USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1075 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 101 MET CE :methyl -165:sc=-0.00473 (180deg=-0.166) USER MOD Set 2.1: A 33 MET CE :methyl -149:sc= -1.86 (180deg=-1.79) USER MOD Set 2.2: A 73 HIS : no HD1:sc= -0.62 K(o=-2.5,f=-3) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-3.6!) USER MOD Single : A 28 ASN : amide:sc= -2.86! C(o=-2.9!,f=-4.2!) USER MOD Single : A 37 MET CE :methyl -125:sc= -0.134 (180deg=-2.15!) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.49 USER MOD Single : A 40 THR OG1 : rot 173:sc= -0.444 USER MOD Single : A 41 SER OG : rot 180:sc= -1.69! USER MOD Single : A 54 THR OG1 : rot 2:sc= 1.13 USER MOD Single : A 55 SER OG : rot 78:sc= -1.53 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 150:sc= 0.0235 USER MOD Single : A 75 THR OG1 : rot 74:sc= 0.858 USER MOD Single : A 81 SER OG : rot 59:sc= -1.16! USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.0984 (180deg=-0.466) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -0.807 (180deg=-2.14!) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -8.2! C(o=-8.8!,f=-8.2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.26! USER MOD Single : A 99 THR OG1 : rot -140:sc= -0.777 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-2.6) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -3.74 X(o=-3.7,f=-4.2!) USER MOD Single : A 122 MET CE :methyl 151:sc= -0.727 (180deg=-3.39!) USER MOD Single : A 123 MET CE :methyl 154:sc= -2.11 (180deg=-4.25!) USER MOD Single : A 133 LYS NZ :NH3+ -168:sc= -3.31 (180deg=-3.56) USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 3 -6.132 3.504 14.366 1.00 0.00 N ATOM 43 CA GLY A 3 -5.518 4.056 13.173 1.00 0.00 C ATOM 44 C GLY A 3 -5.983 3.381 11.895 1.00 0.00 C ATOM 45 O GLY A 3 -5.702 3.863 10.800 1.00 0.00 O ATOM 0 HA2 GLY A 3 -5.742 5.121 13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.435 3.962 13.253 1.00 0.00 H new ATOM 49 N PHE A 4 -6.692 2.263 12.027 1.00 0.00 N ATOM 50 CA PHE A 4 -7.187 1.538 10.861 1.00 0.00 C ATOM 51 C PHE A 4 -8.584 0.968 11.114 1.00 0.00 C ATOM 52 O PHE A 4 -8.872 0.460 12.198 1.00 0.00 O ATOM 53 CB PHE A 4 -6.206 0.422 10.488 1.00 0.00 C ATOM 54 CG PHE A 4 -6.331 -0.814 11.337 1.00 0.00 C ATOM 55 CD1 PHE A 4 -5.741 -0.872 12.588 1.00 0.00 C ATOM 56 CD2 PHE A 4 -7.038 -1.916 10.882 1.00 0.00 C ATOM 57 CE1 PHE A 4 -5.853 -2.004 13.372 1.00 0.00 C ATOM 58 CE2 PHE A 4 -7.153 -3.052 11.661 1.00 0.00 C ATOM 59 CZ PHE A 4 -6.561 -3.097 12.908 1.00 0.00 C ATOM 0 H PHE A 4 -6.935 1.842 12.924 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.264 2.237 10.028 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.361 0.150 9.444 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.189 0.805 10.570 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.186 -0.022 12.956 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.504 -1.887 9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.388 -2.035 14.346 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.706 -3.904 11.295 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.651 -3.983 13.519 1.00 0.00 H new ATOM 69 N GLU A 5 -9.444 1.048 10.103 1.00 0.00 N ATOM 70 CA GLU A 5 -10.809 0.533 10.205 1.00 0.00 C ATOM 71 C GLU A 5 -11.279 0.007 8.852 1.00 0.00 C ATOM 72 O GLU A 5 -11.065 0.644 7.825 1.00 0.00 O ATOM 73 CB GLU A 5 -11.765 1.620 10.710 1.00 0.00 C ATOM 74 CG GLU A 5 -11.462 3.013 10.175 1.00 0.00 C ATOM 75 CD GLU A 5 -12.562 3.546 9.277 1.00 0.00 C ATOM 76 OE1 GLU A 5 -13.335 2.729 8.735 1.00 0.00 O ATOM 77 OE2 GLU A 5 -12.650 4.781 9.116 1.00 0.00 O ATOM 0 H GLU A 5 -9.220 1.466 9.200 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.811 -0.287 10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.784 1.350 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.727 1.645 11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.319 3.696 11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.525 2.989 9.619 1.00 0.00 H new ATOM 84 N PHE A 6 -11.904 -1.163 8.846 1.00 0.00 N ATOM 85 CA PHE A 6 -12.372 -1.760 7.598 1.00 0.00 C ATOM 86 C PHE A 6 -13.893 -1.853 7.541 1.00 0.00 C ATOM 87 O PHE A 6 -14.555 -2.061 8.557 1.00 0.00 O ATOM 88 CB PHE A 6 -11.764 -3.153 7.422 1.00 0.00 C ATOM 89 CG PHE A 6 -11.776 -3.980 8.677 1.00 0.00 C ATOM 90 CD1 PHE A 6 -10.798 -3.809 9.643 1.00 0.00 C ATOM 91 CD2 PHE A 6 -12.763 -4.928 8.887 1.00 0.00 C ATOM 92 CE1 PHE A 6 -10.806 -4.569 10.797 1.00 0.00 C ATOM 93 CE2 PHE A 6 -12.776 -5.690 10.040 1.00 0.00 C ATOM 94 CZ PHE A 6 -11.797 -5.511 10.996 1.00 0.00 C ATOM 0 H PHE A 6 -12.098 -1.715 9.682 1.00 0.00 H new ATOM 0 HA PHE A 6 -12.049 -1.109 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -12.312 -3.683 6.643 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.736 -3.050 7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.021 -3.074 9.493 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -13.531 -5.074 8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.038 -4.427 11.543 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.552 -6.425 10.193 1.00 0.00 H new ATOM 0 HZ PHE A 6 -11.805 -6.106 11.897 1.00 0.00 H new ATOM 104 N PHE A 7 -14.436 -1.721 6.331 1.00 0.00 N ATOM 105 CA PHE A 7 -15.876 -1.813 6.120 1.00 0.00 C ATOM 106 C PHE A 7 -16.205 -3.110 5.387 1.00 0.00 C ATOM 107 O PHE A 7 -15.467 -3.534 4.496 1.00 0.00 O ATOM 108 CB PHE A 7 -16.405 -0.605 5.337 1.00 0.00 C ATOM 109 CG PHE A 7 -15.432 -0.022 4.348 1.00 0.00 C ATOM 110 CD1 PHE A 7 -14.474 0.897 4.750 1.00 0.00 C ATOM 111 CD2 PHE A 7 -15.486 -0.382 3.010 1.00 0.00 C ATOM 112 CE1 PHE A 7 -13.589 1.443 3.838 1.00 0.00 C ATOM 113 CE2 PHE A 7 -14.603 0.159 2.095 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.654 1.073 2.510 1.00 0.00 C ATOM 0 H PHE A 7 -13.897 -1.550 5.482 1.00 0.00 H new ATOM 0 HA PHE A 7 -16.367 -1.814 7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -17.309 -0.901 4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -16.692 0.172 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -14.418 1.190 5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -16.227 -1.094 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -12.848 2.158 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -14.655 -0.133 1.056 1.00 0.00 H new ATOM 0 HZ PHE A 7 -12.964 1.498 1.796 1.00 0.00 H new ATOM 124 N ASP A 8 -17.295 -3.755 5.786 1.00 0.00 N ATOM 125 CA ASP A 8 -17.693 -5.026 5.187 1.00 0.00 C ATOM 126 C ASP A 8 -18.494 -4.847 3.900 1.00 0.00 C ATOM 127 O ASP A 8 -19.685 -4.537 3.931 1.00 0.00 O ATOM 128 CB ASP A 8 -18.506 -5.848 6.185 1.00 0.00 C ATOM 129 CG ASP A 8 -19.669 -5.069 6.768 1.00 0.00 C ATOM 130 OD1 ASP A 8 -19.454 -3.921 7.210 1.00 0.00 O ATOM 131 OD2 ASP A 8 -20.796 -5.608 6.782 1.00 0.00 O ATOM 0 H ASP A 8 -17.919 -3.421 6.520 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.774 -5.552 4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.884 -6.743 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.854 -6.181 6.993 1.00 0.00 H new ATOM 136 N VAL A 9 -17.833 -5.087 2.772 1.00 0.00 N ATOM 137 CA VAL A 9 -18.475 -5.001 1.465 1.00 0.00 C ATOM 138 C VAL A 9 -18.693 -6.399 0.911 1.00 0.00 C ATOM 139 O VAL A 9 -17.919 -7.314 1.195 1.00 0.00 O ATOM 140 CB VAL A 9 -17.640 -4.171 0.450 1.00 0.00 C ATOM 141 CG1 VAL A 9 -17.674 -4.770 -0.951 1.00 0.00 C ATOM 142 CG2 VAL A 9 -18.144 -2.762 0.373 1.00 0.00 C ATOM 0 H VAL A 9 -16.847 -5.344 2.737 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.429 -4.492 1.604 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.613 -4.186 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.077 -4.155 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -17.266 -5.781 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -18.703 -4.803 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.545 -2.200 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.185 -2.765 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.069 -2.295 1.355 1.00 0.00 H new ATOM 152 N THR A 10 -19.725 -6.559 0.099 1.00 0.00 N ATOM 153 CA THR A 10 -19.996 -7.847 -0.506 1.00 0.00 C ATOM 154 C THR A 10 -19.226 -7.971 -1.818 1.00 0.00 C ATOM 155 O THR A 10 -19.526 -7.259 -2.776 1.00 0.00 O ATOM 156 CB THR A 10 -21.497 -8.024 -0.748 1.00 0.00 C ATOM 157 OG1 THR A 10 -22.212 -7.962 0.473 1.00 0.00 O ATOM 158 CG2 THR A 10 -21.848 -9.335 -1.419 1.00 0.00 C ATOM 0 H THR A 10 -20.381 -5.820 -0.153 1.00 0.00 H new ATOM 0 HA THR A 10 -19.668 -8.632 0.175 1.00 0.00 H new ATOM 0 HB THR A 10 -21.779 -7.208 -1.414 1.00 0.00 H new ATOM 0 HG1 THR A 10 -23.169 -8.075 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 10 -22.927 -9.394 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 10 -21.352 -9.392 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 10 -21.518 -10.164 -0.793 1.00 0.00 H new ATOM 166 N ALA A 11 -18.213 -8.854 -1.843 1.00 0.00 N ATOM 167 CA ALA A 11 -17.365 -9.054 -3.025 1.00 0.00 C ATOM 168 C ALA A 11 -16.017 -8.394 -2.794 1.00 0.00 C ATOM 169 O ALA A 11 -14.967 -8.967 -3.075 1.00 0.00 O ATOM 170 CB ALA A 11 -18.009 -8.490 -4.286 1.00 0.00 C ATOM 0 H ALA A 11 -17.962 -9.444 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.237 -10.126 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -17.350 -8.658 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.963 -8.988 -4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.176 -7.420 -4.162 1.00 0.00 H new ATOM 176 N ASP A 12 -16.075 -7.179 -2.270 1.00 0.00 N ATOM 177 CA ASP A 12 -14.883 -6.395 -1.969 1.00 0.00 C ATOM 178 C ASP A 12 -14.862 -5.977 -0.501 1.00 0.00 C ATOM 179 O ASP A 12 -15.857 -6.089 0.209 1.00 0.00 O ATOM 180 CB ASP A 12 -14.807 -5.137 -2.846 1.00 0.00 C ATOM 181 CG ASP A 12 -16.008 -4.970 -3.761 1.00 0.00 C ATOM 182 OD1 ASP A 12 -16.267 -5.884 -4.572 1.00 0.00 O ATOM 183 OD2 ASP A 12 -16.688 -3.927 -3.664 1.00 0.00 O ATOM 0 H ASP A 12 -16.950 -6.707 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.022 -7.029 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.723 -4.260 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.901 -5.178 -3.451 1.00 0.00 H new ATOM 188 N ALA A 13 -13.720 -5.474 -0.064 1.00 0.00 N ATOM 189 CA ALA A 13 -13.553 -4.991 1.295 1.00 0.00 C ATOM 190 C ALA A 13 -12.545 -3.849 1.301 1.00 0.00 C ATOM 191 O ALA A 13 -11.398 -4.045 0.917 1.00 0.00 O ATOM 192 CB ALA A 13 -13.097 -6.117 2.209 1.00 0.00 C ATOM 0 H ALA A 13 -12.883 -5.389 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.509 -4.625 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.977 -5.736 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.842 -6.913 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.144 -6.510 1.854 1.00 0.00 H new ATOM 198 N GLY A 14 -12.949 -2.669 1.749 1.00 0.00 N ATOM 199 CA GLY A 14 -12.015 -1.555 1.787 1.00 0.00 C ATOM 200 C GLY A 14 -11.653 -1.184 3.200 1.00 0.00 C ATOM 201 O GLY A 14 -12.511 -1.134 4.081 1.00 0.00 O ATOM 0 H GLY A 14 -13.890 -2.461 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.112 -1.818 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.455 -0.693 1.285 1.00 0.00 H new ATOM 205 N PHE A 15 -10.370 -0.946 3.421 1.00 0.00 N ATOM 206 CA PHE A 15 -9.883 -0.604 4.744 1.00 0.00 C ATOM 207 C PHE A 15 -9.545 0.871 4.823 1.00 0.00 C ATOM 208 O PHE A 15 -9.284 1.520 3.810 1.00 0.00 O ATOM 209 CB PHE A 15 -8.644 -1.433 5.088 1.00 0.00 C ATOM 210 CG PHE A 15 -8.766 -2.893 4.746 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.785 -3.313 3.425 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.858 -3.845 5.748 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.895 -4.655 3.112 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.969 -5.188 5.440 1.00 0.00 C ATOM 215 CZ PHE A 15 -8.987 -5.593 4.120 1.00 0.00 C ATOM 0 H PHE A 15 -9.649 -0.984 2.701 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.672 -0.826 5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.785 -1.018 4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.440 -1.337 6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.713 -2.584 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.843 -3.534 6.782 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.909 -4.969 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.042 -5.920 6.231 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.073 -6.642 3.877 1.00 0.00 H new ATOM 225 N TRP A 16 -9.544 1.391 6.037 1.00 0.00 N ATOM 226 CA TRP A 16 -9.231 2.785 6.267 1.00 0.00 C ATOM 227 C TRP A 16 -7.904 2.898 6.993 1.00 0.00 C ATOM 228 O TRP A 16 -7.670 2.218 7.989 1.00 0.00 O ATOM 229 CB TRP A 16 -10.332 3.463 7.087 1.00 0.00 C ATOM 230 CG TRP A 16 -11.383 4.126 6.251 1.00 0.00 C ATOM 231 CD1 TRP A 16 -12.666 3.700 6.062 1.00 0.00 C ATOM 232 CD2 TRP A 16 -11.246 5.335 5.497 1.00 0.00 C ATOM 233 NE1 TRP A 16 -13.334 4.568 5.233 1.00 0.00 N ATOM 234 CE2 TRP A 16 -12.484 5.581 4.874 1.00 0.00 C ATOM 235 CE3 TRP A 16 -10.196 6.236 5.287 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -12.701 6.687 4.056 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -10.414 7.333 4.475 1.00 0.00 C ATOM 238 CH2 TRP A 16 -11.657 7.551 3.868 1.00 0.00 C ATOM 0 H TRP A 16 -9.758 0.863 6.883 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.163 3.288 5.302 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -10.806 2.719 7.728 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.879 4.207 7.743 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -13.094 2.810 6.500 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -14.304 4.474 4.934 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -9.234 6.077 5.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -13.659 6.857 3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.611 8.035 4.306 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.794 8.418 3.239 1.00 0.00 H new ATOM 249 N ALA A 17 -7.040 3.760 6.488 1.00 0.00 N ATOM 250 CA ALA A 17 -5.736 3.967 7.089 1.00 0.00 C ATOM 251 C ALA A 17 -5.599 5.393 7.524 1.00 0.00 C ATOM 252 O ALA A 17 -6.205 6.294 6.954 1.00 0.00 O ATOM 253 CB ALA A 17 -4.625 3.577 6.125 1.00 0.00 C ATOM 0 H ALA A 17 -7.219 4.329 5.661 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.646 3.326 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.657 3.741 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.725 2.524 5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.695 4.186 5.223 1.00 0.00 H new ATOM 259 N TYR A 18 -4.835 5.575 8.572 1.00 0.00 N ATOM 260 CA TYR A 18 -4.643 6.880 9.145 1.00 0.00 C ATOM 261 C TYR A 18 -3.215 7.365 8.958 1.00 0.00 C ATOM 262 O TYR A 18 -2.305 6.576 8.705 1.00 0.00 O ATOM 263 CB TYR A 18 -4.994 6.802 10.617 1.00 0.00 C ATOM 264 CG TYR A 18 -6.467 6.966 10.902 1.00 0.00 C ATOM 265 CD1 TYR A 18 -7.388 6.061 10.396 1.00 0.00 C ATOM 266 CD2 TYR A 18 -6.935 8.017 11.679 1.00 0.00 C ATOM 267 CE1 TYR A 18 -8.735 6.196 10.652 1.00 0.00 C ATOM 268 CE2 TYR A 18 -8.285 8.161 11.940 1.00 0.00 C ATOM 269 CZ TYR A 18 -9.181 7.248 11.425 1.00 0.00 C ATOM 270 OH TYR A 18 -10.525 7.386 11.685 1.00 0.00 O ATOM 0 H TYR A 18 -4.332 4.826 9.048 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.288 7.599 8.640 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.662 5.841 11.009 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.442 7.573 11.154 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.043 5.236 9.791 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.235 8.732 12.085 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.438 5.482 10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.636 8.984 12.544 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.670 8.177 12.244 1.00 0.00 H new ATOM 280 N GLY A 19 -3.036 8.675 9.053 1.00 0.00 N ATOM 281 CA GLY A 19 -1.729 9.256 8.861 1.00 0.00 C ATOM 282 C GLY A 19 -1.127 9.850 10.087 1.00 0.00 C ATOM 283 O GLY A 19 -1.642 9.740 11.199 1.00 0.00 O ATOM 0 H GLY A 19 -3.777 9.345 9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.057 8.488 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.799 10.029 8.095 1.00 0.00 H new ATOM 287 N HIS A 20 -0.001 10.464 9.841 1.00 0.00 N ATOM 288 CA HIS A 20 0.787 11.099 10.851 1.00 0.00 C ATOM 289 C HIS A 20 1.567 12.275 10.258 1.00 0.00 C ATOM 290 O HIS A 20 2.330 12.944 10.953 1.00 0.00 O ATOM 291 CB HIS A 20 1.698 10.029 11.429 1.00 0.00 C ATOM 292 CG HIS A 20 3.167 10.331 11.375 1.00 0.00 C ATOM 293 ND1 HIS A 20 4.002 9.765 10.437 1.00 0.00 N ATOM 294 CD2 HIS A 20 3.948 11.136 12.133 1.00 0.00 C ATOM 295 CE1 HIS A 20 5.229 10.203 10.614 1.00 0.00 C ATOM 296 NE2 HIS A 20 5.229 11.039 11.638 1.00 0.00 N ATOM 