HB2 GLU A 82 -6.074 4.965 1.516 1.00 1.08 H new ATOM 0 HB3 GLU A 82 -7.243 4.697 2.794 1.00 1.08 H new ATOM 0 HG2 GLU A 82 -4.318 4.687 3.602 1.00 1.37 H new ATOM 0 HG3 GLU A 82 -5.008 6.243 3.188 1.00 1.37 H new ATOM 1325 N LEU A 83 -7.069 2.036 0.684 1.00 1.24 N ATOM 1326 CA LEU A 83 -7.995 1.040 0.166 1.00 1.35 C ATOM 1327 C LEU A 83 -7.621 -0.369 0.664 1.00 1.60 C ATOM 1328 O LEU A 83 -8.506 -1.149 1.001 1.00 1.88 O ATOM 1329 CB LEU A 83 -8.233 1.211 -1.345 1.00 1.66 C ATOM 1330 CG LEU A 83 -7.035 0.921 -2.252 1.00 1.43 C ATOM 1331 CD1 LEU A 83 -6.958 -0.541 -2.665 1.00 2.44 C ATOM 1332 CD2 LEU A 83 -7.108 1.733 -3.550 1.00 2.42 C ATOM 0 H LEU A 83 -6.612 2.613 -0.022 1.00 1.24 H new ATOM 0 HA LEU A 83 -8.989 1.204 0.581 1.00 1.35 H new ATOM 0 HB2 LEU A 83 -9.053 0.556 -1.640 1.00 1.66 H new ATOM 0 HB3 LEU A 83 -8.561 2.234 -1.527 1.00 1.66 H new ATOM 0 HG LEU A 83 -6.160 1.192 -1.662 1.00 1.43 H new ATOM 0 HD11 LEU A 83 -6.091 -0.692 -3.307 1.00 2.44 H new ATOM 0 HD12 LEU A 83 -6.865 -1.166 -1.777 1.00 2.44 H new ATOM 0 HD13 LEU A 83 -7.863 -0.814 -3.207 1.00 2.44 H new ATOM 0 HD21 LEU A 83 -6.243 1.504 -4.172 1.00 2.42 H new ATOM 0 HD22 LEU A 83 -8.020 1.476 -4.089 1.00 2.42 H new ATOM 0 HD23 LEU A 83 -7.113 2.797 -3.314 1.00 2.42 H new ATOM 1344 N ALA A 84 -6.326 -0.670 0.838 1.00 1.48 N ATOM 1345 CA ALA A 84 -5.911 -1.887 1.539 1.00 1.58 C ATOM 1346 C ALA A 84 -6.477 -1.967 2.963 1.00 1.74 C ATOM 1347 O ALA A 84 -6.889 -3.030 3.419 1.00 2.04 O ATOM 1348 CB ALA A 84 -4.385 -2.019 1.548 1.00 1.42 C ATOM 0 H ALA A 84 -5.556 -0.091 0.505 1.00 1.48 H new ATOM 0 HA ALA A 84 -6.329 -2.728 0.986 1.00 1.58 H new ATOM 0 HB1 ALA A 84 -4.102 -2.931 2.074 1.00 1.42 H new ATOM 0 HB2 ALA A 84 -4.018 -2.063 0.523 1.00 1.42 H new ATOM 0 HB3 ALA A 84 -3.948 -1.158 2.053 1.00 1.42 H new ATOM 1354 N LYS A 85 -6.495 -0.839 3.670 1.00 1.60 N ATOM 1355 CA LYS A 85 -7.106 -0.684 4.982 1.00 1.73 C ATOM 1356 C LYS A 85 -8.621 -0.887 4.922 1.00 1.87 C ATOM 1357 O LYS A 85 -9.184 -1.548 5.791 1.00 1.91 O ATOM 1358 CB LYS A 85 -6.827 0.735 5.507 1.00 1.83 C ATOM 1359 CG LYS A 85 -6.470 0.782 6.990 1.00 1.69 C ATOM 1360 CD LYS A 85 -5.045 0.328 7.259 1.00 2.89 C ATOM 1361 CE LYS A 85 -3.987 1.102 6.462 1.00 2.57 C ATOM 1362 NZ LYS A 85 -4.117 2.577 6.522 1.00 2.42 N ATOM 0 H LYS A 85 -6.068 0.022 3.329 1.00 1.60 H new ATOM 0 HA LYS A 85 -6.677 -1.437 5.643 1.00 1.73 H new ATOM 0 HB2 LYS A 85 -6.010 1.171 4.932 1.00 1.83 H new ATOM 0 HB3 LYS A 85 -7.706 1.356 5.334 1.00 1.83 H new ATOM 0 HG2 LYS A 85 -6.600 1.799 7.360 1.00 1.69 H new ATOM 0 HG3 LYS A 85 -7.161 0.149 7.547 1.00 1.69 H new ATOM 0 HD2 LYS A 85 -4.835 0.435 8.323 1.00 2.89 H new ATOM 0 HD3 LYS A 85 -4.961 -0.733 7.022 1.00 2.89 H new ATOM 0 HE2 LYS A 85 -3.000 0.823 6.830 1.00 2.57 H new ATOM 0 HE3 LYS A 85 -4.038 0.789 5.419 1.00 2.57 H new ATOM 0 HZ1 LYS A 85 -3.221 3.017 6.229 1.00 2.42 H new ATOM 0 HZ2 LYS A 85 -4.879 2.885 5.884 1.00 2.42 H new ATOM 0 HZ3 LYS A 85 -4.342 2.866 7.495 1.00 2.42 H new ATOM 1376 N GLU A 86 -9.287 -0.231 3.968 1.00 1.91 N ATOM 1377 CA GLU A 86 -10.712 0.075 3.983 1.00 1.83 C ATOM 1378 C GLU A 86 -11.569 -1.193 3.991 1.00 1.86 C ATOM 1379 O GLU A 86 -12.652 -1.185 4.578 1.00 1.96 O ATOM 1380 CB GLU A 86 -11.042 1.055 2.844 1.00 1.79 C ATOM 1381 CG GLU A 86 -10.353 2.424 3.052 1.00 1.71 C ATOM 1382 CD GLU A 86 -11.169 3.389 3.894 1.00 1.98 C ATOM 1383 OE1 GLU A 86 -12.349 3.617 3.548 1.00 2.84 O ATOM 1384 OE2 GLU A 86 -10.617 3.871 4.907 1.00 2.02 O ATOM 0 H GLU A 86 -8.823 0.115 3.128 1.00 1.91 H new ATOM 0 HA GLU A 86 -10.966 0.578 4.916 1.00 1.83 H new ATOM 0 HB2 GLU A 86 -10.724 0.628 1.893 1.00 1.79 H new ATOM 0 HB3 GLU A 86 -12.121 1.196 2.786 1.00 1.79 H new ATOM 0 HG2 GLU A 86 -9.385 2.267 3.529 1.00 1.71 H new ATOM 0 HG3 GLU A 86 -10.160 2.876 2.079 1.00 1.71 H new ATOM 1391 N ILE A 87 -11.064 -2.299 3.428 1.00 1.82 N ATOM 1392 CA ILE A 87 -11.667 -3.621 3.567 1.00 1.82 C ATOM 1393 C ILE A 87 -11.946 -3.957 5.049 1.00 1.81 C ATOM 1394 O ILE A 87 -12.965 -4.566 5.387 1.00 1.89 O ATOM 1395 CB ILE A 87 -10.755 -4.653 2.859 1.00 1.76 C ATOM 1396 CG1 ILE A 87 -11.581 -5.885 2.457 1.00 1.86 C ATOM 1397 CG2 ILE A 87 -9.548 -5.067 3.715 1.00 1.73 C ATOM 1398 CD1 ILE A 87 -10.914 -6.618 1.295 1.00 1.72 C ATOM 0 H ILE A 87 -10.217 -2.296 2.859 1.00 1.82 H new ATOM 0 HA ILE A 87 -12.644 -3.647 3.083 1.00 1.82 H new ATOM 0 HB ILE A 87 -10.351 -4.174 1.967 1.00 1.76 H new ATOM 0 HG12 ILE A 87 -11.682 -6.557 3.309 1.00 1.86 H new ATOM 0 HG13 ILE A 87 -12.588 -5.579 2.172 1.00 1.86 H new ATOM 0 HG21 ILE A 87 -8.945 -5.791 3.168 1.00 1.73 H new ATOM 0 HG22 ILE A 87 -8.944 -4.188 3.941 1.00 1.73 H new ATOM 0 HG23 ILE A 87 -9.898 -5.515 4.645 1.00 1.73 H new ATOM 0 HD11 ILE A 87 -11.512 -7.488 1.023 1.00 1.72 H new ATOM 0 HD12 ILE A 87 -10.837 -5.948 0.439 1.00 1.72 H new ATOM 0 HD13 ILE A 87 -9.917 -6.942 1.593 1.00 1.72 H new ATOM 1410 N ARG A 88 -11.018 -3.542 5.923 1.00 1.80 N ATOM 1411 CA ARG A 88 -11.013 -3.632 7.378 1.00 1.76 C ATOM 1412 C ARG A 88 -11.736 -2.418 7.996 1.00 1.93 C ATOM 1413 O ARG A 88 -12.650 -2.541 8.814 1.00 2.19 O ATOM 1414 CB ARG A 88 -11.492 -5.013 7.856 1.00 3.37 C ATOM 1415 CG ARG A 88 -10.885 -5.469 9.193 1.00 3.26 C ATOM 1416 CD ARG A 88 -9.387 -5.821 9.105 1.00 3.24 C ATOM 1417 NE ARG A 88 -9.039 -6.897 10.056 1.00 3.87 N ATOM 1418 CZ ARG A 88 -8.081 -6.906 11.004 1.00 3.94 C ATOM 1419 NH1 ARG A 88 -7.231 -5.894 11.188 1.00 3.73 N ATOM 1420 NH2 ARG A 88 -7.964 -7.959 11.813 1.00 5.11 N ATOM 0 H ARG A 88 -10.168 -3.090 5.587 1.00 1.80 H new ATOM 0 HA ARG A 88 -9.991 -3.568 7.752 1.00 1.76 H new ATOM 0 HB2 ARG A 88 -12.578 -4.994 7.952 1.00 3.37 H new ATOM 0 HB3 ARG A 88 -11.252 -5.752 7.091 1.00 3.37 H new ATOM 0 HG2 ARG A 88 -11.021 -4.679 9.932 1.00 3.26 H new ATOM 0 HG3 ARG A 88 -11.433 -6.340 9.553 1.00 3.26 H new ATOM 0 HD2 ARG A 88 -9.143 -6.135 8.090 1.00 3.24 H new ATOM 0 HD3 ARG A 88 -8.789 -4.935 9.318 1.00 3.24 H new ATOM 0 HE ARG A 88 -9.599 -7.747 9.986 1.00 3.87 H new ATOM 0 HH11 ARG A 88 -7.289 -5.065 10.597 1.00 3.73 H new ATOM 0 HH12 ARG A 88 -6.523 -5.949 11.920 1.00 3.73 H new ATOM 0 HH21 ARG A 88 -8.598 -8.752 11.713 1.00 5.11 H new ATOM 0 HH22 ARG A 88 -7.241 -7.972 12.532 1.00 5.11 H new ATOM 1434 N LYS A 89 -11.273 -1.220 7.623 1.00 1.94 N ATOM 1435 CA LYS A 89 -11.600 0.077 8.203 1.00 2.04 C ATOM 1436 C LYS A 89 -12.990 0.577 7.778 1.00 2.35 C ATOM 1437 O LYS A 89 -13.148 1.661 7.218 1.00 3.11 O ATOM 1438 CB LYS A 89 -10.408 1.014 7.906 1.00 2.03 C ATOM 1439 CG LYS A 89 -10.540 2.541 8.074 1.00 2.29 C ATOM 1440 CD LYS A 89 -9.111 3.103 8.074 1.00 2.10 C ATOM 1441 CE LYS A 89 -8.944 4.581 7.670 1.00 3.07 C ATOM 1442 NZ LYS A 89 -8.509 4.719 6.259 1.00 4.92 N ATOM 0 H LYS A 89 -10.612 -1.131 6.851 1.00 1.94 H new ATOM 0 HA LYS A 89 -11.714 0.024 9.286 1.00 2.04 H new ATOM 0 HB2 LYS A 89 -9.583 0.693 8.541 1.00 2.03 H new ATOM 0 HB3 LYS A 89 -10.106 0.831 6.875 1.00 2.03 H new ATOM 0 HG2 LYS A 89 -11.127 2.972 7.262 1.00 2.29 H new ATOM 0 HG3 LYS A 89 -11.054 2.786 9.004 1.00 2.29 H new ATOM 0 HD2 LYS A 89 -8.696 2.975 9.074 1.00 2.10 H new ATOM 0 HD3 LYS A 89 -8.508 2.496 7.399 1.00 2.10 H new ATOM 0 HE2 LYS A 89 -9.889 5.106 7.812 1.00 3.07 H new ATOM 0 HE3 LYS A 89 -8.213 5.057 8.324 1.00 3.07 H new ATOM 0 HZ1 LYS A 89 -8.102 5.665 6.112 1.00 4.92 H new ATOM 0 HZ2 LYS A 89 -7.792 3.997 6.044 1.00 4.92 H new ATOM 0 HZ3 LYS A 89 -9.327 4.592 5.630 1.00 4.92 H new ATOM 1710 N LEU B 6 -15.731 -6.836 -3.340 1.00 1.79 N ATOM 1711 CA LEU B 6 -15.887 -5.428 -3.758 1.00 2.01 C ATOM 1712 C LEU B 6 -15.715 -5.153 -5.276 1.00 2.20 C ATOM 1713 O LEU B 6 -16.705 -5.145 -6.006 1.00 3.31 O ATOM 1714 CB LEU B 6 -15.068 -4.465 -2.861 1.00 2.59 C ATOM 1715 CG LEU B 6 -14.486 -5.048 -1.557 1.00 2.40 C ATOM 1716 CD1 LEU B 6 -13.414 -4.108 -1.018 1.00 3.54 C ATOM 1717 CD2 LEU B 6 -15.535 -5.087 -0.430 1.00 2.69 C ATOM 0 HA LEU B 6 -16.942 -5.209 -3.593 1.00 2.01 H new ATOM 0 HB2 LEU B 6 -14.243 -4.070 -3.453 1.00 2.59 H new ATOM 0 HB3 LEU B 6 -15.706 -3.621 -2.600 1.00 2.59 H new ATOM 0 HG LEU B 6 -14.121 -6.045 -1.804 1.00 2.40 H new ATOM 0 HD11 LEU B 6 -13.001 -4.518 -0.096 1.00 3.54 H new ATOM 0 HD12 LEU B 6 -12.619 -4.001 -1.756 1.00 3.54 H new ATOM 0 HD13 LEU B 6 -13.854 -3.132 -0.816 1.00 3.54 H new ATOM 0 HD21 LEU B 6 -15.086 -5.504 0.471 1.00 2.69 H new ATOM 0 HD22 LEU B 6 -15.887 -4.076 -0.225 1.00 2.69 H new ATOM 0 HD23 LEU B 6 -16.376 -5.709 -0.737 1.00 2.69 H new ATOM 1729 N THR B 7 -14.501 -4.819 -5.741 1.00 1.47 N ATOM 1730 CA THR B 7 -14.150 -4.361 -7.084 1.00 1.62 C ATOM 1731 C THR B 7 -12.961 -5.160 -7.659 1.00 1.50 C ATOM 1732 O THR B 7 -12.890 -6.367 -7.463 1.00 1.94 O ATOM 1733 CB THR B 7 -13.913 -2.839 -7.017 1.00 1.69 C ATOM 1734 OG1 THR B 7 -13.616 -2.314 -8.296 1.00 2.13 O ATOM 1735 CG2 THR B 7 -12.792 -2.453 -6.037 1.00 1.44 C ATOM 0 H THR B 7 -13.680 -4.868 -5.137 1.00 1.47 H new ATOM 0 HA THR B 7 -14.963 -4.547 -7.785 1.00 1.62 H new ATOM 0 HB THR B 7 -14.843 -2.407 -6.649 1.00 1.69 H new ATOM 0 HG1 THR B 7 -13.248 -1.411 -8.201 1.00 2.13 H new ATOM 0 HG21 THR B 7 -12.670 -1.370 -6.032 1.00 1.44 H new ATOM 0 HG22 THR B 7 -13.052 -2.794 -5.035 1.00 1.44 H new ATOM 0 HG23 THR B 7 -11.859 -2.922 -6.349 1.00 1.44 H new ATOM 1743 N GLU B 8 -12.041 -4.499 -8.374 1.00 1.51 N ATOM 1744 CA GLU B 8 -10.830 -5.082 -8.939 1.00 1.37 C ATOM 1745 C GLU B 8 -9.737 -5.012 -7.880 1.00 0.92 C ATOM 1746 O GLU B 8 -9.244 -6.024 -7.389 1.00 1.10 O ATOM 1747 CB GLU B 8 -10.452 -4.283 -10.198 1.00 1.66 C ATOM 1748 CG GLU B 8 -9.020 -4.541 -10.689 1.00 1.93 C ATOM 1749 CD GLU B 8 -8.725 -3.676 -11.909 1.00 2.50 C ATOM 1750 OE1 GLU B 8 -8.682 -2.440 -11.714 1.00 3.12 O ATOM 1751 OE2 GLU B 8 -8.580 -4.254 -13.006 1.00 2.80 O ATOM 0 H GLU B 8 -12.129 -3.504 -8.579 1.00 1.51 H new ATOM 0 HA GLU B 8 -10.973 -6.124 -9.224 1.00 1.37 H new ATOM 0 HB2 GLU B 8 -11.150 -4.531 -10.997 1.00 1.66 H new ATOM 0 HB3 GLU B 8 -10.569 -3.219 -9.991 1.00 1.66 H new ATOM 0 HG2 GLU B 8 -8.308 -4.318 -9.894 1.00 1.93 H new ATOM 0 HG3 GLU B 8 -8.897 -5.594 -10.941 1.00 1.93 H new ATOM 1758 N LEU B 9 -9.372 -3.782 -7.509 1.00 0.70 N ATOM 1759 CA LEU B 9 -8.339 -3.512 -6.523 1.00 0.74 C ATOM 1760 C LEU B 9 -8.565 -4.319 -5.245 1.00 0.99 C ATOM 1761 O LEU B 9 -7.593 -4.729 -4.619 1.00 1.08 O ATOM 1762 CB LEU B 9 -8.286 -2.012 -6.218 1.00 0.95 C ATOM 1763 CG LEU B 9 -7.349 -1.188 -7.106 1.00 1.13 C ATOM 1764 CD1 LEU B 9 -5.958 -1.134 -6.484 1.00 3.28 C ATOM 1765 CD2 LEU B 9 -7.235 -1.625 -8.549 1.00 