USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 895 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 74 THR OG1 : rot 180:sc= -0.16 USER MOD Set 1.2: A 104 THR OG1 : rot 107:sc= 0.0239 USER MOD Set 1.3: A 105 ASN : amide:sc= 0.798 K(o=0.66,f=-2.7) USER MOD Single : A 1 GLU N :NH3+ 153:sc= 0.356 (180deg=0.0816) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.4) USER MOD Single : A 9 THR OG1 : rot 160:sc= -2.09 USER MOD Single : A 10 TYR OH : rot 106:sc= 1.32 USER MOD Single : A 11 HIS : no HE2:sc= -0.472 K(o=-0.47,f=-1.4) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.6 K(o=-0.6,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.365 K(o=-0.36,f=-0.98) USER MOD Single : A 19 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.4!) USER MOD Single : A 28 SER OG : rot -90:sc= 1.06 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 37 SER OG : rot -109:sc= 0.00831 USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.316) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -83:sc= 0.907 USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0.711 (180deg=0.513) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 129:sc= 1.52 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 71 ASN : amide:sc= 0.13 K(o=0.13,f=-10!) USER MOD Single : A 77 GLN : amide:sc= -1.84! C(o=-1.8!,f=-9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.03 K(o=-2,f=-0.56) USER MOD Single : A 88 ASN : amide:sc= -0.615 K(o=-0.61,f=-3!) USER MOD Single : A 97 THR OG1 : rot 130:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.164) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.3) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 113 HIS : no HE2:sc= 0.591 K(o=0.59,f=-2.8!) USER MOD Single : A 115 ASN : amide:sc= -0.0719 K(o=-0.072,f=-1.5) USER MOD Single : A 117 ASN : amide:sc= -1.31 K(o=-1.3,f=-8.4!) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 119 GLN : amide:sc= -3.85! C(o=-3.8!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.702 12.953 0.630 1.00 0.00 N ATOM 2 CA GLU A 1 2.829 13.706 -0.660 1.00 0.00 C ATOM 3 C GLU A 1 4.125 13.399 -1.433 1.00 0.00 C ATOM 4 O GLU A 1 4.058 12.815 -2.498 1.00 0.00 O ATOM 5 CB GLU A 1 2.747 15.186 -0.337 1.00 0.00 C ATOM 6 CG GLU A 1 2.924 16.010 -1.637 1.00 0.00 C ATOM 7 CD GLU A 1 2.719 17.476 -1.288 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.589 17.784 -0.955 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.711 18.174 -1.373 1.00 0.00 O ATOM 0 H1 GLU A 1 2.108 13.494 1.291 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.265 12.027 0.450 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.645 12.815 1.046 1.00 0.00 H new ATOM 0 HA GLU A 1 2.019 13.391 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.786 15.416 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.519 15.455 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.917 15.852 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.205 15.693 -2.392 1.00 0.00 H new ATOM 18 N GLN A 2 5.246 13.801 -0.895 1.00 0.00 N ATOM 19 CA GLN A 2 6.554 13.538 -1.576 1.00 0.00 C ATOM 20 C GLN A 2 7.562 12.959 -0.561 1.00 0.00 C ATOM 21 O GLN A 2 7.845 13.602 0.434 1.00 0.00 O ATOM 22 CB GLN A 2 7.107 14.869 -2.158 1.00 0.00 C ATOM 23 CG GLN A 2 8.376 14.565 -3.031 1.00 0.00 C ATOM 24 CD GLN A 2 9.165 15.830 -3.377 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.633 16.845 -3.762 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.453 15.828 -3.266 1.00 0.00 N ATOM 0 H GLN A 2 5.315 14.303 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 2 6.406 12.820 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.344 15.360 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.363 15.554 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.024 13.871 -2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.069 14.068 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.936 14.989 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.986 16.665 -3.500 1.00 0.00 H new ATOM 35 N ALA A 3 8.045 11.770 -0.829 1.00 0.00 N ATOM 36 CA ALA A 3 9.039 11.138 0.091 1.00 0.00 C ATOM 37 C ALA A 3 10.090 10.332 -0.725 1.00 0.00 C ATOM 38 O ALA A 3 9.754 9.784 -1.764 1.00 0.00 O ATOM 39 CB ALA A 3 8.248 10.236 1.044 1.00 0.00 C ATOM 0 H ALA A 3 7.794 11.211 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 3 9.592 11.887 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.934 9.750 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.531 10.837 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.716 9.478 0.470 1.00 0.00 H new ATOM 45 N ASN A 4 11.306 10.295 -0.232 1.00 0.00 N ATOM 46 CA ASN A 4 12.454 9.563 -0.875 1.00 0.00 C ATOM 47 C ASN A 4 13.085 8.587 0.158 1.00 0.00 C ATOM 48 O ASN A 4 12.624 8.514 1.278 1.00 0.00 O ATOM 49 CB ASN A 4 13.503 10.606 -1.341 1.00 0.00 C ATOM 50 CG ASN A 4 12.856 11.616 -2.272 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.009 12.398 -1.909 1.00 0.00 O ATOM 52 ND2 ASN A 4 13.203 11.664 -3.511 1.00 0.00 N ATOM 0 H ASN A 4 11.564 10.767 0.635 1.00 0.00 H new ATOM 0 HA ASN A 4 12.107 8.987 -1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.928 11.117 -0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.325 10.104 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.767 12.341 -4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.914 11.025 -3.867 1.00 0.00 H new ATOM 59 N ASP A 5 14.115 7.880 -0.230 1.00 0.00 N ATOM 60 CA ASP A 5 14.856 6.885 0.624 1.00 0.00 C ATOM 61 C ASP A 5 13.957 6.198 1.669 1.00 0.00 C ATOM 62 O ASP A 5 14.179 6.264 2.863 1.00 0.00 O ATOM 63 CB ASP A 5 16.021 7.690 1.257 1.00 0.00 C ATOM 64 CG ASP A 5 16.913 8.149 0.123 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.707 7.308 -0.257 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.736 9.282 -0.291 1.00 0.00 O ATOM 0 H ASP A 5 14.501 7.956 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 5 15.226 6.048 0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.640 8.544 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.579 7.072 1.960 1.00 0.00 H new ATOM 71 N VAL A 6 12.953 5.541 1.149 1.00 0.00 N ATOM 72 CA VAL A 6 11.994 4.833 2.047 1.00 0.00 C ATOM 73 C VAL A 6 12.176 3.313 1.992 1.00 0.00 C ATOM 74 O VAL A 6 12.322 2.737 0.924 1.00 0.00 O ATOM 75 CB VAL A 6 10.529 5.173 1.625 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.542 4.676 2.703 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.305 6.683 1.441 1.00 0.00 C ATOM 0 H VAL A 6 12.757 5.464 0.151 1.00 0.00 H new ATOM 0 HA VAL A 6 12.192 5.170 3.065 1.00 0.00 H new ATOM 0 HB VAL A 6 10.357 4.675 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.523 4.917 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.641 3.597 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.764 5.163 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.271 6.864 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.512 7.198 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.973 7.058 0.666 1.00 0.00 H new ATOM 87 N ARG A 7 12.150 2.734 3.166 1.00 0.00 N ATOM 88 CA ARG A 7 12.299 1.261 3.301 1.00 0.00 C ATOM 89 C ARG A 7 10.890 0.705 3.092 1.00 0.00 C ATOM 90 O ARG A 7 10.016 0.785 3.936 1.00 0.00 O ATOM 91 CB ARG A 7 12.825 0.924 4.702 1.00 0.00 C ATOM 92 CG ARG A 7 14.337 1.208 4.732 1.00 0.00 C ATOM 93 CD ARG A 7 14.874 0.700 6.062 1.00 0.00 C ATOM 94 NE ARG A 7 16.368 0.758 5.968 1.00 0.00 N ATOM 95 CZ ARG A 7 17.099 0.315 6.911 1.00 0.00 C ATOM 96 NH1 ARG A 7 17.388 -0.923 6.939 1.00 0.00 N ATOM 97 NH2 ARG A 7 17.490 1.162 7.770 1.00 0.00 N ATOM 0 H ARG A 7 12.030 3.232 4.048 1.00 0.00 H new ATOM 0 HA ARG A 7 13.005 0.837 2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.311 1.522 5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.630 -0.122 4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.837 0.709 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.528 2.276 4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.513 1.315 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.537 -0.319 6.253 1.00 0.00 H new ATOM 0 HE ARG A 7 16.805 1.158 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.035 -1.546 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.973 -1.293 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.216 2.141 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.078 0.865 8.548 1.00 0.00 H new ATOM 111 N ALA A 8 10.754 0.166 1.920 1.00 0.00 N ATOM 112 CA ALA A 8 9.466 -0.430 1.495 1.00 0.00 C ATOM 113 C ALA A 8 9.600 -1.946 1.458 1.00 0.00 C ATOM 114 O ALA A 8 10.590 -2.458 0.986 1.00 0.00 O ATOM 115 CB ALA A 8 9.110 0.108 0.084 1.00 0.00 C ATOM 0 H ALA A 8 11.498 0.112 1.224 1.00 0.00 H new ATOM 0 HA ALA A 8 8.676 -0.162 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.163 -0.323 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.021 1.194 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.895 -0.168 -0.620 1.00 0.00 H new ATOM 121 N THR A 9 8.613 -2.616 1.968 1.00 0.00 N ATOM 122 CA THR A 9 8.605 -4.114 1.979 1.00 0.00 C ATOM 123 C THR A 9 7.327 -4.372 1.158 1.00 0.00 C ATOM 124 O THR A 9 7.154 -3.746 0.130 1.00 0.00 O ATOM 125 CB THR A 9 8.470 -4.669 3.434 1.00 0.00 C ATOM 126 OG1 THR A 9 7.215 -4.206 3.884 1.00 0.00 O ATOM 127 CG2 THR A 9 9.390 -4.005 4.433 1.00 0.00 C ATOM 0 H THR A 9 7.789 -2.186 2.389 1.00 0.00 H new ATOM 0 HA THR A 9 9.507 -4.587 1.592 1.00 0.00 H new ATOM 0 HB THR A 9 8.656 -5.742 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.914 -4.756 4.637 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.236 -4.445 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.426 -4.152 4.128 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.172 -2.938 4.475 1.00 0.00 H new ATOM 135 N TYR A 10 6.461 -5.258 1.570 1.00 0.00 N ATOM 136 CA TYR A 10 5.213 -5.500 0.773 1.00 0.00 C ATOM 137 C TYR A 10 3.986 -6.083 1.528 1.00 0.00 C ATOM 138 O TYR A 10 3.784 -7.280 1.526 1.00 0.00 O ATOM 139 CB TYR A 10 5.594 -6.413 -0.450 1.00 0.00 C ATOM 140 CG TYR A 10 6.798 -7.320 -0.166 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.813 -8.172 0.916 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.896 -7.277 -1.000 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.916 -8.969 1.159 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.994 -8.072 -0.756 1.00 0.00 C ATOM 145 CZ TYR A 10 9.011 -8.924 0.329 1.00 0.00 C ATOM 146 OH TYR A 10 10.104 -9.713 0.600 1.00 0.00 O ATOM 0 H TYR A 10 6.557 -5.822 2.414 1.00 0.00 H new ATOM 0 HA TYR A 10 4.859 -4.513 0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.736 -7.030 -0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.815 -5.783 -1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.960 -8.218 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.895 -6.614 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.918 -9.634 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.846 -8.028 -1.418 1.00 0.00 H new ATOM 0 HH TYR A 10 10.130 -10.463 -0.030 1.00 0.00 H new ATOM 156 N HIS A 11 3.168 -5.282 2.179 1.00 0.00 N ATOM 157 CA HIS A 11 1.998 -5.903 2.869 1.00 0.00 C ATOM 158 C HIS A 11 1.083 -5.978 1.629 1.00 0.00 C ATOM 159 O HIS A 11 0.555 -4.975 1.200 1.00 0.00 O ATOM 160 CB HIS A 11 1.450 -4.946 3.936 1.00 0.00 C ATOM 161 CG HIS A 11 0.355 -5.683 4.674 1.00 0.00 C ATOM 162 ND1 HIS A 11 0.471 -6.160 5.863 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.920 -6.013 4.279 1.00 0.00 C ATOM 164 CE1 HIS A 11 -0.636 -6.748 6.197 1.00 0.00 C ATOM 165 NE2 HIS A 11 -1.530 -6.679 5.238 1.00 0.00 N ATOM 0 H HIS A 11 3.256 -4.269 2.259 1.00 0.00 H new ATOM 0 HA HIS A 11 2.155 -6.838 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.240 -4.642 4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.061 -4.038 3.476 1.00 0.00 H new ATOM 0 HD1 HIS A 11 1.302 -6.087 6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.357 -5.763 3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.802 -7.234 7.147 1.00 0.00 H new ATOM 173 N TYR A 12 0.931 -7.161 1.098 1.00 0.00 N ATOM 174 CA TYR A 12 0.086 -7.386 -0.127 1.00 0.00 C ATOM 175 C TYR A 12 -1.419 -7.668 0.017 1.00 0.00 C ATOM 176 O TYR A 12 -1.865 -8.800 0.084 1.00 0.00 O ATOM 177 CB TYR A 12 0.763 -8.554 -0.941 1.00 0.00 C ATOM 178 CG TYR A 12 1.525 -9.529 -0.028 1.00 0.00 C ATOM 179 CD1 TYR A 12 0.883 -10.496 0.718 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.895 -9.424 0.056 1.00 0.00 C ATOM 181 CE1 TYR A 12 1.617 -11.338 1.531 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.625 -10.261 0.865 1.00 0.00 C ATOM 183 CZ TYR A 12 2.985 -11.222 1.603 1.00 0.00 C ATOM 184 OH TYR A 12 3.715 -12.069 2.405 1.00 0.00 O ATOM 0 H TYR A 12 1.366 -8.007 1.467 1.00 0.00 H new ATOM 0 HA TYR A 12 0.071 -6.413 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.001 -9.099 -1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.450 -8.133 -1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.191 -10.595 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.405 -8.670 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.112 -12.093 2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.699 -10.162 0.919 1.00 0.00 H new ATOM 0 HH TYR A 12 4.667 -11.847 2.335 1.00 0.00 H new ATOM 194 N TYR A 13 -2.198 -6.622 0.062 1.00 0.00 N ATOM 195 CA TYR A 13 -3.675 -6.847 0.197 1.00 0.00 C ATOM 196 C TYR A 13 -4.256 -7.505 -1.094 1.00 0.00 C ATOM 197 O TYR A 13 -4.664 -6.823 -2.017 1.00 0.00 O ATOM 198 CB TYR A 13 -4.388 -5.483 0.469 1.00 0.00 C ATOM 199 CG TYR A 13 -5.334 -5.734 1.633 1.00 0.00 C ATOM 200 CD1 TYR A 13 -6.593 -6.257 1.410 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.919 -5.463 2.920 1.00 0.00 C ATOM 202 CE1 TYR A 13 -7.428 -6.509 2.478 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.761 -5.717 3.978 1.00 0.00 C ATOM 204 CZ TYR A 13 -7.011 -6.240 3.760 1.00 0.00 C ATOM 205 OH TYR A 13 -7.834 -6.496 4.832 1.00 0.00 O ATOM 0 H TYR A 13 -1.894 -5.649 0.013 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.851 -7.524 1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.664 -4.706 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.933 -5.144 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.922 -6.468 0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.936 -5.053 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.412 -6.919 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.436 -5.504 4.986 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.377 -6.246 5.662 1.00 0.00 H new ATOM 215 N ARG A 14 -4.218 -8.818 -1.108 1.00 0.00 N ATOM 216 CA ARG