0 H HIS A 20 0.400 10.536 8.906 1.00 0.00 H new ATOM 0 HA HIS A 20 0.168 11.521 11.643 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.418 9.861 12.469 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.517 9.096 10.895 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.627 11.740 12.968 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.090 9.927 10.023 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.045 11.532 12.002 1.00 0.00 H new ATOM 305 N ASP A 21 1.356 12.518 8.961 1.00 0.00 N ATOM 306 CA ASP A 21 2.023 13.606 8.250 1.00 0.00 C ATOM 307 C ASP A 21 1.877 13.419 6.744 1.00 0.00 C ATOM 308 O ASP A 21 2.802 13.690 5.979 1.00 0.00 O ATOM 309 CB ASP A 21 3.509 13.672 8.627 1.00 0.00 C ATOM 310 CG ASP A 21 3.823 14.848 9.531 1.00 0.00 C ATOM 311 OD1 ASP A 21 2.925 15.269 10.290 1.00 0.00 O ATOM 312 OD2 ASP A 21 4.966 15.348 9.480 1.00 0.00 O ATOM 0 H ASP A 21 0.722 11.969 8.380 1.00 0.00 H new ATOM 0 HA ASP A 21 1.550 14.544 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.796 12.746 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.109 13.744 7.720 1.00 0.00 H new ATOM 317 N LEU A 22 0.707 12.935 6.330 1.00 0.00 N ATOM 318 CA LEU A 22 0.416 12.684 4.920 1.00 0.00 C ATOM 319 C LEU A 22 1.197 11.478 4.425 1.00 0.00 C ATOM 320 O LEU A 22 0.621 10.522 3.909 1.00 0.00 O ATOM 321 CB LEU A 22 0.736 13.915 4.057 1.00 0.00 C ATOM 322 CG LEU A 22 -0.458 14.810 3.716 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.540 14.016 2.998 1.00 0.00 C ATOM 324 CD2 LEU A 22 -1.012 15.468 4.972 1.00 0.00 C ATOM 0 H LEU A 22 -0.062 12.707 6.959 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.650 12.477 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.482 14.517 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.191 13.576 3.126 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.114 15.596 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.379 14.672 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.135 13.603 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.882 13.204 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.860 16.100 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.337 14.699 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.236 16.077 5.436 1.00 0.00 H new ATOM 336 N GLU A 23 2.508 11.517 4.597 1.00 0.00 N ATOM 337 CA GLU A 23 3.355 10.413 4.179 1.00 0.00 C ATOM 338 C GLU A 23 2.873 9.112 4.814 1.00 0.00 C ATOM 339 O GLU A 23 2.823 8.073 4.167 1.00 0.00 O ATOM 340 CB GLU A 23 4.813 10.679 4.576 1.00 0.00 C ATOM 341 CG GLU A 23 5.256 12.119 4.365 1.00 0.00 C ATOM 342 CD GLU A 23 5.486 12.858 5.670 1.00 0.00 C ATOM 343 OE1 GLU A 23 5.870 12.204 6.663 1.00 0.00 O ATOM 344 OE2 GLU A 23 5.282 14.090 5.698 1.00 0.00 O ATOM 0 H GLU A 23 3.007 12.299 5.022 1.00 0.00 H new ATOM 0 HA GLU A 23 3.297 10.322 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.947 10.418 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.462 10.021 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.175 12.130 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.500 12.646 3.782 1.00 0.00 H new ATOM 351 N GLU A 24 2.527 9.186 6.093 1.00 0.00 N ATOM 352 CA GLU A 24 2.068 8.022 6.845 1.00 0.00 C ATOM 353 C GLU A 24 0.904 7.280 6.177 1.00 0.00 C ATOM 354 O GLU A 24 0.922 6.051 6.097 1.00 0.00 O ATOM 355 CB GLU A 24 1.641 8.440 8.247 1.00 0.00 C ATOM 356 CG GLU A 24 1.489 7.270 9.204 1.00 0.00 C ATOM 357 CD GLU A 24 2.806 6.845 9.822 1.00 0.00 C ATOM 358 OE1 GLU A 24 3.807 6.753 9.080 1.00 0.00 O ATOM 359 OE2 GLU A 24 2.838 6.604 11.047 1.00 0.00 O ATOM 0 H GLU A 24 2.556 10.048 6.637 1.00 0.00 H new ATOM 0 HA GLU A 24 2.914 7.336 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.376 9.137 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.694 8.976 8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.792 7.542 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.053 6.425 8.672 1.00 0.00 H new ATOM 366 N VAL A 25 -0.127 8.007 5.738 1.00 0.00 N ATOM 367 CA VAL A 25 -1.298 7.355 5.133 1.00 0.00 C ATOM 368 C VAL A 25 -0.955 6.594 3.854 1.00 0.00 C ATOM 369 O VAL A 25 -1.478 5.504 3.620 1.00 0.00 O ATOM 370 CB VAL A 25 -2.451 8.341 4.831 1.00 0.00 C ATOM 371 CG1 VAL A 25 -3.367 8.478 6.036 1.00 0.00 C ATOM 372 CG2 VAL A 25 -1.928 9.701 4.401 1.00 0.00 C ATOM 0 H VAL A 25 -0.179 9.025 5.787 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.634 6.646 5.890 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.025 7.931 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.172 9.176 5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.791 7.505 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.796 8.852 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.767 10.366 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.315 10.123 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.326 9.591 3.499 1.00 0.00 H new ATOM 382 N PHE A 26 -0.096 7.166 3.024 1.00 0.00 N ATOM 383 CA PHE A 26 0.283 6.528 1.765 1.00 0.00 C ATOM 384 C PHE A 26 0.807 5.109 1.985 1.00 0.00 C ATOM 385 O PHE A 26 0.308 4.155 1.387 1.00 0.00 O ATOM 386 CB PHE A 26 1.325 7.378 1.041 1.00 0.00 C ATOM 387 CG PHE A 26 0.763 8.670 0.527 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.199 8.671 -0.470 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.184 9.883 1.047 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.727 9.857 -0.939 1.00 0.00 C ATOM 391 CE2 PHE A 26 0.658 11.072 0.580 1.00 0.00 C ATOM 392 CZ PHE A 26 -0.299 11.059 -0.414 1.00 0.00 C ATOM 0 H PHE A 26 0.352 8.066 3.195 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.610 6.452 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.150 7.590 1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.737 6.809 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.539 7.734 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.932 9.899 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.476 9.844 -1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.996 12.011 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.712 11.987 -0.780 1.00 0.00 H new ATOM 402 N GLU A 27 1.805 4.973 2.849 1.00 0.00 N ATOM 403 CA GLU A 27 2.386 3.667 3.149 1.00 0.00 C ATOM 404 C GLU A 27 1.407 2.816 3.950 1.00 0.00 C ATOM 405 O GLU A 27 1.368 1.594 3.803 1.00 0.00 O ATOM 406 CB GLU A 27 3.694 3.838 3.913 1.00 0.00 C ATOM 407 CG GLU A 27 4.934 3.731 3.030 1.00 0.00 C ATOM 408 CD GLU A 27 4.988 2.455 2.204 1.00 0.00 C ATOM 409 OE1 GLU A 27 4.010 1.679 2.231 1.00 0.00 O ATOM 410 OE2 GLU A 27 6.015 2.234 1.528 1.00 0.00 O ATOM 0 H GLU A 27 2.230 5.750 3.355 1.00 0.00 H new ATOM 0 HA GLU A 27 2.594 3.154 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.692 4.810 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.749 3.082 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.967 4.589 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.823 3.784 3.659 1.00 0.00 H new ATOM 417 N ASN A 28 0.608 3.471 4.787 1.00 0.00 N ATOM 418 CA ASN A 28 -0.380 2.773 5.600 1.00 0.00 C ATOM 419 C ASN A 28 -1.384 2.045 4.710 1.00 0.00 C ATOM 420 O ASN A 28 -1.947 1.023 5.100 1.00 0.00 O ATOM 421 CB ASN A 28 -1.110 3.754 6.517 1.00 0.00 C ATOM 422 CG ASN A 28 -1.824 3.055 7.658 1.00 0.00 C ATOM 423 OD1 ASN A 28 -1.939 1.829 7.674 1.00 0.00 O ATOM 424 ND2 ASN A 28 -2.309 3.833 8.619 1.00 0.00 N ATOM 0 H ASN A 28 0.626 4.482 4.919 1.00 0.00 H new ATOM 0 HA ASN A 28 0.141 2.040 6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.395 4.469 6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.833 4.323 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.800 3.419 9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.190 4.845 8.565 1.00 0.00 H new ATOM 431 N ALA A 29 -1.596 2.577 3.507 1.00 0.00 N ATOM 432 CA ALA A 29 -2.524 1.975 2.556 1.00 0.00 C ATOM 433 C ALA A 29 -2.158 0.520 2.293 1.00 0.00 C ATOM 434 O ALA A 29 -3.018 -0.362 2.305 1.00 0.00 O ATOM 435 CB ALA A 29 -2.534 2.764 1.255 1.00 0.00 C ATOM 0 H ALA A 29 -1.137 3.423 3.170 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.524 2.003 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.231 2.303 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.845 3.790 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.533 2.765 0.823 1.00 0.00 H new ATOM 441 N ALA A 30 -0.872 0.276 2.068 1.00 0.00 N ATOM 442 CA ALA A 30 -0.385 -1.072 1.813 1.00 0.00 C ATOM 443 C ALA A 30 -0.531 -1.943 3.057 1.00 0.00 C ATOM 444 O ALA A 30 -0.671 -3.162 2.960 1.00 0.00 O ATOM 445 CB ALA A 30 1.068 -1.032 1.361 1.00 0.00 C ATOM 0 H ALA A 30 -0.149 0.995 2.057 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.987 -1.510 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.419 -2.047 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.148 -0.446 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.679 -0.575 2.139 1.00 0.00 H new ATOM 451 N LEU A 31 -0.497 -1.307 4.225 1.00 0.00 N ATOM 452 CA LEU A 31 -0.624 -2.021 5.492 1.00 0.00 C ATOM 453 C LEU A 31 -1.934 -2.800 5.558 1.00 0.00 C ATOM 454 O LEU A 31 -1.935 -4.014 5.763 1.00 0.00 O ATOM 455 CB LEU A 31 -0.541 -1.036 6.662 1.00 0.00 C ATOM 456 CG LEU A 31 0.354 -1.483 7.823 1.00 0.00 C ATOM 457 CD1 LEU A 31 1.347 -0.390 8.186 1.00 0.00 C ATOM 458 CD2 LEU A 31 -0.488 -1.864 9.032 1.00 0.00 C ATOM 0 H LEU A 31 -0.382 -0.298 4.320 1.00 0.00 H new ATOM 0 HA LEU A 31 0.198 -2.733 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.174 -0.080 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.547 -0.864 7.044 1.00 0.00 H new ATOM 0 HG LEU A 31 0.914 -2.362 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.973 -0.727 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.974 -0.167 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.806 0.509 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.165 -2.179 9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.077 -1.004 9.351 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.157 -2.683 8.766 1.00 0.00 H new ATOM 470 N ALA A 32 -3.049 -2.096 5.387 1.00 0.00 N ATOM 471 CA ALA A 32 -4.365 -2.724 5.432 1.00 0.00 C ATOM 472 C ALA A 32 -4.465 -3.877 4.436 1.00 0.00 C ATOM 473 O ALA A 32 -5.032 -4.926 4.741 1.00 0.00 O ATOM 474 CB ALA A 32 -5.451 -1.694 5.154 1.00 0.00 C ATOM 0 H ALA A 32 -3.067 -1.091 5.216 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.507 -3.131 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.428 -2.176 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.407 -0.906 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.297 -1.261 4.166 1.00 0.00 H new ATOM 480 N MET A 33 -3.916 -3.672 3.244 1.00 0.00 N ATOM 481 CA MET A 33 -3.948 -4.692 2.200 1.00 0.00 C ATOM 482 C MET A 33 -3.012 -5.851 2.529 1.00 0.00 C ATOM 483 O MET A 33 -3.401 -7.016 2.446 1.00 0.00 O ATOM 484 CB MET A 33 -3.565 -4.079 0.852 1.00 0.00 C ATOM 485 CG MET A 33 -3.956 -4.940 -0.338 1.00 0.00 C ATOM 486 SD MET A 33 -2.597 -5.969 -0.928 1.00 0.00 S ATOM 487 CE MET A 33 -3.304 -6.634 -2.432 1.00 0.00 C ATOM 0 H MET A 33 -3.443 -2.809 2.976 1.00 0.00 H new ATOM 0 HA MET A 33 -4.964 -5.082 2.143 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.042 -3.103 0.757 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.488 -3.911 0.831 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.795 -5.578 -0.060 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.299 -4.298 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.898 -7.629 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.387 -6.698 -2.328 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.058 -5.981 -3.269 1.00 0.00 H new ATOM 497 N PHE A 34 -1.777 -5.526 2.899 1.00 0.00 N ATOM 498 CA PHE A 34 -0.789 -6.545 3.235 1.00 0.00 C ATOM 499 C PHE A 34 -1.195 -7.311 4.490 1.00 0.00 C ATOM 500 O PHE A 34 -1.064 -8.533 4.551 1.00 0.00 O ATOM 501 CB PHE A 34 0.587 -5.907 3.437 1.00 0.00 C ATOM 502 CG PHE A 34 1.429 -5.889 2.192 1.00 0.00 C ATOM 503 CD1 PHE A 34 1.747 -7.069 1.540 1.00 0.00 C ATOM 504 CD2 PHE A 34 1.904 -4.694 1.678 1.00 0.00 C ATOM 505 CE1 PHE A 34 2.523 -7.057 0.396 1.00 0.00 C ATOM 506 CE2 PHE A 34 2.680 -4.675 0.534 1.00 0.00 C ATOM 507 CZ PHE A 34 2.989 -5.858 -0.107 1.00 0.00 C ATOM 0 H PHE A 34 -1.437 -4.567 2.974 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.738 -7.249 2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.456 -4.885 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.119 -6.450 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.385 -8.009 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.665 -3.766 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.764 -7.984 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.044 -3.736 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.595 -5.846 -1.001 1.00 0.00 H new ATOM 517 N GLU A 35 -1.687 -6.585 5.489 1.00 0.00 N ATOM 518 CA GLU A 35 -2.112 -7.197 6.744 1.00 0.00 C ATOM 519 C GLU A 35 -3.111 -8.324 6.496 1.00 0.00 C ATOM 520 O GLU A 35 -3.170 -9.293 7.252 1.00 0.00 O ATOM 521 CB GLU A 35 -2.732 -6.145 7.664 1.00 0.00 C ATOM 522 CG GLU A 35 -1.711 -5.387 8.497 1.00 0.00 C ATOM 523 CD GLU A 35 -2.073 -5.345 9.969 1.00 0.00 C ATOM 524 OE1 GLU A 35 -3.020 -4.613 10.328 1.00 0.00 O ATOM 525 OE2 GLU A 35 -1.409 -6.043 10.764 1.00 0.00 O ATOM 0 H GLU A 35 -1.801 -5.572 5.454 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.231 -7.620 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.296 -5.434 7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.443 -6.632 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.733 -5.855 8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.624 -4.368 8.119 1.00 0.00 H new ATOM 532 N VAL A 36 -3.893 -8.188 5.430 1.00 0.00 N ATOM 533 CA VAL A 36 -4.890 -9.193 5.082 1.00 0.00 C ATOM 534 C VAL A 36 -4.346 -10.177 4.052 1.00 0.00 C ATOM 535 O VAL A 36 -4.603 -11.378 4.130 1.00 0.00 O ATOM 536 CB VAL A 36 -6.170 -8.543 4.524 1.00 0.00 C ATOM 537 CG1 VAL A 36 -7.267 -9.583 4.353 1.00 0.00 C ATOM 538 CG2 VAL A 36 -6.634 -7.408 5.428 1.00 0.00 C ATOM 0 H VAL A 36 -3.855 -7.392 4.793 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.131 -9.729 6.000 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.944 -8.124 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.163 -9.105 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.932 -10.355 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.493 -10.036 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.539 -6.962 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.842 -7.798 6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.853 -6.651 5.491 1.00 0.00 H new ATOM 548 N MET A 37 -3.594 -9.659 3.087 1.00 0.00 N ATOM 549 CA MET A 37 -3.015 -10.493 2.039 1.00 0.00 C ATOM 550 C MET A 37 -2.115 -11.571 2.634 1.00 0.00 C ATOM 551 O MET A 37 -2.085 -12.703 2.152 1.00 0.00 O ATOM 552 CB MET A 37 -2.222 -9.631 1.052 1.00 0.00 C ATOM 553 CG MET A 37 -2.793 -9.639 -0.356 1.00 0.00 C ATOM 554 SD MET A 37 -1.951 -10.811 -1.439 1.00 0.00 S ATOM 555 CE MET A 37 -2.961 -12.272 -1.207 1.00 0.00 C ATOM 0 H MET A 37 -3.371 -8.667 3.008 1.00 0.00 H new ATOM 0 HA MET A 37 -3.830 -10.983 1.507 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.195 -8.605 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.192 -9.985 1.019 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.853 -9.887 -0.313 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.717 -8.638 -0.781 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.330 -13.104 -0.895 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.711 -12.078 -0.441 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.457 -12.524 -2.144 1.00 0.00 H new ATOM 565 N THR A 38 -1.382 -11.213 3.684 1.00 0.00 N ATOM 566 CA THR A 38 -0.481 -12.155 4.343 1.00 0.00 C ATOM 567 C THR A 38 0.255 -11.488 5.501 1.00 0.00 C ATOM 568 O THR A 38 -0.037 -10.349 5.864 1.00 0.00 O ATOM 569 CB THR A 38 0.525 -12.720 3.338 1.00 0.00 C ATOM 570 OG1 THR A 38 0.619 -11.883 2.198 1.00 0.00 O ATOM 571 CG2 THR A 38 0.172 -14.112 2.858 1.00 0.00 C ATOM 0 H THR A 38 -1.393 -10.280 4.097 1.00 0.00 H new ATOM 0 HA THR A 38 -1.081 -12.972 4.743 1.00 0.00 H new ATOM 0 HB THR A 38 1.474 -12.767 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.999 -12.390 1.450 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.925 -14.454 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.140 -14.793 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.803 -14.093 2.371 1.00 0.00 H new ATOM 579 N ASP A 39 1.212 -12.207 6.080 1.00 0.00 N ATOM 580 CA ASP A 39 1.990 -11.687 7.198 1.00 0.00 C ATOM 581 C ASP A 39 3.466 -12.044 7.048 1.00 0.00 