1.73 C ATOM 0 H LEU B 9 -9.796 -2.938 -7.895 1.00 0.70 H new ATOM 0 HA LEU B 9 -7.380 -3.821 -6.938 1.00 0.74 H new ATOM 0 HB2 LEU B 9 -9.293 -1.605 -6.308 1.00 0.95 H new ATOM 0 HB3 LEU B 9 -7.981 -1.881 -5.180 1.00 0.95 H new ATOM 0 HG LEU B 9 -7.816 -0.204 -7.148 1.00 1.13 H new ATOM 0 HD11 LEU B 9 -5.297 -0.546 -7.121 1.00 3.28 H new ATOM 0 HD12 LEU B 9 -6.018 -0.672 -5.499 1.00 3.28 H new ATOM 0 HD13 LEU B 9 -5.563 -2.145 -6.387 1.00 3.28 H new ATOM 0 HD21 LEU B 9 -6.544 -0.966 -9.075 1.00 1.73 H new ATOM 0 HD22 LEU B 9 -6.863 -2.649 -8.591 1.00 1.73 H new ATOM 0 HD23 LEU B 9 -8.215 -1.576 -9.023 1.00 1.73 H new ATOM 1777 N GLU B 10 -9.830 -4.553 -4.865 1.00 1.17 N ATOM 1778 CA GLU B 10 -10.170 -5.391 -3.728 1.00 1.49 C ATOM 1779 C GLU B 10 -9.385 -6.691 -3.758 1.00 1.63 C ATOM 1780 O GLU B 10 -8.779 -7.056 -2.756 1.00 1.96 O ATOM 1781 CB GLU B 10 -11.677 -5.634 -3.616 1.00 1.85 C ATOM 1782 CG GLU B 10 -12.260 -6.789 -4.450 1.00 4.35 C ATOM 1783 CD GLU B 10 -12.473 -8.063 -3.650 1.00 5.63 C ATOM 1784 OE1 GLU B 10 -11.541 -8.470 -2.931 1.00 6.53 O ATOM 1785 OE2 GLU B 10 -13.620 -8.553 -3.735 1.00 6.22 O ATOM 0 H GLU B 10 -10.640 -4.161 -5.345 1.00 1.17 H new ATOM 0 HA GLU B 10 -9.881 -4.850 -2.827 1.00 1.49 H new ATOM 0 HB2 GLU B 10 -11.914 -5.819 -2.568 1.00 1.85 H new ATOM 0 HB3 GLU B 10 -12.191 -4.716 -3.902 1.00 1.85 H new ATOM 0 HG2 GLU B 10 -13.212 -6.474 -4.878 1.00 4.35 H new ATOM 0 HG3 GLU B 10 -11.590 -7.000 -5.283 1.00 4.35 H new ATOM 1792 N GLU B 11 -9.337 -7.349 -4.920 1.00 1.59 N ATOM 1793 CA GLU B 11 -8.762 -8.671 -4.978 1.00 1.74 C ATOM 1794 C GLU B 11 -7.270 -8.558 -4.643 1.00 1.57 C ATOM 1795 O GLU B 11 -6.700 -9.355 -3.891 1.00 1.75 O ATOM 1796 CB GLU B 11 -8.923 -9.287 -6.382 1.00 1.95 C ATOM 1797 CG GLU B 11 -10.326 -9.190 -6.999 1.00 1.92 C ATOM 1798 CD GLU B 11 -10.442 -10.112 -8.208 1.00 3.60 C ATOM 1799 OE1 GLU B 11 -10.496 -11.340 -7.986 1.00 4.06 O ATOM 1800 OE2 GLU B 11 -10.441 -9.579 -9.339 1.00 5.02 O ATOM 0 H GLU B 11 -9.684 -6.987 -5.808 1.00 1.59 H new ATOM 0 HA GLU B 11 -9.276 -9.316 -4.265 1.00 1.74 H new ATOM 0 HB2 GLU B 11 -8.217 -8.800 -7.055 1.00 1.95 H new ATOM 0 HB3 GLU B 11 -8.641 -10.339 -6.331 1.00 1.95 H new ATOM 0 HG2 GLU B 11 -11.076 -9.459 -6.255 1.00 1.92 H new ATOM 0 HG3 GLU B 11 -10.528 -8.161 -7.298 1.00 1.92 H new ATOM 1807 N SER B 12 -6.628 -7.544 -5.238 1.00 1.29 N ATOM 1808 CA SER B 12 -5.191 -7.366 -5.149 1.00 1.20 C ATOM 1809 C SER B 12 -4.772 -6.831 -3.780 1.00 1.11 C ATOM 1810 O SER B 12 -3.660 -7.126 -3.346 1.00 1.18 O ATOM 1811 CB SER B 12 -4.674 -6.529 -6.323 1.00 1.26 C ATOM 1812 OG SER B 12 -5.408 -5.332 -6.461 1.00 1.28 O ATOM 0 H SER B 12 -7.099 -6.829 -5.792 1.00 1.29 H new ATOM 0 HA SER B 12 -4.713 -8.342 -5.235 1.00 1.20 H new ATOM 0 HB2 SER B 12 -3.620 -6.296 -6.170 1.00 1.26 H new ATOM 0 HB3 SER B 12 -4.743 -7.108 -7.244 1.00 1.26 H new ATOM 0 HG SER B 12 -5.988 -5.212 -5.680 1.00 1.28 H new ATOM 1818 N ILE B 13 -5.636 -6.095 -3.067 1.00 1.11 N ATOM 1819 CA ILE B 13 -5.384 -5.829 -1.655 1.00 1.20 C ATOM 1820 C ILE B 13 -5.665 -7.061 -0.803 1.00 1.40 C ATOM 1821 O ILE B 13 -4.872 -7.350 0.087 1.00 1.50 O ATOM 1822 CB ILE B 13 -6.005 -4.525 -1.121 1.00 1.24 C ATOM 1823 CG1 ILE B 13 -7.484 -4.289 -1.440 1.00 1.26 C ATOM 1824 CG2 ILE B 13 -5.163 -3.368 -1.681 1.00 1.10 C ATOM 1825 CD1 ILE B 13 -8.408 -4.682 -0.297 1.00 1.42 C ATOM 0 H ILE B 13 -6.493 -5.685 -3.438 1.00 1.11 H new ATOM 0 HA ILE B 13 -4.316 -5.627 -1.568 1.00 1.20 H new ATOM 0 HB ILE B 13 -5.988 -4.596 -0.033 1.00 1.24 H new ATOM 0 HG12 ILE B 13 -7.635 -3.236 -1.677 1.00 1.26 H new ATOM 0 HG13 ILE B 13 -7.753 -4.858 -2.330 1.00 1.26 H new ATOM 0 HG21 ILE B 13 -5.567 -2.419 -1.328 1.00 1.10 H new ATOM 0 HG22 ILE B 13 -4.132 -3.471 -1.343 1.00 1.10 H new ATOM 0 HG23 ILE B 13 -5.192 -3.391 -2.770 1.00 1.10 H new ATOM 0 HD11 ILE B 13 -9.442 -4.491 -0.583 1.00 1.42 H new ATOM 0 HD12 ILE B 13 -8.282 -5.742 -0.075 1.00 1.42 H new ATOM 0 HD13 ILE B 13 -8.162 -4.095 0.588 1.00 1.42 H new ATOM 1837 N GLU B 14 -6.733 -7.816 -1.077 1.00 1.47 N ATOM 1838 CA GLU B 14 -7.046 -9.015 -0.316 1.00 1.63 C ATOM 1839 C GLU B 14 -5.823 -9.926 -0.295 1.00 1.53 C ATOM 1840 O GLU B 14 -5.312 -10.214 0.784 1.00 1.51 O ATOM 1841 CB GLU B 14 -8.302 -9.729 -0.843 1.00 1.89 C ATOM 1842 CG GLU B 14 -8.891 -10.681 0.217 1.00 2.27 C ATOM 1843 CD GLU B 14 -7.993 -11.863 0.575 1.00 2.95 C ATOM 1844 OE1 GLU B 14 -7.409 -12.447 -0.364 1.00 4.01 O ATOM 1845 OE2 GLU B 14 -7.888 -12.151 1.787 1.00 3.01 O ATOM 0 H GLU B 14 -7.395 -7.611 -1.826 1.00 1.47 H new ATOM 0 HA GLU B 14 -7.287 -8.730 0.708 1.00 1.63 H new ATOM 0 HB2 GLU B 14 -9.051 -8.990 -1.127 1.00 1.89 H new ATOM 0 HB3 GLU B 14 -8.053 -10.292 -1.742 1.00 1.89 H new ATOM 0 HG2 GLU B 14 -9.099 -10.112 1.123 1.00 2.27 H new ATOM 0 HG3 GLU B 14 -9.845 -11.063 -0.146 1.00 2.27 H new ATOM 1852 N THR B 15 -5.307 -10.314 -1.467 1.00 1.48 N ATOM 1853 CA THR B 15 -4.230 -11.300 -1.533 1.00 1.45 C ATOM 1854 C THR B 15 -3.048 -10.914 -0.621 1.00 1.31 C ATOM 1855 O THR B 15 -2.530 -11.740 0.131 1.00 1.29 O ATOM 1856 CB THR B 15 -3.853 -11.607 -2.994 1.00 1.46 C ATOM 1857 OG1 THR B 15 -3.087 -12.789 -3.073 1.00 1.80 O ATOM 1858 CG2 THR B 15 -3.067 -10.491 -3.677 1.00 1.20 C ATOM 0 H THR B 15 -5.616 -9.962 -2.373 1.00 1.48 H new ATOM 0 HA THR B 15 -4.588 -12.246 -1.126 1.00 1.45 H new ATOM 0 HB THR B 15 -4.804 -11.715 -3.515 1.00 1.46 H new ATOM 0 HG1 THR B 15 -2.858 -12.969 -4.009 1.00 1.80 H new ATOM 0 HG21 THR B 15 -2.839 -10.782 -4.702 1.00 1.20 H new ATOM 0 HG22 THR B 15 -3.662 -9.578 -3.683 1.00 1.20 H new ATOM 0 HG23 THR B 15 -2.138 -10.316 -3.134 1.00 1.20 H new ATOM 1866 N VAL B 16 -2.664 -9.635 -0.605 1.00 1.21 N ATOM 1867 CA VAL B 16 -1.571 -9.161 0.240 1.00 1.12 C ATOM 1868 C VAL B 16 -2.020 -8.961 1.694 1.00 1.09 C ATOM 1869 O VAL B 16 -1.209 -9.114 2.605 1.00 0.94 O ATOM 1870 CB VAL B 16 -0.866 -7.927 -0.350 1.00 1.09 C ATOM 1871 CG1 VAL B 16 -0.351 -8.217 -1.766 1.00 1.15 C ATOM 1872 CG2 VAL B 16 -1.758 -6.686 -0.388 1.00 1.13 C ATOM 0 H VAL B 16 -3.099 -8.907 -1.172 1.00 1.21 H new ATOM 0 HA VAL B 16 -0.817 -9.948 0.259 1.00 1.12 H new ATOM 0 HB VAL B 16 -0.031 -7.715 0.318 1.00 1.09 H new ATOM 0 HG11 VAL B 16 0.143 -7.330 -2.162 1.00 1.15 H new ATOM 0 HG12 VAL B 16 0.359 -9.044 -1.733 1.00 1.15 H new ATOM 0 HG13 VAL B 16 -1.189 -8.484 -2.410 1.00 1.15 H new ATOM 0 HG21 VAL B 16 -1.202 -5.851 -0.815 1.00 1.13 H new ATOM 0 HG22 VAL B 16 -2.636 -6.888 -1.001 1.00 1.13 H new ATOM 0 HG23 VAL B 16 -2.073 -6.433 0.624 1.00 1.13 H new ATOM 1882 N VAL B 17 -3.292 -8.633 1.941 1.00 1.26 N ATOM 1883 CA VAL B 17 -3.860 -8.567 3.285 1.00 1.31 C ATOM 1884 C VAL B 17 -3.825 -9.960 3.926 1.00 1.32 C ATOM 1885 O VAL B 17 -3.473 -10.089 5.100 1.00 1.30 O ATOM 1886 CB VAL B 17 -5.267 -7.935 3.257 1.00 1.45 C ATOM 1887 CG1 VAL B 17 -6.062 -8.183 4.548 1.00 1.63 C ATOM 1888 CG2 VAL B 17 -5.150 -6.414 3.064 1.00 1.39 C ATOM 0 H VAL B 17 -3.960 -8.404 1.205 1.00 1.26 H new ATOM 0 HA VAL B 17 -3.257 -7.911 3.913 1.00 1.31 H new ATOM 0 HB VAL B 17 -5.798 -8.407 2.430 1.00 1.45 H new ATOM 0 HG11 VAL B 17 -7.043 -7.714 4.467 1.00 1.63 H new ATOM 0 HG12 VAL B 17 -6.184 -9.255 4.700 1.00 1.63 H new ATOM 0 HG13 VAL B 17 -5.524 -7.756 5.394 1.00 1.63 H new ATOM 0 HG21 VAL B 17 -6.146 -5.972 3.045 1.00 1.39 H new ATOM 0 HG22 VAL B 17 -4.579 -5.986 3.888 1.00 1.39 H new ATOM 0 HG23 VAL B 17 -4.642 -6.205 2.123 1.00 1.39 H new ATOM 1898 N THR B 18 -4.148 -11.017 3.178 1.00 1.43 N ATOM 1899 CA THR B 18 -4.011 -12.368 3.695 1.00 1.50 C ATOM 1900 C THR B 18 -2.530 -12.715 3.906 1.00 1.36 C ATOM 1901 O THR B 18 -2.201 -13.224 4.977 1.00 1.37 O ATOM 1902 CB THR B 18 -4.847 -13.394 2.910 1.00 1.72 C ATOM 1903 OG1 THR B 18 -4.744 -14.669 3.512 1.00 1.81 O ATOM 1904 CG2 THR B 18 -4.481 -13.509 1.436 1.00 1.81 C ATOM 0 H THR B 18 -4.502 -10.959 2.223 1.00 1.43 H new ATOM 0 HA THR B 18 -4.457 -12.419 4.688 1.00 1.50 H new ATOM 0 HB THR B 18 -5.871 -13.023 2.948 1.00 1.72 H new ATOM 0 HG1 THR B 18 -5.281 -15.314 3.006 1.00 1.81 H new ATOM 0 HG21 THR B 18 -5.119 -14.254 0.960 1.00 1.81 H new ATOM 0 HG22 THR B 18 -4.624 -12.544 0.949 1.00 1.81 H new ATOM 0 HG23 THR B 18 -3.438 -13.812 1.343 1.00 1.81 H new ATOM 1912 N THR B 19 -1.605 -12.381 2.987 1.00 1.25 N ATOM 1913 CA THR B 19 -0.176 -12.541 3.263 1.00 1.10 C ATOM 1914 C THR B 19 0.190 -11.870 4.596 1.00 0.96 C ATOM 1915 O THR B 19 0.686 -12.526 5.513 1.00 0.98 O ATOM 1916 CB THR B 19 0.671 -11.986 2.106 1.00 1.06 C ATOM 1917 OG1 THR B 19 0.113 -12.354 0.868 1.00 1.18 O ATOM 1918 CG2 THR B 19 2.111 -12.499 2.159 1.00 1.06 C ATOM 0 H THR B 19 -1.822 -12.005 2.064 1.00 1.25 H new ATOM 0 HA THR B 19 0.043 -13.605 3.349 1.00 1.10 H new ATOM 0 HB THR B 19 0.678 -10.901 2.211 1.00 1.06 H new ATOM 0 HG1 THR B 19 0.662 -11.992 0.141 1.00 1.18 H new ATOM 0 HG21 THR B 19 2.676 -12.084 1.325 1.00 1.06 H new ATOM 0 HG22 THR B 19 2.572 -12.192 3.098 1.00 1.06 H new ATOM 0 HG23 THR B 19 2.112 -13.587 2.092 1.00 1.06 H new ATOM 1926 N PHE B 20 -0.105 -10.570 4.715 1.00 0.90 N ATOM 1927 CA PHE B 20 0.021 -9.791 5.940 1.00 0.90 C ATOM 1928 C PHE B 20 -0.447 -10.612 7.136 1.00 1.01 C ATOM 1929 O PHE B 20 0.345 -10.887 8.029 1.00 1.01 O ATOM 1930 CB PHE B 20 -0.759 -8.467 5.807 1.00 1.14 C ATOM 1931 CG PHE B 20 -1.274 -7.842 7.096 1.00 1.97 C ATOM 1932 CD1 PHE B 20 -0.409 -7.628 8.186 1.00 2.73 C ATOM 1933 CD2 PHE B 20 -2.643 -7.533 7.224 1.00 3.50 C ATOM 1934 CE1 PHE B 20 -0.912 -7.117 9.396 1.00 3.82 C ATOM 1935 CE2 PHE B 20 -3.144 -7.011 8.428 1.00 4.51 C ATOM 1936 CZ PHE B 20 -2.278 -6.804 9.515 1.00 4.38 C ATOM 0 H PHE B 20 -0.450 -10.018 3.930 1.00 0.90 H new ATOM 0 HA PHE B 20 1.069 -9.541 6.106 1.00 0.90 H new ATOM 0 HB2 PHE B 20 -0.114 -7.741 5.311 1.00 1.14 H new ATOM 0 HB3 PHE B 20 -1.611 -8.639 5.149 1.00 1.14 H new ATOM 0 HD1 PHE B 20 0.642 -7.857 8.093 1.00 2.73 H new ATOM 0 HD2 PHE B 20 -3.311 -7.699 6.392 1.00 3.50 H new ATOM 0 HE1 PHE B 20 -0.249 -6.965 10.235 1.00 3.82 H new ATOM 0 HE2 PHE B 20 -4.193 -6.769 8.518 1.00 4.51 H new ATOM 0 HZ PHE B 20 -2.661 -6.404 10.442 1.00 4.38 H new ATOM 1946 N PHE B 21 -1.718 -11.008 7.154 1.00 1.16 N ATOM 1947 CA PHE B 21 -2.313 -11.625 8.327 1.00 1.27 C ATOM 1948 C PHE B 21 -1.660 -12.976 8.647 1.00 1.33 C ATOM 1949 O PHE B 21 -1.271 -13.234 9.788 1.00 1.39 O ATOM 1950 CB PHE B 21 -3.834 -11.716 8.134 1.00 1.38 C ATOM 1951 CG PHE B 21 -4.640 -11.529 9.404 1.00 1.18 C ATOM 1952 CD1 PHE B 21 -4.561 -10.307 10.100 1.00 1.76 C ATOM 1953 CD2 PHE B 21 -5.566 -12.507 9.812 1.00 