A 14 -4.737 -9.671 -2.254 1.00 0.00 C ATOM 217 C ARG A 14 -6.081 -9.155 -2.945 1.00 0.00 C ATOM 218 O ARG A 14 -7.105 -9.160 -2.294 1.00 0.00 O ATOM 219 CB ARG A 14 -4.930 -11.140 -1.682 1.00 0.00 C ATOM 220 CG ARG A 14 -3.579 -11.946 -1.461 1.00 0.00 C ATOM 221 CD ARG A 14 -3.148 -12.694 -2.753 1.00 0.00 C ATOM 222 NE ARG A 14 -1.818 -13.395 -2.501 1.00 0.00 N ATOM 223 CZ ARG A 14 -1.618 -14.639 -2.783 1.00 0.00 C ATOM 224 NH1 ARG A 14 -2.218 -15.111 -3.798 1.00 0.00 N ATOM 225 NH2 ARG A 14 -0.846 -15.351 -2.061 1.00 0.00 N ATOM 0 H ARG A 14 -3.832 -9.367 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.003 -9.623 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.461 -11.079 -0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.565 -11.702 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.790 -11.259 -1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.709 -12.663 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.908 -13.421 -3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.052 -11.991 -3.581 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.053 -12.858 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.829 -14.512 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.089 -16.089 -4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.380 -14.939 -1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.694 -16.333 -2.292 1.00 0.00 H new ATOM 239 N PRO A 15 -6.046 -8.738 -4.202 1.00 0.00 N ATOM 240 CA PRO A 15 -7.228 -8.539 -5.119 1.00 0.00 C ATOM 241 C PRO A 15 -7.584 -9.809 -5.949 1.00 0.00 C ATOM 242 O PRO A 15 -8.725 -10.233 -6.036 1.00 0.00 O ATOM 243 CB PRO A 15 -6.786 -7.302 -5.975 1.00 0.00 C ATOM 244 CG PRO A 15 -5.241 -7.285 -5.918 1.00 0.00 C ATOM 245 CD PRO A 15 -4.791 -8.348 -4.883 1.00 0.00 C ATOM 0 HA PRO A 15 -8.165 -8.362 -4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.139 -7.390 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.203 -6.379 -5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.821 -7.506 -6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.881 -6.297 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.318 -9.202 -5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.066 -7.939 -4.180 1.00 0.00 H new ATOM 253 N ALA A 16 -6.571 -10.383 -6.551 1.00 0.00 N ATOM 254 CA ALA A 16 -6.712 -11.628 -7.391 1.00 0.00 C ATOM 255 C ALA A 16 -7.832 -12.572 -6.884 1.00 0.00 C ATOM 256 O ALA A 16 -8.710 -12.982 -7.618 1.00 0.00 O ATOM 257 CB ALA A 16 -5.343 -12.305 -7.368 1.00 0.00 C ATOM 0 H ALA A 16 -5.615 -10.031 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.014 -11.372 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.379 -13.218 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.596 -11.630 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.076 -12.551 -6.340 1.00 0.00 H new ATOM 263 N GLN A 17 -7.703 -12.850 -5.615 1.00 0.00 N ATOM 264 CA GLN A 17 -8.623 -13.727 -4.827 1.00 0.00 C ATOM 265 C GLN A 17 -10.013 -13.962 -5.417 1.00 0.00 C ATOM 266 O GLN A 17 -10.411 -15.076 -5.682 1.00 0.00 O ATOM 267 CB GLN A 17 -8.725 -13.089 -3.415 1.00 0.00 C ATOM 268 CG GLN A 17 -9.767 -13.867 -2.544 1.00 0.00 C ATOM 269 CD GLN A 17 -9.661 -13.527 -1.058 1.00 0.00 C ATOM 270 OE1 GLN A 17 -10.333 -14.086 -0.225 1.00 0.00 O ATOM 271 NE2 GLN A 17 -8.850 -12.633 -0.612 1.00 0.00 N ATOM 0 H GLN A 17 -6.939 -12.475 -5.053 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.195 -14.729 -4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.749 -13.106 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.020 -12.043 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.773 -13.636 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.620 -14.939 -2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.251 -12.120 -1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.806 -12.437 0.388 1.00 0.00 H new ATOM 280 N ASN A 18 -10.698 -12.872 -5.599 1.00 0.00 N ATOM 281 CA ASN A 18 -12.084 -12.920 -6.155 1.00 0.00 C ATOM 282 C ASN A 18 -12.227 -12.022 -7.401 1.00 0.00 C ATOM 283 O ASN A 18 -13.071 -11.155 -7.451 1.00 0.00 O ATOM 284 CB ASN A 18 -12.942 -12.508 -4.946 1.00 0.00 C ATOM 285 CG ASN A 18 -14.407 -12.917 -5.068 1.00 0.00 C ATOM 286 OD1 ASN A 18 -14.755 -13.883 -5.704 1.00 0.00 O ATOM 287 ND2 ASN A 18 -15.322 -12.229 -4.466 1.00 0.00 N ATOM 0 H ASN A 18 -10.356 -11.935 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.390 -13.892 -6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.523 -12.955 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.885 -11.427 -4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.300 -12.509 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -15.065 -11.407 -3.920 1.00 0.00 H new ATOM 294 N ASN A 19 -11.371 -12.243 -8.370 1.00 0.00 N ATOM 295 CA ASN A 19 -11.372 -11.460 -9.657 1.00 0.00 C ATOM 296 C ASN A 19 -11.492 -9.925 -9.424 1.00 0.00 C ATOM 297 O ASN A 19 -12.129 -9.184 -10.145 1.00 0.00 O ATOM 298 CB ASN A 19 -12.548 -12.015 -10.488 1.00 0.00 C ATOM 299 CG ASN A 19 -12.381 -11.601 -11.935 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.151 -10.857 -12.497 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.372 -12.060 -12.604 1.00 0.00 N ATOM 0 H ASN A 19 -10.645 -12.958 -8.324 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.425 -11.580 -10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.581 -13.102 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.493 -11.639 -10.097 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.243 -11.792 -13.580 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.706 -12.689 -12.155 1.00 0.00 H new ATOM 308 N TRP A 20 -10.811 -9.547 -8.374 1.00 0.00 N ATOM 309 CA TRP A 20 -10.721 -8.130 -7.879 1.00 0.00 C ATOM 310 C TRP A 20 -12.093 -7.555 -7.470 1.00 0.00 C ATOM 311 O TRP A 20 -12.294 -6.355 -7.474 1.00 0.00 O ATOM 312 CB TRP A 20 -10.011 -7.246 -9.011 1.00 0.00 C ATOM 313 CG TRP A 20 -8.494 -7.583 -9.116 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.044 -8.808 -8.834 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.438 -6.830 -9.521 1.00 0.00 C ATOM 316 NE1 TRP A 20 -6.744 -8.750 -9.092 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.292 -7.595 -9.508 1.00 0.00 C ATOM 318 CE3 TRP A 20 -7.309 -5.519 -9.873 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.057 -7.086 -9.838 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -6.081 -5.004 -10.201 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.939 -5.767 -10.193 1.00 0.00 C ATOM 0 H TRP A 20 -10.279 -10.203 -7.802 1.00 0.00 H new ATOM 0 HA TRP A 20 -10.123 -8.109 -6.968 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.494 -7.424 -9.972 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.137 -6.188 -8.782 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -8.611 -9.655 -8.476 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -6.133 -9.558 -8.973 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -8.180 -4.881 -9.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.185 -7.722 -9.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.009 -3.962 -10.475 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.982 -5.343 -10.457 1.00 0.00 H new ATOM 332 N ASP A 21 -13.034 -8.392 -7.107 1.00 0.00 N ATOM 333 CA ASP A 21 -14.338 -7.828 -6.702 1.00 0.00 C ATOM 334 C ASP A 21 -14.231 -7.468 -5.211 1.00 0.00 C ATOM 335 O ASP A 21 -14.865 -7.993 -4.315 1.00 0.00 O ATOM 336 CB ASP A 21 -15.452 -8.868 -6.941 1.00 0.00 C ATOM 337 CG ASP A 21 -16.758 -8.181 -6.544 1.00 0.00 C ATOM 338 OD1 ASP A 21 -16.969 -7.115 -7.100 1.00 0.00 O ATOM 339 OD2 ASP A 21 -17.444 -8.754 -5.712 1.00 0.00 O ATOM 0 H ASP A 21 -12.953 -9.408 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.586 -6.941 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.477 -9.181 -7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.285 -9.764 -6.343 1.00 0.00 H new ATOM 344 N LEU A 22 -13.356 -6.531 -4.954 1.00 0.00 N ATOM 345 CA LEU A 22 -13.138 -6.060 -3.574 1.00 0.00 C ATOM 346 C LEU A 22 -14.511 -5.735 -2.947 1.00 0.00 C ATOM 347 O LEU A 22 -14.666 -5.740 -1.745 1.00 0.00 O ATOM 348 CB LEU A 22 -12.242 -4.882 -3.710 1.00 0.00 C ATOM 349 CG LEU A 22 -10.855 -5.277 -4.350 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.253 -3.914 -4.615 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.977 -5.900 -3.269 1.00 0.00 C ATOM 0 H LEU A 22 -12.780 -6.072 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.674 -6.790 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.726 -4.126 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.077 -4.435 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.940 -5.951 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.269 -4.033 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.899 -3.356 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.157 -3.370 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.014 -6.178 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.822 -5.179 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.467 -6.788 -2.870 1.00 0.00 H new ATOM 363 N GLY A 23 -15.481 -5.449 -3.793 1.00 0.00 N ATOM 364 CA GLY A 23 -16.884 -5.120 -3.345 1.00 0.00 C ATOM 365 C GLY A 23 -17.553 -6.333 -2.660 1.00 0.00 C ATOM 366 O GLY A 23 -18.686 -6.261 -2.230 1.00 0.00 O ATOM 0 H GLY A 23 -15.355 -5.429 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.859 -4.277 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.479 -4.811 -4.204 1.00 0.00 H new ATOM 370 N ALA A 24 -16.828 -7.416 -2.585 1.00 0.00 N ATOM 371 CA ALA A 24 -17.288 -8.682 -1.960 1.00 0.00 C ATOM 372 C ALA A 24 -17.165 -8.555 -0.417 1.00 0.00 C ATOM 373 O ALA A 24 -16.100 -8.238 0.084 1.00 0.00 O ATOM 374 CB ALA A 24 -16.386 -9.815 -2.498 1.00 0.00 C ATOM 0 H ALA A 24 -15.879 -7.471 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 24 -18.329 -8.897 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.694 -10.764 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.478 -9.869 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.349 -9.612 -2.231 1.00 0.00 H new ATOM 380 N PRO A 25 -18.249 -8.812 0.295 1.00 0.00 N ATOM 381 CA PRO A 25 -18.392 -8.488 1.752 1.00 0.00 C ATOM 382 C PRO A 25 -17.071 -8.549 2.550 1.00 0.00 C ATOM 383 O PRO A 25 -16.555 -7.557 3.020 1.00 0.00 O ATOM 384 CB PRO A 25 -19.464 -9.505 2.263 1.00 0.00 C ATOM 385 CG PRO A 25 -19.863 -10.358 1.009 1.00 0.00 C ATOM 386 CD PRO A 25 -19.488 -9.485 -0.199 1.00 0.00 C ATOM 0 HA PRO A 25 -18.695 -7.451 1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -19.060 -10.136 3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.329 -8.988 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.329 -11.308 0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -20.928 -10.591 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -19.303 -10.080 -1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -20.272 -8.770 -0.448 1.00 0.00 H new ATOM 394 N ALA A 26 -16.592 -9.761 2.646 1.00 0.00 N ATOM 395 CA ALA A 26 -15.328 -10.149 3.360 1.00 0.00 C ATOM 396 C ALA A 26 -14.126 -9.197 3.220 1.00 0.00 C ATOM 397 O ALA A 26 -13.268 -9.108 4.078 1.00 0.00 O ATOM 398 CB ALA A 26 -14.963 -11.563 2.853 1.00 0.00 C ATOM 0 H ALA A 26 -17.064 -10.561 2.225 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.538 -10.103 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.048 -11.899 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.773 -12.254 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.811 -11.535 1.774 1.00 0.00 H new ATOM 404 N VAL A 27 -14.161 -8.526 2.107 1.00 0.00 N ATOM 405 CA VAL A 27 -13.102 -7.546 1.727 1.00 0.00 C ATOM 406 C VAL A 27 -13.544 -6.090 1.870 1.00 0.00 C ATOM 407 O VAL A 27 -13.010 -5.323 2.644 1.00 0.00 O ATOM 408 CB VAL A 27 -12.709 -7.748 0.251 1.00 0.00 C ATOM 409 CG1 VAL A 27 -11.396 -7.014 0.013 1.00 0.00 C ATOM 410 CG2 VAL A 27 -12.516 -9.243 -0.110 1.00 0.00 C ATOM 0 H VAL A 27 -14.907 -8.618 1.418 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.271 -7.730 2.408 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.514 -7.361 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.092 -7.140 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.528 -5.953 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.627 -7.423 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.240 -9.331 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.726 -9.668 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.446 -9.783 0.067 1.00 0.00 H new ATOM 420 N SER A 28 -14.526 -5.818 1.055 1.00 0.00 N ATOM 421 CA SER A 28 -15.169 -4.475 0.946 1.00 0.00 C ATOM 422 C SER A 28 -14.243 -3.260 1.249 1.00 0.00 C ATOM 423 O SER A 28 -14.571 -2.411 2.051 1.00 0.00 O ATOM 424 CB SER A 28 -16.416 -4.484 1.890 1.00 0.00 C ATOM 425 OG SER A 28 -15.906 -4.924 3.146 1.00 0.00 O ATOM 0 H SER A 28 -14.930 -6.512 0.426 1.00 0.00 H new ATOM 0 HA SER A 28 -15.442 -4.325 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.863 -3.493 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.191 -5.155 1.519 1.00 0.00 H new ATOM 0 HG SER A 28 -15.956 -5.901 3.195 1.00 0.00 H new ATOM 431 N ALA A 29 -13.105 -3.160 0.609 1.00 0.00 N ATOM 432 CA ALA A 29 -12.168 -2.000 0.884 1.00 0.00 C ATOM 433 C ALA A 29 -12.675 -0.566 0.495 1.00 0.00 C ATOM 434 O ALA A 29 -13.671 -0.436 -0.190 1.00 0.00 O ATOM 435 CB ALA A 29 -10.870 -2.352 0.169 1.00 0.00 C ATOM 0 H ALA A 29 -12.775 -3.823 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.061 -1.901 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.142 -1.556 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.476 -3.287 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.062 -2.466 -0.898 1.00 0.00 H new ATOM 441 N TYR A 30 -11.956 0.466 0.921 1.00 0.00 N ATOM 442 CA TYR A 30 -12.346 1.897 0.633 1.00 0.00 C ATOM 443 C TYR A 30 -13.117 2.205 -0.628 1.00 0.00 C ATOM 444 O TYR A 30 -14.219 2.712 -0.579 1.00 0.00 O ATOM 445 CB TYR A 30 -11.072 2.810 0.645 1.00 0.00 C ATOM 446 CG TYR A 30 -11.246 3.877 1.747 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.301 4.775 1.646 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.392 3.979 2.824 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.495 5.747 2.607 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.593 4.957 3.787 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.646 5.842 3.683 1.00 0.00 C ATOM 452 OH TYR A 30 -11.849 6.808 4.644 1.00 0.00 O ATOM 0 H TYR A 30 -11.099 0.370 1.466 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.053 2.100 