C ATOM 582 O ASP A 39 3.808 -13.104 6.521 1.00 0.00 O ATOM 583 CB ASP A 39 1.447 -12.233 8.520 1.00 0.00 C ATOM 584 CG ASP A 39 0.844 -11.148 9.391 1.00 0.00 C ATOM 585 OD1 ASP A 39 -0.216 -10.604 9.013 1.00 0.00 O ATOM 586 OD2 ASP A 39 1.430 -10.843 10.451 1.00 0.00 O ATOM 0 H ASP A 39 1.467 -13.152 5.793 1.00 0.00 H new ATOM 0 HA ASP A 39 1.900 -10.601 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.691 -12.991 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.253 -12.726 9.064 1.00 0.00 H new ATOM 591 N THR A 40 4.338 -11.156 7.518 1.00 0.00 N ATOM 592 CA THR A 40 5.780 -11.385 7.437 1.00 0.00 C ATOM 593 C THR A 40 6.154 -12.679 8.152 1.00 0.00 C ATOM 594 O THR A 40 6.979 -13.452 7.664 1.00 0.00 O ATOM 595 CB THR A 40 6.563 -10.201 8.031 1.00 0.00 C ATOM 596 OG1 THR A 40 7.809 -10.633 8.552 1.00 0.00 O ATOM 597 CG2 THR A 40 5.832 -9.479 9.148 1.00 0.00 C ATOM 0 H THR A 40 4.074 -10.274 7.957 1.00 0.00 H new ATOM 0 HA THR A 40 6.048 -11.475 6.384 1.00 0.00 H new ATOM 0 HB THR A 40 6.692 -9.508 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.339 -9.854 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.448 -8.658 9.515 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.889 -9.085 8.770 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.634 -10.175 9.963 1.00 0.00 H new ATOM 605 N SER A 41 5.533 -12.912 9.304 1.00 0.00 N ATOM 606 CA SER A 41 5.787 -14.117 10.088 1.00 0.00 C ATOM 607 C SER A 41 7.191 -14.110 10.689 1.00 0.00 C ATOM 608 O SER A 41 7.348 -14.121 11.910 1.00 0.00 O ATOM 609 CB SER A 41 5.592 -15.366 9.226 1.00 0.00 C ATOM 610 OG SER A 41 5.614 -16.542 10.018 1.00 0.00 O ATOM 0 H SER A 41 4.847 -12.280 9.717 1.00 0.00 H new ATOM 0 HA SER A 41 5.070 -14.133 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.643 -15.300 8.694 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.377 -15.417 8.472 1.00 0.00 H new ATOM 0 HG SER A 41 5.486 -17.326 9.444 1.00 0.00 H new ATOM 616 N LEU A 42 8.209 -14.098 9.833 1.00 0.00 N ATOM 617 CA LEU A 42 9.592 -14.095 10.302 1.00 0.00 C ATOM 618 C LEU A 42 10.515 -13.370 9.326 1.00 0.00 C ATOM 619 O LEU A 42 11.677 -13.745 9.165 1.00 0.00 O ATOM 620 CB LEU A 42 10.091 -15.528 10.526 1.00 0.00 C ATOM 621 CG LEU A 42 9.718 -16.548 9.442 1.00 0.00 C ATOM 622 CD1 LEU A 42 8.274 -17.002 9.601 1.00 0.00 C ATOM 623 CD2 LEU A 42 9.953 -15.976 8.051 1.00 0.00 C ATOM 0 H LEU A 42 8.104 -14.090 8.818 1.00 0.00 H new ATOM 0 HA LEU A 42 9.612 -13.558 11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.177 -15.503 10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.701 -15.882 11.480 1.00 0.00 H new ATOM 0 HG LEU A 42 10.364 -17.418 9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.032 -17.725 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.144 -17.466 10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.611 -16.141 9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.681 -16.719 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.341 -15.084 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.005 -15.715 7.938 1.00 0.00 H new ATOM 635 N VAL A 43 9.999 -12.329 8.684 1.00 0.00 N ATOM 636 CA VAL A 43 10.786 -11.554 7.734 1.00 0.00 C ATOM 637 C VAL A 43 11.479 -10.384 8.426 1.00 0.00 C ATOM 638 O VAL A 43 10.826 -9.460 8.911 1.00 0.00 O ATOM 639 CB VAL A 43 9.915 -11.012 6.583 1.00 0.00 C ATOM 640 CG1 VAL A 43 10.788 -10.449 5.473 1.00 0.00 C ATOM 641 CG2 VAL A 43 8.993 -12.100 6.050 1.00 0.00 C ATOM 0 H VAL A 43 9.040 -12.003 8.804 1.00 0.00 H new ATOM 0 HA VAL A 43 11.535 -12.229 7.321 1.00 0.00 H new ATOM 0 HB VAL A 43 9.295 -10.204 6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.156 -10.071 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.399 -9.637 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.436 -11.235 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.387 -11.698 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.590 -12.933 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.341 -12.449 6.851 1.00 0.00 H new ATOM 651 N GLU A 44 12.806 -10.436 8.472 1.00 0.00 N ATOM 652 CA GLU A 44 13.595 -9.385 9.109 1.00 0.00 C ATOM 653 C GLU A 44 14.050 -8.339 8.095 1.00 0.00 C ATOM 654 O GLU A 44 14.964 -7.559 8.365 1.00 0.00 O ATOM 655 CB GLU A 44 14.813 -9.995 9.792 1.00 0.00 C ATOM 656 CG GLU A 44 14.533 -10.515 11.193 1.00 0.00 C ATOM 657 CD GLU A 44 14.214 -9.404 12.174 1.00 0.00 C ATOM 658 OE1 GLU A 44 14.943 -8.389 12.178 1.00 0.00 O ATOM 659 OE2 GLU A 44 13.237 -9.547 12.938 1.00 0.00 O ATOM 0 H GLU A 44 13.359 -11.196 8.075 1.00 0.00 H new ATOM 0 HA GLU A 44 12.964 -8.892 9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.190 -10.814 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.603 -9.246 9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.697 -11.214 11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.399 -11.072 11.550 1.00 0.00 H new ATOM 666 N ALA A 45 13.415 -8.333 6.927 1.00 0.00 N ATOM 667 CA ALA A 45 13.754 -7.390 5.862 1.00 0.00 C ATOM 668 C ALA A 45 14.999 -7.846 5.111 1.00 0.00 C ATOM 669 O ALA A 45 16.086 -7.300 5.299 1.00 0.00 O ATOM 670 CB ALA A 45 13.951 -5.986 6.420 1.00 0.00 C ATOM 0 H ALA A 45 12.658 -8.974 6.691 1.00 0.00 H new ATOM 0 HA ALA A 45 12.920 -7.364 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.202 -5.304 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.032 -5.654 6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.760 -5.995 7.150 1.00 0.00 H new ATOM 676 N ALA A 46 14.831 -8.856 4.265 1.00 0.00 N ATOM 677 CA ALA A 46 15.937 -9.398 3.487 1.00 0.00 C ATOM 678 C ALA A 46 16.242 -8.526 2.277 1.00 0.00 C ATOM 679 O ALA A 46 17.401 -8.241 1.978 1.00 0.00 O ATOM 680 CB ALA A 46 15.618 -10.817 3.042 1.00 0.00 C ATOM 0 H ALA A 46 13.936 -9.317 4.101 1.00 0.00 H new ATOM 0 HA ALA A 46 16.822 -9.412 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.451 -11.212 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.456 -11.445 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.718 -10.812 2.427 1.00 0.00 H new ATOM 686 N GLU A 47 15.192 -8.118 1.578 1.00 0.00 N ATOM 687 CA GLU A 47 15.336 -7.291 0.388 1.00 0.00 C ATOM 688 C GLU A 47 14.739 -5.914 0.605 1.00 0.00 C ATOM 689 O GLU A 47 14.064 -5.672 1.601 1.00 0.00 O ATOM 690 CB GLU A 47 14.646 -7.951 -0.798 1.00 0.00 C ATOM 691 CG GLU A 47 14.894 -9.448 -0.894 1.00 0.00 C ATOM 692 CD GLU A 47 16.204 -9.781 -1.580 1.00 0.00 C ATOM 693 OE1 GLU A 47 16.652 -8.980 -2.427 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.781 -10.845 -1.270 1.00 0.00 O ATOM 0 H GLU A 47 14.227 -8.347 1.816 1.00 0.00 H new ATOM 0 HA GLU A 47 16.402 -7.186 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.573 -7.773 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.988 -7.475 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.894 -9.877 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.074 -9.914 -1.440 1.00 0.00 H new ATOM 701 N GLU A 48 14.983 -5.018 -0.344 1.00 0.00 N ATOM 702 CA GLU A 48 14.453 -3.666 -0.267 1.00 0.00 C ATOM 703 C GLU A 48 14.023 -3.176 -1.646 1.00 0.00 C ATOM 704 O GLU A 48 14.688 -3.446 -2.646 1.00 0.00 O ATOM 705 CB GLU A 48 15.489 -2.715 0.334 1.00 0.00 C ATOM 706 CG GLU A 48 14.970 -1.301 0.539 1.00 0.00 C ATOM 707 CD GLU A 48 15.983 -0.244 0.143 1.00 0.00 C ATOM 708 OE1 GLU A 48 17.197 -0.515 0.250 1.00 0.00 O ATOM 709 OE2 GLU A 48 15.561 0.855 -0.277 1.00 0.00 O ATOM 0 H GLU A 48 15.544 -5.205 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 48 13.578 -3.681 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.823 -3.113 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.361 -2.682 -0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.060 -1.164 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.700 -1.166 1.586 1.00 0.00 H new ATOM 716 N ARG A 49 12.908 -2.455 -1.693 1.00 0.00 N ATOM 717 CA ARG A 49 12.390 -1.931 -2.952 1.00 0.00 C ATOM 718 C ARG A 49 11.908 -0.493 -2.787 1.00 0.00 C ATOM 719 O ARG A 49 11.047 -0.208 -1.955 1.00 0.00 O ATOM 720 CB ARG A 49 11.245 -2.808 -3.461 1.00 0.00 C ATOM 721 CG ARG A 49 10.194 -3.107 -2.403 1.00 0.00 C ATOM 722 CD ARG A 49 8.783 -2.900 -2.936 1.00 0.00 C ATOM 723 NE ARG A 49 8.061 -4.163 -3.070 1.00 0.00 N ATOM 724 CZ ARG A 49 6.735 -4.253 -3.156 1.00 0.00 C ATOM 725 NH1 ARG A 49 5.984 -3.159 -3.124 1.00 0.00 N ATOM 726 NH2 ARG A 49 6.159 -5.441 -3.274 1.00 0.00 N ATOM 0 H ARG A 49 12.346 -2.220 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 49 13.200 -1.942 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.767 -2.314 -4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.654 -3.748 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.306 -4.135 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.355 -2.463 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.235 -2.238 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.830 -2.404 -3.905 1.00 0.00 H new ATOM 0 HE ARG A 49 8.604 -5.026 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.422 -2.242 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.969 -3.235 -3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.731 -6.285 -3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.144 -5.511 -3.340 1.00 0.00 H new ATOM 740 N ARG A 50 12.468 0.408 -3.588 1.00 0.00 N ATOM 741 CA ARG A 50 12.095 1.817 -3.533 1.00 0.00 C ATOM 742 C ARG A 50 11.240 2.197 -4.738 1.00 0.00 C ATOM 743 O ARG A 50 11.463 1.714 -5.847 1.00 0.00 O ATOM 744 CB ARG A 50 13.344 2.699 -3.481 1.00 0.00 C ATOM 745 CG ARG A 50 14.456 2.234 -4.408 1.00 0.00 C ATOM 746 CD ARG A 50 15.645 3.184 -4.379 1.00 0.00 C ATOM 747 NE ARG A 50 15.246 4.568 -4.630 1.00 0.00 N ATOM 748 CZ ARG A 50 14.876 5.421 -3.676 1.00 0.00 C ATOM 749 NH1 ARG A 50 14.839 5.037 -2.405 1.00 0.00 N ATOM 750 NH2 ARG A 50 14.537 6.662 -3.995 1.00 0.00 N ATOM 0 H ARG A 50 13.182 0.187 -4.283 1.00 0.00 H new ATOM 0 HA ARG A 50 11.511 1.977 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.068 3.721 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.720 2.722 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 50 14.780 1.235 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.074 2.159 -5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 50 16.138 3.119 -3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 50 16.374 2.875 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 50 15.251 4.901 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.095 4.082 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.555 5.697 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.560 6.962 -4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.253 7.317 -3.266 1.00 0.00 H new ATOM 764 N VAL A 51 10.258 3.063 -4.511 1.00 0.00 N ATOM 765 CA VAL A 51 9.369 3.506 -5.577 1.00 0.00 C ATOM 766 C VAL A 51 9.250 5.025 -5.601 1.00 0.00 C ATOM 767 O VAL A 51 9.288 5.675 -4.557 1.00 0.00 O ATOM 768 CB VAL A 51 7.963 2.896 -5.422 1.00 0.00 C ATOM 769 CG1 VAL A 51 7.100 3.225 -6.631 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.055 1.391 -5.216 1.00 0.00 C ATOM 0 H VAL A 51 10.058 3.472 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 51 9.806 3.165 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 51 7.492 3.333 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.111 2.785 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.007 4.307 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.563 2.819 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.053 0.977 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.546 0.935 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.633 1.182 -4.316 1.00 0.00 H new ATOM 780 N GLU A 52 9.096 5.584 -6.797 1.00 0.00 N ATOM 781 CA GLU A 52 8.958 7.027 -6.962 1.00 0.00 C ATOM 782 C GLU A 52 7.694 7.337 -7.744 1.00 0.00 C ATOM 783 O GLU A 52 7.406 6.695 -8.754 1.00 0.00 O ATOM 784 CB GLU A 52 10.182 7.620 -7.668 1.00 0.00 C ATOM 785 CG GLU A 52 10.924 6.631 -8.552 1.00 0.00 C ATOM 786 CD GLU A 52 11.638 7.303 -9.708 1.00 0.00 C ATOM 787 OE1 GLU A 52 12.670 7.964 -9.465 1.00 0.00 O ATOM 788 OE2 GLU A 52 11.166 7.169 -10.857 1.00 0.00 O ATOM 0 H GLU A 52 9.064 5.057 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 52 8.888 7.483 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.863 8.467 -8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.870 8.008 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.650 6.085 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.218 5.898 -8.943 1.00 0.00 H new ATOM 795 N ILE A 53 6.924 8.299 -7.260 1.00 0.00 N ATOM 796 CA ILE A 53 5.673 8.652 -7.912 1.00 0.00 C ATOM 797 C ILE A 53 5.435 10.155 -7.938 1.00 0.00 C ATOM 798 O ILE A 53 5.815 10.863 -7.011 1.00 0.00 O ATOM 799 CB ILE A 53 4.482 7.988 -7.200 1.00 0.00 C ATOM 800 CG1 ILE A 53 4.949 6.846 -6.293 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.501 7.476 -8.228 1.00 0.00 C ATOM 802 CD1 ILE A 53 3.834 6.231 -5.480 1.00 0.00 C ATOM 0 H ILE A 53 7.140 8.845 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 53 5.754 8.293 -8.938 1.00 0.00 H new ATOM 0 HB ILE A 53 3.992 8.732 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.412 6.072 -6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.718 7.220 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.657 7.006 -7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.143 8.308 -8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.994 6.745 -8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.235 5.429 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.386 6.993 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.075 5.827 -6.150 1.00 0.00 H new ATOM 814 N THR A 54 4.776 10.635 -8.991 1.00 0.00 N ATOM 815 CA THR A 54 4.464 12.055 -9.090 1.00 0.00 C ATOM 816 C THR A 54 2.958 12.272 -9.235 1.00 0.00 C ATOM 817 O THR A 54 2.366 11.941 -10.262 1.00 0.00 O ATOM 818 CB THR A 54 5.194 12.678 -10.282 1.00 0.00 C ATOM 819 OG1 THR A 54 4.541 12.352 -11.496 1.00 0.00 O ATOM 820 CG2 THR A 54 6.636 12.235 -10.404 1.00 0.00 C ATOM 0 H THR A 54 4.453 10.069 -9.776 1.00 0.00 H new ATOM 0 HA THR A 54 4.799 12.539 -8.173 1.00 0.00 H new ATOM 0 HB THR A 54 5.177 13.752 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.740 11.821 -11.304 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.092 12.715 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.181 12.518 -9.503 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.675 11.153 -10.527 1.00 0.00 H new ATOM 828 N SER A 55 2.357 12.864 -8.209 1.00 0.00 N ATOM 829 CA SER A 55 0.932 13.176 -8.212 1.00 0.00 C ATOM 830 C SER A 55 0.734 14.671 -7.990 1.00 0.00 C ATOM 831 O SER A 55 1.651 15.358 -7.548 1.00 0.00 O ATOM 832 CB SER A 55 0.190 12.360 -7.149 1.00 0.00 C ATOM 833 OG SER A 55 -0.465 13.195 -6.209 1.00 0.00 O ATOM 0 H SER A 55 2.841 13.140 -7.355 1.00 0.00 H new ATOM 0 HA SER A 55 0.514 12.906 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.542 11.713 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.896 11.711 -6.630 1.00 0.00 H new ATOM 0 HG SER A 55 -1.292 13.545 -6.602 1.00 0.00 H new ATOM 839 N GLU A 56 -0.454 15.178 -8.286 1.00 0.00 N ATOM 840 CA GLU A 56 -0.725 16.597 -8.095 1.00 0.00 C ATOM 841 C GLU A 56 -2.129 16.828 -7.549 1.00 0.00 C ATOM 842 O GLU A 56 -2.925 17.555 -8.145 1.00 0.00 O ATOM 843 CB GLU A 56 -0.540 17.353 -9.412 1.00 0.00 C ATOM 844 CG GLU A 56 0.686 16.912 -10.192 1.00 0.00 C ATOM 845 CD GLU A 56 1.157 17.961 -11.181 1.00 0.00 C ATOM 846 OE1 GLU A 56 1.356 19.122 -10.766 1.00 0.00 O ATOM 847 OE2 GLU A 56 1.325 17.621 -12.371 1.00 0.00 O ATOM 0 H GLU A 56 -1.237 14.637 -8.654 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.014 16.977 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.426 17.212 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.464 18.420 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.493 16.686 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.459 15.990 -10.727 1.00 0.00 H new ATOM 854 N ASP A 57 -2.431 16.210 -6.409 1.00 0.00 N ATOM 855 CA ASP A 57 -3.748 16.364 -5.795 1.00 0.00 C ATOM 856 C ASP A 57 -3.871 15.578 -4.488 1.00 0.00 C ATOM 857 O ASP A 57 -4.979 15.262 -4.058 1.00 0.00 O ATOM 858 CB ASP A 57 -4.835 15.916 -6.773 1.00 0.00 C ATOM 859 CG ASP A 57 -6.066 16.801 -6.716 1.00 0.00 C ATOM 860 OD1 ASP A 57 -6.411 17.266 -5.611 1.00 0.00 O ATOM 861 OD2 ASP A 57 -6.684 17.026 -7.778 1.00 0.00 O ATOM 0 H ASP A 57 -1.790 15.604 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.876 17.420 -5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.433 15.922 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.120 14.888 -6.549 1.00 0.00 H