2.36 C ATOM 1954 CE1 PHE B 21 -5.396 -10.065 11.202 1.00 2.19 C ATOM 1955 CE2 PHE B 21 -6.419 -12.255 10.900 1.00 2.43 C ATOM 1956 CZ PHE B 21 -6.343 -11.030 11.586 1.00 1.87 C ATOM 0 H PHE B 21 -2.355 -10.910 6.363 1.00 1.16 H new ATOM 0 HA PHE B 21 -2.126 -11.003 9.202 1.00 1.27 H new ATOM 0 HB2 PHE B 21 -4.141 -10.962 7.409 1.00 1.38 H new ATOM 0 HB3 PHE B 21 -4.076 -12.688 7.705 1.00 1.38 H new ATOM 0 HD1 PHE B 21 -3.855 -9.553 9.784 1.00 1.76 H new ATOM 0 HD2 PHE B 21 -5.621 -13.451 9.289 1.00 2.36 H new ATOM 0 HE1 PHE B 21 -5.311 -9.140 11.753 1.00 2.19 H new ATOM 0 HE2 PHE B 21 -7.134 -13.003 11.210 1.00 2.43 H new ATOM 0 HZ PHE B 21 -7.013 -10.830 12.409 1.00 1.87 H new ATOM 1966 N THR B 22 -1.515 -13.838 7.638 1.00 1.36 N ATOM 1967 CA THR B 22 -0.939 -15.169 7.804 1.00 1.50 C ATOM 1968 C THR B 22 0.499 -15.104 8.327 1.00 1.46 C ATOM 1969 O THR B 22 0.898 -15.946 9.133 1.00 1.70 O ATOM 1970 CB THR B 22 -1.039 -15.978 6.503 1.00 1.60 C ATOM 1971 OG1 THR B 22 -0.426 -15.291 5.436 1.00 2.32 O ATOM 1972 CG2 THR B 22 -2.496 -16.292 6.143 1.00 1.82 C ATOM 0 H THR B 22 -1.796 -13.629 6.680 1.00 1.36 H new ATOM 0 HA THR B 22 -1.524 -15.691 8.561 1.00 1.50 H new ATOM 0 HB THR B 22 -0.516 -16.919 6.671 1.00 1.60 H new ATOM 0 HG1 THR B 22 -1.001 -14.551 5.150 1.00 2.32 H new ATOM 0 HG21 THR B 22 -2.526 -16.865 5.217 1.00 1.82 H new ATOM 0 HG22 THR B 22 -2.952 -16.873 6.945 1.00 1.82 H new ATOM 0 HG23 THR B 22 -3.047 -15.361 6.012 1.00 1.82 H new ATOM 1980 N PHE B 23 1.277 -14.100 7.913 1.00 1.25 N ATOM 1981 CA PHE B 23 2.565 -13.833 8.541 1.00 1.16 C ATOM 1982 C PHE B 23 2.366 -13.294 9.955 1.00 1.14 C ATOM 1983 O PHE B 23 2.914 -13.818 10.921 1.00 1.25 O ATOM 1984 CB PHE B 23 3.385 -12.841 7.704 1.00 1.09 C ATOM 1985 CG PHE B 23 4.246 -13.471 6.627 1.00 1.24 C ATOM 1986 CD1 PHE B 23 3.695 -13.824 5.381 1.00 2.36 C ATOM 1987 CD2 PHE B 23 5.628 -13.633 6.841 1.00 2.32 C ATOM 1988 CE1 PHE B 23 4.538 -14.142 4.302 1.00 2.86 C ATOM 1989 CE2 PHE B 23 6.458 -14.039 5.783 1.00 2.83 C ATOM 1990 CZ PHE B 23 5.927 -14.183 4.491 1.00 2.63 C ATOM 0 H PHE B 23 1.036 -13.466 7.151 1.00 1.25 H new ATOM 0 HA PHE B 23 3.117 -14.771 8.598 1.00 1.16 H new ATOM 0 HB2 PHE B 23 2.702 -12.133 7.234 1.00 1.09 H new ATOM 0 HB3 PHE B 23 4.027 -12.268 8.373 1.00 1.09 H new ATOM 0 HD1 PHE B 23 2.623 -13.851 5.254 1.00 2.36 H new ATOM 0 HD2 PHE B 23 6.050 -13.445 7.817 1.00 2.32 H new ATOM 0 HE1 PHE B 23 4.117 -14.354 3.330 1.00 2.86 H new ATOM 0 HE2 PHE B 23 7.504 -14.240 5.963 1.00 2.83 H new ATOM 0 HZ PHE B 23 6.585 -14.325 3.647 1.00 2.63 H new ATOM 2000 N ALA B 24 1.591 -12.226 10.079 1.00 1.06 N ATOM 2001 CA ALA B 24 1.474 -11.388 11.250 1.00 1.05 C ATOM 2002 C ALA B 24 0.884 -12.140 12.435 1.00 1.08 C ATOM 2003 O ALA B 24 1.060 -11.716 13.581 1.00 1.11 O ATOM 2004 CB ALA B 24 0.690 -10.121 10.918 1.00 1.07 C ATOM 0 H ALA B 24 0.994 -11.908 9.316 1.00 1.06 H new ATOM 0 HA ALA B 24 2.477 -11.090 11.555 1.00 1.05 H new ATOM 0 HB1 ALA B 24 0.609 -9.499 11.809 1.00 1.07 H new ATOM 0 HB2 ALA B 24 1.208 -9.567 10.135 1.00 1.07 H new ATOM 0 HB3 ALA B 24 -0.308 -10.391 10.572 1.00 1.07 H new ATOM 2010 N ARG B 25 0.220 -13.272 12.188 1.00 1.16 N ATOM 2011 CA ARG B 25 -0.202 -14.183 13.244 1.00 1.25 C ATOM 2012 C ARG B 25 0.963 -14.570 14.161 1.00 1.16 C ATOM 2013 O ARG B 25 0.719 -14.921 15.311 1.00 1.28 O ATOM 2014 CB ARG B 25 -0.934 -15.400 12.657 1.00 1.45 C ATOM 2015 CG ARG B 25 -0.018 -16.417 11.962 1.00 1.84 C ATOM 2016 CD ARG B 25 0.329 -17.609 12.868 1.00 1.96 C ATOM 2017 NE ARG B 25 1.395 -18.433 12.273 1.00 2.59 N ATOM 2018 CZ ARG B 25 1.264 -19.332 11.287 1.00 3.22 C ATOM 2019 NH1 ARG B 25 0.057 -19.627 10.796 1.00 3.60 N ATOM 2020 NH2 ARG B 25 2.359 -19.922 10.803 1.00 4.05 N ATOM 0 H ARG B 25 -0.038 -13.579 11.250 1.00 1.16 H new ATOM 0 HA ARG B 25 -0.918 -13.660 13.878 1.00 1.25 H new ATOM 0 HB2 ARG B 25 -1.475 -15.904 13.458 1.00 1.45 H new ATOM 0 HB3 ARG B 25 -1.678 -15.051 11.941 1.00 1.45 H new ATOM 0 HG2 ARG B 25 -0.505 -16.781 11.057 1.00 1.84 H new ATOM 0 HG3 ARG B 25 0.901 -15.921 11.651 1.00 1.84 H new ATOM 0 HD2 ARG B 25 0.648 -17.247 13.845 1.00 1.96 H new ATOM 0 HD3 ARG B 25 -0.560 -18.219 13.029 1.00 1.96 H new ATOM 0 HE ARG B 25 2.334 -18.306 12.652 1.00 2.59 H new ATOM 0 HH11 ARG B 25 -0.773 -19.167 11.171 1.00 3.60 H new ATOM 0 HH12 ARG B 25 -0.035 -20.312 10.046 1.00 3.60 H new ATOM 0 HH21 ARG B 25 3.276 -19.686 11.183 1.00 4.05 H new ATOM 0 HH22 ARG B 25 2.279 -20.609 10.053 1.00 4.05 H new ATOM 2034 N GLN B 26 2.202 -14.551 13.653 1.00 1.03 N ATOM 2035 CA GLN B 26 3.225 -15.447 14.181 1.00 1.02 C ATOM 2036 C GLN B 26 3.520 -15.385 15.692 1.00 1.13 C ATOM 2037 O GLN B 26 3.277 -16.379 16.375 1.00 1.21 O ATOM 2038 CB GLN B 26 4.525 -15.154 13.418 1.00 0.96 C ATOM 2039 CG GLN B 26 5.228 -16.358 12.822 1.00 1.11 C ATOM 2040 CD GLN B 26 4.341 -17.135 11.853 1.00 1.41 C ATOM 2041 OE1 GLN B 26 4.168 -18.347 11.980 1.00 1.91 O ATOM 2042 NE2 GLN B 26 3.689 -16.451 10.919 1.00 2.28 N ATOM 0 H GLN B 26 2.510 -13.940 12.897 1.00 1.03 H new ATOM 0 HA GLN B 26 2.825 -16.451 14.036 1.00 1.02 H new ATOM 0 HB2 GLN B 26 4.302 -14.453 12.614 1.00 0.96 H new ATOM 0 HB3 GLN B 26 5.216 -14.652 14.095 1.00 0.96 H new ATOM 0 HG2 GLN B 26 6.127 -16.028 12.301 1.00 1.11 H new ATOM 0 HG3 GLN B 26 5.550 -17.021 13.625 1.00 1.11 H new ATOM 0 HE21 GLN B 26 3.840 -15.447 10.823 1.00 2.28 H new ATOM 0 HE22 GLN B 26 3.037 -16.930 10.298 1.00 2.28 H new ATOM 2051 N GLU B 27 4.114 -14.296 16.198 1.00 1.16 N ATOM 2052 CA GLU B 27 4.767 -14.374 17.497 1.00 1.21 C ATOM 2053 C GLU B 27 3.801 -14.055 18.643 1.00 1.26 C ATOM 2054 O GLU B 27 3.258 -14.950 19.285 1.00 1.31 O ATOM 2055 CB GLU B 27 5.954 -13.389 17.489 1.00 1.35 C ATOM 2056 CG GLU B 27 7.081 -13.716 16.502 1.00 1.56 C ATOM 2057 CD GLU B 27 8.119 -12.594 16.578 1.00 2.04 C ATOM 2058 OE1 GLU B 27 8.986 -12.700 17.469 1.00 2.52 O ATOM 2059 OE2 GLU B 27 7.996 -11.611 15.811 1.00 2.74 O ATOM 0 H GLU B 27 4.153 -13.384 15.742 1.00 1.16 H new ATOM 0 HA GLU B 27 5.117 -15.392 17.666 1.00 1.21 H new ATOM 0 HB2 GLU B 27 5.574 -12.393 17.262 1.00 1.35 H new ATOM 0 HB3 GLU B 27 6.376 -13.348 18.493 1.00 1.35 H new ATOM 0 HG2 GLU B 27 7.538 -14.674 16.749 1.00 1.56 H new ATOM 0 HG3 GLU B 27 6.687 -13.802 15.489 1.00 1.56 H new ATOM 2066 N GLY B 28 3.506 -12.766 18.837 1.00 1.56 N ATOM 2067 CA GLY B 28 2.283 -12.209 19.370 1.00 1.77 C ATOM 2068 C GLY B 28 1.323 -11.857 18.243 1.00 1.38 C ATOM 2069 O GLY B 28 1.764 -11.629 17.110 1.00 1.39 O ATOM 0 H GLY B 28 4.178 -12.036 18.603 1.00 1.56 H new ATOM 0 HA2 GLY B 28 1.814 -12.925 20.045 1.00 1.77 H new ATOM 0 HA3 GLY B 28 2.507 -11.318 19.956 1.00 1.77 H new ATOM 2073 N ARG B 29 0.071 -11.583 18.625 1.00 1.46 N ATOM 2074 CA ARG B 29 -0.728 -10.479 18.099 1.00 1.39 C ATOM 2075 C ARG B 29 -0.830 -10.463 16.575 1.00 1.24 C ATOM 2076 O ARG B 29 0.091 -10.031 15.870 1.00 1.13 O ATOM 2077 CB ARG B 29 -0.193 -9.155 18.651 1.00 1.41 C ATOM 2078 CG ARG B 29 -1.139 -7.981 18.367 1.00 2.11 C ATOM 2079 CD ARG B 29 -0.571 -6.686 18.952 1.00 1.94 C ATOM 2080 NE ARG B 29 -0.737 -6.576 20.409 1.00 2.18 N ATOM 2081 CZ ARG B 29 -0.223 -5.555 21.118 1.00 2.81 C ATOM 2082 NH1 ARG B 29 0.436 -4.589 20.481 1.00 3.59 N ATOM 2083 NH2 ARG B 29 -0.363 -5.502 22.446 1.00 3.60 N ATOM 0 H ARG B 29 -0.423 -12.137 19.324 1.00 1.46 H new ATOM 0 HA ARG B 29 -1.752 -10.627 18.441 1.00 1.39 H new ATOM 0 HB2 ARG B 29 -0.044 -9.246 19.727 1.00 1.41 H new ATOM 0 HB3 ARG B 29 0.782 -8.948 18.210 1.00 1.41 H new ATOM 0 HG2 ARG B 29 -1.280 -7.871 17.292 1.00 2.11 H new ATOM 0 HG3 ARG B 29 -2.120 -8.183 18.798 1.00 2.11 H new ATOM 0 HD2 ARG B 29 0.490 -6.622 18.710 1.00 1.94 H new ATOM 0 HD3 ARG B 29 -1.059 -5.837 18.474 1.00 1.94 H new ATOM 0 HE ARG B 29 -1.261 -7.300 20.900 1.00 2.18 H new ATOM 0 HH11 ARG B 29 0.546 -4.629 19.468 1.00 3.59 H new ATOM 0 HH12 ARG B 29 0.831 -3.809 21.006 1.00 3.59 H new ATOM 0 HH21 ARG B 29 -0.865 -6.242 22.936 1.00 3.60 H new ATOM 0 HH22 ARG B 29 0.032 -4.721 22.970 1.00 3.60 H new ATOM 2097 N LYS B 30 -1.965 -10.938 16.073 1.00 1.32 N ATOM 2098 CA LYS B 30 -2.195 -11.096 14.652 1.00 1.27 C ATOM 2099 C LYS B 30 -2.110 -9.783 13.871 1.00 1.31 C ATOM 2100 O LYS B 30 -1.597 -9.763 12.760 1.00 2.30 O ATOM 2101 CB LYS B 30 -3.521 -11.841 14.431 1.00 1.47 C ATOM 2102 CG LYS B 30 -4.736 -11.009 14.875 1.00 1.74 C ATOM 2103 CD LYS B 30 -5.940 -11.898 15.220 1.00 2.01 C ATOM 2104 CE LYS B 30 -7.219 -11.091 15.511 1.00 2.72 C ATOM 2105 NZ LYS B 30 -6.994 -9.938 16.409 1.00 3.89 N ATOM 0 H LYS B 30 -2.755 -11.225 16.651 1.00 1.32 H new ATOM 0 HA LYS B 30 -1.384 -11.699 14.243 1.00 1.27 H new ATOM 0 HB2 LYS B 30 -3.622 -12.094 13.376 1.00 1.47 H new ATOM 0 HB3 LYS B 30 -3.504 -12.780 14.984 1.00 1.47 H new ATOM 0 HG2 LYS B 30 -4.467 -10.408 15.744 1.00 1.74 H new ATOM 0 HG3 LYS B 30 -5.012 -10.316 14.080 1.00 1.74 H new ATOM 0 HD2 LYS B 30 -6.129 -12.582 14.393 1.00 2.01 H new ATOM 0 HD3 LYS B 30 -5.697 -12.509 16.089 1.00 2.01 H new ATOM 0 HE2 LYS B 30 -7.636 -10.733 14.570 1.00 2.72 H new ATOM 0 HE3 LYS B 30 -7.962 -11.751 15.958 1.00 2.72 H new ATOM 0 HZ1 LYS B 30 -7.876 -9.711 16.910 1.00 3.89 H new ATOM 0 HZ2 LYS B 30 -6.254 -10.176 17.100 1.00 3.89 H new ATOM 0 HZ3 LYS B 30 -6.693 -9.115 15.849 1.00 3.89 H new ATOM 2119 N ASP B 31 -2.622 -8.690 14.438 1.00 1.49 N ATOM 2120 CA ASP B 31 -2.810 -7.454 13.694 1.00 1.60 C ATOM 2121 C ASP B 31 -1.511 -6.658 13.498 1.00 1.48 C ATOM 2122 O ASP B 31 -1.469 -5.805 12.614 1.00 1.61 O ATOM 2123 CB ASP B 31 -3.915 -6.619 14.354 1.00 2.03 C ATOM 2124 CG ASP B 31 -5.277 -7.284 14.217 1.00 3.41 C ATOM 2125 OD1 ASP B 31 -5.622 -8.092 15.109 1.00 4.22 O ATOM 2126 OD2 ASP B 31 -5.955 -7.023 13.195 1.00 4.60 O ATOM 0 H ASP B 31 -2.913 -8.640 15.414 1.00 1.49 H new ATOM 0 HA ASP B 31 -3.126 -7.718 12.685 1.00 1.60 H new ATOM 0 HB2 ASP B 31 -3.683 -6.477 15.410 1.00 2.03 H new ATOM 0 HB3 ASP B 31 -3.945 -5.629 13.898 1.00 2.03 H new ATOM 2131 N SER B 32 -0.461 -6.900 14.295 1.00 1.43 N ATOM 2132 CA SER B 32 0.810 -6.184 14.170 1.00 1.39 C ATOM 2133 C SER B 32 1.997 -7.146 14.127 1.00 1.13 C ATOM 2134 O SER B 32 1.900 -8.316 14.532 1.00 1.17 O ATOM 2135 CB SER B 32 0.971 -5.165 15.304 1.00 1.67 C ATOM 2136 OG SER B 32 1.037 -5.819 16.550 1.00 1.70 O ATOM 0 H SER B 32 -0.471 -7.596 15.041 1.00 1.43 H new ATOM 0 HA SER B 32 0.794 -5.645 13.223 1.00 1.39 H new ATOM 0 HB2 SER B 32 1.875 -4.577 15.147 1.00 1.67 H new ATOM 0 HB3 SER B 32 0.133 -4.468 15.296 1.00 1.67 H new ATOM 0 HG SER B 32 1.276 -5.173 