1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.180 2.213 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.938 3.286 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.977 4.712 0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.562 3.294 2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.320 6.438 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.918 5.026 4.627 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.158 6.733 5.335 1.00 0.00 H new ATOM 462 N CYS A 31 -12.499 1.873 -1.718 1.00 0.00 N ATOM 463 CA CYS A 31 -13.162 2.132 -3.009 1.00 0.00 C ATOM 464 C CYS A 31 -13.702 0.843 -3.615 1.00 0.00 C ATOM 465 O CYS A 31 -14.216 0.860 -4.708 1.00 0.00 O ATOM 466 CB CYS A 31 -12.074 2.897 -3.801 1.00 0.00 C ATOM 467 SG CYS A 31 -11.805 4.476 -2.953 1.00 0.00 S ATOM 0 H CYS A 31 -11.577 1.440 -1.769 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.071 2.733 -2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.150 2.320 -3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.392 3.062 -4.830 1.00 0.00 H new ATOM 472 N ALA A 32 -13.604 -0.266 -2.914 1.00 0.00 N ATOM 473 CA ALA A 32 -14.130 -1.583 -3.430 1.00 0.00 C ATOM 474 C ALA A 32 -15.494 -1.287 -4.108 1.00 0.00 C ATOM 475 O ALA A 32 -15.737 -1.527 -5.271 1.00 0.00 O ATOM 476 CB ALA A 32 -14.282 -2.495 -2.220 1.00 0.00 C ATOM 0 H ALA A 32 -13.175 -0.318 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.476 -2.065 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.661 -3.465 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.313 -2.626 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.981 -2.048 -1.513 1.00 0.00 H new ATOM 482 N THR A 33 -16.319 -0.748 -3.253 1.00 0.00 N ATOM 483 CA THR A 33 -17.723 -0.309 -3.526 1.00 0.00 C ATOM 484 C THR A 33 -17.963 0.411 -4.862 1.00 0.00 C ATOM 485 O THR A 33 -18.935 0.186 -5.554 1.00 0.00 O ATOM 486 CB THR A 33 -18.122 0.614 -2.375 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.730 -0.127 -1.235 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.625 0.718 -2.184 1.00 0.00 C ATOM 0 H THR A 33 -16.046 -0.580 -2.285 1.00 0.00 H new ATOM 0 HA THR A 33 -18.328 -1.213 -3.603 1.00 0.00 H new ATOM 0 HB THR A 33 -17.699 1.605 -2.542 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.942 0.382 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.840 1.388 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.081 1.110 -3.093 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.034 -0.270 -1.970 1.00 0.00 H new ATOM 496 N TRP A 34 -17.035 1.269 -5.176 1.00 0.00 N ATOM 497 CA TRP A 34 -17.106 2.079 -6.429 1.00 0.00 C ATOM 498 C TRP A 34 -16.236 1.574 -7.605 1.00 0.00 C ATOM 499 O TRP A 34 -16.581 1.761 -8.758 1.00 0.00 O ATOM 500 CB TRP A 34 -16.772 3.518 -5.897 1.00 0.00 C ATOM 501 CG TRP A 34 -17.917 3.951 -4.942 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.255 3.912 -5.235 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.769 4.412 -3.680 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.819 4.349 -4.124 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.004 4.674 -3.133 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.630 4.638 -2.935 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.104 5.158 -1.844 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.717 5.125 -1.637 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.963 5.384 -1.092 1.00 0.00 C ATOM 0 H TRP A 34 -16.209 1.449 -4.605 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.077 2.022 -6.922 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.817 3.519 -5.372 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.681 4.220 -6.726 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.732 3.600 -6.152 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.832 4.432 -4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.661 4.434 -3.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.076 5.361 -1.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.822 5.300 -1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.045 5.761 -0.083 1.00 0.00 H new ATOM 520 N ASP A 35 -15.151 0.935 -7.301 1.00 0.00 N ATOM 521 CA ASP A 35 -14.182 0.378 -8.289 1.00 0.00 C ATOM 522 C ASP A 35 -14.418 -1.092 -8.724 1.00 0.00 C ATOM 523 O ASP A 35 -14.366 -1.421 -9.897 1.00 0.00 O ATOM 524 CB ASP A 35 -12.850 0.549 -7.619 1.00 0.00 C ATOM 525 CG ASP A 35 -12.492 1.994 -7.269 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.368 2.806 -7.008 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.292 2.187 -7.285 1.00 0.00 O ATOM 0 H ASP A 35 -14.874 0.762 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.280 0.905 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.839 -0.045 -6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.076 0.145 -8.271 1.00 0.00 H new ATOM 532 N ALA A 36 -14.674 -1.919 -7.740 1.00 0.00 N ATOM 533 CA ALA A 36 -14.928 -3.391 -7.940 1.00 0.00 C ATOM 534 C ALA A 36 -16.003 -3.673 -9.000 1.00 0.00 C ATOM 535 O ALA A 36 -16.211 -4.789 -9.423 1.00 0.00 O ATOM 536 CB ALA A 36 -15.351 -3.999 -6.593 1.00 0.00 C ATOM 0 H ALA A 36 -14.720 -1.626 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.007 -3.845 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.539 -5.065 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.555 -3.854 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.259 -3.509 -6.242 1.00 0.00 H new ATOM 542 N SER A 37 -16.663 -2.629 -9.383 1.00 0.00 N ATOM 543 CA SER A 37 -17.745 -2.662 -10.405 1.00 0.00 C ATOM 544 C SER A 37 -17.156 -2.438 -11.806 1.00 0.00 C ATOM 545 O SER A 37 -17.629 -3.009 -12.768 1.00 0.00 O ATOM 546 CB SER A 37 -18.736 -1.557 -10.091 1.00 0.00 C ATOM 547 OG SER A 37 -17.917 -0.389 -10.216 1.00 0.00 O ATOM 0 H SER A 37 -16.488 -1.696 -9.009 1.00 0.00 H new ATOM 0 HA SER A 37 -18.240 -3.633 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.573 -1.547 -10.789 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.157 -1.657 -9.091 1.00 0.00 H new ATOM 0 HG SER A 37 -17.761 -0.002 -9.329 1.00 0.00 H new ATOM 553 N LYS A 38 -16.137 -1.613 -11.912 1.00 0.00 N ATOM 554 CA LYS A 38 -15.521 -1.343 -13.255 1.00 0.00 C ATOM 555 C LYS A 38 -15.076 -2.595 -14.024 1.00 0.00 C ATOM 556 O LYS A 38 -14.638 -3.561 -13.435 1.00 0.00 O ATOM 557 CB LYS A 38 -14.288 -0.416 -13.086 1.00 0.00 C ATOM 558 CG LYS A 38 -14.753 1.043 -12.974 1.00 0.00 C ATOM 559 CD LYS A 38 -13.492 1.914 -12.725 1.00 0.00 C ATOM 560 CE LYS A 38 -13.730 3.375 -13.134 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.969 3.858 -12.446 1.00 0.00 N ATOM 0 H LYS A 38 -15.707 -1.117 -11.131 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.311 -0.877 -13.843 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.727 -0.699 -12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.615 -0.530 -13.936 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.261 1.355 -13.886 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.466 1.157 -12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.220 1.870 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.651 1.509 -13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.876 3.992 -12.855 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.841 3.454 -14.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.013 4.896 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.805 3.452 -12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.950 3.562 -11.449 1.00 0.00 H new ATOM 575 N PRO A 39 -15.174 -2.564 -15.331 1.00 0.00 N ATOM 576 CA PRO A 39 -14.749 -3.714 -16.182 1.00 0.00 C ATOM 577 C PRO A 39 -13.307 -4.253 -15.955 1.00 0.00 C ATOM 578 O PRO A 39 -12.337 -3.529 -15.796 1.00 0.00 O ATOM 579 CB PRO A 39 -15.002 -3.187 -17.615 1.00 0.00 C ATOM 580 CG PRO A 39 -14.878 -1.645 -17.439 1.00 0.00 C ATOM 581 CD PRO A 39 -15.684 -1.431 -16.160 1.00 0.00 C ATOM 0 HA PRO A 39 -15.312 -4.614 -15.935 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.270 -3.574 -18.324 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.986 -3.475 -17.984 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.842 -1.324 -17.332 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.295 -1.099 -18.285 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.489 -0.461 -15.703 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.759 -1.492 -16.331 1.00 0.00 H new ATOM 589 N LEU A 40 -13.234 -5.562 -15.957 1.00 0.00 N ATOM 590 CA LEU A 40 -11.963 -6.307 -15.767 1.00 0.00 C ATOM 591 C LEU A 40 -10.738 -5.678 -16.441 1.00 0.00 C ATOM 592 O LEU A 40 -9.694 -5.565 -15.830 1.00 0.00 O ATOM 593 CB LEU A 40 -12.246 -7.727 -16.276 1.00 0.00 C ATOM 594 CG LEU A 40 -12.616 -8.643 -15.103 1.00 0.00 C ATOM 595 CD1 LEU A 40 -13.106 -9.992 -15.669 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.326 -8.910 -14.298 1.00 0.00 C ATOM 0 H LEU A 40 -14.046 -6.165 -16.089 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.681 -6.291 -14.714 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.059 -7.706 -17.002 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.369 -8.119 -16.791 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.387 -8.186 -14.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.373 -10.656 -14.847 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.979 -9.826 -16.300 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.312 -10.448 -16.260 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.552 -9.560 -13.453 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.590 -9.393 -14.940 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.924 -7.966 -13.931 1.00 0.00 H new ATOM 608 N SER A 41 -10.885 -5.284 -17.683 1.00 0.00 N ATOM 609 CA SER A 41 -9.755 -4.651 -18.439 1.00 0.00 C ATOM 610 C SER A 41 -9.062 -3.573 -17.580 1.00 0.00 C ATOM 611 O SER A 41 -8.000 -3.804 -17.034 1.00 0.00 O ATOM 612 CB SER A 41 -10.346 -4.051 -19.739 1.00 0.00 C ATOM 613 OG SER A 41 -10.844 -5.185 -20.443 1.00 0.00 O ATOM 0 H SER A 41 -11.752 -5.375 -18.213 1.00 0.00 H new ATOM 0 HA SER A 41 -8.992 -5.390 -18.685 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.139 -3.334 -19.524 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.587 -3.523 -20.317 1.00 0.00 H new ATOM 0 HG SER A 41 -11.243 -4.895 -21.290 1.00 0.00 H new ATOM 619 N TRP A 42 -9.694 -2.429 -17.460 1.00 0.00 N ATOM 620 CA TRP A 42 -9.123 -1.300 -16.652 1.00 0.00 C ATOM 621 C TRP A 42 -8.660 -1.753 -15.246 1.00 0.00 C ATOM 622 O TRP A 42 -7.567 -1.414 -14.808 1.00 0.00 O ATOM 623 CB TRP A 42 -10.199 -0.219 -16.527 1.00 0.00 C ATOM 624 CG TRP A 42 -9.560 1.117 -16.095 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.896 1.928 -16.958 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.551 1.693 -14.867 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.529 2.938 -16.206 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.874 2.895 -14.939 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.071 1.294 -13.653 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.724 3.683 -13.830 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.924 2.084 -12.528 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.246 3.283 -12.622 1.00 0.00 C ATOM 0 H TRP A 42 -10.595 -2.226 -17.894 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.238 -0.918 -17.162 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.713 -0.094 -17.480 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.950 -0.525 -15.798 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.714 1.777 -18.012 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.999 3.722 -16.588 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.599 0.354 -13.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.194 4.621 -13.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.337 1.765 -11.582 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.126 3.906 -11.748 1.00 0.00 H new ATOM 643 N ARG A 43 -9.532 -2.499 -14.594 1.00 0.00 N ATOM 644 CA ARG A 43 -9.206 -3.006 -13.208 1.00 0.00 C ATOM 645 C ARG A 43 -7.869 -3.776 -13.166 1.00 0.00 C ATOM 646 O ARG A 43 -6.965 -3.314 -12.495 1.00 0.00 O ATOM 647 CB ARG A 43 -10.346 -3.953 -12.669 1.00 0.00 C ATOM 648 CG ARG A 43 -11.694 -3.191 -12.482 1.00 0.00 C ATOM 649 CD ARG A 43 -12.548 -3.738 -11.287 1.00 0.00 C ATOM 650 NE ARG A 43 -12.510 -5.252 -11.243 1.00 0.00 N ATOM 651 CZ ARG A 43 -13.523 -6.010 -11.452 1.00 0.00 C ATOM 652 NH1 ARG A 43 -14.606 -5.760 -10.874 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.400 -7.001 -12.224 1.00 0.00 N ATOM 0 H ARG A 43 -10.445 -2.777 -14.954 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.122 -2.123 -12.575 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.490 -4.780 -13.364 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.039 -4.386 -11.717 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.487 -2.133 -12.319 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.276 -3.264 -13.401 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.169 -3.333 -10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.579 -3.399 -11.387 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.618 -5.699 -11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.675 -4.960 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.418 -6.356 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.503 -7.190 -12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.197 -7.613 -12.400 1.00 0.00 H new ATOM 667 N SER A 44 -7.789 -4.883 -13.873 1.00 0.00 N ATOM 668 CA SER A 44 -6.539 -5.742 -13.928 1.00 0.00 C ATOM 669 C SER A 44 -5.348 -4.909 -14.496 1.00 0.00 C ATOM 670 O SER A 44 -4.255 -4.972 -13.976 1.00 0.00 O ATOM 671 CB SER A 44 -6.772 -6.945 -14.855 1.00 0.00 C ATOM 672 OG SER A 44 -7.121 -6.340 -16.099 1.00 0.00 O ATOM 0 H SER A 44 -8.560 -5.244 -14.435 1.00 0.00 H new ATOM 0 HA SER A 44 -6.309 -6.085 -12.919 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.878 -7.562 -14.945 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.569 -7.590 -14.484 1.00 0.00 H new ATOM 0 HG SER A 44 -8.073 -6.108 -16.094 1.00 0.00 H new ATOM 678 N LYS A 45 -5.609 -4.176 -15.557 1.00 0.00 N ATOM 679 CA LYS A 45 -4.610 -3.296 -16.254 1.00 0.00 C ATOM 680 C LYS A 45 -3.623 -2.526 -15.363 1.00 0.00 C ATOM 681 O LYS A 45 -2.426 -2.667 -15.520 1.00 0.00 O ATOM 682 CB LYS A 45 -5.438 -2.332 -17.153 1.00 0.00 C ATOM 683 CG LYS A 45 -4.542 -1.259 -17.809 1.00 0.00 C ATOM 684 CD LYS A 45 -5.485 -0.297 -18.622 1.00 0.00 C ATOM 685 CE LYS A 45 -4.773 1.009 -19.067 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.798 1.965 -19.588 1.00 0.00 N ATOM 0 H LYS A 45 -6.531 -4.153 -15.992 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.939 -3.943 -16.818 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.949 -2.904 -17.928 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.209 -1.847 -16.554 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.988 -0.705 -17.051 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.806 -1.722 -18.466 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.858 -0.820 -19.