new ATOM 866 N ARG A 58 -2.738 15.271 -3.856 1.00 0.00 N ATOM 867 CA ARG A 58 -2.742 14.525 -2.598 1.00 0.00 C ATOM 868 C ARG A 58 -3.373 13.146 -2.780 1.00 0.00 C ATOM 869 O ARG A 58 -2.674 12.132 -2.807 1.00 0.00 O ATOM 870 CB ARG A 58 -3.498 15.305 -1.521 1.00 0.00 C ATOM 871 CG ARG A 58 -2.815 16.603 -1.115 1.00 0.00 C ATOM 872 CD ARG A 58 -2.116 16.473 0.230 1.00 0.00 C ATOM 873 NE ARG A 58 -0.664 16.574 0.104 1.00 0.00 N ATOM 874 CZ ARG A 58 -0.009 17.726 -0.029 1.00 0.00 C ATOM 875 NH1 ARG A 58 -0.672 18.876 -0.055 1.00 0.00 N ATOM 876 NH2 ARG A 58 1.312 17.728 -0.137 1.00 0.00 N ATOM 0 H ARG A 58 -1.810 15.526 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.707 14.391 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.501 15.530 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.612 14.674 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.089 16.886 -1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.554 17.403 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.477 17.251 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.375 15.516 0.682 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.120 15.711 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.689 18.881 0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.165 19.755 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.827 16.848 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.814 18.610 -0.239 1.00 0.00 H new ATOM 890 N VAL A 59 -4.697 13.114 -2.906 1.00 0.00 N ATOM 891 CA VAL A 59 -5.420 11.861 -3.088 1.00 0.00 C ATOM 892 C VAL A 59 -4.868 11.075 -4.273 1.00 0.00 C ATOM 893 O VAL A 59 -4.704 9.858 -4.199 1.00 0.00 O ATOM 894 CB VAL A 59 -6.928 12.103 -3.298 1.00 0.00 C ATOM 895 CG1 VAL A 59 -7.529 12.804 -2.090 1.00 0.00 C ATOM 896 CG2 VAL A 59 -7.175 12.907 -4.568 1.00 0.00 C ATOM 0 H VAL A 59 -5.291 13.943 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.281 11.281 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.417 11.136 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.594 12.967 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.390 12.185 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.034 13.764 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.246 13.066 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.672 13.871 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.784 12.361 -5.426 1.00 0.00 H new ATOM 906 N SER A 60 -4.572 11.780 -5.362 1.00 0.00 N ATOM 907 CA SER A 60 -4.026 11.143 -6.556 1.00 0.00 C ATOM 908 C SER A 60 -2.753 10.384 -6.210 1.00 0.00 C ATOM 909 O SER A 60 -2.539 9.266 -6.678 1.00 0.00 O ATOM 910 CB SER A 60 -3.738 12.188 -7.636 1.00 0.00 C ATOM 911 OG SER A 60 -4.066 11.695 -8.924 1.00 0.00 O ATOM 0 H SER A 60 -4.701 12.789 -5.442 1.00 0.00 H new ATOM 0 HA SER A 60 -4.764 10.439 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.311 13.093 -7.433 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.684 12.465 -7.607 1.00 0.00 H new ATOM 0 HG SER A 60 -3.874 12.382 -9.596 1.00 0.00 H new ATOM 917 N LEU A 61 -1.919 10.990 -5.368 1.00 0.00 N ATOM 918 CA LEU A 61 -0.680 10.360 -4.938 1.00 0.00 C ATOM 919 C LEU A 61 -0.976 8.979 -4.362 1.00 0.00 C ATOM 920 O LEU A 61 -0.203 8.039 -4.538 1.00 0.00 O ATOM 921 CB LEU A 61 0.014 11.239 -3.895 1.00 0.00 C ATOM 922 CG LEU A 61 1.479 10.903 -3.620 1.00 0.00 C ATOM 923 CD1 LEU A 61 2.353 11.332 -4.790 1.00 0.00 C ATOM 924 CD2 LEU A 61 1.940 11.570 -2.332 1.00 0.00 C ATOM 0 H LEU A 61 -2.081 11.916 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.016 10.246 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.047 12.277 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.539 11.166 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 61 1.573 9.823 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.393 11.085 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.034 10.811 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.259 12.408 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.985 11.322 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.834 12.651 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.331 11.215 -1.500 1.00 0.00 H new ATOM 936 N LEU A 62 -2.119 8.869 -3.690 1.00 0.00 N ATOM 937 CA LEU A 62 -2.549 7.607 -3.099 1.00 0.00 C ATOM 938 C LEU A 62 -3.000 6.638 -4.191 1.00 0.00 C ATOM 939 O LEU A 62 -2.596 5.476 -4.211 1.00 0.00 O ATOM 940 CB LEU A 62 -3.698 7.849 -2.111 1.00 0.00 C ATOM 941 CG LEU A 62 -3.953 6.732 -1.085 1.00 0.00 C ATOM 942 CD1 LEU A 62 -3.661 5.359 -1.679 1.00 0.00 C ATOM 943 CD2 LEU A 62 -3.114 6.957 0.164 1.00 0.00 C ATOM 0 H LEU A 62 -2.766 9.643 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.706 7.170 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.496 8.773 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.613 8.007 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.008 6.763 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.851 4.591 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.306 5.191 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.618 5.312 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.306 6.158 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.057 6.959 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.377 7.916 0.611 1.00 0.00 H new ATOM 955 N TYR A 63 -3.846 7.130 -5.092 1.00 0.00 N ATOM 956 CA TYR A 63 -4.364 6.316 -6.186 1.00 0.00 C ATOM 957 C TYR A 63 -3.233 5.701 -7.003 1.00 0.00 C ATOM 958 O TYR A 63 -3.322 4.552 -7.437 1.00 0.00 O ATOM 959 CB TYR A 63 -5.264 7.159 -7.093 1.00 0.00 C ATOM 960 CG TYR A 63 -5.875 6.379 -8.235 1.00 0.00 C ATOM 961 CD1 TYR A 63 -5.127 6.059 -9.362 1.00 0.00 C ATOM 962 CD2 TYR A 63 -7.200 5.961 -8.186 1.00 0.00 C ATOM 963 CE1 TYR A 63 -5.682 5.347 -10.407 1.00 0.00 C ATOM 964 CE2 TYR A 63 -7.760 5.248 -9.228 1.00 0.00 C ATOM 965 CZ TYR A 63 -6.999 4.943 -10.336 1.00 0.00 C ATOM 966 OH TYR A 63 -7.554 4.233 -11.375 1.00 0.00 O ATOM 0 H TYR A 63 -4.188 8.091 -5.085 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.949 5.505 -5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.063 7.595 -6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.683 7.987 -7.500 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.095 6.372 -9.421 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.801 6.197 -7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.087 5.107 -11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.791 4.930 -9.175 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.252 3.639 -11.029 1.00 0.00 H new ATOM 976 N ASP A 64 -2.174 6.472 -7.215 1.00 0.00 N ATOM 977 CA ASP A 64 -1.030 6.001 -7.986 1.00 0.00 C ATOM 978 C ASP A 64 -0.029 5.259 -7.102 1.00 0.00 C ATOM 979 O ASP A 64 0.854 4.563 -7.604 1.00 0.00 O ATOM 980 CB ASP A 64 -0.341 7.176 -8.681 1.00 0.00 C ATOM 981 CG ASP A 64 -0.105 6.917 -10.156 1.00 0.00 C ATOM 982 OD1 ASP A 64 0.378 5.816 -10.496 1.00 0.00 O ATOM 983 OD2 ASP A 64 -0.402 7.814 -10.972 1.00 0.00 O ATOM 0 H ASP A 64 -2.083 7.426 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.400 5.304 -8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.951 8.072 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.613 7.375 -8.193 1.00 0.00 H new ATOM 988 N TRP A 65 -0.162 5.412 -5.786 1.00 0.00 N ATOM 989 CA TRP A 65 0.745 4.754 -4.853 1.00 0.00 C ATOM 990 C TRP A 65 0.470 3.256 -4.779 1.00 0.00 C ATOM 991 O TRP A 65 1.374 2.440 -4.950 1.00 0.00 O ATOM 992 CB TRP A 65 0.628 5.379 -3.462 1.00 0.00 C ATOM 993 CG TRP A 65 1.506 4.731 -2.430 1.00 0.00 C ATOM 994 CD1 TRP A 65 1.302 4.727 -1.081 1.00 0.00 C ATOM 995 CD2 TRP A 65 2.722 3.997 -2.653 1.00 0.00 C ATOM 996 NE1 TRP A 65 2.311 4.040 -0.452 1.00 0.00 N ATOM 997 CE2 TRP A 65 3.193 3.582 -1.393 1.00 0.00 C ATOM 998 CE3 TRP A 65 3.459 3.648 -3.791 1.00 0.00 C ATOM 999 CZ2 TRP A 65 4.362 2.841 -1.238 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 4.619 2.911 -3.635 1.00 0.00 C ATOM 1001 CH2 TRP A 65 5.060 2.515 -2.368 1.00 0.00 C ATOM 0 H TRP A 65 -0.884 5.982 -5.346 1.00 0.00 H new ATOM 0 HA TRP A 65 1.761 4.896 -5.221 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.880 6.437 -3.527 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.409 5.318 -3.133 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.468 5.196 -0.580 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.390 3.894 0.554 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.127 3.949 -4.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.705 2.535 -0.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.194 2.636 -4.507 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.970 1.940 -2.280 1.00 0.00 H new ATOM 1012 N LEU A 66 -0.780 2.899 -4.520 1.00 0.00 N ATOM 1013 CA LEU A 66 -1.159 1.497 -4.419 1.00 0.00 C ATOM 1014 C LEU A 66 -1.130 0.821 -5.784 1.00 0.00 C ATOM 1015 O LEU A 66 -0.644 -0.303 -5.917 1.00 0.00 O ATOM 1016 CB LEU A 66 -2.546 1.365 -3.787 1.00 0.00 C ATOM 1017 CG LEU A 66 -2.609 0.482 -2.539 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -4.051 0.263 -2.115 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -1.918 -0.852 -2.789 1.00 0.00 C ATOM 0 H LEU A 66 -1.546 3.557 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.433 0.996 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.906 2.360 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.231 0.963 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.085 0.993 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.077 -0.367 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.515 1.224 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.597 -0.225 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.974 -1.465 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.412 -1.369 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.873 -0.678 -3.045 1.00 0.00 H new ATOM 1031 N ASP A 67 -1.637 1.511 -6.804 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.644 0.963 -8.156 1.00 0.00 C ATOM 1033 C ASP A 67 -0.253 0.459 -8.518 1.00 0.00 C ATOM 1034 O ASP A 67 -0.100 -0.531 -9.233 1.00 0.00 O ATOM 1035 CB ASP A 67 -2.107 2.019 -9.163 1.00 0.00 C ATOM 1036 CG ASP A 67 -3.304 1.562 -9.972 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.130 0.692 -10.850 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -4.416 2.074 -9.728 1.00 0.00 O ATOM 0 H ASP A 67 -2.045 2.442 -6.720 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.344 0.128 -8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.360 2.937 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.285 2.258 -9.838 1.00 0.00 H new ATOM 1043 N GLU A 68 0.760 1.141 -7.995 1.00 0.00 N ATOM 1044 CA GLU A 68 2.143 0.760 -8.232 1.00 0.00 C ATOM 1045 C GLU A 68 2.432 -0.569 -7.548 1.00 0.00 C ATOM 1046 O GLU A 68 3.136 -1.423 -8.087 1.00 0.00 O ATOM 1047 CB GLU A 68 3.086 1.843 -7.703 1.00 0.00 C ATOM 1048 CG GLU A 68 4.175 2.234 -8.688 1.00 0.00 C ATOM 1049 CD GLU A 68 3.624 2.911 -9.927 1.00 0.00 C ATOM 1050 OE1 GLU A 68 3.243 2.193 -10.876 1.00 0.00 O ATOM 1051 OE2 GLU A 68 3.573 4.158 -9.949 1.00 0.00 O ATOM 0 H GLU A 68 0.646 1.963 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 68 2.305 0.652 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.503 2.728 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.550 1.491 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.881 2.903 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.731 1.344 -8.982 1.00 0.00 H new ATOM 1058 N LEU A 69 1.869 -0.735 -6.355 1.00 0.00 N ATOM 1059 CA LEU A 69 2.044 -1.957 -5.585 1.00 0.00 C ATOM 1060 C LEU A 69 1.389 -3.136 -6.297 1.00 0.00 C ATOM 1061 O LEU A 69 1.852 -4.272 -6.196 1.00 0.00 O ATOM 1062 CB LEU A 69 1.448 -1.793 -4.184 1.00 0.00 C ATOM 1063 CG LEU A 69 2.439 -1.353 -3.106 1.00 0.00 C ATOM 1064 CD1 LEU A 69 2.624 0.156 -3.134 1.00 0.00 C ATOM 1065 CD2 LEU A 69 1.969 -1.809 -1.732 1.00 0.00 C ATOM 0 H LEU A 69 1.285 -0.033 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 69 3.112 -2.155 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.640 -1.063 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.003 -2.741 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 69 3.402 -1.820 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.333 0.450 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.006 0.458 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.666 0.643 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.686 -1.487 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.994 -1.371 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.889 -2.896 -1.717 1.00 0.00 H new ATOM 1077 N LEU A 70 0.305 -2.855 -7.015 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.422 -3.887 -7.743 1.00 0.00 C ATOM 1079 C LEU A 70 0.515 -4.671 -8.661 1.00 0.00 C ATOM 1080 O LEU A 70 0.563 -5.900 -8.611 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.555 -3.259 -8.560 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.967 -3.592 -8.068 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -3.810 -2.330 -7.959 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.632 -4.600 -8.993 1.00 0.00 C ATOM 0 H LEU A 70 -0.089 -1.919 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.848 -4.579 -7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.430 -2.176 -8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.461 -3.585 -9.596 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.887 -4.036 -7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.809 -2.589 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.345 -1.641 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.881 -1.854 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.634 -4.824 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.698 -4.183 -9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.042 -5.516 -9.018 1.00 0.00 H new ATOM 1096 N PHE A 71 1.261 -3.950 -9.492 1.00 0.00 N ATOM 1097 CA PHE A 71 2.200 -4.579 -10.414 1.00 0.00 C ATOM 1098 C PHE A 71 3.400 -5.145 -9.662 1.00 0.00 C ATOM 1099 O PHE A 71 3.842 -6.263 -9.926 1.00 0.00 O ATOM 1100 CB PHE A 71 2.671 -3.571 -11.464 1.00 0.00 C ATOM 1101 CG PHE A 71 1.546 -2.903 -12.202 1.00 0.00 C ATOM 1102 CD1 PHE A 71 0.564 -3.658 -12.825 1.00 0.00 C ATOM 1103 CD2 PHE A 71 1.470 -1.522 -12.272 1.00 0.00 C ATOM 1104 CE1 PHE A 71 -0.472 -3.046 -13.504 1.00 0.00 C ATOM 1105 CE2 PHE A 71 0.436 -0.905 -12.950 1.00 0.00 C ATOM 1106 CZ PHE A 71 -0.537 -1.668 -13.567 1.00 0.00 C ATOM 0 H PHE A 71 1.234 -2.932 -9.546 1.00 0.00 H new ATOM 0 HA PHE A 71 1.686 -5.399 -10.915 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.279 -2.808 -10.977 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.314 -4.080 -12.182 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.609 -4.736 -12.779 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.227 -0.921 -11.791 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.231 -3.645 -13.985 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.388 0.173 -12.998 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.346 -1.188 -14.097 1.00 0.00 H new ATOM 1116 N ILE A 72 3.921 -4.362 -8.723 1.00 0.00 N ATOM 1117 CA ILE A 72 5.071 -4.776 -7.927 1.00 0.00 C ATOM 1118 C ILE A 72 4.774 -6.056 -7.151 1.00 0.00 C ATOM 1119 O ILE A 72 5.659 -6.886 -6.946 1.00 0.00 O ATOM 1120 CB ILE A 72 5.501 -3.670 -6.941 1.00 0.00 C ATOM 1121 CG1 ILE A 72 5.782 -2.368 -7.694 1.00 0.00 C ATOM 1122 CG2 ILE A 72 6.729 -4.104 -6.152 1.00 0.00 C ATOM 1123 CD1 ILE A 72 5.562 -1.126 -6.860 1.00 0.00 C ATOM 0 H ILE A 72 3.564 -3.434 -8.494 1.00 0.00 H new ATOM 0 HA ILE A 72 5.887 -4.964 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 72 4.686 -3.497 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.812 -2.379 -8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.141 -2.322 -8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.017 -3.311 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.499 -5.009 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.551 -4.303 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.780 -0.242 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.525 -1.091 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.222 -1.149 -5.993 1.00 0.00 H new ATOM 1135 N HIS A 73 3.527 -6.207 -6.712 1.00 0.00 N ATOM 1136 CA HIS A 73 3.124 -7.386 -5.949 1.00 0.00 C ATOM 1137 C HIS A 73 3.552 -8.671 -6.652 1.00 0.00 C ATOM 1138 O HIS A 73 4.215 -9.517 -6.056 1.00 0.00 O ATOM 1139 CB HIS A 73 1.607 -7.387 -5.735 1.00 0.00 C ATOM 1140 CG HIS A 73 1.202 -7.678 -4.324 1.00 0.00 C ATOM 1141 ND1 HIS A 73 -0.099 -7.575 -3.877 1.00 0.00 N ATOM 1142 CD2 HIS A 73 