17.246 1.00 1.70 H new ATOM 2142 N LEU B 33 3.126 -6.646 13.619 1.00 1.08 N ATOM 2143 CA LEU B 33 4.360 -7.395 13.477 1.00 1.13 C ATOM 2144 C LEU B 33 5.453 -6.858 14.390 1.00 1.08 C ATOM 2145 O LEU B 33 5.373 -5.741 14.902 1.00 1.34 O ATOM 2146 CB LEU B 33 4.802 -7.464 12.009 1.00 1.25 C ATOM 2147 CG LEU B 33 3.771 -8.178 11.119 1.00 1.35 C ATOM 2148 CD1 LEU B 33 2.736 -7.201 10.551 1.00 2.19 C ATOM 2149 CD2 LEU B 33 4.484 -8.936 9.994 1.00 2.20 C ATOM 0 H LEU B 33 3.201 -5.684 13.289 1.00 1.08 H new ATOM 0 HA LEU B 33 4.167 -8.419 13.798 1.00 1.13 H new ATOM 0 HB2 LEU B 33 4.964 -6.454 11.633 1.00 1.25 H new ATOM 0 HB3 LEU B 33 5.757 -7.985 11.944 1.00 1.25 H new ATOM 0 HG LEU B 33 3.229 -8.893 11.738 1.00 1.35 H new ATOM 0 HD11 LEU B 33 2.026 -7.745 9.928 1.00 2.19 H new ATOM 0 HD12 LEU B 33 2.204 -6.718 11.370 1.00 2.19 H new ATOM 0 HD13 LEU B 33 3.241 -6.445 9.950 1.00 2.19 H new ATOM 0 HD21 LEU B 33 3.746 -9.438 9.369 1.00 2.20 H new ATOM 0 HD22 LEU B 33 5.055 -8.234 9.387 1.00 2.20 H new ATOM 0 HD23 LEU B 33 5.159 -9.676 10.425 1.00 2.20 H new ATOM 2161 N SER B 34 6.459 -7.704 14.594 1.00 1.08 N ATOM 2162 CA SER B 34 7.622 -7.493 15.432 1.00 1.04 C ATOM 2163 C SER B 34 8.800 -8.104 14.673 1.00 1.04 C ATOM 2164 O SER B 34 8.597 -8.752 13.643 1.00 1.40 O ATOM 2165 CB SER B 34 7.382 -8.175 16.784 1.00 1.39 C ATOM 2166 OG SER B 34 6.132 -7.755 17.306 1.00 2.46 O ATOM 0 H SER B 34 6.478 -8.619 14.143 1.00 1.08 H new ATOM 0 HA SER B 34 7.822 -6.441 15.637 1.00 1.04 H new ATOM 0 HB2 SER B 34 7.394 -9.258 16.665 1.00 1.39 H new ATOM 0 HB3 SER B 34 8.183 -7.922 17.479 1.00 1.39 H new ATOM 0 HG SER B 34 5.975 -8.191 18.170 1.00 2.46 H new ATOM 2172 N VAL B 35 10.036 -7.886 15.121 1.00 0.90 N ATOM 2173 CA VAL B 35 11.186 -8.271 14.314 1.00 0.84 C ATOM 2174 C VAL B 35 11.627 -9.716 14.592 1.00 1.10 C ATOM 2175 O VAL B 35 12.817 -9.997 14.712 1.00 2.24 O ATOM 2176 CB VAL B 35 12.303 -7.220 14.466 1.00 1.22 C ATOM 2177 CG1 VAL B 35 11.817 -5.864 13.932 1.00 2.87 C ATOM 2178 CG2 VAL B 35 12.788 -7.038 15.911 1.00 2.32 C ATOM 0 H VAL B 35 10.261 -7.455 16.018 1.00 0.90 H new ATOM 0 HA VAL B 35 10.905 -8.278 13.261 1.00 0.84 H new ATOM 0 HB VAL B 35 13.149 -7.593 13.888 1.00 1.22 H new ATOM 0 HG11 VAL B 35 12.610 -5.124 14.042 1.00 2.87 H new ATOM 0 HG12 VAL B 35 11.554 -5.961 12.879 1.00 2.87 H new ATOM 0 HG13 VAL B 35 10.941 -5.543 14.496 1.00 2.87 H new ATOM 0 HG21 VAL B 35 13.574 -6.283 15.939 1.00 2.32 H new ATOM 0 HG22 VAL B 35 11.955 -6.718 16.537 1.00 2.32 H new ATOM 0 HG23 VAL B 35 13.180 -7.984 16.285 1.00 2.32 H new ATOM 2188 N ASN B 36 10.679 -10.651 14.471 1.00 0.98 N ATOM 2189 CA ASN B 36 10.900 -11.980 13.910 1.00 0.99 C ATOM 2190 C ASN B 36 9.554 -12.417 13.320 1.00 0.90 C ATOM 2191 O ASN B 36 9.026 -13.500 13.574 1.00 1.32 O ATOM 2192 CB ASN B 36 11.445 -12.941 14.976 1.00 1.42 C ATOM 2193 CG ASN B 36 12.044 -14.204 14.362 1.00 1.60 C ATOM 2194 OD1 ASN B 36 13.255 -14.400 14.394 1.00 2.13 O ATOM 2195 ND2 ASN B 36 11.219 -15.075 13.795 1.00 1.69 N ATOM 0 H ASN B 36 9.716 -10.497 14.769 1.00 0.98 H new ATOM 0 HA ASN B 36 11.660 -11.980 13.128 1.00 0.99 H new ATOM 0 HB2 ASN B 36 12.205 -12.431 15.568 1.00 1.42 H new ATOM 0 HB3 ASN B 36 10.641 -13.217 15.659 1.00 1.42 H new ATOM 0 HD21 ASN B 36 11.588 -15.928 13.374 1.00 1.69 H new ATOM 0 HD22 ASN B 36 10.216 -14.892 13.780 1.00 1.69 H new ATOM 2202 N GLU B 37 9.054 -11.537 12.455 1.00 0.74 N ATOM 2203 CA GLU B 37 7.763 -11.572 11.791 1.00 0.75 C ATOM 2204 C GLU B 37 7.918 -10.644 10.595 1.00 0.73 C ATOM 2205 O GLU B 37 7.787 -11.054 9.444 1.00 0.84 O ATOM 2206 CB GLU B 37 6.659 -11.040 12.730 1.00 0.86 C ATOM 2207 CG GLU B 37 5.596 -12.094 13.010 1.00 0.83 C ATOM 2208 CD GLU B 37 4.441 -11.523 13.829 1.00 1.00 C ATOM 2209 OE1 GLU B 37 3.750 -10.592 13.383 1.00 1.73 O ATOM 2210 OE2 GLU B 37 4.099 -11.946 14.950 1.00 1.52 O ATOM 0 H GLU B 37 9.591 -10.714 12.181 1.00 0.74 H new ATOM 0 HA GLU B 37 7.478 -12.584 11.502 1.00 0.75 H new ATOM 0 HB2 GLU B 37 7.106 -10.717 13.670 1.00 0.86 H new ATOM 0 HB3 GLU B 37 6.192 -10.163 12.281 1.00 0.86 H new ATOM 0 HG2 GLU B 37 5.215 -12.487 12.067 1.00 0.83 H new ATOM 0 HG3 GLU B 37 6.044 -12.930 13.546 1.00 0.83 H new ATOM 2217 N PHE B 38 8.256 -9.387 10.902 1.00 0.72 N ATOM 2218 CA PHE B 38 8.501 -8.363 9.906 1.00 0.83 C ATOM 2219 C PHE B 38 9.590 -8.815 8.939 1.00 0.87 C ATOM 2220 O PHE B 38 9.359 -8.934 7.736 1.00 0.95 O ATOM 2221 CB PHE B 38 8.885 -7.041 10.586 1.00 0.93 C ATOM 2222 CG PHE B 38 8.983 -5.924 9.572 1.00 0.84 C ATOM 2223 CD1 PHE B 38 7.785 -5.400 9.062 1.00 1.91 C ATOM 2224 CD2 PHE B 38 10.194 -5.683 8.895 1.00 1.91 C ATOM 2225 CE1 PHE B 38 7.769 -4.746 7.819 1.00 1.90 C ATOM 2226 CE2 PHE B 38 10.182 -5.012 7.660 1.00 2.12 C ATOM 2227 CZ PHE B 38 8.962 -4.605 7.097 1.00 1.26 C ATOM 0 H PHE B 38 8.366 -9.058 11.861 1.00 0.72 H new ATOM 0 HA PHE B 38 7.587 -8.200 9.336 1.00 0.83 H new ATOM 0 HB2 PHE B 38 8.143 -6.787 11.343 1.00 0.93 H new ATOM 0 HB3 PHE B 38 9.839 -7.155 11.101 1.00 0.93 H new ATOM 0 HD1 PHE B 38 6.871 -5.500 9.628 1.00 1.91 H new ATOM 0 HD2 PHE B 38 11.129 -6.013 9.323 1.00 1.91 H new ATOM 0 HE1 PHE B 38 6.844 -4.355 7.422 1.00 1.90 H new ATOM 0 HE2 PHE B 38 11.110 -4.810 7.145 1.00 2.12 H new ATOM 0 HZ PHE B 38 8.943 -4.182 6.104 1.00 1.26 H new ATOM 2237 N LYS B 39 10.788 -9.084 9.475 1.00 0.91 N ATOM 2238 CA LYS B 39 11.916 -9.431 8.629 1.00 1.10 C ATOM 2239 C LYS B 39 11.576 -10.673 7.807 1.00 1.08 C ATOM 2240 O LYS B 39 11.973 -10.802 6.650 1.00 1.15 O ATOM 2241 CB LYS B 39 13.210 -9.611 9.439 1.00 1.17 C ATOM 2242 CG LYS B 39 14.262 -10.165 8.471 1.00 1.01 C ATOM 2243 CD LYS B 39 15.731 -9.953 8.834 1.00 1.38 C ATOM 2244 CE LYS B 39 16.565 -10.248 7.575 1.00 2.09 C ATOM 2245 NZ LYS B 39 16.393 -11.647 7.109 1.00 3.75 N ATOM 0 H LYS B 39 10.990 -9.066 10.475 1.00 0.91 H new ATOM 0 HA LYS B 39 12.105 -8.604 7.945 1.00 1.10 H new ATOM 0 HB2 LYS B 39 13.536 -8.661 9.863 1.00 1.17 H new ATOM 0 HB3 LYS B 39 13.053 -10.295 10.273 1.00 1.17 H new ATOM 0 HG2 LYS B 39 14.092 -11.237 8.366 1.00 1.01 H new ATOM 0 HG3 LYS B 39 14.089 -9.717 7.492 1.00 1.01 H new ATOM 0 HD2 LYS B 39 15.898 -8.931 9.174 1.00 1.38 H new ATOM 0 HD3 LYS B 39 16.023 -10.613 9.651 1.00 1.38 H new ATOM 0 HE2 LYS B 39 16.275 -9.562 6.779 1.00 2.09 H new ATOM 0 HE3 LYS B 39 17.618 -10.063 7.786 1.00 2.09 H new ATOM 0 HZ1 LYS B 39 17.104 -11.860 6.380 1.00 3.75 H new ATOM 0 HZ2 LYS B 39 16.514 -12.298 7.911 1.00 3.75 H new ATOM 0 HZ3 LYS B 39 15.441 -11.765 6.708 1.00 3.75 H new ATOM 2259 N GLU B 40 10.816 -11.590 8.391 1.00 0.99 N ATOM 2260 CA GLU B 40 10.541 -12.843 7.737 1.00 0.98 C ATOM 2261 C GLU B 40 9.765 -12.673 6.435 1.00 0.79 C ATOM 2262 O GLU B 40 9.847 -13.540 5.565 1.00 0.72 O ATOM 2263 CB GLU B 40 10.030 -13.867 8.752 1.00 1.11 C ATOM 2264 CG GLU B 40 11.102 -14.014 9.858 1.00 1.64 C ATOM 2265 CD GLU B 40 12.463 -14.449 9.304 1.00 3.66 C ATOM 2266 OE1 GLU B 40 12.639 -15.670 9.133 1.00 4.21 O ATOM 2267 OE2 GLU B 40 13.279 -13.551 8.979 1.00 5.27 O ATOM 0 H GLU B 40 10.386 -11.483 9.310 1.00 0.99 H new ATOM 0 HA GLU B 40 11.464 -13.285 7.363 1.00 0.98 H new ATOM 0 HB2 GLU B 40 9.082 -13.540 9.180 1.00 1.11 H new ATOM 0 HB3 GLU B 40 9.847 -14.826 8.268 1.00 1.11 H new ATOM 0 HG2 GLU B 40 11.213 -13.064 10.380 1.00 1.64 H new ATOM 0 HG3 GLU B 40 10.763 -14.744 10.593 1.00 1.64 H new ATOM 2274 N LEU B 41 9.109 -11.524 6.232 1.00 0.82 N ATOM 2275 CA LEU B 41 8.543 -11.209 4.936 1.00 0.85 C ATOM 2276 C LEU B 41 9.678 -11.124 3.917 1.00 0.80 C ATOM 2277 O LEU B 41 9.622 -11.778 2.878 1.00 0.80 O ATOM 2278 CB LEU B 41 7.745 -9.900 5.019 1.00 1.02 C ATOM 2279 CG LEU B 41 6.922 -9.624 3.748 1.00 1.09 C ATOM 2280 CD1 LEU B 41 5.754 -10.608 3.611 1.00 1.76 C ATOM 2281 CD2 LEU B 41 6.393 -8.190 3.786 1.00 1.84 C ATOM 0 H LEU B 41 8.963 -10.811 6.946 1.00 0.82 H new ATOM 0 HA LEU B 41 7.850 -11.988 4.618 1.00 0.85 H new ATOM 0 HB2 LEU B 41 7.076 -9.941 5.878 1.00 1.02 H new ATOM 0 HB3 LEU B 41 8.432 -9.071 5.189 1.00 1.02 H new ATOM 0 HG LEU B 41 7.573 -9.757 2.884 1.00 1.09 H new ATOM 0 HD11 LEU B 41 5.194 -10.384 2.703 1.00 1.76 H new ATOM 0 HD12 LEU B 41 6.140 -11.626 3.558 1.00 1.76 H new ATOM 0 HD13 LEU B 41 5.096 -10.514 4.475 1.00 1.76 H new ATOM 0 HD21 LEU B 41 5.810 -7.993 2.886 1.00 1.84 H new ATOM 0 HD22 LEU B 41 5.761 -8.059 4.664 1.00 1.84 H new ATOM 0 HD23 LEU B 41 7.231 -7.494 3.835 1.00 1.84 H new ATOM 2293 N VAL B 42 10.724 -10.348 4.229 1.00 0.79 N ATOM 2294 CA VAL B 42 11.809 -10.096 3.294 1.00 0.79 C ATOM 2295 C VAL B 42 12.639 -11.358 3.115 1.00 0.79 C ATOM 2296 O VAL B 42 12.991 -11.707 1.991 1.00 0.90 O ATOM 2297 CB VAL B 42 12.656 -8.860 3.651 1.00 0.82 C ATOM 2298 CG1 VAL B 42 11.884 -7.555 3.464 1.00 0.89 C ATOM 2299 CG2 VAL B 42 13.290 -8.833 5.038 1.00 0.89 C ATOM 0 H VAL B 42 10.835 -9.884 5.131 1.00 0.79 H new ATOM 0 HA VAL B 42 11.365 -9.841 2.332 1.00 0.79 H new ATOM 0 HB VAL B 42 13.476 -8.949 2.939 1.00 0.82 H new ATOM 0 HG11 VAL B 42 12.524 -6.713 3.728 1.00 0.89 H new ATOM 0 HG12 VAL B 42 11.573 -7.462 2.423 1.00 0.89 H new ATOM 0 HG13 VAL B 42 11.004 -7.558 4.107 1.00 0.89 H new ATOM 0 HG21 VAL B 42 13.858 -7.911 5.161 1.00 0.89 H new ATOM 0 HG22 VAL B 42 12.508 -8.881 5.796 1.00 0.89 H new ATOM 0 HG23 VAL B 42 13.957 -9.688 5.150 1.00 0.89 H new ATOM 2309 N THR B 43 12.922 -12.055 4.217 1.00 0.77 N ATOM 2310 CA THR B 43 13.576 -13.349 4.179 1.00 0.83 C ATOM 2311 C THR B 43 12.837 -14.291 3.216 1.00 0.86 C ATOM 2312 O THR B 43 13.455 -14.872 2.328 1.00 1.01 O ATOM 2313 CB THR B 43 13.606 -13.911 5.607 1.00 0.79 C ATOM 2314 OG1 THR B 43 14.131 -12.962 6.525 1.00 0.95 O ATOM 2315 CG2 THR B 43 14.422 -15.201 5.721 1.00 1.00 C ATOM 0 H THR B 43 12.701 -11.731 5.159 1.00 0.77 H new ATOM 0 HA THR B 43 14.597 -13.252 3.810 1.00 0.83 H new ATOM 0 HB THR B 43 12.568 -14.136 5.854 1.00 0.79 H new ATOM 0 HG1 THR B 43 13.968 -13.268 7.441 1.00 0.95 H new ATOM 0 HG21 THR B 43 14.407 -15.551 6.753 1.00 1.00 H new ATOM 0 HG22 THR B 43 13.990 -15.963 5.073 1.00 1.00 H new ATOM 0 HG23 THR B 43 15.451 -15.008 5.418 1.00 1.00 H new ATOM 2323 N GLN B 44 11.528 -14.485 3.426 1.00 0.80 N ATOM 2324 CA GLN B 44 10.769 -15.525 2.748 1.00 0.87 C ATOM 2325 C GLN B 44 10.302 -15.133 1.334 1.00 1.01 C ATOM 2326 O GLN B 44 10.579 -15.849 0.375 1.00 1.09 O ATOM 2327 CB GLN B 44 9.628 -15.979 3.671 1.00 0.85 C ATOM 2328 CG GLN B 44 8.997 -17.295 3.198 1.00 1.00 C ATOM 2329 CD GLN B 44 8.118 -17.903 4.286 1.00 1.22 C ATOM 2330 OE1 GLN B 44 8.371 -19.005 4.761 1.00 2.37 O ATOM 