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.351 -0.043 -18.011 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.237 1.451 -18.227 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.034 0.792 -19.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.324 2.810 -19.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.347 1.508 -20.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.437 2.244 -18.816 1.00 0.00 H new ATOM 700 N TYR A 46 -4.120 -1.709 -14.458 1.00 0.00 N ATOM 701 CA TYR A 46 -3.155 -0.925 -13.543 1.00 0.00 C ATOM 702 C TYR A 46 -2.861 -1.628 -12.163 1.00 0.00 C ATOM 703 O TYR A 46 -3.173 -2.788 -11.990 1.00 0.00 O ATOM 704 CB TYR A 46 -3.764 0.542 -13.315 1.00 0.00 C ATOM 705 CG TYR A 46 -2.888 1.704 -13.891 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.590 1.918 -13.468 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.392 2.558 -14.859 1.00 0.00 C ATOM 708 CE1 TYR A 46 -0.832 2.937 -13.992 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.625 3.591 -15.384 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.330 3.776 -14.947 1.00 0.00 C ATOM 711 OH TYR A 46 -0.501 4.765 -15.432 1.00 0.00 O ATOM 0 H TYR A 46 -5.113 -1.540 -14.299 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.189 -0.878 -14.045 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.752 0.587 -13.773 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.901 0.703 -12.246 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.164 1.274 -12.713 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.403 2.418 -15.213 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.180 3.077 -13.641 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.042 4.248 -16.133 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.979 5.291 -16.107 1.00 0.00 H new ATOM 721 N GLY A 47 -2.276 -0.931 -11.209 1.00 0.00 N ATOM 722 CA GLY A 47 -1.962 -1.592 -9.869 1.00 0.00 C ATOM 723 C GLY A 47 -2.835 -1.321 -8.616 1.00 0.00 C ATOM 724 O GLY A 47 -2.531 -1.906 -7.591 1.00 0.00 O ATOM 0 H GLY A 47 -2.003 0.049 -11.286 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.970 -2.669 -10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.939 -1.317 -9.610 1.00 0.00 H new ATOM 728 N TRP A 48 -3.854 -0.469 -8.783 1.00 0.00 N ATOM 729 CA TRP A 48 -4.879 -0.010 -7.735 1.00 0.00 C ATOM 730 C TRP A 48 -4.391 -0.559 -6.477 1.00 0.00 C ATOM 731 O TRP A 48 -4.909 -1.423 -5.824 1.00 0.00 O ATOM 732 CB TRP A 48 -6.326 -0.521 -8.108 1.00 0.00 C ATOM 733 CG TRP A 48 -6.555 -1.998 -7.849 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.565 -2.926 -7.665 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.786 -2.559 -7.770 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.293 -4.024 -7.502 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.601 -3.889 -7.541 1.00 0.00 C ATOM 738 CE3 TRP A 48 -9.090 -2.080 -7.844 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -8.635 -4.746 -7.378 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -10.160 -2.946 -7.679 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.906 -4.278 -7.443 1.00 0.00 C ATOM 0 H TRP A 48 -4.028 -0.036 -9.690 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.972 1.074 -7.675 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.058 0.053 -7.540 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.510 -0.317 -9.163 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.492 -2.800 -7.655 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.857 -4.934 -7.353 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.269 -1.031 -8.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.450 -5.795 -7.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.175 -2.582 -7.735 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.732 -4.961 -7.308 1.00 0.00 H new ATOM 752 N THR A 49 -3.345 0.054 -6.099 1.00 0.00 N ATOM 753 CA THR A 49 -2.755 -0.456 -4.883 1.00 0.00 C ATOM 754 C THR A 49 -3.418 -0.008 -3.615 1.00 0.00 C ATOM 755 O THR A 49 -4.012 1.065 -3.517 1.00 0.00 O ATOM 756 CB THR A 49 -1.241 -0.028 -4.957 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.093 0.990 -5.969 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.350 -1.120 -5.541 1.00 0.00 C ATOM 0 H THR A 49 -2.890 0.847 -6.552 1.00 0.00 H new ATOM 0 HA THR A 49 -2.884 -1.537 -4.833 1.00 0.00 H new ATOM 0 HB THR A 49 -0.971 0.249 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.612 1.757 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.682 -0.771 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.415 -2.013 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.680 -1.357 -6.552 1.00 0.00 H new ATOM 766 N ALA A 50 -3.348 -0.902 -2.646 1.00 0.00 N ATOM 767 CA ALA A 50 -3.974 -0.379 -1.385 1.00 0.00 C ATOM 768 C ALA A 50 -2.741 0.455 -1.001 1.00 0.00 C ATOM 769 O ALA A 50 -1.717 0.337 -1.667 1.00 0.00 O ATOM 770 CB ALA A 50 -4.181 -1.446 -0.278 1.00 0.00 C ATOM 0 H ALA A 50 -2.946 -1.839 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.961 0.070 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.638 -0.980 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.833 -2.236 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.218 -1.873 0.001 1.00 0.00 H new ATOM 776 N PHE A 51 -2.876 1.269 0.000 1.00 0.00 N ATOM 777 CA PHE A 51 -1.699 2.070 0.376 1.00 0.00 C ATOM 778 C PHE A 51 -1.589 2.448 1.862 1.00 0.00 C ATOM 779 O PHE A 51 -2.520 3.028 2.377 1.00 0.00 O ATOM 780 CB PHE A 51 -1.750 3.326 -0.539 1.00 0.00 C ATOM 781 CG PHE A 51 -0.950 3.163 -1.849 1.00 0.00 C ATOM 782 CD1 PHE A 51 0.402 2.890 -1.826 1.00 0.00 C ATOM 783 CD2 PHE A 51 -1.568 3.300 -3.078 1.00 0.00 C ATOM 784 CE1 PHE A 51 1.123 2.759 -3.000 1.00 0.00 C ATOM 785 CE2 PHE A 51 -0.852 3.169 -4.254 1.00 0.00 C ATOM 786 CZ PHE A 51 0.498 2.899 -4.218 1.00 0.00 C ATOM 0 H PHE A 51 -3.720 1.410 0.555 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.802 1.469 0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.789 3.548 -0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.362 4.183 0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.906 2.777 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.626 3.513 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.181 2.546 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.353 3.279 -5.204 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.060 2.798 -5.135 1.00 0.00 H new ATOM 796 N CYS A 52 -0.507 2.123 2.522 1.00 0.00 N ATOM 797 CA CYS A 52 -0.406 2.521 3.978 1.00 0.00 C ATOM 798 C CYS A 52 0.226 3.946 3.907 1.00 0.00 C ATOM 799 O CYS A 52 -0.372 4.959 4.208 1.00 0.00 O ATOM 800 CB CYS A 52 0.532 1.517 4.720 1.00 0.00 C ATOM 801 SG CYS A 52 0.297 -0.277 4.604 1.00 0.00 S ATOM 0 H CYS A 52 0.292 1.616 2.141 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.354 2.514 4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.547 1.724 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.492 1.772 5.779 1.00 0.00 H new ATOM 806 N GLY A 53 1.455 3.995 3.468 1.00 0.00 N ATOM 807 CA GLY A 53 2.223 5.291 3.332 1.00 0.00 C ATOM 808 C GLY A 53 3.692 5.160 3.754 1.00 0.00 C ATOM 809 O GLY A 53 4.457 4.674 2.947 1.00 0.00 O ATOM 0 H GLY A 53 1.984 3.170 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.176 5.629 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.742 6.058 3.939 1.00 0.00 H new ATOM 813 N PRO A 54 4.101 5.564 4.938 1.00 0.00 N ATOM 814 CA PRO A 54 3.318 6.307 5.977 1.00 0.00 C ATOM 815 C PRO A 54 3.283 7.841 5.738 1.00 0.00 C ATOM 816 O PRO A 54 2.372 8.526 6.163 1.00 0.00 O ATOM 817 CB PRO A 54 4.005 5.879 7.282 1.00 0.00 C ATOM 818 CG PRO A 54 5.496 5.669 6.894 1.00 0.00 C ATOM 819 CD PRO A 54 5.493 5.271 5.396 1.00 0.00 C ATOM 0 HA PRO A 54 2.255 6.068 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.900 6.642 8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.566 4.963 7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.073 6.579 7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.952 4.890 7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.227 5.845 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.742 4.218 5.264 1.00 0.00 H new ATOM 827 N ALA A 55 4.257 8.370 5.045 1.00 0.00 N ATOM 828 CA ALA A 55 4.296 9.852 4.766 1.00 0.00 C ATOM 829 C ALA A 55 3.435 10.135 3.493 1.00 0.00 C ATOM 830 O ALA A 55 3.864 10.684 2.485 1.00 0.00 O ATOM 831 CB ALA A 55 5.796 10.241 4.578 1.00 0.00 C ATOM 0 H ALA A 55 5.037 7.842 4.654 1.00 0.00 H new ATOM 0 HA ALA A 55 3.880 10.449 5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.872 11.309 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.350 10.005 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.215 9.681 3.742 1.00 0.00 H new ATOM 837 N GLY A 56 2.203 9.701 3.622 1.00 0.00 N ATOM 838 CA GLY A 56 1.174 9.849 2.532 1.00 0.00 C ATOM 839 C GLY A 56 -0.278 10.065 2.995 1.00 0.00 C ATOM 840 O GLY A 56 -1.090 9.176 2.806 1.00 0.00 O ATOM 0 H GLY A 56 1.855 9.236 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.461 10.690 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.206 8.956 1.907 1.00 0.00 H new ATOM 844 N PRO A 57 -0.624 11.203 3.558 1.00 0.00 N ATOM 845 CA PRO A 57 -1.982 11.312 4.148 1.00 0.00 C ATOM 846 C PRO A 57 -3.053 11.258 3.029 1.00 0.00 C ATOM 847 O PRO A 57 -3.339 12.214 2.336 1.00 0.00 O ATOM 848 CB PRO A 57 -1.957 12.646 4.948 1.00 0.00 C ATOM 849 CG PRO A 57 -0.534 13.260 4.775 1.00 0.00 C ATOM 850 CD PRO A 57 0.194 12.441 3.686 1.00 0.00 C ATOM 0 HA PRO A 57 -2.245 10.489 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.719 13.331 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.174 12.467 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.601 14.309 4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.017 13.223 5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.243 12.986 2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.220 12.213 3.977 1.00 0.00 H new ATOM 858 N ARG A 58 -3.616 10.082 2.894 1.00 0.00 N ATOM 859 CA ARG A 58 -4.672 9.807 1.876 1.00 0.00 C ATOM 860 C ARG A 58 -5.619 8.620 2.237 1.00 0.00 C ATOM 861 O ARG A 58 -5.258 7.702 2.951 1.00 0.00 O ATOM 862 CB ARG A 58 -3.888 9.602 0.536 1.00 0.00 C ATOM 863 CG ARG A 58 -4.110 8.229 -0.189 1.00 0.00 C ATOM 864 CD ARG A 58 -3.380 7.028 0.467 1.00 0.00 C ATOM 865 NE ARG A 58 -1.893 7.226 0.299 1.00 0.00 N ATOM 866 CZ ARG A 58 -1.053 6.582 1.030 1.00 0.00 C ATOM 867 NH1 ARG A 58 -1.198 6.717 2.283 1.00 0.00 N ATOM 868 NH2 ARG A 58 -0.155 5.862 0.460 1.00 0.00 N ATOM 0 H ARG A 58 -3.376 9.275 3.470 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.377 10.636 1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.166 10.402 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.823 9.714 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.179 8.016 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.776 8.320 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.637 6.959 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.693 6.093 0.002 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.549 7.880 -0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.945 7.307 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.568 6.235 2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.116 5.807 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.519 5.345 1.025 1.00 0.00 H new ATOM 882 N GLY A 59 -6.807 8.683 1.694 1.00 0.00 N ATOM 883 CA GLY A 59 -7.869 7.639 1.916 1.00 0.00 C ATOM 884 C GLY A 59 -9.203 8.150 1.383 1.00 0.00 C ATOM 885 O GLY A 59 -9.926 7.429 0.726 1.00 0.00 O ATOM 0 H GLY A 59 -7.101 9.443 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.594 6.713 1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.953 7.411 2.978 1.00 0.00 H new ATOM 889 N GLN A 60 -9.471 9.397 1.682 1.00 0.00 N ATOM 890 CA GLN A 60 -10.748 10.061 1.230 1.00 0.00 C ATOM 891 C GLN A 60 -10.665 10.659 -0.218 1.00 0.00 C ATOM 892 O GLN A 60 -10.978 10.016 -1.205 1.00 0.00 O ATOM 893 CB GLN A 60 -11.085 11.200 2.271 1.00 0.00 C ATOM 894 CG GLN A 60 -11.512 10.650 3.677 1.00 0.00 C ATOM 895 CD GLN A 60 -11.680 11.803 4.689 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.391 12.758 4.471 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.053 11.779 5.822 1.00 0.00 N ATOM 0 H GLN A 60 -8.854 9.998 2.228 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.532 9.305 1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.213 11.843 2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.887 11.821 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.448 10.099 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.762 9.947 4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.442 10.995 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.170 12.545 6.486 1.00 0.00 H new ATOM 906 N ALA A 61 -10.204 11.881 -0.346 1.00 0.00 N ATOM 907 CA ALA A 61 -10.107 12.534 -1.703 1.00 0.00 C ATOM 908 C ALA A 61 -8.799 12.143 -2.446 1.00 0.00 C ATOM 909 O ALA A 61 -8.021 12.911 -2.992 1.00 0.00 O ATOM 910 CB ALA A 61 -10.230 14.053 -1.437 1.00 0.00 C ATOM 0 H ALA A 61 -9.888 12.461 0.431 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.897 12.197 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.168 14.594 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.188 14.263 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.421 14.374 -0.781 1.00 0.00 H new ATOM 916 N ALA A 62 -8.667 10.846 -2.400 1.00 0.00 N ATOM 917 CA ALA A 62 -7.554 10.046 -2.990 1.00 0.00 C ATOM 918 C ALA A 62 -8.133 8.977 -3.951 1.00 0.00 C ATOM 919 O ALA A 62 -7.472 8.595 -4.895 1.00 0.00 O ATOM 920 CB ALA A 62 -6.796 9.405 -1.822 1.00 0.00 C ATOM 0 H ALA A 62 -9.355 10.258 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.875 10.667 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.970 8.808 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.405 10.186 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.473 8.765 -1.257 1.00 0.00 H new ATOM 926 N CYS A 63 -9.337 8.537 -3.668 1.00 0.00 N ATOM 927 CA CYS A 63 -10.054 7.501 -4.494 1.00 0.00 C ATOM 928 C CYS A 63 -10.144 