1.935 -8.071 -3.255 1.00 0.00 C ATOM 1143 CE1 HIS A 73 -0.148 -7.891 -2.595 1.00 0.00 C ATOM 1144 NE2 HIS A 73 1.071 -8.197 -2.194 1.00 0.00 N ATOM 0 H HIS A 73 2.780 -5.531 -6.871 1.00 0.00 H new ATOM 0 HA HIS A 73 3.622 -7.345 -4.980 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.207 -6.416 -6.026 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.156 -8.129 -6.394 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.000 -8.252 -3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.036 -7.898 -1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.330 -8.481 -1.249 1.00 0.00 H new ATOM 1153 N ASP A 74 3.185 -8.809 -7.921 1.00 0.00 N ATOM 1154 CA ASP A 74 3.557 -9.992 -8.686 1.00 0.00 C ATOM 1155 C ASP A 74 5.030 -9.946 -9.039 1.00 0.00 C ATOM 1156 O ASP A 74 5.699 -10.979 -9.090 1.00 0.00 O ATOM 1157 CB ASP A 74 2.707 -10.118 -9.951 1.00 0.00 C ATOM 1158 CG ASP A 74 2.758 -11.510 -10.547 1.00 0.00 C ATOM 1159 OD1 ASP A 74 3.654 -11.768 -11.378 1.00 0.00 O ATOM 1160 OD2 ASP A 74 1.903 -12.344 -10.182 1.00 0.00 O ATOM 0 H ASP A 74 2.635 -8.123 -8.438 1.00 0.00 H new ATOM 0 HA ASP A 74 3.371 -10.870 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.673 -9.864 -9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.053 -9.396 -10.691 1.00 0.00 H new ATOM 1165 N THR A 75 5.547 -8.741 -9.243 1.00 0.00 N ATOM 1166 CA THR A 75 6.955 -8.583 -9.545 1.00 0.00 C ATOM 1167 C THR A 75 7.771 -9.048 -8.349 1.00 0.00 C ATOM 1168 O THR A 75 8.956 -9.359 -8.468 1.00 0.00 O ATOM 1169 CB THR A 75 7.280 -7.126 -9.884 1.00 0.00 C ATOM 1170 OG1 THR A 75 6.484 -6.674 -10.964 1.00 0.00 O ATOM 1171 CG2 THR A 75 8.730 -6.907 -10.258 1.00 0.00 C ATOM 0 H THR A 75 5.016 -7.871 -9.205 1.00 0.00 H new ATOM 0 HA THR A 75 7.206 -9.188 -10.416 1.00 0.00 H new ATOM 0 HB THR A 75 7.068 -6.563 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.567 -6.522 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.892 -5.854 -10.486 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.369 -7.200 -9.425 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.975 -7.510 -11.133 1.00 0.00 H new ATOM 1179 N GLU A 76 7.108 -9.117 -7.195 1.00 0.00 N ATOM 1180 CA GLU A 76 7.742 -9.569 -5.976 1.00 0.00 C ATOM 1181 C GLU A 76 6.703 -9.917 -4.923 1.00 0.00 C ATOM 1182 O GLU A 76 6.527 -9.197 -3.940 1.00 0.00 O ATOM 1183 CB GLU A 76 8.717 -8.516 -5.445 1.00 0.00 C ATOM 1184 CG GLU A 76 10.172 -8.816 -5.766 1.00 0.00 C ATOM 1185 CD GLU A 76 10.972 -7.564 -6.071 1.00 0.00 C ATOM 1186 OE1 GLU A 76 10.817 -6.567 -5.334 1.00 0.00 O ATOM 1187 OE2 GLU A 76 11.751 -7.580 -7.046 1.00 0.00 O ATOM 0 H GLU A 76 6.126 -8.862 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 76 8.309 -10.471 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.454 -7.545 -5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.601 -8.438 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.626 -9.337 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.220 -9.491 -6.621 1.00 0.00 H new ATOM 1194 N PHE A 77 6.019 -11.032 -5.143 1.00 0.00 N ATOM 1195 CA PHE A 77 4.994 -11.494 -4.211 1.00 0.00 C ATOM 1196 C PHE A 77 5.591 -11.714 -2.828 1.00 0.00 C ATOM 1197 O PHE A 77 6.100 -12.788 -2.526 1.00 0.00 O ATOM 1198 CB PHE A 77 4.325 -12.787 -4.703 1.00 0.00 C ATOM 1199 CG PHE A 77 5.176 -13.624 -5.618 1.00 0.00 C ATOM 1200 CD1 PHE A 77 6.056 -14.557 -5.100 1.00 0.00 C ATOM 1201 CD2 PHE A 77 5.090 -13.478 -6.992 1.00 0.00 C ATOM 1202 CE1 PHE A 77 6.838 -15.332 -5.936 1.00 0.00 C ATOM 1203 CE2 PHE A 77 5.870 -14.248 -7.835 1.00 0.00 C ATOM 1204 CZ PHE A 77 6.744 -15.177 -7.305 1.00 0.00 C ATOM 0 H PHE A 77 6.153 -11.633 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 77 4.231 -10.718 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.046 -13.388 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.402 -12.528 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.133 -14.681 -4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.406 -12.754 -7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.521 -16.057 -5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.796 -14.123 -8.905 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.353 -15.782 -7.961 1.00 0.00 H new ATOM 1214 N ILE A 78 5.530 -10.684 -1.996 1.00 0.00 N ATOM 1215 CA ILE A 78 6.068 -10.759 -0.645 1.00 0.00 C ATOM 1216 C ILE A 78 4.954 -10.685 0.396 1.00 0.00 C ATOM 1217 O ILE A 78 4.020 -9.896 0.264 1.00 0.00 O ATOM 1218 CB ILE A 78 7.083 -9.629 -0.384 1.00 0.00 C ATOM 1219 CG1 ILE A 78 6.403 -8.260 -0.495 1.00 0.00 C ATOM 1220 CG2 ILE A 78 8.245 -9.732 -1.359 1.00 0.00 C ATOM 1221 CD1 ILE A 78 6.497 -7.434 0.770 1.00 0.00 C ATOM 0 H ILE A 78 5.112 -9.784 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 78 6.576 -11.719 -0.557 1.00 0.00 H new ATOM 0 HB ILE A 78 7.471 -9.735 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.855 -7.704 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.353 -8.404 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.955 -8.928 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.742 -10.694 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.872 -9.648 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.995 -6.479 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.019 -7.969 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.545 -7.258 1.013 1.00 0.00 H new ATOM 1233 N LEU A 79 5.059 -11.518 1.428 1.00 0.00 N ATOM 1234 CA LEU A 79 4.057 -11.552 2.490 1.00 0.00 C ATOM 1235 C LEU A 79 3.850 -10.163 3.097 1.00 0.00 C ATOM 1236 O LEU A 79 2.966 -9.420 2.671 1.00 0.00 O ATOM 1237 CB LEU A 79 4.464 -12.557 3.573 1.00 0.00 C ATOM 1238 CG LEU A 79 4.597 -14.004 3.096 1.00 0.00 C ATOM 1239 CD1 LEU A 79 5.156 -14.881 4.205 1.00 0.00 C ATOM 1240 CD2 LEU A 79 3.253 -14.535 2.621 1.00 0.00 C ATOM 0 H LEU A 79 5.827 -12.178 1.552 1.00 0.00 H new ATOM 0 HA LEU A 79 3.111 -11.871 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.416 -12.242 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.727 -12.521 4.376 1.00 0.00 H new ATOM 0 HG LEU A 79 5.291 -14.027 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.244 -15.907 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.139 -14.514 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.486 -14.852 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.367 -15.566 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.536 -14.498 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.891 -13.922 1.795 1.00 0.00 H new ATOM 1252 N PHE A 80 4.670 -9.812 4.085 1.00 0.00 N ATOM 1253 CA PHE A 80 4.570 -8.508 4.731 1.00 0.00 C ATOM 1254 C PHE A 80 5.916 -7.798 4.705 1.00 0.00 C ATOM 1255 O PHE A 80 6.964 -8.436 4.598 1.00 0.00 O ATOM 1256 CB PHE A 80 4.077 -8.655 6.169 1.00 0.00 C ATOM 1257 CG PHE A 80 3.392 -7.426 6.696 1.00 0.00 C ATOM 1258 CD1 PHE A 80 2.071 -7.161 6.374 1.00 0.00 C ATOM 1259 CD2 PHE A 80 4.070 -6.536 7.514 1.00 0.00 C ATOM 1260 CE1 PHE A 80 1.438 -6.031 6.857 1.00 0.00 C ATOM 1261 CE2 PHE A 80 3.443 -5.404 8.000 1.00 0.00 C ATOM 1262 CZ PHE A 80 2.125 -5.152 7.671 1.00 0.00 C ATOM 0 H PHE A 80 5.409 -10.411 4.454 1.00 0.00 H new ATOM 0 HA PHE A 80 3.847 -7.907 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.388 -9.497 6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.924 -8.894 6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.529 -7.845 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.100 -6.729 7.775 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.408 -5.836 6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.983 -4.718 8.636 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.633 -4.269 8.050 1.00 0.00 H new ATOM 1272 N SER A 81 5.882 -6.475 4.778 1.00 0.00 N ATOM 1273 CA SER A 81 7.099 -5.678 4.737 1.00 0.00 C ATOM 1274 C SER A 81 6.912 -4.339 5.441 1.00 0.00 C ATOM 1275 O SER A 81 5.784 -3.911 5.691 1.00 0.00 O ATOM 1276 CB SER A 81 7.531 -5.468 3.289 1.00 0.00 C ATOM 1277 OG SER A 81 8.306 -4.289 3.144 1.00 0.00 O ATOM 0 H SER A 81 5.024 -5.931 4.866 1.00 0.00 H new ATOM 0 HA SER A 81 7.881 -6.220 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.109 -6.328 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.650 -5.406 2.650 1.00 0.00 H new ATOM 0 HG SER A 81 9.098 -4.346 3.718 1.00 0.00 H new ATOM 1283 N LYS A 82 8.023 -3.680 5.764 1.00 0.00 N ATOM 1284 CA LYS A 82 7.972 -2.391 6.441 1.00 0.00 C ATOM 1285 C LYS A 82 7.683 -1.283 5.436 1.00 0.00 C ATOM 1286 O LYS A 82 8.196 -1.291 4.317 1.00 0.00 O ATOM 1287 CB LYS A 82 9.293 -2.114 7.164 1.00 0.00 C ATOM 1288 CG LYS A 82 9.129 -1.308 8.442 1.00 0.00 C ATOM 1289 CD LYS A 82 10.275 -1.562 9.408 1.00 0.00 C ATOM 1290 CE LYS A 82 10.165 -2.934 10.054 1.00 0.00 C ATOM 1291 NZ LYS A 82 8.930 -3.065 10.874 1.00 0.00 N ATOM 0 H LYS A 82 8.965 -4.018 5.568 1.00 0.00 H new ATOM 0 HA LYS A 82 7.170 -2.417 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.773 -3.063 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.961 -1.579 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.083 -0.246 8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.184 -1.568 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.224 -1.484 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.278 -0.794 10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.169 -3.701 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.038 -3.110 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.051 -3.835 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.752 -2.173 11.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.123 -3.278 10.254 1.00 0.00 H new ATOM 1305 N PHE A 83 6.821 -0.354 5.833 1.00 0.00 N ATOM 1306 CA PHE A 83 6.410 0.741 4.964 1.00 0.00 C ATOM 1307 C PHE A 83 7.044 2.070 5.347 1.00 0.00 C ATOM 1308 O PHE A 83 6.873 2.569 6.459 1.00 0.00 O ATOM 1309 CB PHE A 83 4.889 0.858 5.006 1.00 0.00 C ATOM 1310 CG PHE A 83 4.182 -0.439 4.739 1.00 0.00 C ATOM 1311 CD1 PHE A 83 4.140 -0.969 3.459 1.00 0.00 C ATOM 1312 CD2 PHE A 83 3.561 -1.129 5.767 1.00 0.00 C ATOM 1313 CE1 PHE A 83 3.490 -2.163 3.210 1.00 0.00 C ATOM 1314 CE2 PHE A 83 2.910 -2.324 5.524 1.00 0.00 C ATOM 1315 CZ PHE A 83 2.874 -2.841 4.243 1.00 0.00 C ATOM 0 H PHE A 83 6.391 -0.338 6.758 1.00 0.00 H new ATOM 0 HA PHE A 83 6.753 0.512 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.588 1.232 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.569 1.596 4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.621 -0.443 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.586 -0.729 6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.464 -2.565 2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.430 -2.853 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.365 -3.774 4.050 1.00 0.00 H new ATOM 1325 N LYS A 84 7.744 2.644 4.380 1.00 0.00 N ATOM 1326 CA LYS A 84 8.390 3.934 4.532 1.00 0.00 C ATOM 1327 C LYS A 84 8.047 4.782 3.310 1.00 0.00 C ATOM 1328 O LYS A 84 8.239 4.343 2.177 1.00 0.00 O ATOM 1329 CB LYS A 84 9.908 3.760 4.700 1.00 0.00 C ATOM 1330 CG LYS A 84 10.750 4.566 3.725 1.00 0.00 C ATOM 1331 CD LYS A 84 12.138 4.845 4.283 1.00 0.00 C ATOM 1332 CE LYS A 84 13.180 3.910 3.688 1.00 0.00 C ATOM 1333 NZ LYS A 84 14.196 3.498 4.695 1.00 0.00 N ATOM 0 H LYS A 84 7.879 2.222 3.461 1.00 0.00 H new ATOM 0 HA LYS A 84 8.032 4.438 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.182 4.043 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.154 2.704 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.838 4.023 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.250 5.509 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.414 5.878 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.124 4.732 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.687 3.025 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.676 4.404 2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.888 2.862 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.685 4.340 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.726 3.004 5.480 1.00 0.00 H new ATOM 1347 N VAL A 85 7.502 5.970 3.533 1.00 0.00 N ATOM 1348 CA VAL A 85 7.095 6.829 2.426 1.00 0.00 C ATOM 1349 C VAL A 85 7.696 8.221 2.511 1.00 0.00 C ATOM 1350 O VAL A 85 7.991 8.739 3.587 1.00 0.00 O ATOM 1351 CB VAL A 85 5.562 6.918 2.308 1.00 0.00 C ATOM 1352 CG1 VAL A 85 4.906 6.653 3.645 1.00 0.00 C ATOM 1353 CG2 VAL A 85 5.100 8.252 1.765 1.00 0.00 C ATOM 0 H VAL A 85 7.332 6.359 4.460 1.00 0.00 H new ATOM 0 HA VAL A 85 7.487 6.358 1.525 1.00 0.00 H new ATOM 0 HB VAL A 85 5.259 6.150 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.823 6.721 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.175 5.655 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.246 7.392 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.012 8.262 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.432 9.050 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.522 8.407 0.772 1.00 0.00 H new ATOM 1363 N LYS A 86 7.889 8.794 1.336 1.00 0.00 N ATOM 1364 CA LYS A 86 8.475 10.106 1.183 1.00 0.00 C ATOM 1365 C LYS A 86 7.589 10.995 0.314 1.00 0.00 C ATOM 1366 O LYS A 86 7.056 10.541 -0.693 1.00 0.00 O ATOM 1367 CB LYS A 86 9.836 9.941 0.513 1.00 0.00 C ATOM 1368 CG LYS A 86 10.885 10.929 0.994 1.00 0.00 C ATOM 1369 CD LYS A 86 11.853 10.283 1.973 1.00 0.00 C ATOM 1370 CE LYS A 86 13.031 11.196 2.280 1.00 0.00 C ATOM 1371 NZ LYS A 86 13.034 11.640 3.701 1.00 0.00 N ATOM 0 H LYS A 86 7.638 8.352 0.452 1.00 0.00 H new ATOM 0 HA LYS A 86 8.577 10.576 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.197 8.928 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.715 10.051 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.437 11.320 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.395 11.777 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.329 10.041 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.218 9.344 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.962 10.673 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.994 12.068 1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.852 12.260 3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.157 12.161 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.095 10.810 4.324 1.00 0.00 H new ATOM 1385 N ILE A 87 7.452 12.263 0.680 1.00 0.00 N ATOM 1386 CA ILE A 87 6.652 13.188 -0.116 1.00 0.00 C ATOM 1387 C ILE A 87 7.469 14.423 -0.474 1.00 0.00 C ATOM 1388 O ILE A 87 7.995 15.108 0.403 1.00 0.00 O ATOM 1389 CB ILE A 87 5.360 13.630 0.604 1.00 0.00 C ATOM 1390 CG1 ILE A 87 4.577 12.417 1.118 1.00 0.00 C ATOM 1391 CG2 ILE A 87 4.503 14.451 -0.348 1.00 0.00 C ATOM 1392 CD1 ILE A 87 3.197 12.761 1.653 1.00 0.00 C ATOM 0 H ILE A 87 7.878 12.672 1.512 1.00 0.00 H new ATOM 0 HA ILE A 87 6.364 12.650 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 87 5.630 14.242 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.473 11.694 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.152 11.932 1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.591 14.763 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.058 15.332 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.245 13.847 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.704 11.852 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.293 13.460 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.603 13.218 0.861 1.00 0.00 H new ATOM 1404 N ASP A 88 7.577 14.699 -1.770 1.00 0.00 N ATOM 1405 CA ASP A 88 8.335 15.849 -2.243 1.00 0.00 C ATOM 1406 C ASP A 88 7.560 16.630 -3.296 1.00 0.00 C ATOM 1407 O ASP A 88 7.193 16.085 -4.337 1.00 0.00 O ATOM 1408 CB ASP A 88 9.672 15.390 -2.825 1.00 0.00 C ATOM 1409 CG ASP A 88 10.617 14.865 -1.762 1.00 0.00 C ATOM 1410 OD1 ASP A 88 11.111 15.679 -0.952 1.00 0.00 O ATOM 1411 OD2 ASP A 88 10.864 13.641 -1.739 1.00 0.00 O ATOM 0 H ASP A 88 7.149 14.142 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 88 8.511 16.506 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.494 14.610 -3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.143 16.223 -3.346 1.00 0.00 H new ATOM 1416 N GLU A 89 7.337 17.911 -3.038 1.00 0.00 N ATOM 1417 CA GLU A 89 6.630 18.761 -3.986 1.00 0.00 C ATOM 1418 C GLU A 89 7.627 19.500 -4.855 1.00 0.00 C ATOM 1419 O GLU A 89 8.392 20.340 -4.381 1.00 0.00 O ATOM 1420 CB GLU A 89 5.724 19.753 -3.254 1.00 0.00 C ATOM 1421 CG GLU A 89 6.438 20.543 -2.170 1.00 0.00 C ATOM 1422 CD GLU A 89 6.070 22.014 -2.184 1.00 0.00 C ATOM 1423 OE1 GLU A 89 4.997 22.364 -1.649 1.00 0.00 O ATOM 1424 OE2 GLU A 89 6.856 22.818 -2.730 1.00 0.00 O ATOM 0 H GLU A 89 7.634 18.383 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 