2331 NE2 GLN B 44 7.087 -17.179 4.706 1.00 1.32 N ATOM 0 H GLN B 44 10.973 -13.922 4.071 1.00 0.80 H new ATOM 0 HA GLN B 44 11.429 -16.372 2.561 1.00 0.87 H new ATOM 0 HB2 GLN B 44 10.009 -16.103 4.685 1.00 0.85 H new ATOM 0 HB3 GLN B 44 8.863 -15.204 3.711 1.00 0.85 H new ATOM 0 HG2 GLN B 44 8.402 -17.116 2.303 1.00 1.00 H new ATOM 0 HG3 GLN B 44 9.781 -18.000 2.923 1.00 1.00 H new ATOM 0 HE21 GLN B 44 6.902 -16.266 4.291 1.00 1.32 H new ATOM 0 HE22 GLN B 44 6.480 -17.536 5.444 1.00 1.32 H new ATOM 2340 N GLN B 45 9.524 -14.053 1.203 1.00 1.10 N ATOM 2341 CA GLN B 45 8.751 -13.769 -0.011 1.00 1.26 C ATOM 2342 C GLN B 45 9.567 -13.154 -1.156 1.00 1.34 C ATOM 2343 O GLN B 45 9.385 -13.545 -2.309 1.00 1.47 O ATOM 2344 CB GLN B 45 7.573 -12.837 0.327 1.00 1.43 C ATOM 2345 CG GLN B 45 6.292 -13.602 0.703 1.00 1.55 C ATOM 2346 CD GLN B 45 5.309 -13.808 -0.456 1.00 2.37 C ATOM 2347 OE1 GLN B 45 5.475 -13.267 -1.549 1.00 3.89 O ATOM 2348 NE2 GLN B 45 4.251 -14.567 -0.186 1.00 2.36 N ATOM 0 H GLN B 45 9.413 -13.352 1.935 1.00 1.10 H new ATOM 0 HA GLN B 45 8.401 -14.737 -0.370 1.00 1.26 H new ATOM 0 HB2 GLN B 45 7.857 -12.186 1.154 1.00 1.43 H new ATOM 0 HB3 GLN B 45 7.368 -12.194 -0.529 1.00 1.43 H new ATOM 0 HG2 GLN B 45 6.571 -14.577 1.103 1.00 1.55 H new ATOM 0 HG3 GLN B 45 5.784 -13.063 1.502 1.00 1.55 H new ATOM 0 HE21 GLN B 45 4.153 -14.997 0.734 1.00 2.36 H new ATOM 0 HE22 GLN B 45 3.538 -14.720 -0.899 1.00 2.36 H new ATOM 2357 N LEU B 46 10.355 -12.115 -0.848 1.00 1.29 N ATOM 2358 CA LEU B 46 10.679 -11.017 -1.769 1.00 1.25 C ATOM 2359 C LEU B 46 11.226 -11.438 -3.140 1.00 1.33 C ATOM 2360 O LEU B 46 10.867 -10.822 -4.141 1.00 1.48 O ATOM 2361 CB LEU B 46 11.558 -9.972 -1.068 1.00 1.53 C ATOM 2362 CG LEU B 46 10.761 -8.891 -0.311 1.00 1.30 C ATOM 2363 CD1 LEU B 46 10.296 -7.768 -1.235 1.00 2.14 C ATOM 2364 CD2 LEU B 46 9.516 -9.388 0.436 1.00 1.51 C ATOM 0 H LEU B 46 10.794 -12.012 0.067 1.00 1.29 H new ATOM 0 HA LEU B 46 9.724 -10.558 -2.025 1.00 1.25 H new ATOM 0 HB2 LEU B 46 12.219 -10.480 -0.366 1.00 1.53 H new ATOM 0 HB3 LEU B 46 12.192 -9.488 -1.811 1.00 1.53 H new ATOM 0 HG LEU B 46 11.485 -8.541 0.425 1.00 1.30 H new ATOM 0 HD11 LEU B 46 9.739 -7.030 -0.658 1.00 2.14 H new ATOM 0 HD12 LEU B 46 11.163 -7.292 -1.694 1.00 2.14 H new ATOM 0 HD13 LEU B 46 9.654 -8.180 -2.014 1.00 2.14 H new ATOM 0 HD21 LEU B 46 9.031 -8.548 0.933 1.00 1.51 H new ATOM 0 HD22 LEU B 46 8.822 -9.840 -0.273 1.00 1.51 H new ATOM 0 HD23 LEU B 46 9.809 -10.129 1.179 1.00 1.51 H new ATOM 2376 N PRO B 47 12.074 -12.469 -3.230 1.00 1.53 N ATOM 2377 CA PRO B 47 13.347 -12.496 -2.535 1.00 1.33 C ATOM 2378 C PRO B 47 14.252 -11.369 -3.069 1.00 1.28 C ATOM 2379 O PRO B 47 14.977 -10.736 -2.307 1.00 1.50 O ATOM 2380 CB PRO B 47 13.921 -13.876 -2.868 1.00 1.63 C ATOM 2381 CG PRO B 47 13.402 -14.160 -4.281 1.00 2.21 C ATOM 2382 CD PRO B 47 12.061 -13.423 -4.330 1.00 2.31 C ATOM 0 HA PRO B 47 13.260 -12.340 -1.460 1.00 1.33 H new ATOM 0 HB2 PRO B 47 15.011 -13.874 -2.836 1.00 1.63 H new ATOM 0 HB3 PRO B 47 13.582 -14.631 -2.159 1.00 1.63 H new ATOM 0 HG2 PRO B 47 14.090 -13.791 -5.042 1.00 2.21 H new ATOM 0 HG3 PRO B 47 13.278 -15.229 -4.455 1.00 2.21 H new ATOM 0 HD2 PRO B 47 11.933 -12.913 -5.285 1.00 2.31 H new ATOM 0 HD3 PRO B 47 11.230 -14.121 -4.228 1.00 2.31 H new ATOM 2390 N HIS B 48 14.220 -11.133 -4.388 1.00 1.41 N ATOM 2391 CA HIS B 48 15.167 -10.294 -5.114 1.00 1.59 C ATOM 2392 C HIS B 48 14.728 -8.828 -5.163 1.00 1.54 C ATOM 2393 O HIS B 48 15.569 -7.937 -5.236 1.00 2.16 O ATOM 2394 CB HIS B 48 15.329 -10.861 -6.530 1.00 1.88 C ATOM 2395 CG HIS B 48 16.482 -10.257 -7.290 1.00 2.25 C ATOM 2396 ND1 HIS B 48 17.779 -10.719 -7.286 1.00 3.56 N ATOM 2397 CD2 HIS B 48 16.439 -9.149 -8.096 1.00 2.34 C ATOM 2398 CE1 HIS B 48 18.500 -9.906 -8.077 1.00 3.52 C ATOM 2399 NE2 HIS B 48 17.729 -8.935 -8.594 1.00 2.63 N ATOM 0 H HIS B 48 13.507 -11.538 -4.994 1.00 1.41 H new ATOM 0 HA HIS B 48 16.122 -10.309 -4.588 1.00 1.59 H new ATOM 0 HB2 HIS B 48 15.471 -11.940 -6.467 1.00 1.88 H new ATOM 0 HB3 HIS B 48 14.408 -10.693 -7.088 1.00 1.88 H new ATOM 0 HD2 HIS B 48 15.566 -8.549 -8.308 1.00 2.34 H new ATOM 0 HE1 HIS B 48 19.557 -10.018 -8.271 1.00 3.52 H new ATOM 0 HE2 HIS B 48 18.025 -8.190 -9.224 1.00 2.63 H new ATOM 2407 N LEU B 49 13.415 -8.581 -5.160 1.00 1.15 N ATOM 2408 CA LEU B 49 12.800 -7.263 -5.290 1.00 1.03 C ATOM 2409 C LEU B 49 13.461 -6.243 -4.357 1.00 0.98 C ATOM 2410 O LEU B 49 14.106 -5.304 -4.821 1.00 1.17 O ATOM 2411 CB LEU B 49 11.299 -7.465 -5.056 1.00 0.94 C ATOM 2412 CG LEU B 49 10.426 -6.277 -5.463 1.00 0.85 C ATOM 2413 CD1 LEU B 49 10.396 -6.086 -6.978 1.00 0.97 C ATOM 2414 CD2 LEU B 49 8.990 -6.583 -5.049 1.00 0.96 C ATOM 0 H LEU B 49 12.726 -9.327 -5.063 1.00 1.15 H new ATOM 0 HA LEU B 49 12.948 -6.833 -6.281 1.00 1.03 H new ATOM 0 HB2 LEU B 49 10.973 -8.345 -5.610 1.00 0.94 H new ATOM 0 HB3 LEU B 49 11.134 -7.675 -3.999 1.00 0.94 H new ATOM 0 HG LEU B 49 10.834 -5.385 -4.987 1.00 0.85 H new ATOM 0 HD11 LEU B 49 9.765 -5.232 -7.225 1.00 0.97 H new ATOM 0 HD12 LEU B 49 11.408 -5.907 -7.342 1.00 0.97 H new ATOM 0 HD13 LEU B 49 9.994 -6.983 -7.450 1.00 0.97 H new ATOM 0 HD21 LEU B 49 8.345 -5.750 -5.328 1.00 0.96 H new ATOM 0 HD22 LEU B 49 8.651 -7.489 -5.552 1.00 0.96 H new ATOM 0 HD23 LEU B 49 8.946 -6.730 -3.970 1.00 0.96 H new ATOM 2426 N LEU B 50 13.371 -6.450 -3.041 1.00 0.89 N ATOM 2427 CA LEU B 50 14.236 -5.778 -2.083 1.00 0.94 C ATOM 2428 C LEU B 50 15.439 -6.672 -1.813 1.00 0.99 C ATOM 2429 O LEU B 50 15.568 -7.255 -0.735 1.00 1.66 O ATOM 2430 CB LEU B 50 13.471 -5.424 -0.804 1.00 1.07 C ATOM 2431 CG LEU B 50 12.596 -4.178 -0.985 1.00 0.90 C ATOM 2432 CD1 LEU B 50 11.806 -3.946 0.306 1.00 1.27 C ATOM 2433 CD2 LEU B 50 13.435 -2.921 -1.268 1.00 1.28 C ATOM 0 H LEU B 50 12.697 -7.087 -2.616 1.00 0.89 H new ATOM 0 HA LEU B 50 14.588 -4.831 -2.493 1.00 0.94 H new ATOM 0 HB2 LEU B 50 12.845 -6.267 -0.511 1.00 1.07 H new ATOM 0 HB3 LEU B 50 14.179 -5.255 0.007 1.00 1.07 H new ATOM 0 HG LEU B 50 11.938 -4.349 -1.837 1.00 0.90 H new ATOM 0 HD11 LEU B 50 11.178 -3.062 0.194 1.00 1.27 H new ATOM 0 HD12 LEU B 50 11.179 -4.814 0.510 1.00 1.27 H new ATOM 0 HD13 LEU B 50 12.498 -3.796 1.134 1.00 1.27 H new ATOM 0 HD21 LEU B 50 12.775 -2.062 -1.389 1.00 1.28 H new ATOM 0 HD22 LEU B 50 14.114 -2.741 -0.434 1.00 1.28 H new ATOM 0 HD23 LEU B 50 14.012 -3.067 -2.181 1.00 1.28 H new ATOM 2445 N LYS B 51 16.320 -6.747 -2.814 1.00 1.11 N ATOM 2446 CA LYS B 51 17.602 -7.440 -2.745 1.00 1.34 C ATOM 2447 C LYS B 51 18.281 -7.167 -1.403 1.00 1.37 C ATOM 2448 O LYS B 51 18.135 -6.066 -0.867 1.00 1.79 O ATOM 2449 CB LYS B 51 18.505 -6.994 -3.919 1.00 1.63 C ATOM 2450 CG LYS B 51 19.066 -5.561 -3.792 1.00 1.84 C ATOM 2451 CD LYS B 51 20.477 -5.532 -3.163 1.00 3.13 C ATOM 2452 CE LYS B 51 20.744 -4.243 -2.354 1.00 4.02 C ATOM 2453 NZ LYS B 51 22.004 -4.289 -1.562 1.00 5.53 N ATOM 0 H LYS B 51 16.152 -6.312 -3.721 1.00 1.11 H new ATOM 0 HA LYS B 51 17.432 -8.514 -2.827 1.00 1.34 H new ATOM 0 HB2 LYS B 51 19.339 -7.690 -4.003 1.00 1.63 H new ATOM 0 HB3 LYS B 51 17.935 -7.066 -4.846 1.00 1.63 H new ATOM 0 HG2 LYS B 51 19.102 -5.100 -4.779 1.00 1.84 H new ATOM 0 HG3 LYS B 51 18.388 -4.961 -3.184 1.00 1.84 H new ATOM 0 HD2 LYS B 51 20.597 -6.397 -2.510 1.00 3.13 H new ATOM 0 HD3 LYS B 51 21.224 -5.622 -3.952 1.00 3.13 H new ATOM 0 HE2 LYS B 51 20.785 -3.396 -3.039 1.00 4.02 H new ATOM 0 HE3 LYS B 51 19.906 -4.067 -1.679 1.00 4.02 H new ATOM 0 HZ1 LYS B 51 22.496 -3.376 -1.639 1.00 5.53 H new ATOM 0 HZ2 LYS B 51 21.780 -4.479 -0.564 1.00 5.53 H new ATOM 0 HZ3 LYS B 51 22.617 -5.044 -1.929 1.00 5.53 H new ATOM 2467 N ASP B 52 19.040 -8.141 -0.876 1.00 1.70 N ATOM 2468 CA ASP B 52 19.856 -7.947 0.322 1.00 1.93 C ATOM 2469 C ASP B 52 18.897 -7.610 1.461 1.00 1.48 C ATOM 2470 O ASP B 52 19.110 -6.707 2.266 1.00 1.87 O ATOM 2471 CB ASP B 52 20.913 -6.889 -0.011 1.00 2.70 C ATOM 2472 CG ASP B 52 21.861 -6.458 1.080 1.00 3.35 C ATOM 2473 OD1 ASP B 52 22.080 -7.221 2.040 1.00 4.17 O ATOM 2474 OD2 ASP B 52 22.398 -5.351 0.828 1.00 3.86 O ATOM 0 H ASP B 52 19.102 -9.080 -1.270 1.00 1.70 H new ATOM 0 HA ASP B 52 20.415 -8.824 0.649 1.00 1.93 H new ATOM 0 HB2 ASP B 52 21.511 -7.266 -0.841 1.00 2.70 H new ATOM 0 HB3 ASP B 52 20.393 -6.001 -0.370 1.00 2.70 H new ATOM 2479 N VAL B 53 17.779 -8.349 1.442 1.00 1.18 N ATOM 2480 CA VAL B 53 16.602 -8.197 2.271 1.00 1.56 C ATOM 2481 C VAL B 53 16.326 -6.743 2.652 1.00 3.43 C ATOM 2482 O VAL B 53 16.100 -6.413 3.813 1.00 3.79 O ATOM 2483 CB VAL B 53 16.679 -9.169 3.449 1.00 1.34 C ATOM 2484 CG1 VAL B 53 16.393 -10.592 2.970 1.00 1.82 C ATOM 2485 CG2 VAL B 53 18.003 -9.081 4.219 1.00 2.85 C ATOM 0 H VAL B 53 17.679 -9.127 0.790 1.00 1.18 H new ATOM 0 HA VAL B 53 15.719 -8.470 1.693 1.00 1.56 H new ATOM 0 HB VAL B 53 15.910 -8.876 4.164 1.00 1.34 H new ATOM 0 HG11 VAL B 53 16.450 -11.279 3.815 1.00 1.82 H new ATOM 0 HG12 VAL B 53 15.395 -10.635 2.534 1.00 1.82 H new ATOM 0 HG13 VAL B 53 17.130 -10.878 2.220 1.00 1.82 H new ATOM 0 HG21 VAL B 53 17.994 -9.796 5.042 1.00 2.85 H new ATOM 0 HG22 VAL B 53 18.830 -9.311 3.548 1.00 2.85 H new ATOM 0 HG23 VAL B 53 18.127 -8.073 4.615 1.00 2.85 H new ATOM 2495 N GLY B 54 16.315 -5.874 1.643 1.00 4.96 N ATOM 2496 CA GLY B 54 15.946 -4.483 1.819 1.00 7.02 C ATOM 2497 C GLY B 54 16.903 -3.690 2.703 1.00 6.18 C ATOM 2498 O GLY B 54 16.509 -2.637 3.206 1.00 7.37 O ATOM 0 H GLY B 54 16.562 -6.120 0.685 1.00 4.96 H new ATOM 0 HA2 GLY B 54 15.893 -4.006 0.840 1.00 7.02 H new ATOM 0 HA3 GLY B 54 14.946 -4.436 2.251 1.00 7.02 H new ATOM 2502 N SER B 55 18.136 -4.177 2.901 1.00 4.29 N ATOM 2503 CA SER B 55 19.067 -3.665 3.901 1.00 3.39 C ATOM 2504 C SER B 55 18.297 -3.398 5.195 1.00 2.28 C ATOM 2505 O SER B 55 18.154 -2.254 5.622 1.00 1.96 O ATOM 2506 CB SER B 55 19.823 -2.444 3.357 1.00 3.47 C ATOM 2507 OG SER B 55 18.966 -1.549 2.669 1.00 5.03 O ATOM 0 H SER B 55 18.516 -4.952 2.357 1.00 4.29 H new ATOM 0 HA SER B 55 19.838 -4.400 4.131 1.00 3.39 H new ATOM 0 HB2 SER B 55 20.306 -1.920 4.182 1.00 3.47 H new ATOM 0 HB3 SER B 55 20.613 -2.778 2.684 1.00 3.47 H new ATOM 0 HG SER B 55 18.155 -1.400 3.199 1.00 5.03 H new ATOM 2513 N LEU B 56 17.723 -4.478 5.734 1.00 2.04 N ATOM 2514 CA LEU B 56 16.501 -4.506 6.500 1.00 1.51 C ATOM 2515 C LEU B 56 16.439 -3.397 7.550 1.00 1.58 C ATOM 2516 O LEU B 56 15.431 -2.702 7.634 1.00 1.41 O ATOM 2517 CB LEU B 56 16.374 -5.942 7.030 1.00 1.50 C ATOM 2518 CG LEU B 56 15.021 -6.341 7.622 1.00 1.24 C ATOM 2519 CD1 LEU B 56 