8.022 -5.956 1.00 0.00 C ATOM 929 O CYS A 63 -11.156 8.524 -6.396 1.00 0.00 O ATOM 930 CB CYS A 63 -11.422 7.323 -3.799 1.00 0.00 C ATOM 931 SG CYS A 63 -12.518 5.928 -4.163 1.00 0.00 S ATOM 0 H CYS A 63 -9.876 8.865 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.556 6.534 -4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.227 7.296 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.994 8.230 -3.997 1.00 0.00 H new ATOM 936 N GLY A 64 -9.069 7.877 -6.683 1.00 0.00 N ATOM 937 CA GLY A 64 -9.026 8.359 -8.117 1.00 0.00 C ATOM 938 C GLY A 64 -7.640 8.881 -8.523 1.00 0.00 C ATOM 939 O GLY A 64 -7.375 9.109 -9.687 1.00 0.00 O ATOM 0 H GLY A 64 -8.207 7.444 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.311 7.542 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.763 9.151 -8.253 1.00 0.00 H new ATOM 943 N LYS A 65 -6.790 9.054 -7.550 1.00 0.00 N ATOM 944 CA LYS A 65 -5.412 9.552 -7.844 1.00 0.00 C ATOM 945 C LYS A 65 -4.503 8.343 -7.890 1.00 0.00 C ATOM 946 O LYS A 65 -4.889 7.230 -7.596 1.00 0.00 O ATOM 947 CB LYS A 65 -4.912 10.465 -6.737 1.00 0.00 C ATOM 948 CG LYS A 65 -5.732 11.733 -6.747 1.00 0.00 C ATOM 949 CD LYS A 65 -5.193 12.592 -5.610 1.00 0.00 C ATOM 950 CE LYS A 65 -5.988 13.852 -5.574 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.510 14.608 -4.387 1.00 0.00 N ATOM 0 H LYS A 65 -6.986 8.873 -6.566 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.420 10.108 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.996 9.968 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.857 10.696 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.641 12.249 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.790 11.514 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.273 12.063 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.137 12.811 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.845 14.429 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.054 13.638 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.034 15.503 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.666 14.042 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.495 14.809 -4.489 1.00 0.00 H new ATOM 965 N CYS A 66 -3.285 8.581 -8.259 1.00 0.00 N ATOM 966 CA CYS A 66 -2.284 7.492 -8.347 1.00 0.00 C ATOM 967 C CYS A 66 -1.008 7.823 -7.529 1.00 0.00 C ATOM 968 O CYS A 66 -0.841 8.870 -6.921 1.00 0.00 O ATOM 969 CB CYS A 66 -2.081 7.330 -9.862 1.00 0.00 C ATOM 970 SG CYS A 66 -3.533 6.626 -10.685 1.00 0.00 S ATOM 0 H CYS A 66 -2.932 9.505 -8.509 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.596 6.548 -7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.854 8.302 -10.301 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.218 6.689 -10.043 1.00 0.00 H new ATOM 975 N LEU A 67 -0.110 6.878 -7.523 1.00 0.00 N ATOM 976 CA LEU A 67 1.182 7.049 -6.781 1.00 0.00 C ATOM 977 C LEU A 67 2.274 6.634 -7.777 1.00 0.00 C ATOM 978 O LEU A 67 2.126 5.650 -8.490 1.00 0.00 O ATOM 979 CB LEU A 67 1.163 6.131 -5.507 1.00 0.00 C ATOM 980 CG LEU A 67 1.460 6.956 -4.203 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.263 6.025 -2.999 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.922 7.394 -4.136 1.00 0.00 C ATOM 0 H LEU A 67 -0.212 5.984 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 67 1.353 8.067 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.190 5.647 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.904 5.339 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 67 0.802 7.825 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.463 6.573 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.237 5.658 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.949 5.181 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.090 7.962 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.566 6.515 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.155 8.019 -4.999 1.00 0.00 H new ATOM 994 N ARG A 68 3.339 7.393 -7.813 1.00 0.00 N ATOM 995 CA ARG A 68 4.424 7.024 -8.764 1.00 0.00 C ATOM 996 C ARG A 68 5.651 6.540 -7.984 1.00 0.00 C ATOM 997 O ARG A 68 5.988 7.110 -6.961 1.00 0.00 O ATOM 998 CB ARG A 68 4.772 8.258 -9.613 1.00 0.00 C ATOM 999 CG ARG A 68 5.817 7.820 -10.640 1.00 0.00 C ATOM 1000 CD ARG A 68 6.153 8.938 -11.593 1.00 0.00 C ATOM 1001 NE ARG A 68 7.028 8.278 -12.616 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.206 8.670 -12.888 1.00 0.00 C ATOM 1003 NH1 ARG A 68 9.175 8.454 -12.090 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.326 9.267 -13.993 1.00 0.00 N ATOM 0 H ARG A 68 3.501 8.225 -7.245 1.00 0.00 H new ATOM 0 HA ARG A 68 4.096 6.217 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.883 8.646 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.162 9.059 -8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.721 7.494 -10.125 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.443 6.963 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.257 9.362 -12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.671 9.753 -11.088 1.00 0.00 H new ATOM 0 HE ARG A 68 6.658 7.472 -13.120 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.013 7.958 -11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.113 8.777 -12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.511 9.402 -14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.238 9.614 -14.288 1.00 0.00 H new ATOM 1018 N VAL A 69 6.276 5.512 -8.506 1.00 0.00 N ATOM 1019 CA VAL A 69 7.490 4.932 -7.857 1.00 0.00 C ATOM 1020 C VAL A 69 8.655 4.845 -8.847 1.00 0.00 C ATOM 1021 O VAL A 69 8.514 4.567 -10.031 1.00 0.00 O ATOM 1022 CB VAL A 69 7.203 3.519 -7.334 1.00 0.00 C ATOM 1023 CG1 VAL A 69 8.445 2.978 -6.554 1.00 0.00 C ATOM 1024 CG2 VAL A 69 6.003 3.591 -6.390 1.00 0.00 C ATOM 0 H VAL A 69 5.991 5.045 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 69 7.757 5.591 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 69 6.992 2.850 -8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.234 1.974 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.307 2.946 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.661 3.636 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.782 2.595 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.233 4.257 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.137 3.972 -6.931 1.00 0.00 H new ATOM 1034 N THR A 70 9.771 5.099 -8.216 1.00 0.00 N ATOM 1035 CA THR A 70 11.097 5.096 -8.890 1.00 0.00 C ATOM 1036 C THR A 70 12.117 4.297 -8.032 1.00 0.00 C ATOM 1037 O THR A 70 12.048 4.339 -6.812 1.00 0.00 O ATOM 1038 CB THR A 70 11.541 6.539 -9.032 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.482 7.243 -9.707 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.785 6.570 -9.939 1.00 0.00 C ATOM 0 H THR A 70 9.815 5.317 -7.220 1.00 0.00 H new ATOM 0 HA THR A 70 11.035 4.623 -9.870 1.00 0.00 H new ATOM 0 HB THR A 70 11.763 6.984 -8.062 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.733 8.184 -9.816 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.124 7.599 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.579 5.976 -9.487 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.533 6.157 -10.916 1.00 0.00 H new ATOM 1048 N ASN A 71 13.021 3.608 -8.688 1.00 0.00 N ATOM 1049 CA ASN A 71 14.091 2.776 -8.013 1.00 0.00 C ATOM 1050 C ASN A 71 15.533 3.416 -7.989 1.00 0.00 C ATOM 1051 O ASN A 71 16.210 3.368 -9.005 1.00 0.00 O ATOM 1052 CB ASN A 71 14.060 1.428 -8.775 1.00 0.00 C ATOM 1053 CG ASN A 71 15.179 0.453 -8.355 1.00 0.00 C ATOM 1054 OD1 ASN A 71 16.063 0.780 -7.596 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.233 -0.757 -8.799 1.00 0.00 N ATOM 0 H ASN A 71 13.068 3.583 -9.707 1.00 0.00 H new ATOM 0 HA ASN A 71 13.875 2.678 -6.949 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.094 0.950 -8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.142 1.623 -9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.990 -1.374 -8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.518 -1.096 -9.443 1.00 0.00 H new ATOM 1062 N PRO A 72 15.989 3.978 -6.882 1.00 0.00 N ATOM 1063 CA PRO A 72 17.276 4.746 -6.878 1.00 0.00 C ATOM 1064 C PRO A 72 18.509 3.955 -7.396 1.00 0.00 C ATOM 1065 O PRO A 72 19.554 4.535 -7.639 1.00 0.00 O ATOM 1066 CB PRO A 72 17.469 5.217 -5.416 1.00 0.00 C ATOM 1067 CG PRO A 72 16.251 4.698 -4.588 1.00 0.00 C ATOM 1068 CD PRO A 72 15.320 3.916 -5.549 1.00 0.00 C ATOM 0 HA PRO A 72 17.207 5.576 -7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.402 4.828 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.529 6.304 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.588 4.054 -3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.716 5.532 -4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.192 2.885 -5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.327 4.364 -5.586 1.00 0.00 H new ATOM 1076 N ALA A 73 18.350 2.661 -7.552 1.00 0.00 N ATOM 1077 CA ALA A 73 19.465 1.805 -8.036 1.00 0.00 C ATOM 1078 C ALA A 73 19.561 1.797 -9.580 1.00 0.00 C ATOM 1079 O ALA A 73 20.631 2.036 -10.102 1.00 0.00 O ATOM 1080 CB ALA A 73 19.203 0.398 -7.471 1.00 0.00 C ATOM 0 H ALA A 73 17.481 2.162 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 73 20.426 2.190 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.994 -0.278 -7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.186 0.441 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.243 0.033 -7.835 1.00 0.00 H new ATOM 1086 N THR A 74 18.485 1.543 -10.283 1.00 0.00 N ATOM 1087 CA THR A 74 18.598 1.535 -11.792 1.00 0.00 C ATOM 1088 C THR A 74 17.936 2.728 -12.483 1.00 0.00 C ATOM 1089 O THR A 74 18.118 2.915 -13.673 1.00 0.00 O ATOM 1090 CB THR A 74 17.973 0.216 -12.386 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.592 0.214 -12.045 1.00 0.00 O ATOM 1092 CG2 THR A 74 18.441 -1.032 -11.635 1.00 0.00 C ATOM 0 H THR A 74 17.559 1.346 -9.903 1.00 0.00 H new ATOM 0 HA THR A 74 19.668 1.596 -11.991 1.00 0.00 H new ATOM 0 HB THR A 74 18.230 0.197 -13.445 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.168 -0.595 -12.401 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.985 -1.917 -12.079 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.526 -1.111 -11.702 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.146 -0.959 -10.588 1.00 0.00 H new ATOM 1100 N GLY A 75 17.178 3.518 -11.759 1.00 0.00 N ATOM 1101 CA GLY A 75 16.500 4.713 -12.390 1.00 0.00 C ATOM 1102 C GLY A 75 15.044 4.347 -12.666 1.00 0.00 C ATOM 1103 O GLY A 75 14.133 5.153 -12.562 1.00 0.00 O ATOM 0 H GLY A 75 16.996 3.394 -10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.555 5.576 -11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.004 4.991 -13.316 1.00 0.00 H new ATOM 1107 N ALA A 76 14.952 3.095 -13.038 1.00 0.00 N ATOM 1108 CA ALA A 76 13.671 2.408 -13.382 1.00 0.00 C ATOM 1109 C ALA A 76 12.474 2.954 -12.576 1.00 0.00 C ATOM 1110 O ALA A 76 12.491 3.053 -11.360 1.00 0.00 O ATOM 1111 CB ALA A 76 13.888 0.897 -13.134 1.00 0.00 C ATOM 0 H ALA A 76 15.767 2.487 -13.121 1.00 0.00 H new ATOM 0 HA ALA A 76 13.417 2.595 -14.425 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.974 0.354 -13.373 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.700 0.537 -13.766 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.144 0.733 -12.087 1.00 0.00 H new ATOM 1117 N GLN A 77 11.454 3.306 -13.301 1.00 0.00 N ATOM 1118 CA GLN A 77 10.224 3.855 -12.670 1.00 0.00 C ATOM 1119 C GLN A 77 8.962 3.353 -13.358 1.00 0.00 C ATOM 1120 O GLN A 77 8.954 2.991 -14.519 1.00 0.00 O ATOM 1121 CB GLN A 77 10.352 5.384 -12.719 1.00 0.00 C ATOM 1122 CG GLN A 77 10.626 5.899 -14.166 1.00 0.00 C ATOM 1123 CD GLN A 77 11.177 7.315 -14.076 1.00 0.00 C ATOM 1124 OE1 GLN A 77 10.572 8.296 -14.449 1.00 0.00 O ATOM 1125 NE2 GLN A 77 12.346 7.498 -13.568 1.00 0.00 N ATOM 0 H GLN A 77 11.419 3.236 -14.318 1.00 0.00 H new ATOM 0 HA GLN A 77 10.131 3.517 -11.638 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.436 5.837 -12.340 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.161 5.702 -12.061 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.338 5.247 -14.672 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.708 5.886 -14.753 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.891 6.700 -13.241 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.727 8.441 -13.493 1.00 0.00 H new ATOM 1134 N ILE A 78 7.919 3.354 -12.582 1.00 0.00 N ATOM 1135 CA ILE A 78 6.577 2.897 -13.050 1.00 0.00 C ATOM 1136 C ILE A 78 5.437 3.608 -12.257 1.00 0.00 C ATOM 1137 O ILE A 78 5.687 4.407 -11.366 1.00 0.00 O ATOM 1138 CB ILE A 78 6.681 1.391 -12.854 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.739 0.578 -13.771 1.00 0.00 C ATOM 1140 CG2 ILE A 78 6.445 1.032 -11.411 1.00 0.00 C ATOM 1141 CD1 ILE A 78 6.628 -0.204 -14.772 1.00 0.00 C ATOM 0 H ILE A 78 7.939 3.662 -11.610 1.00 0.00 H new ATOM 0 HA ILE A 78 6.321 3.144 -14.080 1.00 0.00 H new ATOM 0 HB ILE A 78 7.696 1.117 -13.142 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.128 -0.107 -13.183 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.054 1.240 -14.301 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.523 -0.048 -11.287 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.192 1.523 -10.787 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.450 1.361 -11.112 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.996 -0.792 -15.438 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.219 0.499 -15.359 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.295 -0.870 -14.224 1.00 0.00 H new ATOM 1153 N THR A 79 4.206 3.320 -12.582 1.00 0.00 N ATOM 1154 CA THR A 79 3.049 3.965 -11.854 1.00 0.00 C ATOM 1155 C THR A 79 2.001 2.953 -11.446 1.00 0.00 C ATOM 1156 O THR A 79 1.825 1.960 -12.126 1.00 0.00 O ATOM 1157 CB THR A 79 2.402 4.992 -12.761 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.437 5.961 -12.917 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.302 5.824 -12.101 1.00 0.00 C ATOM 0 H THR A 79 3.940 2.667 -13.319 1.00 0.00 H new ATOM 0 HA THR A 79 3.444 4.431 -10.951 1.00 0.00 H new ATOM 0 HB THR A 79 1.993 4.477 -13.630 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.123 6.685 -13.498 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.897 6.531 -12.825 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.506 5.165 -11.754 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.717 6.369 -11.254 1.00 0.00 H new ATOM 1167 N ALA A 80 1.347 3.247 -10.351 1.00 0.00 N ATOM 1168 CA ALA A 80 0.259 2.365 -9.790 1.00 0.00 C