89 6.003 18.132 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.300 20.448 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.891 19.210 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.193 20.120 -1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.515 20.440 -2.300 1.00 0.00 H new ATOM 1431 N LYS A 90 7.611 19.166 -6.132 1.00 0.00 N ATOM 1432 CA LYS A 90 8.513 19.777 -7.098 1.00 0.00 C ATOM 1433 C LYS A 90 7.723 20.480 -8.189 1.00 0.00 C ATOM 1434 O LYS A 90 6.507 20.643 -8.081 1.00 0.00 O ATOM 1435 CB LYS A 90 9.447 18.726 -7.718 1.00 0.00 C ATOM 1436 CG LYS A 90 9.189 17.303 -7.242 1.00 0.00 C ATOM 1437 CD LYS A 90 7.934 16.721 -7.875 1.00 0.00 C ATOM 1438 CE LYS A 90 8.269 15.640 -8.889 1.00 0.00 C ATOM 1439 NZ LYS A 90 9.173 16.145 -9.959 1.00 0.00 N ATOM 0 H LYS A 90 6.980 18.470 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 90 9.123 20.512 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.343 18.759 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.479 18.993 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.046 16.675 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.088 17.294 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.293 16.305 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.370 17.516 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.742 14.799 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.349 15.265 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.989 15.627 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.999 17.159 -10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.163 16.002 -9.673 1.00 0.00 H new ATOM 1453 N ASP A 91 8.417 20.890 -9.241 1.00 0.00 N ATOM 1454 CA ASP A 91 7.778 21.569 -10.360 1.00 0.00 C ATOM 1455 C ASP A 91 6.783 20.657 -11.081 1.00 0.00 C ATOM 1456 O ASP A 91 6.274 21.009 -12.146 1.00 0.00 O ATOM 1457 CB ASP A 91 8.836 22.057 -11.347 1.00 0.00 C ATOM 1458 CG ASP A 91 9.592 23.268 -10.834 1.00 0.00 C ATOM 1459 OD1 ASP A 91 9.051 24.390 -10.929 1.00 0.00 O ATOM 1460 OD2 ASP A 91 10.725 23.093 -10.338 1.00 0.00 O ATOM 0 H ASP A 91 9.424 20.764 -9.343 1.00 0.00 H new ATOM 0 HA ASP A 91 7.227 22.420 -9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.541 21.250 -11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.358 22.305 -12.294 1.00 0.00 H new ATOM 1465 N ASP A 92 6.498 19.489 -10.503 1.00 0.00 N ATOM 1466 CA ASP A 92 5.557 18.554 -11.105 1.00 0.00 C ATOM 1467 C ASP A 92 4.447 18.230 -10.118 1.00 0.00 C ATOM 1468 O ASP A 92 4.003 17.086 -10.012 1.00 0.00 O ATOM 1469 CB ASP A 92 6.276 17.273 -11.531 1.00 0.00 C ATOM 1470 CG ASP A 92 6.749 17.329 -12.971 1.00 0.00 C ATOM 1471 OD1 ASP A 92 5.943 17.709 -13.846 1.00 0.00 O ATOM 1472 OD2 ASP A 92 7.926 16.993 -13.222 1.00 0.00 O ATOM 0 H ASP A 92 6.905 19.172 -9.623 1.00 0.00 H new ATOM 0 HA ASP A 92 5.121 19.016 -11.991 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.131 17.104 -10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.605 16.423 -11.404 1.00 0.00 H new ATOM 1477 N GLY A 93 4.014 19.249 -9.385 1.00 0.00 N ATOM 1478 CA GLY A 93 2.971 19.064 -8.400 1.00 0.00 C ATOM 1479 C GLY A 93 3.508 18.464 -7.120 1.00 0.00 C ATOM 1480 O GLY A 93 4.127 19.156 -6.312 1.00 0.00 O ATOM 0 H GLY A 93 4.370 20.202 -9.457 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.502 20.024 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.196 18.415 -8.808 1.00 0.00 H new ATOM 1484 N LEU A 94 3.271 17.173 -6.937 1.00 0.00 N ATOM 1485 CA LEU A 94 3.733 16.474 -5.750 1.00 0.00 C ATOM 1486 C LEU A 94 4.329 15.107 -6.116 1.00 0.00 C ATOM 1487 O LEU A 94 3.892 14.467 -7.069 1.00 0.00 O ATOM 1488 CB LEU A 94 2.574 16.347 -4.750 1.00 0.00 C ATOM 1489 CG LEU A 94 2.116 14.926 -4.433 1.00 0.00 C ATOM 1490 CD1 LEU A 94 3.173 14.209 -3.616 1.00 0.00 C ATOM 1491 CD2 LEU A 94 0.787 14.948 -3.694 1.00 0.00 C ATOM 0 H LEU A 94 2.760 16.588 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 94 4.531 17.048 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.870 16.828 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.722 16.904 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 94 1.975 14.385 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.837 13.196 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.104 14.167 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.339 14.748 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.475 13.927 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.899 15.501 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.033 15.433 -4.315 1.00 0.00 H new ATOM 1503 N HIS A 95 5.340 14.674 -5.360 1.00 0.00 N ATOM 1504 CA HIS A 95 6.003 13.392 -5.613 1.00 0.00 C ATOM 1505 C HIS A 95 6.043 12.521 -4.355 1.00 0.00 C ATOM 1506 O HIS A 95 6.204 13.027 -3.244 1.00 0.00 O ATOM 1507 CB HIS A 95 7.425 13.635 -6.123 1.00 0.00 C ATOM 1508 CG HIS A 95 8.113 12.401 -6.618 1.00 0.00 C ATOM 1509 ND1 HIS A 95 8.545 12.066 -7.856 1.00 0.00 N flip ATOM 1510 CD2 HIS A 95 8.438 11.339 -5.800 1.00 0.00 C flip ATOM 1511 CE1 HIS A 95 9.119 10.821 -7.765 1.00 0.00 C flip ATOM 1512 NE2 HIS A 95 9.043 10.405 -6.514 1.00 0.00 N flip ATOM 0 H HIS A 95 5.718 15.192 -4.567 1.00 0.00 H new ATOM 0 HA HIS A 95 5.427 12.860 -6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.391 14.368 -6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.018 14.072 -5.320 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.231 11.280 -4.742 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.561 10.272 -8.583 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.392 9.515 -6.159 1.00 0.00 H new ATOM 1521 N LEU A 96 5.901 11.208 -4.540 1.00 0.00 N ATOM 1522 CA LEU A 96 5.926 10.266 -3.423 1.00 0.00 C ATOM 1523 C LEU A 96 7.037 9.233 -3.592 1.00 0.00 C ATOM 1524 O LEU A 96 7.217 8.672 -4.673 1.00 0.00 O ATOM 1525 CB LEU A 96 4.579 9.549 -3.293 1.00 0.00 C ATOM 1526 CG LEU A 96 4.497 8.498 -2.182 1.00 0.00 C ATOM 1527 CD1 LEU A 96 3.045 8.212 -1.832 1.00 0.00 C ATOM 1528 CD2 LEU A 96 5.206 7.215 -2.595 1.00 0.00 C ATOM 0 H LEU A 96 5.768 10.774 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 96 6.120 10.840 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.804 10.296 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.351 9.067 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 96 4.999 8.894 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.002 7.463 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.566 9.129 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.525 7.838 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.134 6.484 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.737 6.813 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.255 7.428 -2.798 1.00 0.00 H new ATOM 1540 N THR A 97 7.757 8.963 -2.507 1.00 0.00 N ATOM 1541 CA THR A 97 8.823 7.967 -2.522 1.00 0.00 C ATOM 1542 C THR A 97 8.572 6.938 -1.425 1.00 0.00 C ATOM 1543 O THR A 97 8.492 7.270 -0.250 1.00 0.00 O ATOM 1544 CB THR A 97 10.198 8.617 -2.356 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.137 10.003 -2.644 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.255 8.011 -3.254 1.00 0.00 C ATOM 0 H THR A 97 7.621 9.421 -1.606 1.00 0.00 H new ATOM 0 HA THR A 97 8.819 7.467 -3.491 1.00 0.00 H new ATOM 0 HB THR A 97 10.477 8.441 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.026 10.400 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.207 8.516 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.362 6.951 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.958 8.129 -4.296 1.00 0.00 H new ATOM 1554 N GLY A 98 8.423 5.694 -1.826 1.00 0.00 N ATOM 1555 CA GLY A 98 8.144 4.625 -0.875 1.00 0.00 C ATOM 1556 C GLY A 98 9.162 3.501 -0.902 1.00 0.00 C ATOM 1557 O GLY A 98 9.749 3.204 -1.943 1.00 0.00 O ATOM 0 H GLY A 98 8.489 5.393 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.108 5.046 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.157 4.214 -1.084 1.00 0.00 H new ATOM 1561 N THR A 99 9.373 2.881 0.258 1.00 0.00 N ATOM 1562 CA THR A 99 10.331 1.786 0.390 1.00 0.00 C ATOM 1563 C THR A 99 9.699 0.563 1.051 1.00 0.00 C ATOM 1564 O THR A 99 8.898 0.690 1.976 1.00 0.00 O ATOM 1565 CB THR A 99 11.522 2.239 1.228 1.00 0.00 C ATOM 1566 OG1 THR A 99 11.895 3.565 0.891 1.00 0.00 O ATOM 1567 CG2 THR A 99 12.741 1.354 1.063 1.00 0.00 C ATOM 0 H THR A 99 8.890 3.121 1.124 1.00 0.00 H new ATOM 0 HA THR A 99 10.656 1.510 -0.613 1.00 0.00 H new ATOM 0 HB THR A 99 11.191 2.177 2.265 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.872 3.637 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.552 1.732 1.686 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.495 0.336 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.054 1.357 0.019 1.00 0.00 H new ATOM 1575 N ALA A 100 10.084 -0.623 0.585 1.00 0.00 N ATOM 1576 CA ALA A 100 9.573 -1.868 1.148 1.00 0.00 C ATOM 1577 C ALA A 100 10.683 -2.913 1.245 1.00 0.00 C ATOM 1578 O ALA A 100 11.427 -3.132 0.290 1.00 0.00 O ATOM 1579 CB ALA A 100 8.419 -2.394 0.307 1.00 0.00 C ATOM 0 H ALA A 100 10.747 -0.747 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 100 9.207 -1.665 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.048 -3.323 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.617 -1.657 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.765 -2.579 -0.710 1.00 0.00 H new ATOM 1585 N MET A 101 10.789 -3.556 2.405 1.00 0.00 N ATOM 1586 CA MET A 101 11.809 -4.579 2.626 1.00 0.00 C ATOM 1587 C MET A 101 11.194 -5.842 3.223 1.00 0.00 C ATOM 1588 O MET A 101 10.145 -5.785 3.862 1.00 0.00 O ATOM 1589 CB MET A 101 12.907 -4.044 3.551 1.00 0.00 C ATOM 1590 CG MET A 101 13.469 -2.701 3.112 1.00 0.00 C ATOM 1591 SD MET A 101 12.594 -1.307 3.849 1.00 0.00 S ATOM 1592 CE MET A 101 13.966 -0.255 4.321 1.00 0.00 C ATOM 0 H MET A 101 10.181 -3.387 3.207 1.00 0.00 H new ATOM 0 HA MET A 101 12.248 -4.833 1.661 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.506 -3.949 4.560 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.718 -4.771 3.597 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.524 -2.647 3.382 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.414 -2.626 2.026 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.617 0.508 5.017 1.00 0.00 H new ATOM 0 HE2 MET A 101 14.738 -0.857 4.800 1.00 0.00 H new ATOM 0 HE3 MET A 101 14.379 0.225 3.434 1.00 0.00 H new ATOM 1602 N GLY A 102 11.844 -6.985 3.009 1.00 0.00 N ATOM 1603 CA GLY A 102 11.323 -8.232 3.535 1.00 0.00 C ATOM 1604 C GLY A 102 10.687 -9.068 2.451 1.00 0.00 C ATOM 1605 O GLY A 102 9.525 -9.462 2.555 1.00 0.00 O ATOM 0 H GLY A 102 12.715 -7.068 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.130 -8.795 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.588 -8.021 4.312 1.00 0.00 H new ATOM 1609 N GLU A 103 11.450 -9.319 1.398 1.00 0.00 N ATOM 1610 CA GLU A 103 10.963 -10.091 0.270 1.00 0.00 C ATOM 1611 C GLU A 103 11.440 -11.540 0.344 1.00 0.00 C ATOM 1612 O GLU A 103 12.641 -11.813 0.312 1.00 0.00 O ATOM 1613 CB GLU A 103 11.419 -9.429 -1.035 1.00 0.00 C ATOM 1614 CG GLU A 103 11.214 -10.280 -2.281 1.00 0.00 C ATOM 1615 CD GLU A 103 12.328 -10.106 -3.294 1.00 0.00 C ATOM 1616 OE1 GLU A 103 12.812 -8.965 -3.455 1.00 0.00 O ATOM 1617 OE2 GLU A 103 12.717 -11.110 -3.927 1.00 0.00 O ATOM 0 H GLU A 103 12.413 -8.997 1.303 1.00 0.00 H new ATOM 0 HA GLU A 103 9.874 -10.109 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.879 -8.490 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.477 -9.180 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.150 -11.329 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.263 -10.017 -2.744 1.00 0.00 H new ATOM 1624 N GLU A 104 10.485 -12.462 0.439 1.00 0.00 N ATOM 1625 CA GLU A 104 10.793 -13.886 0.514 1.00 0.00 C ATOM 1626 C GLU A 104 9.519 -14.716 0.670 1.00 0.00 C ATOM 1627 O GLU A 104 9.158 -15.111 1.779 1.00 0.00 O ATOM 1628 CB GLU A 104 11.743 -14.168 1.683 1.00 0.00 C ATOM 1629 CG GLU A 104 12.808 -15.205 1.365 1.00 0.00 C ATOM 1630 CD GLU A 104 13.634 -15.584 2.578 1.00 0.00 C ATOM 1631 OE1 GLU A 104 13.078 -15.590 3.696 1.00 0.00 O ATOM 1632 OE2 GLU A 104 14.837 -15.875 2.409 1.00 0.00 O ATOM 0 H GLU A 104 9.488 -12.246 0.466 1.00 0.00 H new ATOM 0 HA GLU A 104 11.280 -14.172 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.230 -13.238 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.161 -14.508 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.331 -16.098 0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.467 -14.817 0.588 1.00 0.00 H new ATOM 1639 N ILE A 105 8.844 -14.983 -0.445 1.00 0.00 N ATOM 1640 CA ILE A 105 7.616 -15.772 -0.423 1.00 0.00 C ATOM 1641 C ILE A 105 7.922 -17.244 -0.158 1.00 0.00 C ATOM 1642 O ILE A 105 8.877 -17.797 -0.705 1.00 0.00 O ATOM 1643 CB ILE A 105 6.825 -15.656 -1.748 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.456 -16.328 -1.604 1.00 0.00 C ATOM 1645 CG2 ILE A 105 7.611 -16.280 -2.896 1.00 0.00 C ATOM 1646 CD1 ILE A 105 4.297 -15.436 -1.996 1.00 0.00 C ATOM 0 H ILE A 105 9.126 -14.666 -1.372 1.00 0.00 H new ATOM 0 HA ILE A 105 7.003 -15.369 0.383 1.00 0.00 H new ATOM 0 HB ILE A 105 6.673 -14.601 -1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.436 -17.227 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.324 -16.647 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 105 7.040 -16.189 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.565 -15.764 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.792 -17.334 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.361 -15.979 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.291 -14.548 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.404 -15.138 -3.039 1.00 0.00 H new ATOM 1658 N LYS A 106 7.110 -17.874 0.681 1.00 0.00 N ATOM 1659 CA LYS A 106 7.296 -19.282 1.011 1.00 0.00 C ATOM 1660 C LYS A 106 6.149 -20.121 0.458 1.00 0.00 C ATOM 1661 O LYS A 106 5.001 -19.678 0.437 1.00 0.00 O ATOM 1662 CB LYS A 106 7.393 -19.464 2.527 1.00 0.00 C ATOM 1663 CG LYS A 106 8.138 -20.721 2.941 1.00 0.00 C ATOM 1664 CD LYS A 106 9.626 -20.608 2.651 1.00 0.00 C ATOM 1665 CE LYS A 106 10.417 -21.695 3.360 1.00 0.00 C ATOM 1666 NZ LYS A 106 10.306 -23.007 2.663 1.00 0.00 N ATOM 0 H LYS A 106 6.316 -17.433 1.146 1.00 0.00 H new ATOM 0 HA LYS A 106 8.226 -19.620 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.893 -18.597 2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.387 -19.493 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.986 -20.901 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.727 -21.580 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.794 -20.677 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.986 -19.629 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.465 -21.402 3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.058 -21.796 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.859 -23.721 3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.308 -23.299 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.673 -22.917 1.694 1.00 0.00 H new ATOM 1680 N GLU A 107 6.463 -21.336 0.012 1.00 0.00 N ATOM 1681 CA GLU A 107 5.449 -22.233 -0.538 1.00 0.00 C ATOM 1682 C GLU A 107 4.237 -22.301 0.385 1.00 0.00 C ATOM 1683 O GLU A 107 3.098 -22.141 -0.053 1.00 0.00 O ATOM 1684 CB GLU A 107 6.030 -23.633 -0.750 1.00 0.00 C ATOM 1685 CG GLU A 107 6.494 -23.890 -2.174 1.00 0.00 C ATOM 1686 CD GLU A 107 5.431 -24.561 -3.021 1.00 0.00 C ATOM 1687 OE1 GLU A 107 4.427 -23.895 -3.352 1.00 0.00 O ATOM 1688 OE2 GLU A 107 5.602 -25.753 -3.354 1.00 0.00 O ATOM 0 H GLU A 107 7.408 -21.721 0.021 1.00 0.00 H new ATOM 0 HA GLU A 107 5.130 -21.838 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.871 -23.775 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.277 -24.374 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.778 -22.944 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.386 -24.516 -2.154 1.00 0.00 H new ATOM 1695 N GLY A 108 4.496 -22.522 1.669 1.00 0.00 N ATOM 1696 CA GLY A 108 3.423 -22.587 2.643 1.00 0.00 C ATOM 1697 C GLY A 108 3.224 -21.259 3.344 1.00 0.00 C ATOM 1698 O GLY A 108 3.283 -21.178 4.570 1.00 0.00 O ATOM 0 H GLY A 108 5.431 -22.657 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.498 -22.879 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.646 -23.358 3.380 1.00 0.00 H new ATOM 1702 N HIS A 109 2.998 -20.214 2.555 1.00 0.00 N ATOM 1703 CA HIS A 109 2.801 -18.873 3.092 1.00 0.00 C ATOM 1704 C HIS A 109 1.612 -18.827 4.047 1.00 0.00 C ATOM 1705 O HIS A 109 0.675 -19.617 3.928 1.00 0.00 O ATOM 1706 CB HIS