15.042 -5.977 9.095 1.00 1.57 C ATOM 2520 CD2 LEU B 56 13.807 -5.728 6.921 1.00 0.79 C ATOM 0 H LEU B 56 18.135 -5.406 5.633 1.00 2.04 H new ATOM 0 HA LEU B 56 15.625 -4.276 5.894 1.00 1.51 H new ATOM 0 HB2 LEU B 56 16.603 -6.627 6.214 1.00 1.50 H new ATOM 0 HB3 LEU B 56 17.137 -6.091 7.794 1.00 1.50 H new ATOM 0 HG LEU B 56 14.896 -7.413 7.473 1.00 1.24 H new ATOM 0 HD11 LEU B 56 14.090 -6.248 9.550 1.00 1.57 H new ATOM 0 HD12 LEU B 56 15.849 -6.516 9.592 1.00 1.57 H new ATOM 0 HD13 LEU B 56 15.203 -4.904 9.202 1.00 1.57 H new ATOM 0 HD21 LEU B 56 12.894 -6.068 7.410 1.00 0.79 H new ATOM 0 HD22 LEU B 56 13.865 -4.641 6.977 1.00 0.79 H new ATOM 0 HD23 LEU B 56 13.795 -6.038 5.876 1.00 0.79 H new ATOM 2532 N ASP B 57 17.514 -3.206 8.317 1.00 1.92 N ATOM 2533 CA ASP B 57 17.703 -2.146 9.301 1.00 2.13 C ATOM 2534 C ASP B 57 17.168 -0.787 8.823 1.00 1.99 C ATOM 2535 O ASP B 57 16.449 -0.110 9.561 1.00 1.85 O ATOM 2536 CB ASP B 57 19.198 -2.048 9.639 1.00 2.81 C ATOM 2537 CG ASP B 57 19.779 -3.386 10.080 1.00 2.51 C ATOM 2538 OD1 ASP B 57 19.747 -4.310 9.232 1.00 3.25 O ATOM 2539 OD2 ASP B 57 20.223 -3.461 11.244 1.00 3.06 O ATOM 0 H ASP B 57 18.322 -3.826 8.262 1.00 1.92 H new ATOM 0 HA ASP B 57 17.127 -2.403 10.190 1.00 2.13 H new ATOM 0 HB2 ASP B 57 19.743 -1.687 8.766 1.00 2.81 H new ATOM 0 HB3 ASP B 57 19.342 -1.313 10.431 1.00 2.81 H new ATOM 2544 N GLU B 58 17.512 -0.393 7.588 1.00 2.13 N ATOM 2545 CA GLU B 58 17.017 0.834 6.975 1.00 2.18 C ATOM 2546 C GLU B 58 15.496 0.840 7.017 1.00 1.71 C ATOM 2547 O GLU B 58 14.885 1.740 7.593 1.00 1.55 O ATOM 2548 CB GLU B 58 17.510 0.982 5.524 1.00 2.60 C ATOM 2549 CG GLU B 58 17.042 2.334 4.959 1.00 3.01 C ATOM 2550 CD GLU B 58 17.174 2.422 3.446 1.00 3.39 C ATOM 2551 OE1 GLU B 58 16.263 1.885 2.778 1.00 4.63 O ATOM 2552 OE2 GLU B 58 18.149 3.053 2.986 1.00 3.29 O ATOM 0 H GLU B 58 18.145 -0.924 6.989 1.00 2.13 H new ATOM 0 HA GLU B 58 17.405 1.681 7.540 1.00 2.18 H new ATOM 0 HB2 GLU B 58 18.598 0.918 5.490 1.00 2.60 H new ATOM 0 HB3 GLU B 58 17.124 0.167 4.912 1.00 2.60 H new ATOM 0 HG2 GLU B 58 16.001 2.498 5.238 1.00 3.01 H new ATOM 0 HG3 GLU B 58 17.624 3.134 5.416 1.00 3.01 H new ATOM 2559 N LYS B 59 14.884 -0.157 6.375 1.00 1.57 N ATOM 2560 CA LYS B 59 13.443 -0.198 6.276 1.00 1.31 C ATOM 2561 C LYS B 59 12.843 -0.263 7.681 1.00 0.94 C ATOM 2562 O LYS B 59 11.944 0.512 7.966 1.00 0.90 O ATOM 2563 CB LYS B 59 12.956 -1.293 5.309 1.00 1.41 C ATOM 2564 CG LYS B 59 12.559 -0.700 3.938 1.00 2.29 C ATOM 2565 CD LYS B 59 13.764 -0.213 3.115 1.00 2.20 C ATOM 2566 CE LYS B 59 13.420 0.832 2.034 1.00 3.75 C ATOM 2567 NZ LYS B 59 12.302 0.441 1.133 1.00 5.18 N ATOM 0 H LYS B 59 15.367 -0.934 5.924 1.00 1.57 H new ATOM 0 HA LYS B 59 13.077 0.722 5.820 1.00 1.31 H new ATOM 0 HB2 LYS B 59 13.742 -2.035 5.172 1.00 1.41 H new ATOM 0 HB3 LYS B 59 12.101 -1.811 5.744 1.00 1.41 H new ATOM 0 HG2 LYS B 59 12.018 -1.454 3.366 1.00 2.29 H new ATOM 0 HG3 LYS B 59 11.874 0.133 4.095 1.00 2.29 H new ATOM 0 HD2 LYS B 59 14.502 0.214 3.793 1.00 2.20 H new ATOM 0 HD3 LYS B 59 14.232 -1.073 2.635 1.00 2.20 H new ATOM 0 HE2 LYS B 59 13.164 1.772 2.523 1.00 3.75 H new ATOM 0 HE3 LYS B 59 14.308 1.018 1.431 1.00 3.75 H new ATOM 0 HZ1 LYS B 59 12.567 0.635 0.146 1.00 5.18 H new ATOM 0 HZ2 LYS B 59 12.104 -0.574 1.246 1.00 5.18 H new ATOM 0 HZ3 LYS B 59 11.452 0.989 1.377 1.00 5.18 H new ATOM 2581 N MET B 60 13.368 -1.094 8.584 1.00 0.90 N ATOM 2582 CA MET B 60 12.915 -1.150 9.975 1.00 0.89 C ATOM 2583 C MET B 60 12.814 0.259 10.563 1.00 0.93 C ATOM 2584 O MET B 60 11.733 0.701 10.957 1.00 0.82 O ATOM 2585 CB MET B 60 13.885 -1.984 10.830 1.00 1.38 C ATOM 2586 CG MET B 60 13.392 -3.411 11.078 1.00 1.95 C ATOM 2587 SD MET B 60 14.570 -4.483 11.951 1.00 3.59 S ATOM 2588 CE MET B 60 14.969 -3.496 13.412 1.00 3.79 C ATOM 0 H MET B 60 14.121 -1.748 8.370 1.00 0.90 H new ATOM 0 HA MET B 60 11.931 -1.619 9.986 1.00 0.89 H new ATOM 0 HB2 MET B 60 14.855 -2.022 10.335 1.00 1.38 H new ATOM 0 HB3 MET B 60 14.035 -1.486 11.788 1.00 1.38 H new ATOM 0 HG2 MET B 60 12.468 -3.366 11.654 1.00 1.95 H new ATOM 0 HG3 MET B 60 13.148 -3.868 10.119 1.00 1.95 H new ATOM 0 HE1 MET B 60 15.522 -4.108 14.124 1.00 3.79 H new ATOM 0 HE2 MET B 60 15.578 -2.641 13.118 1.00 3.79 H new ATOM 0 HE3 MET B 60 14.048 -3.143 13.876 1.00 3.79 H new ATOM 2598 N LYS B 61 13.944 0.966 10.605 1.00 1.15 N ATOM 2599 CA LYS B 61 14.010 2.278 11.227 1.00 1.21 C ATOM 2600 C LYS B 61 13.109 3.270 10.486 1.00 1.11 C ATOM 2601 O LYS B 61 12.475 4.122 11.105 1.00 1.11 O ATOM 2602 CB LYS B 61 15.476 2.723 11.297 1.00 1.49 C ATOM 2603 CG LYS B 61 15.670 3.892 12.274 1.00 2.52 C ATOM 2604 CD LYS B 61 17.150 4.258 12.468 1.00 2.98 C ATOM 2605 CE LYS B 61 17.949 3.114 13.120 1.00 2.88 C ATOM 2606 NZ LYS B 61 19.309 3.531 13.517 1.00 3.91 N ATOM 0 H LYS B 61 14.828 0.645 10.211 1.00 1.15 H new ATOM 0 HA LYS B 61 13.630 2.236 12.248 1.00 1.21 H new ATOM 0 HB2 LYS B 61 16.097 1.883 11.608 1.00 1.49 H new ATOM 0 HB3 LYS B 61 15.814 3.019 10.304 1.00 1.49 H new ATOM 0 HG2 LYS B 61 15.129 4.763 11.905 1.00 2.52 H new ATOM 0 HG3 LYS B 61 15.234 3.631 13.238 1.00 2.52 H new ATOM 0 HD2 LYS B 61 17.592 4.504 11.502 1.00 2.98 H new ATOM 0 HD3 LYS B 61 17.224 5.151 13.089 1.00 2.98 H new ATOM 0 HE2 LYS B 61 17.412 2.754 13.997 1.00 2.88 H new ATOM 0 HE3 LYS B 61 18.017 2.279 12.423 1.00 2.88 H new ATOM 0 HZ1 LYS B 61 19.806 2.727 13.950 1.00 3.91 H new ATOM 0 HZ2 LYS B 61 19.833 3.850 12.677 1.00 3.91 H new ATOM 0 HZ3 LYS B 61 19.247 4.310 14.203 1.00 3.91 H new ATOM 2620 N SER B 62 13.039 3.151 9.157 1.00 1.11 N ATOM 2621 CA SER B 62 12.156 3.961 8.335 1.00 1.17 C ATOM 2622 C SER B 62 10.687 3.703 8.680 1.00 1.02 C ATOM 2623 O SER B 62 9.895 4.640 8.670 1.00 1.17 O ATOM 2624 CB SER B 62 12.422 3.685 6.849 1.00 1.37 C ATOM 2625 OG SER B 62 11.739 4.629 6.038 1.00 2.69 O ATOM 0 H SER B 62 13.599 2.485 8.625 1.00 1.11 H new ATOM 0 HA SER B 62 12.363 5.011 8.541 1.00 1.17 H new ATOM 0 HB2 SER B 62 13.493 3.733 6.650 1.00 1.37 H new ATOM 0 HB3 SER B 62 12.096 2.676 6.596 1.00 1.37 H new ATOM 0 HG SER B 62 12.043 4.543 5.110 1.00 2.69 H new ATOM 2631 N LEU B 63 10.301 2.444 8.906 1.00 0.83 N ATOM 2632 CA LEU B 63 8.923 2.005 9.089 1.00 0.79 C ATOM 2633 C LEU B 63 8.435 2.355 10.493 1.00 0.77 C ATOM 2634 O LEU B 63 7.375 2.954 10.650 1.00 0.88 O ATOM 2635 CB LEU B 63 8.825 0.483 8.886 1.00 0.73 C ATOM 2636 CG LEU B 63 9.076 0.006 7.445 1.00 0.86 C ATOM 2637 CD1 LEU B 63 9.470 -1.472 7.471 1.00 1.09 C ATOM 2638 CD2 LEU B 63 7.836 0.143 6.576 1.00 1.21 C ATOM 0 H LEU B 63 10.969 1.676 8.968 1.00 0.83 H new ATOM 0 HA LEU B 63 8.299 2.514 8.354 1.00 0.79 H new ATOM 0 HB2 LEU B 63 9.544 -0.004 9.545 1.00 0.73 H new ATOM 0 HB3 LEU B 63 7.833 0.153 9.195 1.00 0.73 H new ATOM 0 HG LEU B 63 9.868 0.627 7.026 1.00 0.86 H new ATOM 0 HD11 LEU B 63 9.650 -1.819 6.453 1.00 1.09 H new ATOM 0 HD12 LEU B 63 10.377 -1.596 8.062 1.00 1.09 H new ATOM 0 HD13 LEU B 63 8.664 -2.056 7.916 1.00 1.09 H new ATOM 0 HD21 LEU B 63 8.058 -0.205 5.567 1.00 1.21 H new ATOM 0 HD22 LEU B 63 7.029 -0.456 6.997 1.00 1.21 H new ATOM 0 HD23 LEU B 63 7.531 1.189 6.540 1.00 1.21 H new ATOM 2650 N ASP B 64 9.213 1.972 11.509 1.00 0.71 N ATOM 2651 CA ASP B 64 8.839 1.928 12.921 1.00 0.78 C ATOM 2652 C ASP B 64 8.261 3.224 13.523 1.00 0.89 C ATOM 2653 O ASP B 64 7.727 3.167 14.637 1.00 1.01 O ATOM 2654 CB ASP B 64 10.020 1.395 13.747 1.00 0.98 C ATOM 2655 CG ASP B 64 9.673 1.199 15.216 1.00 1.42 C ATOM 2656 OD1 ASP B 64 8.560 0.689 15.488 1.00 1.44 O ATOM 2657 OD2 ASP B 64 10.469 1.643 16.063 1.00 2.18 O ATOM 0 H ASP B 64 10.175 1.668 11.357 1.00 0.71 H new ATOM 0 HA ASP B 64 7.992 1.244 12.971 1.00 0.78 H new ATOM 0 HB2 ASP B 64 10.352 0.445 13.327 1.00 0.98 H new ATOM 0 HB3 ASP B 64 10.857 2.089 13.666 1.00 0.98 H new ATOM 2662 N VAL B 65 8.412 4.367 12.843 1.00 1.00 N ATOM 2663 CA VAL B 65 8.724 5.714 13.332 1.00 1.25 C ATOM 2664 C VAL B 65 8.119 6.136 14.674 1.00 1.46 C ATOM 2665 O VAL B 65 8.748 6.903 15.396 1.00 1.68 O ATOM 2666 CB VAL B 65 8.350 6.759 12.261 1.00 1.37 C ATOM 2667 CG1 VAL B 65 9.032 6.469 10.920 1.00 1.31 C ATOM 2668 CG2 VAL B 65 6.836 6.855 12.020 1.00 1.93 C ATOM 0 H VAL B 65 8.307 4.370 11.828 1.00 1.00 H new ATOM 0 HA VAL B 65 9.796 5.670 13.523 1.00 1.25 H new ATOM 0 HB VAL B 65 8.702 7.710 12.660 1.00 1.37 H new ATOM 0 HG11 VAL B 65 8.743 7.228 10.193 1.00 1.31 H new ATOM 0 HG12 VAL B 65 10.114 6.486 11.051 1.00 1.31 H new ATOM 0 HG13 VAL B 65 8.725 5.487 10.561 1.00 1.31 H new ATOM 0 HG21 VAL B 65 6.636 7.607 11.256 1.00 1.93 H new ATOM 0 HG22 VAL B 65 6.459 5.889 11.685 1.00 1.93 H new ATOM 0 HG23 VAL B 65 6.337 7.138 12.947 1.00 1.93 H new ATOM 2678 N ASN B 66 6.923 5.663 15.030 1.00 1.50 N ATOM 2679 CA ASN B 66 6.340 5.961 16.335 1.00 1.85 C ATOM 2680 C ASN B 66 7.145 5.344 17.491 1.00 2.08 C ATOM 2681 O ASN B 66 6.914 5.699 18.641 1.00 2.65 O ATOM 2682 CB ASN B 66 4.860 5.565 16.384 1.00 2.02 C ATOM 2683 CG ASN B 66 4.651 4.089 16.706 1.00 1.88 C ATOM 2684 OD1 ASN B 66 5.324 3.213 16.156 1.00 1.63 O ATOM 2685 ND2 ASN B 66 3.719 3.792 17.604 1.00 2.82 N ATOM 0 H ASN B 66 6.342 5.074 14.433 1.00 1.50 H new ATOM 0 HA ASN B 66 6.393 7.041 16.473 1.00 1.85 H new ATOM 0 HB2 ASN B 66 4.352 6.171 17.134 1.00 2.02 H new ATOM 0 HB3 ASN B 66 4.397 5.791 15.424 1.00 2.02 H new ATOM 0 HD21 ASN B 66 3.544 2.819 17.855 1.00 2.82 H new ATOM 0 HD22 ASN B 66 3.178 4.537 18.043 1.00 2.82 H new ATOM 2692 N GLN B 67 8.081 4.430 17.196 1.00 1.76 N ATOM 2693 CA GLN B 67 9.097 3.954 18.137 1.00 2.04 C ATOM 2694 C GLN B 67 8.500 3.265 19.362 1.00 2.15 C ATOM 2695 O GLN B 67 8.994 3.388 20.479 1.00 2.40 O ATOM 2696 CB GLN B 67 10.111 5.061 18.458 1.00 2.54 C ATOM 2697 CG GLN B 67 11.006 5.333 17.240 1.00 2.92 C ATOM 2698 CD GLN B 67 12.336 4.582 17.312 1.00 2.50 C ATOM 2699 OE1 GLN B 67 13.358 5.171 17.650 1.00 2.87 O ATOM 2700 NE2 GLN B 67 12.364 3.291 16.999 1.00 3.18 N ATOM 0 H GLN B 67 8.151 3.994 16.277 1.00 1.76 H new ATOM 0 HA GLN B 67 9.662 3.162 17.646 1.00 2.04 H new ATOM 0 HB2 GLN B 67 9.586 5.973 18.743 1.00 2.54 H new ATOM 0 HB3 GLN B 67 10.724 4.766 19.310 1.00 2.54 H new ATOM 0 HG2 GLN B 67 10.477 5.043 16.332 1.00 2.92 H new ATOM 0 HG3 GLN B 67 11.200 6.403 17.167 1.00 2.92 H new ATOM 0 HE21 GLN B 67 11.506 2.815 16.720 1.00 3.18 H new ATOM 0 HE22 GLN B 67 13.243 2.776 17.038 1.00 3.18 H new ATOM 2709 N ASP B 68 7.481 2.449 19.098 1.00 2.02 N ATOM 2710 CA ASP B 68 6.966 1.427 19.993 1.00 1.93 C ATOM 2711 C ASP B 68 7.640 0.070 19.744 1.00 1.70 C ATOM 