ATOM 1169 C ALA A 80 -1.026 3.211 -9.523 1.00 0.00 C ATOM 1170 O ALA A 80 -0.954 4.415 -9.655 1.00 0.00 O ATOM 1171 CB ALA A 80 0.804 1.751 -8.508 1.00 0.00 C ATOM 0 H ALA A 80 1.523 4.087 -9.800 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.020 1.577 -10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.048 1.102 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.696 1.167 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.059 2.544 -7.805 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.144 2.625 -9.149 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.379 3.474 -8.902 1.00 0.00 C ATOM 1179 C ARG A 81 -3.738 3.562 -7.399 1.00 0.00 C ATOM 1180 O ARG A 81 -3.526 2.547 -6.779 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.490 2.801 -9.718 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.402 3.256 -11.206 1.00 0.00 C ATOM 1183 CD ARG A 81 -5.714 2.931 -11.957 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.321 1.684 -11.350 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.514 0.612 -12.022 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -7.267 0.687 -13.032 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -5.946 -0.468 -11.644 1.00 0.00 N ATOM 0 H ARG A 81 -2.263 1.622 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.222 4.509 -9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.395 1.717 -9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.465 3.061 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.207 4.327 -11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.565 2.758 -11.695 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.410 3.766 -11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.515 2.777 -13.018 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.587 1.699 -10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.695 1.578 -13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.448 -0.143 -13.596 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.349 -0.468 -10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.090 -1.331 -12.169 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.227 4.636 -6.816 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.537 4.560 -5.331 1.00 0.00 C ATOM 1203 C ILE A 82 -5.997 4.084 -5.150 1.00 0.00 C ATOM 1204 O ILE A 82 -6.871 4.666 -5.761 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.361 5.960 -4.672 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.872 6.419 -4.826 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.709 5.834 -3.145 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.669 7.819 -4.193 1.00 0.00 C ATOM 0 H ILE A 82 -4.421 5.528 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.852 3.860 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.016 6.689 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.211 5.697 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.601 6.447 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.592 6.805 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.739 5.495 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.038 5.114 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.629 8.123 -4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.316 8.541 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.920 7.779 -3.133 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.248 3.070 -4.351 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.676 2.584 -4.157 1.00 0.00 C ATOM 1222 C VAL A 83 -8.028 2.306 -2.680 1.00 0.00 C ATOM 1223 O VAL A 83 -9.027 2.749 -2.130 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.848 1.293 -5.037 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.925 0.149 -4.574 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.285 0.764 -5.000 1.00 0.00 C ATOM 0 H VAL A 83 -5.541 2.556 -3.825 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.367 3.368 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.585 1.598 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.078 -0.722 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.886 0.470 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.158 -0.111 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.360 -0.129 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.555 0.516 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.964 1.528 -5.379 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.137 1.575 -2.064 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.360 1.219 -0.625 1.00 0.00 C ATOM 1238 C ASP A 84 -6.242 1.763 0.319 1.00 0.00 C ATOM 1239 O ASP A 84 -5.246 2.339 -0.076 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.473 -0.328 -0.632 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.638 -0.809 -1.498 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.643 -0.123 -1.474 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -8.465 -1.841 -2.117 1.00 0.00 O ATOM 0 H ASP A 84 -6.280 1.213 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.257 1.685 -0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.543 -0.759 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.606 -0.687 0.388 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.463 1.558 1.587 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.489 2.010 2.629 1.00 0.00 C ATOM 1250 C GLN A 85 -5.075 0.840 3.540 1.00 0.00 C ATOM 1251 O GLN A 85 -5.897 0.285 4.242 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.162 3.118 3.419 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.216 3.591 4.567 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.705 4.904 5.165 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -5.647 5.141 6.346 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.204 5.842 4.437 1.00 0.00 N ATOM 0 H GLN A 85 -7.290 1.089 1.955 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.573 2.379 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.399 3.955 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.105 2.761 3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.169 2.828 5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.204 3.716 4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.286 5.716 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.517 6.711 4.869 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.818 0.480 3.558 1.00 0.00 N ATOM 1266 CA CYS A 86 -3.398 -0.669 4.440 1.00 0.00 C ATOM 1267 C CYS A 86 -2.885 -0.270 5.850 1.00 0.00 C ATOM 1268 O CYS A 86 -2.844 0.897 6.182 1.00 0.00 O ATOM 1269 CB CYS A 86 -2.331 -1.447 3.658 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.884 -0.589 2.994 1.00 0.00 S ATOM 0 H CYS A 86 -3.072 0.916 3.016 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.279 -1.272 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.965 -2.240 4.311 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.833 -1.931 2.820 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.517 -1.248 6.647 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.013 -0.964 8.037 1.00 0.00 C ATOM 1277 C ALA A 87 -0.476 -1.012 8.269 1.00 0.00 C ATOM 1278 O ALA A 87 0.140 0.029 8.384 1.00 0.00 O ATOM 1279 CB ALA A 87 -2.743 -1.967 8.941 1.00 0.00 C ATOM 0 H ALA A 87 -2.543 -2.236 6.395 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.226 0.082 8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.427 -1.822 9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.819 -1.810 8.865 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.502 -2.982 8.627 1.00 0.00 H new ATOM 1285 N ASN A 88 0.105 -2.187 8.339 1.00 0.00 N ATOM 1286 CA ASN A 88 1.592 -2.306 8.563 1.00 0.00 C ATOM 1287 C ASN A 88 2.297 -3.225 7.534 1.00 0.00 C ATOM 1288 O ASN A 88 1.675 -3.823 6.679 1.00 0.00 O ATOM 1289 CB ASN A 88 1.813 -2.852 9.995 1.00 0.00 C ATOM 1290 CG ASN A 88 1.310 -4.292 10.108 1.00 0.00 C ATOM 1291 OD1 ASN A 88 0.836 -4.903 9.178 1.00 0.00 O ATOM 1292 ND2 ASN A 88 1.382 -4.912 11.237 1.00 0.00 N ATOM 0 H ASN A 88 -0.386 -3.077 8.251 1.00 0.00 H new ATOM 0 HA ASN A 88 2.034 -1.318 8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.873 -2.811 10.246 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.291 -2.222 10.715 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.047 -5.872 11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.774 -4.442 12.053 1.00 0.00 H new ATOM 1299 N GLY A 89 3.599 -3.310 7.651 1.00 0.00 N ATOM 1300 CA GLY A 89 4.424 -4.168 6.721 1.00 0.00 C ATOM 1301 C GLY A 89 4.795 -3.310 5.523 1.00 0.00 C ATOM 1302 O GLY A 89 5.299 -2.214 5.685 1.00 0.00 O ATOM 0 H GLY A 89 4.141 -2.816 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.319 -4.530 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.859 -5.045 6.405 1.00 0.00 H new ATOM 1306 N GLY A 90 4.527 -3.835 4.355 1.00 0.00 N ATOM 1307 CA GLY A 90 4.849 -3.040 3.106 1.00 0.00 C ATOM 1308 C GLY A 90 3.606 -2.185 2.900 1.00 0.00 C ATOM 1309 O GLY A 90 2.697 -2.337 3.684 1.00 0.00 O ATOM 0 H GLY A 90 4.111 -4.753 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.741 -2.427 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.034 -3.691 2.252 1.00 0.00 H new ATOM 1313 N LEU A 91 3.485 -1.358 1.900 1.00 0.00 N ATOM 1314 CA LEU A 91 2.225 -0.525 1.804 1.00 0.00 C ATOM 1315 C LEU A 91 1.178 -0.662 0.701 1.00 0.00 C ATOM 1316 O LEU A 91 0.864 0.345 0.103 1.00 0.00 O ATOM 1317 CB LEU A 91 2.756 0.962 1.871 1.00 0.00 C ATOM 1318 CG LEU A 91 3.819 1.204 0.727 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.805 2.667 0.261 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.247 0.938 1.258 1.00 0.00 C ATOM 0 H LEU A 91 4.172 -1.215 1.160 1.00 0.00 H new ATOM 0 HA LEU A 91 1.598 -0.916 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.926 1.659 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.207 1.153 2.845 1.00 0.00 H new ATOM 0 HG LEU A 91 3.560 0.532 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.546 2.805 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.816 2.917 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.043 3.319 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.970 1.108 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.458 1.612 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.321 -0.094 1.601 1.00 0.00 H new ATOM 1332 N ASP A 92 0.628 -1.816 0.459 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.382 -1.869 -0.655 1.00 0.00 C ATOM 1334 C ASP A 92 -1.377 -3.013 -0.851 1.00 0.00 C ATOM 1335 O ASP A 92 -1.600 -3.886 -0.026 1.00 0.00 O ATOM 1336 CB ASP A 92 0.462 -1.629 -2.019 1.00 0.00 C ATOM 1337 CG ASP A 92 1.964 -1.860 -1.831 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.329 -3.008 -1.625 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.640 -0.844 -1.892 1.00 0.00 O ATOM 0 H ASP A 92 0.814 -2.690 0.951 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.105 -1.113 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.090 -2.298 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.296 -0.611 -2.370 1.00 0.00 H new ATOM 1344 N LEU A 93 -2.013 -2.963 -2.021 1.00 0.00 N ATOM 1345 CA LEU A 93 -3.003 -3.987 -2.446 1.00 0.00 C ATOM 1346 C LEU A 93 -1.987 -4.977 -2.861 1.00 0.00 C ATOM 1347 O LEU A 93 -0.878 -4.707 -2.576 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.885 -3.615 -3.714 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.338 -4.001 -3.401 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.657 -3.116 -2.249 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.272 -3.562 -4.514 1.00 0.00 C ATOM 0 H LEU A 93 -1.867 -2.222 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.757 -4.226 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.811 -2.550 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.530 -4.147 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.448 -5.074 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.682 -3.296 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.974 -3.329 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.549 -2.074 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.294 -3.848 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.216 -2.480 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.977 -4.042 -5.447 1.00 0.00 H new ATOM 1363 N ASP A 94 -2.373 -5.937 -3.581 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.555 -7.125 -4.087 1.00 0.00 C ATOM 1365 C ASP A 94 0.022 -7.175 -3.928 1.00 0.00 C ATOM 1366 O ASP A 94 0.631 -6.595 -3.049 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.903 -7.292 -5.625 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.039 -6.334 -6.446 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.346 -5.160 -6.424 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -0.114 -6.879 -7.028 1.00 0.00 O ATOM 0 H ASP A 94 -3.340 -5.989 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.855 -7.927 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.726 -8.320 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.959 -7.084 -5.795 1.00 0.00 H new ATOM 1375 N TRP A 95 0.679 -7.910 -4.785 1.00 0.00 N ATOM 1376 CA TRP A 95 2.173 -8.015 -4.687 1.00 0.00 C ATOM 1377 C TRP A 95 2.749 -6.806 -5.385 1.00 0.00 C ATOM 1378 O TRP A 95 3.475 -6.957 -6.345 1.00 0.00 O ATOM 1379 CB TRP A 95 2.650 -9.289 -5.389 1.00 0.00 C ATOM 1380 CG TRP A 95 4.204 -9.480 -5.228 1.00 0.00 C ATOM 1381 CD1 TRP A 95 4.995 -8.881 -4.273 1.00 0.00 C ATOM 1382 CD2 TRP A 95 5.005 -10.265 -6.002 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.209 -9.341 -4.536 1.00 0.00 N ATOM 1384 CE2 TRP A 95 6.312 -10.176 -5.551 1.00 0.00 C ATOM 1385 CE3 TRP A 95 4.728 -11.080 -7.087 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 7.327 -10.879 -6.162 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 5.746 -11.788 -7.705 1.00 0.00 C ATOM 1388 CH2 TRP A 95 7.041 -11.687 -7.241 1.00 0.00 C ATOM 0 H TRP A 95 0.254 -8.441 -5.545 1.00 0.00 H new ATOM 0 HA TRP A 95 2.492 -8.055 -3.646 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.130 -10.152 -4.974 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.395 -9.241 -6.448 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.696 -8.197 -3.493 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.020 -9.064 -3.983 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.715 -11.164 -7.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.340 -10.797 -5.