A 109 2.599 -17.873 1.950 1.00 0.00 C ATOM 1707 CG HIS A 109 1.299 -18.037 1.224 1.00 0.00 C ATOM 1708 ND1 HIS A 109 0.671 -19.255 1.065 1.00 0.00 N ATOM 1709 CD2 HIS A 109 0.505 -17.125 0.612 1.00 0.00 C ATOM 1710 CE1 HIS A 109 -0.451 -19.085 0.387 1.00 0.00 C ATOM 1711 NE2 HIS A 109 -0.575 -17.802 0.101 1.00 0.00 N ATOM 0 H HIS A 109 2.947 -20.271 1.538 1.00 0.00 H new ATOM 0 HA HIS A 109 3.694 -18.601 3.654 1.00 0.00 H new ATOM 0 HB2 HIS A 109 2.655 -16.861 2.352 1.00 0.00 H new ATOM 0 HB3 HIS A 109 3.418 -17.979 1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 109 0.688 -16.063 0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -1.148 -19.863 0.113 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -1.348 -17.382 -0.416 1.00 0.00 H new ATOM 1720 N GLU A 110 1.662 -17.898 4.997 1.00 0.00 N ATOM 1721 CA GLU A 110 0.595 -17.744 5.978 1.00 0.00 C ATOM 1722 C GLU A 110 -0.696 -17.272 5.315 1.00 0.00 C ATOM 1723 O GLU A 110 -0.688 -16.336 4.515 1.00 0.00 O ATOM 1724 CB GLU A 110 1.015 -16.752 7.065 1.00 0.00 C ATOM 1725 CG GLU A 110 0.085 -16.738 8.268 1.00 0.00 C ATOM 1726 CD GLU A 110 -0.121 -18.118 8.861 1.00 0.00 C ATOM 1727 OE1 GLU A 110 0.722 -18.545 9.677 1.00 0.00 O ATOM 1728 OE2 GLU A 110 -1.126 -18.771 8.510 1.00 0.00 O ATOM 0 H GLU A 110 2.433 -17.239 5.108 1.00 0.00 H new ATOM 0 HA GLU A 110 0.411 -18.718 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.023 -16.997 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.055 -15.751 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.494 -16.076 9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.880 -16.326 7.972 1.00 0.00 H new ATOM 1735 N ARG A 111 -1.802 -17.925 5.653 1.00 0.00 N ATOM 1736 CA ARG A 111 -3.103 -17.572 5.094 1.00 0.00 C ATOM 1737 C ARG A 111 -3.984 -16.905 6.144 1.00 0.00 C ATOM 1738 O ARG A 111 -4.038 -17.344 7.293 1.00 0.00 O ATOM 1739 CB ARG A 111 -3.801 -18.816 4.542 1.00 0.00 C ATOM 1740 CG ARG A 111 -3.276 -19.258 3.186 1.00 0.00 C ATOM 1741 CD ARG A 111 -2.082 -20.186 3.328 1.00 0.00 C ATOM 1742 NE ARG A 111 -2.487 -21.584 3.459 1.00 0.00 N ATOM 1743 CZ ARG A 111 -2.872 -22.342 2.435 1.00 0.00 C ATOM 1744 NH1 ARG A 111 -2.904 -21.843 1.205 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -3.225 -23.603 2.641 1.00 0.00 N ATOM 0 H ARG A 111 -1.824 -18.703 6.312 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.940 -16.865 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.682 -19.634 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.870 -18.617 4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.069 -19.764 2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.991 -18.383 2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -1.433 -20.077 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.498 -19.894 4.201 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.474 -22.003 4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -2.633 -20.874 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.200 -22.429 0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.201 -23.992 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.520 -24.185 1.857 1.00 0.00 H new ATOM 1759 N ARG A 112 -4.673 -15.843 5.742 1.00 0.00 N ATOM 1760 CA ARG A 112 -5.555 -15.115 6.649 1.00 0.00 C ATOM 1761 C ARG A 112 -6.949 -14.971 6.047 1.00 0.00 C ATOM 1762 O ARG A 112 -7.924 -15.498 6.581 1.00 0.00 O ATOM 1763 CB ARG A 112 -4.972 -13.735 6.962 1.00 0.00 C ATOM 1764 CG ARG A 112 -4.293 -13.655 8.319 1.00 0.00 C ATOM 1765 CD ARG A 112 -3.110 -12.700 8.297 1.00 0.00 C ATOM 1766 NE ARG A 112 -1.937 -13.267 8.956 1.00 0.00 N ATOM 1767 CZ ARG A 112 -1.787 -13.330 10.278 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -2.734 -12.862 11.083 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -0.688 -13.862 10.796 1.00 0.00 N ATOM 0 H ARG A 112 -4.638 -15.466 4.795 1.00 0.00 H new ATOM 0 HA ARG A 112 -5.636 -15.683 7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.251 -13.470 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.771 -12.994 6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.013 -13.326 9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.955 -14.648 8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.862 -12.454 7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.387 -11.768 8.789 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.189 -13.636 8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.581 -12.452 10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.614 -12.913 12.095 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.042 -14.223 10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.573 -13.910 11.808 1.00 0.00 H new ATOM 1783 N ASP A 113 -7.034 -14.252 4.933 1.00 0.00 N ATOM 1784 CA ASP A 113 -8.309 -14.038 4.258 1.00 0.00 C ATOM 1785 C ASP A 113 -8.182 -14.308 2.761 1.00 0.00 C ATOM 1786 O ASP A 113 -7.119 -14.112 2.174 1.00 0.00 O ATOM 1787 CB ASP A 113 -8.799 -12.608 4.489 1.00 0.00 C ATOM 1788 CG ASP A 113 -8.925 -12.271 5.962 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -7.951 -12.499 6.709 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -10.000 -11.780 6.369 1.00 0.00 O ATOM 0 H ASP A 113 -6.236 -13.808 4.479 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.035 -14.735 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.108 -11.909 4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -9.767 -12.476 4.005 1.00 0.00 H new ATOM 1795 N GLU A 114 -9.274 -14.758 2.152 1.00 0.00 N ATOM 1796 CA GLU A 114 -9.282 -15.055 0.725 1.00 0.00 C ATOM 1797 C GLU A 114 -9.598 -13.804 -0.089 1.00 0.00 C ATOM 1798 O GLU A 114 -10.749 -13.371 -0.158 1.00 0.00 O ATOM 1799 CB GLU A 114 -10.308 -16.149 0.418 1.00 0.00 C ATOM 1800 CG GLU A 114 -10.078 -17.434 1.194 1.00 0.00 C ATOM 1801 CD GLU A 114 -9.183 -18.410 0.456 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -9.398 -18.610 -0.758 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -8.269 -18.975 1.092 1.00 0.00 O ATOM 0 H GLU A 114 -10.163 -14.925 2.624 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.289 -15.407 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.306 -15.773 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.283 -16.370 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.631 -17.196 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.038 -17.909 1.396 1.00 0.00 H new ATOM 1810 N VAL A 115 -8.571 -13.229 -0.705 1.00 0.00 N ATOM 1811 CA VAL A 115 -8.741 -12.029 -1.514 1.00 0.00 C ATOM 1812 C VAL A 115 -8.595 -12.343 -2.998 1.00 0.00 C ATOM 1813 O VAL A 115 -7.513 -12.701 -3.465 1.00 0.00 O ATOM 1814 CB VAL A 115 -7.729 -10.933 -1.120 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -6.304 -11.392 -1.390 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -8.026 -9.637 -1.859 1.00 0.00 C ATOM 0 H VAL A 115 -7.613 -13.575 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.748 -11.659 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.829 -10.747 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.608 -10.604 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.094 -12.289 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.188 -11.612 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.301 -8.877 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.960 -9.808 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.030 -9.296 -1.607 1.00 0.00 H new ATOM 1826 N LYS A 116 -9.693 -12.209 -3.732 1.00 0.00 N ATOM 1827 CA LYS A 116 -9.693 -12.481 -5.163 1.00 0.00 C ATOM 1828 C LYS A 116 -8.813 -11.486 -5.912 1.00 0.00 C ATOM 1829 O LYS A 116 -8.309 -11.786 -6.994 1.00 0.00 O ATOM 1830 CB LYS A 116 -11.121 -12.430 -5.711 1.00 0.00 C ATOM 1831 CG LYS A 116 -11.890 -13.728 -5.526 1.00 0.00 C ATOM 1832 CD LYS A 116 -13.207 -13.501 -4.798 1.00 0.00 C ATOM 1833 CE LYS A 116 -13.062 -13.730 -3.302 1.00 0.00 C ATOM 1834 NZ LYS A 116 -14.377 -13.692 -2.604 1.00 0.00 N ATOM 0 H LYS A 116 -10.595 -11.913 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.285 -13.480 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.662 -11.623 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.085 -12.187 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.085 -14.178 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.280 -14.436 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.554 -12.484 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.966 -14.173 -5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -12.586 -14.695 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -12.405 -12.969 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.235 -13.852 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.820 -12.763 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.996 -14.435 -2.988 1.00 0.00 H new ATOM 1848 N ALA A 117 -8.628 -10.299 -5.335 1.00 0.00 N ATOM 1849 CA ALA A 117 -7.806 -9.269 -5.964 1.00 0.00 C ATOM 1850 C ALA A 117 -7.849 -7.959 -5.183 1.00 0.00 C ATOM 1851 O ALA A 117 -8.478 -7.871 -4.129 1.00 0.00 O ATOM 1852 CB ALA A 117 -8.259 -9.035 -7.400 1.00 0.00 C ATOM 0 H ALA A 117 -9.034 -10.029 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.776 -9.625 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -7.638 -8.265 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.164 -9.961 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.300 -8.712 -7.405 1.00 0.00 H new ATOM 1858 N VAL A 118 -7.173 -6.944 -5.715 1.00 0.00 N ATOM 1859 CA VAL A 118 -7.129 -5.631 -5.082 1.00 0.00 C ATOM 1860 C VAL A 118 -7.767 -4.576 -5.986 1.00 0.00 C ATOM 1861 O VAL A 118 -7.218 -4.226 -7.031 1.00 0.00 O ATOM 1862 CB VAL A 118 -5.676 -5.217 -4.752 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -4.779 -5.388 -5.969 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -5.620 -3.785 -4.235 1.00 0.00 C ATOM 0 H VAL A 118 -6.647 -7.007 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.693 -5.697 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.309 -5.873 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.761 -5.091 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -4.785 -6.432 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -5.147 -4.763 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -4.587 -3.519 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.012 -3.108 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -6.221 -3.701 -3.330 1.00 0.00 H new ATOM 1874 N THR A 119 -8.930 -4.078 -5.580 1.00 0.00 N ATOM 1875 CA THR A 119 -9.642 -3.071 -6.359 1.00 0.00 C ATOM 1876 C THR A 119 -9.734 -1.748 -5.604 1.00 0.00 C ATOM 1877 O THR A 119 -10.531 -1.605 -4.677 1.00 0.00 O ATOM 1878 CB THR A 119 -11.045 -3.568 -6.709 1.00 0.00 C ATOM 1879 OG1 THR A 119 -10.989 -4.846 -7.316 1.00 0.00 O ATOM 1880 CG2 THR A 119 -11.789 -2.644 -7.650 1.00 0.00 C ATOM 0 H THR A 119 -9.399 -4.355 -4.718 1.00 0.00 H new ATOM 0 HA THR A 119 -9.080 -2.901 -7.277 1.00 0.00 H new ATOM 0 HB THR A 119 -11.582 -3.606 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 119 -11.897 -5.146 -7.530 1.00 0.00 H new ATOM 0 HG21 THR A 119 -12.777 -3.055 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 119 -11.894 -1.662 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 119 -11.232 -2.549 -8.582 1.00 0.00 H new ATOM 1888 N PHE A 120 -8.920 -0.779 -6.017 1.00 0.00 N ATOM 1889 CA PHE A 120 -8.904 0.547 -5.397 1.00 0.00 C ATOM 1890 C PHE A 120 -10.319 1.031 -5.081 1.00 0.00 C ATOM 1891 O PHE A 120 -11.063 1.421 -5.981 1.00 0.00 O ATOM 1892 CB PHE A 120 -8.217 1.549 -6.330 1.00 0.00 C ATOM 1893 CG PHE A 120 -8.915 1.729 -7.650 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -8.755 0.800 -8.666 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -9.728 2.829 -7.874 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -9.394 0.965 -9.881 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -10.369 2.998 -9.086 1.00 0.00 C ATOM 1898 CZ PHE A 120 -10.202 2.065 -10.092 1.00 0.00 C ATOM 0 H PHE A 120 -8.257 -0.888 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.351 0.473 -4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.155 2.515 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.194 1.219 -6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -8.124 -0.062 -8.507 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.862 3.562 -7.092 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.261 0.234 -10.665 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -11.001 3.859 -9.247 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.702 2.196 -11.040 1.00 0.00 H new ATOM 1908 N HIS A 121 -10.682 1.032 -3.797 1.00 0.00 N ATOM 1909 CA HIS A 121 -12.007 1.508 -3.390 1.00 0.00 C ATOM 1910 C HIS A 121 -12.184 2.916 -3.924 1.00 0.00 C ATOM 1911 O HIS A 121 -13.253 3.331 -4.373 1.00 0.00 O ATOM 1912 CB HIS A 121 -12.143 1.558 -1.865 1.00 0.00 C ATOM 1913 CG HIS A 121 -13.492 2.013 -1.401 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -14.647 1.805 -2.124 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -13.867 2.672 -0.278 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -15.674 2.313 -1.468 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -15.229 2.845 -0.344 1.00 0.00 N ATOM 0 H HIS A 121 -10.088 0.714 -3.031 1.00 0.00 H new ATOM 0 HA HIS A 121 -12.758 0.823 -3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -11.942 0.567 -1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -11.384 2.228 -1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -13.217 3.000 0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -16.703 2.296 -1.795 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -15.803 3.309 0.360 1.00 0.00 H new ATOM 1926 N MET A 122 -11.073 3.617 -3.847 1.00 0.00 N ATOM 1927 CA MET A 122 -10.929 4.987 -4.276 1.00 0.00 C ATOM 1928 C MET A 122 -9.469 5.365 -4.073 1.00 0.00 C ATOM 1929 O MET A 122 -8.886 6.109 -4.862 1.00 0.00 O ATOM 1930 CB MET A 122 -11.850 5.916 -3.482 1.00 0.00 C ATOM 1931 CG MET A 122 -12.879 6.634 -4.342 1.00 0.00 C ATOM 1932 SD MET A 122 -13.247 8.294 -3.743 1.00 0.00 S ATOM 1933 CE MET A 122 -14.878 8.049 -3.044 1.00 0.00 C ATOM 0 H MET A 122 -10.210 3.229 -3.467 1.00 0.00 H new ATOM 0 HA MET A 122 -11.213 5.091 -5.323 1.00 0.00 H new ATOM 0 HB2 MET A 122 -12.368 5.335 -2.719 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.243 6.657 -2.961 1.00 0.00 H new ATOM 0 HG2 MET A 122 -12.512 6.695 -5.367 1.00 0.00 H new ATOM 0 HG3 MET A 122 -13.798 6.049 -4.367 1.00 0.00 H new ATOM 0 HE1 MET A 122 -15.033 8.753 -2.226 1.00 0.00 H new ATOM 0 HE2 MET A 122 -15.632 8.215 -3.813 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.963 7.030 -2.667 1.00 0.00 H new ATOM 1943 N MET A 123 -8.874 4.804 -3.007 1.00 0.00 N ATOM 1944 CA MET A 123 -7.478 5.037 -2.697 1.00 0.00 C ATOM 1945 C MET A 123 -7.189 6.524 -2.678 1.00 0.00 C ATOM 1946 O MET A 123 -6.406 7.037 -3.476 1.00 0.00 O ATOM 1947 CB MET A 123 -6.595 4.307 -3.712 1.00 0.00 C ATOM 1948 CG MET A 123 -5.933 3.061 -3.150 1.00 0.00 C ATOM 1949 SD MET A 123 -5.734 1.764 -4.385 1.00 0.00 S ATOM 1950 CE MET A 123 -4.750 2.616 -5.615 1.00 0.00 C ATOM 0 H MET A 123 -9.351 4.186 -2.351 1.00 0.00 H new ATOM 0 HA MET A 123 -7.253 4.643 -1.706 1.00 0.00 H new ATOM 0 HB2 MET A 123 -7.200 4.030 -4.576 1.00 0.00 H new ATOM 0 HB3 MET A 123 -5.824 4.990 -4.069 1.00 0.00 H new ATOM 0 HG2 MET A 123 -4.956 3.325 -2.745 1.00 0.00 H new ATOM 0 HG3 MET A 123 -6.529 2.680 -2.321 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.168 1.890 -6.182 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.407 3.162 -6.292 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.076 3.315 -5.121 1.00 0.00 H new ATOM 1960 N GLU A 124 -7.844 7.209 -1.751 1.00 0.00 N ATOM 1961 CA GLU A 124 -7.682 8.642 -1.604 1.00 0.00 C ATOM 1962 C GLU A 124 -7.481 8.995 -0.143 1.00 0.00 C ATOM 1963 O GLU A 124 -8.084 8.387 0.741 1.00 0.00 O ATOM 1964 CB GLU A 124 -8.901 9.379 -2.159 1.00 0.00 C ATOM 1965 CG GLU A 124 -9.172 9.090 -3.626 1.00 0.00 C ATOM 1966 CD GLU A 124 -10.120 10.093 -4.254 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -11.179 10.366 -3.649 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -9.804 10.607 -5.347 1.00 0.00 O ATOM 0 H GLU A 124 -8.495 6.789 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 124 -6.803 8.952 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -9.779 9.103 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -8.756 10.452 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -8.229 9.095 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -9.592 8.089 -3.723 1.00 0.00 H new ATOM 1975 N ILE A 125 -6.632 9.974 0.108 1.00 0.00 N ATOM 