2712 O ASP B 68 7.399 -0.875 20.488 1.00 2.18 O ATOM 2713 CB ASP B 68 5.447 1.311 19.792 1.00 1.88 C ATOM 2714 CG ASP B 68 5.049 0.999 18.360 1.00 1.56 C ATOM 2715 OD1 ASP B 68 5.942 0.732 17.522 1.00 1.36 O ATOM 2716 OD2 ASP B 68 3.854 1.155 18.038 1.00 2.05 O ATOM 0 H ASP B 68 6.973 2.488 18.214 1.00 2.02 H new ATOM 0 HA ASP B 68 7.187 1.716 21.021 1.00 1.93 H new ATOM 0 HB2 ASP B 68 5.060 0.530 20.447 1.00 1.88 H new ATOM 0 HB3 ASP B 68 4.975 2.245 20.097 1.00 1.88 H new ATOM 2721 N SER B 69 8.451 -0.051 18.683 1.00 1.53 N ATOM 2722 CA SER B 69 9.034 -1.304 18.214 1.00 1.41 C ATOM 2723 C SER B 69 7.997 -2.315 17.696 1.00 1.16 C ATOM 2724 O SER B 69 8.369 -3.453 17.409 1.00 1.26 O ATOM 2725 CB SER B 69 9.955 -1.919 19.275 1.00 1.57 C ATOM 2726 OG SER B 69 10.885 -0.953 19.726 1.00 2.64 O ATOM 0 H SER B 69 8.724 0.750 18.113 1.00 1.53 H new ATOM 0 HA SER B 69 9.641 -1.048 17.346 1.00 1.41 H new ATOM 0 HB2 SER B 69 9.363 -2.286 20.114 1.00 1.57 H new ATOM 0 HB3 SER B 69 10.482 -2.777 18.858 1.00 1.57 H new ATOM 0 HG SER B 69 11.469 -1.352 20.404 1.00 2.64 H new ATOM 2732 N GLU B 70 6.730 -1.916 17.521 1.00 1.07 N ATOM 2733 CA GLU B 70 5.745 -2.702 16.785 1.00 0.95 C ATOM 2734 C GLU B 70 5.631 -2.135 15.377 1.00 0.90 C ATOM 2735 O GLU B 70 5.879 -0.945 15.162 1.00 1.27 O ATOM 2736 CB GLU B 70 4.364 -2.651 17.453 1.00 1.19 C ATOM 2737 CG GLU B 70 4.294 -3.505 18.721 1.00 1.38 C ATOM 2738 CD GLU B 70 2.858 -3.657 19.201 1.00 2.11 C ATOM 2739 OE1 GLU B 70 2.043 -4.259 18.455 1.00 2.90 O ATOM 2740 OE2 GLU B 70 2.559 -3.199 20.327 1.00 2.62 O ATOM 0 H GLU B 70 6.364 -1.038 17.888 1.00 1.07 H new ATOM 0 HA GLU B 70 6.075 -3.741 16.769 1.00 0.95 H new ATOM 0 HB2 GLU B 70 4.122 -1.618 17.701 1.00 1.19 H new ATOM 0 HB3 GLU B 70 3.609 -2.994 16.746 1.00 1.19 H new ATOM 0 HG2 GLU B 70 4.721 -4.488 18.525 1.00 1.38 H new ATOM 0 HG3 GLU B 70 4.896 -3.047 19.505 1.00 1.38 H new ATOM 2747 N LEU B 71 5.227 -2.976 14.429 1.00 0.92 N ATOM 2748 CA LEU B 71 4.839 -2.583 13.088 1.00 0.94 C ATOM 2749 C LEU B 71 3.332 -2.840 12.986 1.00 1.01 C ATOM 2750 O LEU B 71 2.917 -3.965 12.706 1.00 1.03 O ATOM 2751 CB LEU B 71 5.637 -3.388 12.047 1.00 0.91 C ATOM 2752 CG LEU B 71 7.145 -3.085 11.942 1.00 0.90 C ATOM 2753 CD1 LEU B 71 7.416 -1.645 11.499 1.00 0.93 C ATOM 2754 CD2 LEU B 71 7.959 -3.421 13.197 1.00 1.11 C ATOM 0 H LEU B 71 5.160 -3.982 14.584 1.00 0.92 H new ATOM 0 HA LEU B 71 5.055 -1.533 12.890 1.00 0.94 H new ATOM 0 HB2 LEU B 71 5.518 -4.448 12.273 1.00 0.91 H new ATOM 0 HB3 LEU B 71 5.187 -3.218 11.069 1.00 0.91 H new ATOM 0 HG LEU B 71 7.496 -3.766 11.167 1.00 0.90 H new ATOM 0 HD11 LEU B 71 8.492 -1.479 11.439 1.00 0.93 H new ATOM 0 HD12 LEU B 71 6.968 -1.475 10.520 1.00 0.93 H new ATOM 0 HD13 LEU B 71 6.982 -0.954 12.222 1.00 0.93 H new ATOM 0 HD21 LEU B 71 9.007 -3.174 13.028 1.00 1.11 H new ATOM 0 HD22 LEU B 71 7.582 -2.844 14.041 1.00 1.11 H new ATOM 0 HD23 LEU B 71 7.868 -4.485 13.416 1.00 1.11 H new ATOM 2766 N LYS B 72 2.510 -1.821 13.260 1.00 1.11 N ATOM 2767 CA LYS B 72 1.051 -1.922 13.194 1.00 1.25 C ATOM 2768 C LYS B 72 0.559 -1.715 11.761 1.00 1.17 C ATOM 2769 O LYS B 72 1.360 -1.516 10.847 1.00 1.12 O ATOM 2770 CB LYS B 72 0.378 -0.985 14.208 1.00 1.57 C ATOM 2771 CG LYS B 72 0.361 0.494 13.785 1.00 1.52 C ATOM 2772 CD LYS B 72 -0.011 1.423 14.952 1.00 2.16 C ATOM 2773 CE LYS B 72 1.205 1.941 15.737 1.00 2.88 C ATOM 2774 NZ LYS B 72 2.148 0.871 16.104 1.00 3.84 N ATOM 0 H LYS B 72 2.843 -0.897 13.536 1.00 1.11 H new ATOM 0 HA LYS B 72 0.758 -2.932 13.481 1.00 1.25 H new ATOM 0 HB2 LYS B 72 -0.648 -1.317 14.368 1.00 1.57 H new ATOM 0 HB3 LYS B 72 0.894 -1.072 15.164 1.00 1.57 H new ATOM 0 HG2 LYS B 72 1.342 0.772 13.399 1.00 1.52 H new ATOM 0 HG3 LYS B 72 -0.352 0.630 12.972 1.00 1.52 H new ATOM 0 HD2 LYS B 72 -0.572 2.273 14.564 1.00 2.16 H new ATOM 0 HD3 LYS B 72 -0.673 0.889 15.634 1.00 2.16 H new ATOM 0 HE2 LYS B 72 1.726 2.688 15.138 1.00 2.88 H new ATOM 0 HE3 LYS B 72 0.861 2.441 16.642 1.00 2.88 H new ATOM 0 HZ1 LYS B 72 2.884 1.256 16.730 1.00 3.84 H new ATOM 0 HZ2 LYS B 72 1.637 0.112 16.597 1.00 3.84 H new ATOM 0 HZ3 LYS B 72 2.591 0.488 15.244 1.00 3.84 H new ATOM 2788 N PHE B 73 -0.754 -1.799 11.536 1.00 1.28 N ATOM 2789 CA PHE B 73 -1.304 -1.795 10.188 1.00 1.35 C ATOM 2790 C PHE B 73 -1.665 -0.383 9.693 1.00 1.45 C ATOM 2791 O PHE B 73 -2.686 -0.206 9.040 1.00 1.81 O ATOM 2792 CB PHE B 73 -2.513 -2.754 10.164 1.00 1.61 C ATOM 2793 CG PHE B 73 -3.592 -2.480 11.207 1.00 1.54 C ATOM 2794 CD1 PHE B 73 -3.494 -3.042 12.495 1.00 2.95 C ATOM 2795 CD2 PHE B 73 -4.697 -1.667 10.892 1.00 2.69 C ATOM 2796 CE1 PHE B 73 -4.452 -2.737 13.477 1.00 4.27 C ATOM 2797 CE2 PHE B 73 -5.653 -1.357 11.875 1.00 3.92 C ATOM 2798 CZ PHE B 73 -5.526 -1.886 13.171 1.00 4.48 C ATOM 0 H PHE B 73 -1.454 -1.871 12.275 1.00 1.28 H new ATOM 0 HA PHE B 73 -0.544 -2.143 9.489 1.00 1.35 H new ATOM 0 HB2 PHE B 73 -2.969 -2.710 9.175 1.00 1.61 H new ATOM 0 HB3 PHE B 73 -2.149 -3.772 10.302 1.00 1.61 H new ATOM 0 HD1 PHE B 73 -2.679 -3.711 12.729 1.00 2.95 H new ATOM 0 HD2 PHE B 73 -4.811 -1.280 9.890 1.00 2.69 H new ATOM 0 HE1 PHE B 73 -4.362 -3.158 14.468 1.00 4.27 H new ATOM 0 HE2 PHE B 73 -6.485 -0.712 11.634 1.00 3.92 H new ATOM 0 HZ PHE B 73 -6.253 -1.638 13.930 1.00 4.48 H new ATOM 2808 N ASN B 74 -0.723 0.563 9.771 1.00 1.35 N ATOM 2809 CA ASN B 74 -0.123 1.189 8.591 1.00 1.27 C ATOM 2810 C ASN B 74 1.259 1.708 9.012 1.00 1.21 C ATOM 2811 O ASN B 74 1.638 2.842 8.735 1.00 1.39 O ATOM 2812 CB ASN B 74 -1.027 2.339 8.088 1.00 1.38 C ATOM 2813 CG ASN B 74 -0.713 2.848 6.678 1.00 2.14 C ATOM 2814 OD1 ASN B 74 -1.562 2.759 5.796 1.00 2.79 O ATOM 2815 ND2 ASN B 74 0.451 3.432 6.438 1.00 2.49 N ATOM 0 H ASN B 74 -0.356 0.915 10.655 1.00 1.35 H new ATOM 0 HA ASN B 74 -0.021 0.478 7.771 1.00 1.27 H new ATOM 0 HB2 ASN B 74 -2.063 2.002 8.113 1.00 1.38 H new ATOM 0 HB3 ASN B 74 -0.947 3.174 8.784 1.00 1.38 H new ATOM 0 HD21 ASN B 74 0.649 3.813 5.513 1.00 2.49 H new ATOM 0 HD22 ASN B 74 1.149 3.501 7.178 1.00 2.49 H new ATOM 2822 N GLU B 75 2.055 0.855 9.653 1.00 1.18 N ATOM 2823 CA GLU B 75 3.477 0.727 9.455 1.00 1.23 C ATOM 2824 C GLU B 75 3.659 -0.333 8.371 1.00 1.29 C ATOM 2825 O GLU B 75 4.164 -0.053 7.293 1.00 1.36 O ATOM 2826 CB GLU B 75 4.145 0.393 10.793 1.00 1.28 C ATOM 2827 CG GLU B 75 3.866 1.521 11.799 1.00 1.29 C ATOM 2828 CD GLU B 75 4.402 1.202 13.177 1.00 1.19 C ATOM 2829 OE1 GLU B 75 3.678 0.567 13.976 1.00 1.90 O ATOM 2830 OE2 GLU B 75 5.550 1.595 13.467 1.00 1.74 O ATOM 0 H GLU B 75 1.698 0.208 10.356 1.00 1.18 H new ATOM 0 HA GLU B 75 3.958 1.646 9.120 1.00 1.23 H new ATOM 0 HB2 GLU B 75 3.763 -0.553 11.176 1.00 1.28 H new ATOM 0 HB3 GLU B 75 5.219 0.271 10.655 1.00 1.28 H new ATOM 0 HG2 GLU B 75 4.318 2.446 11.440 1.00 1.29 H new ATOM 0 HG3 GLU B 75 2.792 1.694 11.860 1.00 1.29 H new ATOM 2837 N TYR B 76 3.183 -1.552 8.656 1.00 1.31 N ATOM 2838 CA TYR B 76 3.470 -2.746 7.870 1.00 1.37 C ATOM 2839 C TYR B 76 3.169 -2.576 6.385 1.00 1.41 C ATOM 2840 O TYR B 76 4.022 -2.883 5.552 1.00 1.39 O ATOM 2841 CB TYR B 76 2.693 -3.945 8.422 1.00 1.39 C ATOM 2842 CG TYR B 76 3.058 -5.240 7.723 1.00 1.51 C ATOM 2843 CD1 TYR B 76 4.338 -5.778 7.919 1.00 2.25 C ATOM 2844 CD2 TYR B 76 2.187 -5.846 6.800 1.00 2.60 C ATOM 2845 CE1 TYR B 76 4.705 -6.987 7.308 1.00 3.06 C ATOM 2846 CE2 TYR B 76 2.561 -7.053 6.181 1.00 3.10 C ATOM 2847 CZ TYR B 76 3.769 -7.677 6.526 1.00 3.07 C ATOM 2848 OH TYR B 76 4.009 -8.965 6.155 1.00 4.02 O ATOM 0 H TYR B 76 2.577 -1.733 9.456 1.00 1.31 H new ATOM 0 HA TYR B 76 4.542 -2.922 7.959 1.00 1.37 H new ATOM 0 HB2 TYR B 76 2.891 -4.043 9.489 1.00 1.39 H new ATOM 0 HB3 TYR B 76 1.624 -3.764 8.311 1.00 1.39 H new ATOM 0 HD1 TYR B 76 5.047 -5.258 8.545 1.00 2.25 H new ATOM 0 HD2 TYR B 76 1.237 -5.388 6.568 1.00 2.60 H new ATOM 0 HE1 TYR B 76 5.701 -7.383 7.440 1.00 3.06 H new ATOM 0 HE2 TYR B 76 1.917 -7.500 5.439 1.00 3.10 H new ATOM 0 HH TYR B 76 3.260 -9.295 5.617 1.00 4.02 H new ATOM 2858 N TRP B 77 1.964 -2.078 6.070 1.00 1.49 N ATOM 2859 CA TRP B 77 1.543 -1.802 4.699 1.00 1.52 C ATOM 2860 C TRP B 77 2.651 -1.110 3.910 1.00 1.43 C ATOM 2861 O TRP B 77 2.746 -1.295 2.696 1.00 1.34 O ATOM 2862 CB TRP B 77 0.257 -0.951 4.644 1.00 1.61 C ATOM 2863 CG TRP B 77 0.252 0.037 3.510 1.00 1.28 C ATOM 2864 CD1 TRP B 77 0.737 1.293 3.615 1.00 1.44 C ATOM 2865 CD2 TRP B 77 0.042 -0.181 2.076 1.00 2.52 C ATOM 2866 NE1 TRP B 77 0.882 1.848 2.367 1.00 1.49 N ATOM 2867 CE2 TRP B 77 0.475 0.989 1.381 1.00 1.85 C ATOM 2868 CE3 TRP B 77 -0.510 -1.213 1.284 1.00 4.47 C ATOM 2869 CZ2 TRP B 77 0.383 1.128 -0.007 1.00 2.83 C ATOM 2870 CZ3 TRP B 77 -0.684 -1.039 -0.107 1.00 5.33 C ATOM 2871 CH2 TRP B 77 -0.142 0.075 -0.761 1.00 4.58 C ATOM 0 H TRP B 77 1.254 -1.856 6.768 1.00 1.49 H new ATOM 0 HA TRP B 77 1.329 -2.768 4.242 1.00 1.52 H new ATOM 0 HB2 TRP B 77 -0.605 -1.611 4.547 1.00 1.61 H new ATOM 0 HB3 TRP B 77 0.143 -0.415 5.586 1.00 1.61 H new ATOM 0 HD1 TRP B 77 0.976 1.789 4.544 1.00 1.44 H new ATOM 0 HE1 TRP B 77 1.248 2.785 2.196 1.00 1.49 H new ATOM 0 HE3 TRP B 77 -0.802 -2.144 1.747 1.00 4.47 H new ATOM 0 HZ2 TRP B 77 0.713 2.036 -0.490 1.00 2.83 H new ATOM 0 HZ3 TRP B 77 -1.240 -1.772 -0.672 1.00 5.33 H new ATOM 0 HH2 TRP B 77 -0.130 0.120 -1.840 1.00 4.58 H new ATOM 2882 N ARG B 78 3.447 -0.259 4.566 1.00 1.43 N ATOM 2883 CA ARG B 78 4.450 0.488 3.852 1.00 1.39 C ATOM 2884 C ARG B 78 5.312 -0.431 3.009 1.00 1.27 C ATOM 2885 O ARG B 78 5.407 -0.226 1.810 1.00 1.48 O ATOM 2886 CB ARG B 78 5.355 1.302 4.764 1.00 1.32 C ATOM 2887 CG ARG B 78 4.774 2.657 5.178 1.00 1.51 C ATOM 2888 CD ARG B 78 5.835 3.519 5.868 1.00 1.60 C ATOM 2889 NE ARG B 78 7.097 3.601 5.097 1.00 2.68 N ATOM 2890 CZ ARG B 78 8.235 4.090 5.598 1.00 3.38 C ATOM 2891 NH1 ARG B 78 8.187 4.829 6.707 1.00 3.50 N ATOM 2892 NH2 ARG B 78 9.385 3.803 4.989 1.00 4.97 N ATOM 0 H ARG B 78 3.408 -0.082 5.570 1.00 1.43 H new ATOM 0 HA ARG B 78 3.900 1.182 3.217 1.00 1.39 H new ATOM 0 HB2 ARG B 78 5.566 0.720 5.661 1.00 1.32 H new ATOM 0 HB3 ARG B 78 6.307 1.466 4.260 1.00 1.32 H new ATOM 0 HG2 ARG B 78 4.392 3.177 4.299 1.00 1.51 H new ATOM 0 HG3 ARG B 78 3.930 2.505 5.850 1.00 1.51 H new ATOM 0 HD2 ARG B 78 5.440 4.524 6.017 1.00 1.60 H new ATOM 0 HD3 ARG B 78 6.044 3.109 6.856 1.00 1.60 H new ATOM 0 HE ARG B 78 7.097 3.267 4.133 1.00 2.68 H new ATOM 0 HH11 ARG B 78 7.291 5.013 7.159 1.00 3.50 H new ATOM 0 HH12 ARG B 78 9.046 5.210 7.103 1.00 3.50 H new ATOM 0 HH21 ARG B 78 9.387 3.218 4.153 1.00 4.97 H new ATOM 0 HH22 ARG B 78 