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.525 -12.420 -8.552 1.00 0.00 H new ATOM 0 HH2 TRP A 95 7.832 -12.242 -7.724 1.00 0.00 H new ATOM 1399 N ASP A 96 2.400 -5.658 -4.874 1.00 0.00 N ATOM 1400 CA ASP A 96 2.865 -4.375 -5.429 1.00 0.00 C ATOM 1401 C ASP A 96 3.432 -4.501 -6.834 1.00 0.00 C ATOM 1402 O ASP A 96 4.620 -4.527 -7.117 1.00 0.00 O ATOM 1403 CB ASP A 96 3.950 -3.729 -4.525 1.00 0.00 C ATOM 1404 CG ASP A 96 4.279 -2.364 -5.124 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.313 -1.683 -5.473 1.00 0.00 O ATOM 1406 OD2 ASP A 96 5.470 -2.117 -5.196 1.00 0.00 O ATOM 0 H ASP A 96 1.788 -5.564 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 96 1.977 -3.744 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.587 -3.624 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.840 -4.356 -4.484 1.00 0.00 H new ATOM 1411 N THR A 97 2.454 -4.641 -7.679 1.00 0.00 N ATOM 1412 CA THR A 97 2.699 -4.760 -9.152 1.00 0.00 C ATOM 1413 C THR A 97 3.943 -3.934 -9.550 1.00 0.00 C ATOM 1414 O THR A 97 4.639 -4.298 -10.468 1.00 0.00 O ATOM 1415 CB THR A 97 1.430 -4.270 -9.889 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.114 -3.027 -9.272 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.258 -5.150 -9.470 1.00 0.00 C ATOM 0 H THR A 97 1.471 -4.680 -7.411 1.00 0.00 H new ATOM 0 HA THR A 97 2.898 -5.795 -9.429 1.00 0.00 H new ATOM 0 HB THR A 97 1.585 -4.251 -10.968 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.979 -2.344 -9.962 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.646 -4.819 -9.980 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.467 -6.186 -9.737 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.114 -5.076 -8.392 1.00 0.00 H new ATOM 1425 N VAL A 98 4.170 -2.864 -8.825 1.00 0.00 N ATOM 1426 CA VAL A 98 5.304 -1.904 -8.996 1.00 0.00 C ATOM 1427 C VAL A 98 6.648 -2.578 -8.567 1.00 0.00 C ATOM 1428 O VAL A 98 7.579 -2.575 -9.340 1.00 0.00 O ATOM 1429 CB VAL A 98 5.012 -0.669 -8.100 1.00 0.00 C ATOM 1430 CG1 VAL A 98 6.078 0.391 -8.189 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.659 -0.015 -8.399 1.00 0.00 C ATOM 0 H VAL A 98 3.555 -2.601 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 98 5.398 -1.604 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 98 4.996 -1.077 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.815 1.227 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 98 7.034 -0.027 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.157 0.742 -9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.515 0.841 -7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.637 0.318 -9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.861 -0.738 -8.233 1.00 0.00 H new ATOM 1441 N PHE A 99 6.718 -3.119 -7.371 1.00 0.00 N ATOM 1442 CA PHE A 99 7.953 -3.805 -6.819 1.00 0.00 C ATOM 1443 C PHE A 99 8.467 -4.786 -7.881 1.00 0.00 C ATOM 1444 O PHE A 99 9.465 -4.570 -8.540 1.00 0.00 O ATOM 1445 CB PHE A 99 7.541 -4.553 -5.488 1.00 0.00 C ATOM 1446 CG PHE A 99 8.719 -5.010 -4.584 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.242 -4.127 -3.659 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.276 -6.276 -4.656 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.290 -4.492 -2.826 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.325 -6.645 -3.827 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.836 -5.755 -2.910 1.00 0.00 C ATOM 0 H PHE A 99 5.934 -3.116 -6.719 1.00 0.00 H new ATOM 0 HA PHE A 99 8.748 -3.096 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.895 -3.895 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.949 -5.429 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.827 -3.133 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.887 -6.988 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.679 -3.784 -2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.744 -7.638 -3.902 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.653 -6.042 -2.265 1.00 0.00 H new ATOM 1461 N THR A 100 7.704 -5.842 -8.024 1.00 0.00 N ATOM 1462 CA THR A 100 8.040 -6.933 -9.018 1.00 0.00 C ATOM 1463 C THR A 100 8.491 -6.344 -10.360 1.00 0.00 C ATOM 1464 O THR A 100 9.250 -6.962 -11.083 1.00 0.00 O ATOM 1465 CB THR A 100 6.790 -7.879 -9.257 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.315 -7.701 -10.584 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.578 -7.414 -8.491 1.00 0.00 C ATOM 0 H THR A 100 6.850 -6.005 -7.491 1.00 0.00 H new ATOM 0 HA THR A 100 8.859 -7.515 -8.596 1.00 0.00 H new ATOM 0 HB THR A 100 7.130 -8.880 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.543 -8.285 -10.736 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.745 -8.090 -8.683 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.802 -7.408 -7.424 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.310 -6.407 -8.811 1.00 0.00 H new ATOM 1475 N LYS A 101 8.019 -5.154 -10.645 1.00 0.00 N ATOM 1476 CA LYS A 101 8.381 -4.476 -11.925 1.00 0.00 C ATOM 1477 C LYS A 101 9.667 -3.595 -11.902 1.00 0.00 C ATOM 1478 O LYS A 101 10.529 -3.758 -12.737 1.00 0.00 O ATOM 1479 CB LYS A 101 7.201 -3.591 -12.368 1.00 0.00 C ATOM 1480 CG LYS A 101 6.029 -4.435 -12.862 1.00 0.00 C ATOM 1481 CD LYS A 101 4.857 -3.425 -13.097 1.00 0.00 C ATOM 1482 CE LYS A 101 3.531 -4.147 -13.312 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.654 -4.962 -14.554 1.00 0.00 N ATOM 0 H LYS A 101 7.394 -4.621 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 101 8.599 -5.289 -12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.877 -2.969 -11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.526 -2.917 -13.161 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.284 -4.961 -13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.754 -5.192 -12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.774 -2.757 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.079 -2.804 -13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.300 -4.784 -12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.716 -3.430 -13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.714 -5.303 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.056 -4.377 -15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.278 -5.775 -14.376 1.00 0.00 H new ATOM 1497 N ILE A 102 9.773 -2.691 -10.973 1.00 0.00 N ATOM 1498 CA ILE A 102 10.958 -1.776 -10.847 1.00 0.00 C ATOM 1499 C ILE A 102 12.145 -2.471 -10.194 1.00 0.00 C ATOM 1500 O ILE A 102 13.254 -1.978 -10.275 1.00 0.00 O ATOM 1501 CB ILE A 102 10.591 -0.526 -9.979 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.320 -0.988 -8.497 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.336 0.129 -10.565 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.879 0.174 -7.598 1.00 0.00 C ATOM 0 H ILE A 102 9.059 -2.537 -10.261 1.00 0.00 H new ATOM 0 HA ILE A 102 11.232 -1.476 -11.858 1.00 0.00 H new ATOM 0 HB ILE A 102 11.410 0.193 -9.983 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.550 -1.760 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.224 -1.438 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.069 1.002 -9.969 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.532 0.437 -11.592 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.513 -0.585 -10.551 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.704 -0.194 -6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.660 0.935 -7.577 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.959 0.608 -7.990 1.00 0.00 H new ATOM 1516 N ASP A 103 11.883 -3.583 -9.574 1.00 0.00 N ATOM 1517 CA ASP A 103 12.959 -4.353 -8.889 1.00 0.00 C ATOM 1518 C ASP A 103 13.844 -5.221 -9.798 1.00 0.00 C ATOM 1519 O ASP A 103 14.017 -6.408 -9.574 1.00 0.00 O ATOM 1520 CB ASP A 103 12.262 -5.227 -7.848 1.00 0.00 C ATOM 1521 CG ASP A 103 11.905 -4.514 -6.567 1.00 0.00 C ATOM 1522 OD1 ASP A 103 11.241 -3.497 -6.585 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.350 -5.084 -5.601 1.00 0.00 O ATOM 0 H ASP A 103 10.954 -4.000 -9.510 1.00 0.00 H new ATOM 0 HA ASP A 103 13.658 -3.634 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.352 -5.636 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.909 -6.072 -7.610 1.00 0.00 H new ATOM 1528 N THR A 104 14.401 -4.603 -10.808 1.00 0.00 N ATOM 1529 CA THR A 104 15.304 -5.339 -11.779 1.00 0.00 C ATOM 1530 C THR A 104 16.129 -6.426 -11.076 1.00 0.00 C ATOM 1531 O THR A 104 16.187 -7.564 -11.486 1.00 0.00 O ATOM 1532 CB THR A 104 16.272 -4.346 -12.441 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.719 -3.570 -11.336 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.515 -3.343 -13.297 1.00 0.00 C ATOM 0 H THR A 104 14.275 -3.612 -11.013 1.00 0.00 H new ATOM 0 HA THR A 104 14.665 -5.812 -12.525 1.00 0.00 H new ATOM 0 HB THR A 104 17.024 -4.863 -13.037 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.642 -3.815 -11.116 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.221 -2.650 -13.756 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.966 -3.871 -14.077 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.815 -2.788 -12.673 1.00 0.00 H new ATOM 1542 N ASN A 105 16.770 -6.001 -10.027 1.00 0.00 N ATOM 1543 CA ASN A 105 17.628 -6.902 -9.189 1.00 0.00 C ATOM 1544 C ASN A 105 17.187 -6.786 -7.696 1.00 0.00 C ATOM 1545 O ASN A 105 17.996 -6.644 -6.798 1.00 0.00 O ATOM 1546 CB ASN A 105 19.090 -6.451 -9.423 1.00 0.00 C ATOM 1547 CG ASN A 105 19.196 -4.965 -9.123 1.00 0.00 C ATOM 1548 OD1 ASN A 105 18.952 -4.105 -9.946 1.00 0.00 O ATOM 1549 ND2 ASN A 105 19.554 -4.637 -7.927 1.00 0.00 N ATOM 0 H ASN A 105 16.738 -5.036 -9.700 1.00 0.00 H new ATOM 0 HA ASN A 105 17.530 -7.954 -9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.767 -7.015 -8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.387 -6.651 -10.453 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.633 -3.653 -7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.758 -5.362 -7.239 1.00 0.00 H new ATOM 1556 N GLY A 106 15.901 -6.884 -7.488 1.00 0.00 N ATOM 1557 CA GLY A 106 15.292 -6.782 -6.119 1.00 0.00 C ATOM 1558 C GLY A 106 15.315 -8.072 -5.350 1.00 0.00 C ATOM 1559 O GLY A 106 14.326 -8.549 -4.830 1.00 0.00 O ATOM 0 H GLY A 106 15.221 -7.036 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.825 -6.020 -5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.260 -6.445 -6.214 1.00 0.00 H new ATOM 1563 N ILE A 107 16.495 -8.622 -5.283 1.00 0.00 N ATOM 1564 CA ILE A 107 16.728 -9.900 -4.556 1.00 0.00 C ATOM 1565 C ILE A 107 16.024 -9.810 -3.170 1.00 0.00 C ATOM 1566 O ILE A 107 15.635 -10.793 -2.568 1.00 0.00 O ATOM 1567 CB ILE A 107 18.251 -10.097 -4.429 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.044 -9.745 -5.740 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.507 -11.581 -4.068 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.325 -10.157 -7.058 1.00 0.00 C ATOM 0 H ILE A 107 17.330 -8.227 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 107 16.314 -10.759 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 107 18.610 -9.414 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.228 -8.671 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.017 -10.234 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.579 -11.752 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.015 -11.816 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.107 -12.221 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 107 18.942 -9.877 -7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 107 18.165 -11.235 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 107 17.364 -9.648 -7.123 1.00 0.00 H new ATOM 1582 N GLY A 108 15.903 -8.570 -2.732 1.00 0.00 N ATOM 1583 CA GLY A 108 15.250 -8.191 -1.437 1.00 0.00 C ATOM 1584 C GLY A 108 14.016 -9.061 -1.210 1.00 0.00 C ATOM 1585 O GLY A 108 13.701 -9.356 -0.078 1.00 0.00 O ATOM 0 H GLY A 108 16.252 -7.767 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.953 -8.317 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.967 -7.139 -1.456 1.00 0.00 H new ATOM 1589 N TYR A 109 13.354 -9.413 -2.291 1.00 0.00 N ATOM 1590 CA TYR A 109 12.126 -10.277 -2.249 1.00 0.00 C ATOM 1591 C TYR A 109 12.155 -11.363 -1.142 1.00 0.00 C ATOM 1592 O TYR A 109 11.117 -11.700 -0.608 1.00 0.00 O ATOM 1593 CB TYR A 109 11.953 -10.941 -3.653 1.00 0.00 C ATOM 1594 CG TYR A 109 10.755 -11.917 -3.617 1.00 0.00 C ATOM 1595 CD1 TYR A 109 9.466 -11.467 -3.378 1.00 0.00 C ATOM 1596 CD2 TYR A 109 10.954 -13.271 -3.813 1.00 0.00 C ATOM 1597 CE1 TYR A 109 8.404 -12.353 -3.335 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.885 -14.151 -3.769 1.00 0.00 C ATOM 1599 CZ TYR A 109 8.610 -13.696 -3.530 1.00 0.00 C ATOM 1600 OH TYR A 109 7.545 -14.569 -3.474 1.00 0.00 O ATOM 0 H TYR A 109 13.625 -9.127 -3.232 1.00 0.00 H new ATOM 0 HA TYR A 109 11.280 -9.636 -2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.790 -10.175 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.862 -11.475 -3.929 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.289 -10.413 -3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.949 -13.645 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.406 -11.985 -3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.055 -15.206 -3.924 1.00 0.00 H new ATOM 0 HH TYR A 109 7.862 -15.482 -3.635 1.00 0.00 H new ATOM 1610 N GLN A 110 13.316 -11.892 -0.831 1.00 0.00 N ATOM 1611 CA GLN A 110 13.396 -12.954 0.244 1.00 0.00 C ATOM 1612 C GLN A 110 14.209 -12.473 1.491 1.00 0.00 C ATOM 1613 O GLN A 110 14.849 -13.246 2.176 1.00 0.00 O ATOM 1614 CB GLN A 110 14.046 -14.185 -0.427 1.00 0.00 C ATOM 1615 CG GLN A 110 13.636 -15.491 0.302 1.00 0.00 C ATOM 1616 CD GLN A 110 12.170 -15.817 0.009 1.00 0.00 C ATOM 1617 OE1 GLN A 110 11.251 -15.291 0.593 1.00 0.00 O ATOM 1618 NE2 GLN A 110 11.881 -16.685 -0.902 1.00 0.00 N ATOM 0 H GLN A 110 14.205 -11.643 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 110 12.405 -13.191 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 110 13.743 -14.237 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 110 15.131 -14.081 -0.414 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.272 -16.314 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.784 -15.379 1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 110 12.628 -17.151 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.906 -16.905 -1.106 1.00 0.00 H new ATOM 1627 N GLN A 111 14.132 -11.193 1.734 1.00 0.00 N ATOM 1628 CA GLN A 111 14.829 -10.489 2.872 1.00 0.00 C ATOM 1629 C GLN A 111 13.859 -9.712 3.795 1.00 0.00 C ATOM 1630 O GLN A 111 13.764 -9.972 4.977 1.00 0.00 O ATOM 1631 CB GLN A 111 15.861 -9.530 2.240 1.00 0.00 C ATOM 1632 CG GLN A 111 16.575 -8.693 3.341 1.00 0.00 C ATOM 1633 CD GLN A 111 17.345 -7.527 2.734 1.00 0.00 C ATOM 1634 OE1 GLN