1976 CA ILE A 125 -6.358 10.396 1.469 1.00 0.00 C ATOM 1977 C ILE A 125 -7.209 11.597 1.845 1.00 0.00 C ATOM 1978 O ILE A 125 -7.038 12.689 1.303 1.00 0.00 O ATOM 1979 CB ILE A 125 -4.871 10.746 1.674 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -4.313 11.469 0.448 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -4.068 9.487 1.962 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -2.931 12.038 0.661 1.00 0.00 C ATOM 0 H ILE A 125 -6.122 10.490 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.608 9.554 2.115 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.789 11.415 2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.286 10.775 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.991 12.277 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.020 9.749 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.449 9.011 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.159 8.798 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.598 12.536 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.956 12.757 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.240 11.232 0.907 1.00 0.00 H new ATOM 1994 N LEU A 126 -8.125 11.388 2.782 1.00 0.00 N ATOM 1995 CA LEU A 126 -9.003 12.462 3.235 1.00 0.00 C ATOM 1996 C LEU A 126 -8.535 12.989 4.585 1.00 0.00 C ATOM 1997 O LEU A 126 -8.168 12.214 5.470 1.00 0.00 O ATOM 1998 CB LEU A 126 -10.447 11.964 3.334 1.00 0.00 C ATOM 1999 CG LEU A 126 -11.488 12.857 2.654 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -12.599 12.016 2.045 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -12.059 13.859 3.647 1.00 0.00 C ATOM 0 H LEU A 126 -8.280 10.491 3.241 1.00 0.00 H new ATOM 0 HA LEU A 126 -8.964 13.273 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.503 10.968 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.709 11.863 4.387 1.00 0.00 H new ATOM 0 HG LEU A 126 -10.997 13.408 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.329 12.669 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.177 11.338 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -13.088 11.437 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.797 14.486 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.534 13.325 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.255 14.484 4.036 1.00 0.00 H new ATOM 2013 N ASP A 127 -8.527 14.310 4.736 1.00 0.00 N ATOM 2014 CA ASP A 127 -8.077 14.922 5.978 1.00 0.00 C ATOM 2015 C ASP A 127 -9.247 15.288 6.886 1.00 0.00 C ATOM 2016 O ASP A 127 -10.130 16.056 6.504 1.00 0.00 O ATOM 2017 CB ASP A 127 -7.246 16.170 5.678 1.00 0.00 C ATOM 2018 CG ASP A 127 -5.782 15.850 5.447 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -5.015 15.832 6.434 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -5.402 15.617 4.281 1.00 0.00 O ATOM 0 H ASP A 127 -8.825 14.971 4.019 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.463 14.189 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.649 16.668 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.335 16.870 6.508 1.00 0.00 H new ATOM 2025 N GLU A 128 -9.231 14.745 8.098 1.00 0.00 N ATOM 2026 CA GLU A 128 -10.270 15.018 9.083 1.00 0.00 C ATOM 2027 C GLU A 128 -9.654 15.547 10.375 1.00 0.00 C ATOM 2028 O GLU A 128 -8.866 14.854 11.020 1.00 0.00 O ATOM 2029 CB GLU A 128 -11.084 13.754 9.368 1.00 0.00 C ATOM 2030 CG GLU A 128 -12.582 13.999 9.433 1.00 0.00 C ATOM 2031 CD GLU A 128 -13.388 12.828 8.904 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -13.597 12.758 7.674 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -13.810 11.980 9.719 1.00 0.00 O ATOM 0 H GLU A 128 -8.504 14.108 8.423 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.937 15.778 8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -10.878 13.016 8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.753 13.324 10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.870 14.196 10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.826 14.892 8.858 1.00 0.00 H new ATOM 2040 N ASP A 129 -10.008 16.770 10.753 1.00 0.00 N ATOM 2041 CA ASP A 129 -9.475 17.368 11.974 1.00 0.00 C ATOM 2042 C ASP A 129 -7.957 17.493 11.900 1.00 0.00 C ATOM 2043 O ASP A 129 -7.275 17.544 12.923 1.00 0.00 O ATOM 2044 CB ASP A 129 -9.850 16.512 13.178 1.00 0.00 C ATOM 2045 CG ASP A 129 -10.199 17.342 14.397 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -11.292 17.947 14.410 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -9.380 17.387 15.340 1.00 0.00 O ATOM 0 H ASP A 129 -10.657 17.364 10.237 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.906 18.364 12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.699 15.879 12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.020 15.849 13.420 1.00 0.00 H new ATOM 2052 N GLY A 130 -7.439 17.530 10.683 1.00 0.00 N ATOM 2053 CA GLY A 130 -6.005 17.633 10.484 1.00 0.00 C ATOM 2054 C GLY A 130 -5.334 16.275 10.371 1.00 0.00 C ATOM 2055 O GLY A 130 -4.118 16.189 10.204 1.00 0.00 O ATOM 0 H GLY A 130 -7.987 17.490 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.807 18.209 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.565 18.184 11.315 1.00 0.00 H new ATOM 2059 N LEU A 131 -6.132 15.213 10.452 1.00 0.00 N ATOM 2060 CA LEU A 131 -5.616 13.854 10.346 1.00 0.00 C ATOM 2061 C LEU A 131 -5.894 13.293 8.956 1.00 0.00 C ATOM 2062 O LEU A 131 -6.913 13.608 8.348 1.00 0.00 O ATOM 2063 CB LEU A 131 -6.245 12.956 11.413 1.00 0.00 C ATOM 2064 CG LEU A 131 -5.547 12.978 12.774 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -6.174 11.958 13.712 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -4.055 12.714 12.615 1.00 0.00 C ATOM 0 H LEU A 131 -7.141 15.270 10.591 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.538 13.880 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -7.284 13.255 11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -6.254 11.931 11.043 1.00 0.00 H new ATOM 0 HG LEU A 131 -5.675 13.969 13.210 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -5.665 11.988 14.675 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -7.229 12.193 13.852 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.078 10.961 13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -3.576 12.734 13.594 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -3.905 11.736 12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.615 13.483 11.980 1.00 0.00 H new ATOM 2078 N ILE A 132 -4.979 12.471 8.453 1.00 0.00 N ATOM 2079 CA ILE A 132 -5.131 11.884 7.120 1.00 0.00 C ATOM 2080 C ILE A 132 -5.632 10.451 7.186 1.00 0.00 C ATOM 2081 O ILE A 132 -5.147 9.649 7.982 1.00 0.00 O ATOM 2082 CB ILE A 132 -3.805 11.863 6.318 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -2.586 12.010 7.238 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -3.796 12.946 5.254 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -2.163 13.446 7.480 1.00 0.00 C ATOM 0 H ILE A 132 -4.128 12.195 8.942 1.00 0.00 H new ATOM 0 HA ILE A 132 -5.856 12.524 6.618 1.00 0.00 H new ATOM 0 HB ILE A 132 -3.740 10.892 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -2.809 11.542 8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -1.748 11.464 6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -2.855 12.910 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -4.624 12.785 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -3.903 13.922 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.295 13.464 8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.906 13.915 6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.983 13.994 7.945 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.580 10.127 6.316 1.00 0.00 N ATOM 2098 CA LYS A 133 -7.115 8.778 6.250 1.00 0.00 C ATOM 2099 C LYS A 133 -7.203 8.310 4.798 1.00 0.00 C ATOM 2100 O LYS A 133 -7.621 9.063 3.919 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.499 8.719 6.897 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.537 9.291 8.304 1.00 0.00 C ATOM 2103 CD LYS A 133 -9.513 10.451 8.408 1.00 0.00 C ATOM 2104 CE LYS A 133 -9.709 10.882 9.852 1.00 0.00 C ATOM 2105 NZ LYS A 133 -8.632 11.802 10.307 1.00 0.00 N ATOM 0 H LYS A 133 -6.992 10.780 5.649 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.442 8.117 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.206 9.265 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.833 7.682 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -8.823 8.509 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.540 9.627 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -9.144 11.293 7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.472 10.161 7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -10.676 11.375 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -9.730 10.001 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -8.683 11.912 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -7.706 11.408 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -8.754 12.730 9.854 1.00 0.00 H new ATOM 2119 N ALA A 134 -6.816 7.063 4.557 1.00 0.00 N ATOM 2120 CA ALA A 134 -6.857 6.483 3.210 1.00 0.00 C ATOM 2121 C ALA A 134 -7.850 5.319 3.136 1.00 0.00 C ATOM 2122 O ALA A 134 -8.058 4.617 4.124 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.466 6.019 2.800 1.00 0.00 C ATOM 0 H ALA A 134 -6.468 6.428 5.276 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.195 7.254 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.506 5.590 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.783 6.869 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.112 5.266 3.504 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.474 5.127 1.968 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.462 4.045 1.798 1.00 0.00 C ATOM 2131 C ARG A 135 -9.151 3.116 0.618 1.00 0.00 C ATOM 2132 O ARG A 135 -9.086 3.557 -0.529 1.00 0.00 O ATOM 2133 CB ARG A 135 -10.861 4.634 1.629 1.00 0.00 C ATOM 2134 CG ARG A 135 -10.875 5.961 0.892 1.00 0.00 C ATOM 2135 CD ARG A 135 -12.021 6.035 -0.101 1.00 0.00 C ATOM 2136 NE ARG A 135 -12.894 7.177 0.155 1.00 0.00 N ATOM 2137 CZ ARG A 135 -14.221 7.147 0.040 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -14.843 6.037 -0.339 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -14.930 8.237 0.301 1.00 0.00 N ATOM 0 H ARG A 135 -8.319 5.695 1.135 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.411 3.438 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.484 3.921 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.311 4.769 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -10.962 6.776 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -9.929 6.097 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.620 6.105 -1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.604 5.115 -0.051 1.00 0.00 H new ATOM 0 HE ARG A 135 -12.460 8.055 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.304 5.196 -0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.859 6.025 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.459 9.095 0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.946 8.217 0.214 1.00 0.00 H new ATOM 2153 N VAL A 136 -8.964 1.819 0.915 1.00 0.00 N ATOM 2154 CA VAL A 136 -8.665 0.828 -0.126 1.00 0.00 C ATOM 2155 C VAL A 136 -9.550 -0.437 -0.070 1.00 0.00 C ATOM 2156 O VAL A 136 -9.467 -1.214 0.878 1.00 0.00 O ATOM 2157 CB VAL A 136 -7.193 0.384 -0.053 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -6.812 -0.402 -1.297 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -6.277 1.585 0.133 1.00 0.00 C ATOM 0 H VAL A 136 -9.014 1.437 1.859 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.878 1.340 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.072 -0.268 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.768 -0.708 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.445 -1.286 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -6.950 0.224 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.241 1.249 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.397 2.268 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.535 2.100 1.058 1.00 0.00 H new ATOM 2169 N ILE A 137 -10.339 -0.651 -1.132 1.00 0.00 N ATOM 2170 CA ILE A 137 -11.207 -1.827 -1.298 1.00 0.00 C ATOM 2171 C ILE A 137 -10.420 -2.974 -1.916 1.00 0.00 C ATOM 2172 O ILE A 137 -9.579 -2.777 -2.792 1.00 0.00 O ATOM 2173 CB ILE A 137 -12.448 -1.535 -2.185 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -13.632 -1.085 -1.316 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -12.835 -2.752 -3.023 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -14.412 -2.229 -0.699 1.00 0.00 C ATOM 0 H ILE A 137 -10.393 0.000 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 137 -11.562 -2.096 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 137 -12.186 -0.729 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -13.261 -0.440 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -14.308 -0.484 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -13.707 -2.512 -3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -12.004 -3.026 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -13.071 -3.587 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -15.231 -1.830 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -14.815 -2.862 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -13.752 -2.818 -0.063 1.00 0.00 H new ATOM 2188 N LEU A 138 -10.695 -4.166 -1.428 1.00 0.00 N ATOM 2189 CA LEU A 138 -10.035 -5.376 -1.875 1.00 0.00 C ATOM 2190 C LEU A 138 -11.089 -6.429 -2.179 1.00 0.00 C ATOM 2191 O LEU A 138 -12.177 -6.379 -1.622 1.00 0.00 O ATOM 2192 CB LEU A 138 -9.048 -5.843 -0.807 1.00 0.00 C ATOM 2193 CG LEU A 138 -7.910 -4.853 -0.529 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -7.159 -4.549 -1.815 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -8.446 -3.561 0.079 1.00 0.00 C ATOM 0 H LEU A 138 -11.392 -4.324 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.468 -5.192 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.592 -6.024 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.619 -6.796 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.227 -5.310 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.353 -3.845 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -6.741 -5.471 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.844 -4.112 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.619 -2.876 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -9.150 -3.098 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.953 -3.784 1.018 1.00 0.00 H new ATOM 2207 N ASP A 139 -10.805 -7.348 -3.089 1.00 0.00 N ATOM 2208 CA ASP A 139 -11.807 -8.343 -3.460 1.00 0.00 C ATOM 2209 C ASP A 139 -11.850 -9.495 -2.464 1.00 0.00 C ATOM 2210 O ASP A 139 -10.918 -10.289 -2.365 1.00 0.00 O ATOM 2211 CB ASP A 139 -11.523 -8.883 -4.862 1.00 0.00 C ATOM 2212 CG ASP A 139 -12.793 -9.124 -5.656 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -13.428 -10.180 -5.453 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -13.151 -8.257 -6.480 1.00 0.00 O ATOM 0 H ASP A 139 -9.912 -7.429 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.779 -7.850 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -10.890 -8.177 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -10.964 -9.816 -4.783 1.00 0.00 H new ATOM 2219 N LEU A 140 -12.968 -9.568 -1.738 1.00 0.00 N ATOM 2220 CA LEU A 140 -13.196 -10.607 -0.737 1.00 0.00 C ATOM 2221 C LEU A 140 -14.478 -10.329 0.040 1.00 0.00 C ATOM 2222 O LEU A 140 -15.287 -11.267 0.201 1.00 0.00 O ATOM 2223 CB LEU A 140 -12.015 -10.699 0.232 1.00 0.00 C ATOM 2224 CG LEU A 140 -11.663 -9.391 0.949 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -11.474 -9.632 2.439 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -10.411 -8.771 0.347 1.00 0.00 C ATOM 2227 OXT LEU A 140 -14.662 -9.176 0.484 1.00 0.00 O ATOM 0 H LEU A 140 -13.740 -8.907 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 140 -13.295 -11.559 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -12.238 -11.458 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -11.139 -11.042 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 140 -12.490 -8.694 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -11.225 -8.692 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -12.396 -10.030 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -10.666 -10.347 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -10.177 -7.843 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -9.576 -9.465 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -10.581 -8.560 -0.709 1.00 0.00 H new