10.263 4.168 5.358 1.00 4.97 H new ATOM 2906 N LEU B 79 5.900 -1.483 3.575 1.00 1.02 N ATOM 2907 CA LEU B 79 6.735 -2.334 2.744 1.00 0.88 C ATOM 2908 C LEU B 79 5.937 -2.888 1.556 1.00 1.16 C ATOM 2909 O LEU B 79 6.496 -3.130 0.490 1.00 1.38 O ATOM 2910 CB LEU B 79 7.356 -3.465 3.564 1.00 0.84 C ATOM 2911 CG LEU B 79 8.641 -3.956 2.871 1.00 0.83 C ATOM 2912 CD1 LEU B 79 9.857 -3.154 3.336 1.00 0.75 C ATOM 2913 CD2 LEU B 79 8.861 -5.444 3.122 1.00 1.31 C ATOM 0 H LEU B 79 5.819 -1.754 4.555 1.00 1.02 H new ATOM 0 HA LEU B 79 7.548 -1.725 2.349 1.00 0.88 H new ATOM 0 HB2 LEU B 79 7.584 -3.116 4.571 1.00 0.84 H new ATOM 0 HB3 LEU B 79 6.647 -4.287 3.665 1.00 0.84 H new ATOM 0 HG LEU B 79 8.518 -3.801 1.799 1.00 0.83 H new ATOM 0 HD11 LEU B 79 10.750 -3.522 2.831 1.00 0.75 H new ATOM 0 HD12 LEU B 79 9.712 -2.101 3.096 1.00 0.75 H new ATOM 0 HD13 LEU B 79 9.977 -3.267 4.413 1.00 0.75 H new ATOM 0 HD21 LEU B 79 9.775 -5.766 2.622 1.00 1.31 H new ATOM 0 HD22 LEU B 79 8.951 -5.623 4.193 1.00 1.31 H new ATOM 0 HD23 LEU B 79 8.015 -6.008 2.730 1.00 1.31 H new ATOM 2925 N ILE B 80 4.619 -3.044 1.708 1.00 1.19 N ATOM 2926 CA ILE B 80 3.832 -3.791 0.736 1.00 1.67 C ATOM 2927 C ILE B 80 3.746 -2.939 -0.515 1.00 2.03 C ATOM 2928 O ILE B 80 3.964 -3.406 -1.628 1.00 2.34 O ATOM 2929 CB ILE B 80 2.422 -4.126 1.262 1.00 1.67 C ATOM 2930 CG1 ILE B 80 2.499 -4.881 2.599 1.00 1.80 C ATOM 2931 CG2 ILE B 80 1.669 -4.971 0.222 1.00 2.21 C ATOM 2932 CD1 ILE B 80 1.109 -5.265 3.117 1.00 1.98 C ATOM 0 H ILE B 80 4.083 -2.665 2.489 1.00 1.19 H new ATOM 0 HA ILE B 80 4.313 -4.748 0.532 1.00 1.67 H new ATOM 0 HB ILE B 80 1.884 -3.193 1.430 1.00 1.67 H new ATOM 0 HG12 ILE B 80 3.102 -5.781 2.474 1.00 1.80 H new ATOM 0 HG13 ILE B 80 3.004 -4.260 3.339 1.00 1.80 H new ATOM 0 HG21 ILE B 80 0.673 -5.206 0.597 1.00 2.21 H new ATOM 0 HG22 ILE B 80 1.584 -4.411 -0.709 1.00 2.21 H new ATOM 0 HG23 ILE B 80 2.216 -5.896 0.040 1.00 2.21 H new ATOM 0 HD11 ILE B 80 1.207 -5.797 4.063 1.00 1.98 H new ATOM 0 HD12 ILE B 80 0.515 -4.364 3.267 1.00 1.98 H new ATOM 0 HD13 ILE B 80 0.614 -5.908 2.389 1.00 1.98 H new ATOM 2944 N GLY B 81 3.411 -1.667 -0.319 1.00 2.15 N ATOM 2945 CA GLY B 81 3.291 -0.751 -1.398 1.00 2.71 C ATOM 2946 C GLY B 81 4.657 -0.220 -1.827 1.00 2.18 C ATOM 2947 O GLY B 81 4.780 0.182 -2.981 1.00 2.21 O ATOM 0 H GLY B 81 3.220 -1.264 0.598 1.00 2.15 H new ATOM 0 HA2 GLY B 81 2.807 -1.242 -2.243 1.00 2.71 H new ATOM 0 HA3 GLY B 81 2.651 0.081 -1.103 1.00 2.71 H new ATOM 2951 N GLU B 82 5.655 -0.150 -0.927 1.00 1.79 N ATOM 2952 CA GLU B 82 6.925 0.482 -1.242 1.00 1.51 C ATOM 2953 C GLU B 82 7.445 -0.253 -2.448 1.00 1.10 C ATOM 2954 O GLU B 82 7.782 0.387 -3.427 1.00 1.12 O ATOM 2955 CB GLU B 82 7.960 0.467 -0.100 1.00 1.38 C ATOM 2956 CG GLU B 82 7.783 1.621 0.880 1.00 1.41 C ATOM 2957 CD GLU B 82 8.757 1.642 2.057 1.00 2.24 C ATOM 2958 OE1 GLU B 82 9.847 1.035 1.937 1.00 2.90 O ATOM 2959 OE2 GLU B 82 8.414 2.319 3.057 1.00 3.39 O ATOM 0 H GLU B 82 5.595 -0.526 0.019 1.00 1.79 H new ATOM 0 HA GLU B 82 6.762 1.545 -1.420 1.00 1.51 H new ATOM 0 HB2 GLU B 82 7.883 -0.476 0.441 1.00 1.38 H new ATOM 0 HB3 GLU B 82 8.963 0.509 -0.525 1.00 1.38 H new ATOM 0 HG2 GLU B 82 7.883 2.558 0.332 1.00 1.41 H new ATOM 0 HG3 GLU B 82 6.767 1.588 1.273 1.00 1.41 H new ATOM 2966 N LEU B 83 7.415 -1.582 -2.406 1.00 0.96 N ATOM 2967 CA LEU B 83 7.762 -2.459 -3.516 1.00 0.96 C ATOM 2968 C LEU B 83 7.281 -1.929 -4.881 1.00 0.97 C ATOM 2969 O LEU B 83 8.052 -1.891 -5.842 1.00 1.03 O ATOM 2970 CB LEU B 83 7.108 -3.805 -3.227 1.00 1.38 C ATOM 2971 CG LEU B 83 7.986 -4.816 -2.487 1.00 1.50 C ATOM 2972 CD1 LEU B 83 8.638 -4.390 -1.176 1.00 2.61 C ATOM 2973 CD2 LEU B 83 7.117 -6.060 -2.249 1.00 1.92 C ATOM 0 H LEU B 83 7.139 -2.094 -1.568 1.00 0.96 H new ATOM 0 HA LEU B 83 8.847 -2.529 -3.589 1.00 0.96 H new ATOM 0 HB2 LEU B 83 6.207 -3.633 -2.639 1.00 1.38 H new ATOM 0 HB3 LEU B 83 6.792 -4.247 -4.172 1.00 1.38 H new ATOM 0 HG LEU B 83 8.851 -4.974 -3.132 1.00 1.50 H new ATOM 0 HD11 LEU B 83 9.226 -5.216 -0.777 1.00 2.61 H new ATOM 0 HD12 LEU B 83 9.289 -3.534 -1.355 1.00 2.61 H new ATOM 0 HD13 LEU B 83 7.865 -4.114 -0.458 1.00 2.61 H new ATOM 0 HD21 LEU B 83 7.700 -6.815 -1.722 1.00 1.92 H new ATOM 0 HD22 LEU B 83 6.248 -5.788 -1.650 1.00 1.92 H new ATOM 0 HD23 LEU B 83 6.786 -6.461 -3.207 1.00 1.92 H new ATOM 2985 N ALA B 84 6.014 -1.511 -4.962 1.00 1.07 N ATOM 2986 CA ALA B 84 5.401 -1.006 -6.186 1.00 1.14 C ATOM 2987 C ALA B 84 6.093 0.268 -6.678 1.00 0.99 C ATOM 2988 O ALA B 84 6.131 0.543 -7.874 1.00 1.31 O ATOM 2989 CB ALA B 84 3.907 -0.765 -5.945 1.00 1.35 C ATOM 0 H ALA B 84 5.379 -1.516 -4.164 1.00 1.07 H new ATOM 0 HA ALA B 84 5.521 -1.754 -6.970 1.00 1.14 H new ATOM 0 HB1 ALA B 84 3.447 -0.388 -6.858 1.00 1.35 H new ATOM 0 HB2 ALA B 84 3.429 -1.702 -5.658 1.00 1.35 H new ATOM 0 HB3 ALA B 84 3.781 -0.034 -5.146 1.00 1.35 H new ATOM 2995 N LYS B 85 6.645 1.056 -5.755 1.00 0.72 N ATOM 2996 CA LYS B 85 7.550 2.146 -6.060 1.00 0.74 C ATOM 2997 C LYS B 85 8.971 1.633 -6.314 1.00 0.81 C ATOM 2998 O LYS B 85 9.591 2.086 -7.269 1.00 1.01 O ATOM 2999 CB LYS B 85 7.491 3.186 -4.937 1.00 1.07 C ATOM 3000 CG LYS B 85 8.621 4.218 -5.028 1.00 0.89 C ATOM 3001 CD LYS B 85 8.372 5.386 -4.082 1.00 1.37 C ATOM 3002 CE LYS B 85 8.087 4.919 -2.651 1.00 0.71 C ATOM 3003 NZ LYS B 85 9.172 4.065 -2.087 1.00 1.47 N ATOM 0 H LYS B 85 6.467 0.946 -4.757 1.00 0.72 H new ATOM 0 HA LYS B 85 7.236 2.631 -6.984 1.00 0.74 H new ATOM 0 HB2 LYS B 85 6.531 3.700 -4.973 1.00 1.07 H new ATOM 0 HB3 LYS B 85 7.544 2.678 -3.974 1.00 1.07 H new ATOM 0 HG2 LYS B 85 9.572 3.744 -4.784 1.00 0.89 H new ATOM 0 HG3 LYS B 85 8.701 4.585 -6.051 1.00 0.89 H new ATOM 0 HD2 LYS B 85 9.242 6.043 -4.082 1.00 1.37 H new ATOM 0 HD3 LYS B 85 7.529 5.973 -4.446 1.00 1.37 H new ATOM 0 HE2 LYS B 85 7.949 5.791 -2.011 1.00 0.71 H new ATOM 0 HE3 LYS B 85 7.150 4.362 -2.637 1.00 0.71 H new ATOM 0 HZ1 LYS B 85 8.922 3.781 -1.118 1.00 1.47 H new ATOM 0 HZ2 LYS B 85 9.289 3.217 -2.677 1.00 1.47 H new ATOM 0 HZ3 LYS B 85 10.063 4.601 -2.071 1.00 1.47 H new ATOM 3017 N GLU B 86 9.513 0.735 -5.483 1.00 0.80 N ATOM 3018 CA GLU B 86 10.909 0.335 -5.553 1.00 1.05 C ATOM 3019 C GLU B 86 11.181 -0.209 -6.960 1.00 1.18 C ATOM 3020 O GLU B 86 12.090 0.267 -7.637 1.00 1.60 O ATOM 3021 CB GLU B 86 11.250 -0.715 -4.469 1.00 1.00 C ATOM 3022 CG GLU B 86 10.890 -0.380 -2.998 1.00 1.20 C ATOM 3023 CD GLU B 86 11.154 1.016 -2.416 1.00 2.30 C ATOM 3024 OE1 GLU B 86 10.518 1.995 -2.879 1.00 3.57 O ATOM 3025 OE2 GLU B 86 11.880 1.071 -1.392 1.00 3.00 O ATOM 0 H GLU B 86 8.988 0.268 -4.744 1.00 0.80 H new ATOM 0 HA GLU B 86 11.548 1.197 -5.361 1.00 1.05 H new ATOM 0 HB2 GLU B 86 10.746 -1.645 -4.733 1.00 1.00 H new ATOM 0 HB3 GLU B 86 12.322 -0.908 -4.516 1.00 1.00 H new ATOM 0 HG2 GLU B 86 9.825 -0.580 -2.877 1.00 1.20 H new ATOM 0 HG3 GLU B 86 11.422 -1.094 -2.369 1.00 1.20 H new ATOM 3032 N ILE B 87 10.340 -1.140 -7.436 1.00 1.02 N ATOM 3033 CA ILE B 87 10.405 -1.661 -8.793 1.00 1.16 C ATOM 3034 C ILE B 87 10.453 -0.529 -9.834 1.00 1.10 C ATOM 3035 O ILE B 87 11.159 -0.619 -10.835 1.00 1.37 O ATOM 3036 CB ILE B 87 9.210 -2.618 -9.007 1.00 1.20 C ATOM 3037 CG1 ILE B 87 9.483 -3.540 -10.204 1.00 1.45 C ATOM 3038 CG2 ILE B 87 7.883 -1.872 -9.180 1.00 1.12 C ATOM 3039 CD1 ILE B 87 8.488 -4.696 -10.214 1.00 1.36 C ATOM 0 H ILE B 87 9.592 -1.551 -6.877 1.00 1.02 H new ATOM 0 HA ILE B 87 11.331 -2.220 -8.931 1.00 1.16 H new ATOM 0 HB ILE B 87 9.109 -3.222 -8.106 1.00 1.20 H new ATOM 0 HG12 ILE B 87 9.405 -2.975 -11.133 1.00 1.45 H new ATOM 0 HG13 ILE B 87 10.501 -3.927 -10.150 1.00 1.45 H new ATOM 0 HG21 ILE B 87 7.078 -2.592 -9.327 1.00 1.12 H new ATOM 0 HG22 ILE B 87 7.681 -1.278 -8.289 1.00 1.12 H new ATOM 0 HG23 ILE B 87 7.945 -1.215 -10.048 1.00 1.12 H new ATOM 0 HD11 ILE B 87 8.691 -5.343 -11.067 1.00 1.36 H new ATOM 0 HD12 ILE B 87 8.587 -5.269 -9.292 1.00 1.36 H new ATOM 0 HD13 ILE B 87 7.474 -4.303 -10.290 1.00 1.36 H new ATOM 3051 N ARG B 88 9.684 0.537 -9.594 1.00 0.99 N ATOM 3052 CA ARG B 88 9.521 1.678 -10.480 1.00 1.34 C ATOM 3053 C ARG B 88 10.666 2.695 -10.350 1.00 1.63 C ATOM 3054 O ARG B 88 10.797 3.557 -11.225 1.00 2.60 O ATOM 3055 CB ARG B 88 8.131 2.291 -10.226 1.00 1.63 C ATOM 3056 CG ARG B 88 7.668 3.271 -11.313 1.00 2.08 C ATOM 3057 CD ARG B 88 7.847 4.740 -10.900 1.00 2.46 C ATOM 3058 NE ARG B 88 7.624 5.653 -12.037 1.00 2.92 N ATOM 3059 CZ ARG B 88 8.478 5.825 -13.059 1.00 2.92 C ATOM 3060 NH1 ARG B 88 9.657 5.188 -13.068 1.00 3.19 N ATOM 3061 NH2 ARG B 88 8.161 6.631 -14.075 1.00 3.71 N ATOM 0 H ARG B 88 9.137 0.626 -8.738 1.00 0.99 H new ATOM 0 HA ARG B 88 9.576 1.346 -11.517 1.00 1.34 H new ATOM 0 HB2 ARG B 88 7.401 1.486 -10.143 1.00 1.63 H new ATOM 0 HB3 ARG B 88 8.144 2.809 -9.267 1.00 1.63 H new ATOM 0 HG2 ARG B 88 8.229 3.084 -12.228 1.00 2.08 H new ATOM 0 HG3 ARG B 88 6.618 3.087 -11.540 1.00 2.08 H new ATOM 0 HD2 ARG B 88 7.150 4.981 -10.097 1.00 2.46 H new ATOM 0 HD3 ARG B 88 8.852 4.888 -10.505 1.00 2.46 H new ATOM 0 HE ARG B 88 6.759 6.193 -12.048 1.00 2.92 H new ATOM 0 HH11 ARG B 88 9.909 4.570 -12.297 1.00 3.19 H new ATOM 0 HH12 ARG B 88 10.303 5.321 -13.846 1.00 3.19 H new ATOM 0 HH21 ARG B 88 7.266 7.120 -14.078 1.00 3.71 H new ATOM 0 HH22 ARG B 88 8.814 6.758 -14.848 1.00 3.71 H new ATOM 3075 N LYS B 89 11.432 2.671 -9.249 1.00 1.05 N ATOM 3076 CA LYS B 89 12.276 3.781 -8.818 1.00 1.43 C ATOM 3077 C LYS B 89 13.654 3.301 -8.343 1.00 1.71 C ATOM 3078 O LYS B 89 13.859 3.022 -7.165 1.00 2.17 O ATOM 3079 CB LYS B 89 11.516 4.550 -7.732 1.00 1.58 C ATOM 3080 CG LYS B 89 12.056 5.970 -7.550 1.00 2.43 C ATOM 3081 CD LYS B 89 11.119 6.699 -6.581 1.00 2.78 C ATOM 3082 CE LYS B 89 11.411 8.205 -6.466 1.00 4.00 C ATOM 3083 NZ LYS B 89 11.291 8.916 -7.756 1.00 5.38 N ATOM 0 H LYS B 89 11.479 1.864 -8.627 1.00 1.05 H new ATOM 0 HA LYS B 89 12.481 4.445 -9.658 1.00 1.43 H new ATOM 0 HB2 LYS B 89 10.459 4.595 -7.992 1.00 1.58 H new ATOM 0 HB3 LYS B 89 11.589 4.011 -6.788 1.00 1.58 H new ATOM 0 HG2 LYS B 89 13.072 5.946 -7.156 1.00 2.43 H new ATOM 0 HG3 LYS B 89 12.098 6.490 -8.507 1.00 2.43 H new ATOM 0 HD2 LYS B 89 10.089 6.560 -6.910 1.00 2.78 H new ATOM 0 HD3 LYS B 89 11.203 6.244 -5.594 1.00 2.78 H new ATOM 0 HE2 LYS B 89 10.723 8.649 -5.747 1.00 4.00 H new ATOM 0 HE3 LYS B 89 12.418 8.345 -6.072 1.00 4.00 H new ATOM 0 HZ1 LYS B 89 11.296 9.942 -7.588 1.00 5.38 H new ATOM 0 HZ2 LYS B 89 12.092 8.661 -8.369 1.00 5.38 H new ATOM 0 HZ3 LYS B 89 10.400 8.646 -8.220 1.00 5.38 H new