A 111 16.810 -6.680 2.054 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.613 -7.402 2.935 1.00 0.00 N ATOM 0 H GLN A 111 13.579 -10.561 1.155 1.00 0.00 H new ATOM 0 HA GLN A 111 15.304 -11.231 3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.597 -10.101 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.363 -8.864 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.838 -8.316 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.258 -9.331 3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 111 19.110 -8.090 3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.119 -6.615 2.528 1.00 0.00 H new ATOM 1644 N GLY A 112 13.173 -8.757 3.221 1.00 0.00 N ATOM 1645 CA GLY A 112 12.194 -7.934 4.008 1.00 0.00 C ATOM 1646 C GLY A 112 11.958 -6.552 3.423 1.00 0.00 C ATOM 1647 O GLY A 112 10.828 -6.225 3.132 1.00 0.00 O ATOM 0 H GLY A 112 13.247 -8.507 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.244 -8.465 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.558 -7.830 5.030 1.00 0.00 H new ATOM 1651 N HIS A 113 12.992 -5.770 3.252 1.00 0.00 N ATOM 1652 CA HIS A 113 12.780 -4.381 2.672 1.00 0.00 C ATOM 1653 C HIS A 113 13.720 -3.942 1.529 1.00 0.00 C ATOM 1654 O HIS A 113 14.817 -4.419 1.337 1.00 0.00 O ATOM 1655 CB HIS A 113 12.879 -3.312 3.830 1.00 0.00 C ATOM 1656 CG HIS A 113 14.221 -3.352 4.553 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.381 -3.789 5.753 1.00 0.00 N ATOM 1658 CD2 HIS A 113 15.487 -2.968 4.160 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.627 -3.692 6.096 1.00 0.00 C ATOM 1660 NE2 HIS A 113 16.352 -3.184 5.130 1.00 0.00 N ATOM 0 H HIS A 113 13.957 -6.011 3.478 1.00 0.00 H new ATOM 0 HA HIS A 113 11.792 -4.439 2.216 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.724 -2.316 3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.078 -3.485 4.549 1.00 0.00 H new ATOM 0 HD1 HIS A 113 13.637 -4.157 6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 113 15.733 -2.550 3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.018 -3.992 7.057 1.00 0.00 H new ATOM 1668 N LEU A 114 13.243 -3.008 0.766 1.00 0.00 N ATOM 1669 CA LEU A 114 13.974 -2.422 -0.391 1.00 0.00 C ATOM 1670 C LEU A 114 13.990 -0.909 -0.127 1.00 0.00 C ATOM 1671 O LEU A 114 13.219 -0.413 0.677 1.00 0.00 O ATOM 1672 CB LEU A 114 13.184 -2.736 -1.663 1.00 0.00 C ATOM 1673 CG LEU A 114 13.948 -2.374 -2.965 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.006 -3.446 -3.257 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.931 -2.391 -4.100 1.00 0.00 C ATOM 0 H LEU A 114 12.318 -2.601 0.906 1.00 0.00 H new ATOM 0 HA LEU A 114 14.984 -2.813 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.939 -3.798 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.240 -2.191 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 114 14.432 -1.402 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.541 -3.190 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.710 -3.498 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.519 -4.413 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.428 -2.141 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.489 -3.384 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.148 -1.660 -3.898 1.00 0.00 H new ATOM 1687 N ASN A 115 14.851 -0.197 -0.796 1.00 0.00 N ATOM 1688 CA ASN A 115 14.917 1.280 -0.602 1.00 0.00 C ATOM 1689 C ASN A 115 14.477 1.861 -1.965 1.00 0.00 C ATOM 1690 O ASN A 115 15.137 1.732 -2.983 1.00 0.00 O ATOM 1691 CB ASN A 115 16.364 1.635 -0.202 1.00 0.00 C ATOM 1692 CG ASN A 115 16.491 3.154 -0.086 1.00 0.00 C ATOM 1693 OD1 ASN A 115 16.504 3.856 -1.066 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.581 3.749 1.057 1.00 0.00 N ATOM 0 H ASN A 115 15.515 -0.574 -1.472 1.00 0.00 H new ATOM 0 HA ASN A 115 14.280 1.682 0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.619 1.163 0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.064 1.255 -0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.658 4.765 1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.575 3.203 1.918 1.00 0.00 H new ATOM 1701 N VAL A 116 13.322 2.468 -1.899 1.00 0.00 N ATOM 1702 CA VAL A 116 12.677 3.111 -3.099 1.00 0.00 C ATOM 1703 C VAL A 116 12.213 4.551 -2.788 1.00 0.00 C ATOM 1704 O VAL A 116 12.304 4.988 -1.654 1.00 0.00 O ATOM 1705 CB VAL A 116 11.438 2.256 -3.539 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.792 0.752 -3.604 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.289 2.426 -2.502 1.00 0.00 C ATOM 0 H VAL A 116 12.777 2.551 -1.041 1.00 0.00 H new ATOM 0 HA VAL A 116 13.416 3.155 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 116 11.131 2.603 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.914 0.184 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.595 0.598 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.118 0.412 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.430 1.831 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.630 2.090 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.002 3.476 -2.446 1.00 0.00 H new ATOM 1717 N ASN A 117 11.729 5.235 -3.803 1.00 0.00 N ATOM 1718 CA ASN A 117 11.221 6.647 -3.649 1.00 0.00 C ATOM 1719 C ASN A 117 9.774 6.701 -4.215 1.00 0.00 C ATOM 1720 O ASN A 117 9.517 6.008 -5.188 1.00 0.00 O ATOM 1721 CB ASN A 117 12.142 7.607 -4.445 1.00 0.00 C ATOM 1722 CG ASN A 117 13.563 7.550 -3.910 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.812 7.527 -2.738 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.575 7.538 -4.703 1.00 0.00 N ATOM 0 H ASN A 117 11.662 4.868 -4.752 1.00 0.00 H new ATOM 0 HA ASN A 117 11.221 6.949 -2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.134 7.336 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.762 8.626 -4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.521 7.510 -4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.432 7.556 -5.713 1.00 0.00 H new ATOM 1731 N TYR A 118 8.891 7.497 -3.643 1.00 0.00 N ATOM 1732 CA TYR A 118 7.483 7.563 -4.175 1.00 0.00 C ATOM 1733 C TYR A 118 6.901 8.984 -4.088 1.00 0.00 C ATOM 1734 O TYR A 118 7.126 9.692 -3.121 1.00 0.00 O ATOM 1735 CB TYR A 118 6.554 6.585 -3.379 1.00 0.00 C ATOM 1736 CG TYR A 118 6.330 6.976 -1.900 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.451 7.991 -1.548 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.004 6.313 -0.897 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.260 8.322 -0.214 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.806 6.651 0.431 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.938 7.652 0.783 1.00 0.00 C ATOM 1742 OH TYR A 118 5.745 7.996 2.107 1.00 0.00 O ATOM 0 H TYR A 118 9.081 8.097 -2.840 1.00 0.00 H new ATOM 0 HA TYR A 118 7.525 7.271 -5.224 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.587 6.535 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.984 5.584 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.913 8.526 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.694 5.521 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.573 9.113 0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.344 6.118 1.201 1.00 0.00 H new ATOM 0 HH TYR A 118 6.299 7.424 2.678 1.00 0.00 H new ATOM 1752 N GLN A 119 6.161 9.388 -5.085 1.00 0.00 N ATOM 1753 CA GLN A 119 5.559 10.771 -5.063 1.00 0.00 C ATOM 1754 C GLN A 119 4.049 10.689 -5.447 1.00 0.00 C ATOM 1755 O GLN A 119 3.710 9.872 -6.292 1.00 0.00 O ATOM 1756 CB GLN A 119 6.368 11.670 -6.085 1.00 0.00 C ATOM 1757 CG GLN A 119 7.802 11.077 -6.495 1.00 0.00 C ATOM 1758 CD GLN A 119 8.815 10.882 -5.350 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.803 10.186 -5.487 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.648 11.457 -4.197 1.00 0.00 N ATOM 0 H GLN A 119 5.943 8.832 -5.912 1.00 0.00 H new ATOM 0 HA GLN A 119 5.622 11.212 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.771 11.801 -6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.508 12.659 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.647 10.114 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.247 11.741 -7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.834 12.050 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.331 11.315 -3.453 1.00 0.00 H new ATOM 1769 N PHE A 120 3.171 11.483 -4.861 1.00 0.00 N ATOM 1770 CA PHE A 120 1.723 11.345 -5.300 1.00 0.00 C ATOM 1771 C PHE A 120 1.623 11.785 -6.787 1.00 0.00 C ATOM 1772 O PHE A 120 2.178 12.792 -7.185 1.00 0.00 O ATOM 1773 CB PHE A 120 0.807 12.230 -4.401 1.00 0.00 C ATOM 1774 CG PHE A 120 0.462 11.494 -3.074 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.461 11.084 -2.211 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.854 11.231 -2.716 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.168 10.433 -1.027 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.148 10.583 -1.534 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.143 10.184 -0.691 1.00 0.00 C ATOM 0 H PHE A 120 3.368 12.180 -4.143 1.00 0.00 H new ATOM 0 HA PHE A 120 1.392 10.311 -5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.307 13.173 -4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.110 12.474 -4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.492 11.276 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.657 11.537 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.965 10.121 -0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.177 10.389 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.379 9.677 0.233 1.00 0.00 H new ATOM 1789 N VAL A 121 0.912 11.005 -7.566 1.00 0.00 N ATOM 1790 CA VAL A 121 0.738 11.292 -9.033 1.00 0.00 C ATOM 1791 C VAL A 121 -0.629 11.010 -9.706 1.00 0.00 C ATOM 1792 O VAL A 121 -1.418 10.219 -9.235 1.00 0.00 O ATOM 1793 CB VAL A 121 1.904 10.493 -9.725 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.413 9.429 -10.737 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.760 11.459 -10.525 1.00 0.00 C ATOM 0 H VAL A 121 0.434 10.164 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 121 0.770 12.374 -9.157 1.00 0.00 H new ATOM 0 HB VAL A 121 2.442 9.996 -8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.272 8.919 -11.174 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.782 8.703 -10.224 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.840 9.915 -11.526 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.570 10.913 -11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.147 11.945 -11.284 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.178 12.213 -9.858 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.851 11.708 -10.793 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.100 11.562 -11.602 1.00 0.00 C ATOM 1807 C ASP A 122 -1.865 10.460 -12.677 1.00 0.00 C ATOM 1808 O ASP A 122 -0.793 10.403 -13.250 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.405 12.942 -12.244 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.335 12.841 -13.450 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.141 11.929 -13.548 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.175 13.745 -14.246 1.00 0.00 O ATOM 0 H ASP A 122 -0.195 12.395 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.953 11.261 -10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.857 13.594 -11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.469 13.410 -12.551 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.830 9.620 -12.928 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.655 8.550 -13.974 1.00 0.00 C ATOM 1819 C CYS A 123 -3.114 9.058 -15.347 1.00 0.00 C ATOM 1820 O CYS A 123 -2.487 8.840 -16.363 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.487 7.280 -13.653 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.859 6.040 -12.494 1.00 0.00 S ATOM 0 H CYS A 123 -3.736 9.621 -12.459 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.594 8.301 -13.981 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.452 7.615 -13.274 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.675 6.771 -14.598 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.220 9.736 -15.256 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.953 10.358 -16.403 1.00 0.00 C ATOM 1829 C ARG A 124 -5.055 9.403 -17.619 1.00 0.00 C ATOM 1830 O ARG A 124 -4.552 9.689 -18.690 1.00 0.00 O ATOM 1831 CB ARG A 124 -4.228 11.652 -16.807 1.00 0.00 C ATOM 1832 CG ARG A 124 -5.276 12.544 -17.510 1.00 0.00 C ATOM 1833 CD ARG A 124 -4.629 13.750 -18.118 1.00 0.00 C ATOM 1834 NE ARG A 124 -3.820 14.397 -17.027 1.00 0.00 N ATOM 1835 CZ ARG A 124 -2.667 14.889 -17.265 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -2.462 15.435 -18.380 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -1.786 14.804 -16.364 1.00 0.00 N ATOM 0 H ARG A 124 -4.683 9.897 -14.361 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.972 10.574 -16.083 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.816 12.155 -15.932 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -3.393 11.436 -17.474 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -5.787 11.971 -18.284 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.034 12.856 -16.792 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.993 13.467 -18.957 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -5.380 14.439 -18.505 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.200 14.443 -16.081 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.210 15.478 -19.072 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -1.548 15.835 -18.592 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.006 14.352 -15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -0.854 15.188 -16.524 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.728 8.304 -17.376 1.00 0.00 N ATOM 1852 CA ASP A 125 -5.940 7.254 -18.409 1.00 0.00 C ATOM 1853 C ASP A 125 -6.931 7.837 -19.461 1.00 0.00 C ATOM 1854 O ASP A 125 -6.509 7.907 -20.606 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.486 6.014 -17.621 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.157 4.673 -18.222 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -5.040 4.454 -18.652 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -7.047 3.838 -18.230 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.040 8.186 -19.072 1.00 0.00 O ATOM 0 H ASP A 125 -6.151 8.090 -16.473 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.051 6.949 -18.960 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.089 6.046 -16.606 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.570 6.103 -17.543 1.00 0.00 H new TER 1864 ASP A 125