USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -170:sc= 0.602 (180deg=0) USER MOD Set 1.2: A 127 GLN : amide:sc= -0.0453 K(o=0.56,f=-2.5) USER MOD Set 2.1: A 55 SER OG : rot 180:sc=-0.00925 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.091) USER MOD Single : A 64 ASN : amide:sc= 0.00959 X(o=0.0096,f=-0.012) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0.589 (180deg=0.588) USER MOD Single : A 66 GLN : amide:sc= 0.233 K(o=0.23,f=-4.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 71 ASN : amide:sc= -0.297 K(o=-0.3,f=-0.97) USER MOD Single : A 74 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.32) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -4:sc= 1.11 USER MOD Single : A 79 HIS : no HE2:sc= -7.52! C(o=-7.5!,f=-7.7!) USER MOD Single : A 81 CYS SG : rot -40:sc= -1.84! USER MOD Single : A 83 MET CE :methyl -153:sc= -0.154 (180deg=-0.701) USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.15) USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= 0.83 (180deg=-0.266) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 113:sc= 0.985 USER MOD Single : A 103 HIS : no HD1:sc= -0.332 K(o=2,f=-12!) USER MOD Single : A 105 HIS : no HE2:sc= -3.26! X(o=-3.3!,f=-2.9) USER MOD Single : A 106 LYS NZ :NH3+ -173:sc= 0.734 (180deg=0.631) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot -147:sc= 0.765 USER MOD Single : A 120 SER OG : rot 33:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.839 7.663 2.837 1.00 0.00 N ATOM 2 CA SER A 55 -12.682 7.058 1.513 1.00 0.00 C ATOM 3 C SER A 55 -12.824 5.572 1.600 1.00 0.00 C ATOM 4 O SER A 55 -13.083 5.016 2.667 1.00 0.00 O ATOM 5 CB SER A 55 -11.286 7.374 0.941 1.00 0.00 C ATOM 6 OG SER A 55 -11.275 7.188 -0.471 1.00 0.00 O ATOM 0 HA SER A 55 -13.454 7.470 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.011 8.401 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.541 6.728 1.405 1.00 0.00 H new ATOM 0 HG SER A 55 -10.383 7.394 -0.821 1.00 0.00 H new ATOM 14 N ASN A 56 -12.669 4.899 0.447 1.00 0.00 N ATOM 15 CA ASN A 56 -12.595 3.469 0.424 1.00 0.00 C ATOM 16 C ASN A 56 -11.590 3.123 -0.631 1.00 0.00 C ATOM 17 O ASN A 56 -11.597 2.037 -1.211 1.00 0.00 O ATOM 18 CB ASN A 56 -13.952 2.813 0.133 1.00 0.00 C ATOM 19 CG ASN A 56 -13.900 1.361 0.594 1.00 0.00 C ATOM 20 OD1 ASN A 56 -14.056 1.065 1.779 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.680 0.428 -0.366 1.00 0.00 N ATOM 0 H ASN A 56 -12.595 5.342 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.300 3.090 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.749 3.346 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.176 2.864 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.639 -0.560 -0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.556 0.715 -1.337 1.00 0.00 H new ATOM 28 N THR A 57 -10.662 4.067 -0.881 1.00 0.00 N ATOM 29 CA THR A 57 -9.693 3.890 -1.921 1.00 0.00 C ATOM 30 C THR A 57 -8.385 4.392 -1.392 1.00 0.00 C ATOM 31 O THR A 57 -8.346 5.300 -0.562 1.00 0.00 O ATOM 32 CB THR A 57 -10.038 4.676 -3.199 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.991 6.077 -2.953 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.460 4.419 -3.707 1.00 0.00 C ATOM 0 H THR A 57 -10.582 4.945 -0.368 1.00 0.00 H new ATOM 0 HA THR A 57 -9.663 2.835 -2.192 1.00 0.00 H new ATOM 0 HB THR A 57 -9.304 4.342 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.211 6.561 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.635 5.004 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.580 3.359 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.178 4.710 -2.941 1.00 0.00 H new ATOM 42 N ILE A 58 -7.279 3.767 -1.836 1.00 0.00 N ATOM 43 CA ILE A 58 -5.976 4.293 -1.547 1.00 0.00 C ATOM 44 C ILE A 58 -5.169 4.100 -2.786 1.00 0.00 C ATOM 45 O ILE A 58 -5.589 3.396 -3.704 1.00 0.00 O ATOM 46 CB ILE A 58 -5.235 3.618 -0.377 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.145 2.798 0.544 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.368 4.592 0.441 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.339 1.349 0.082 1.00 0.00 C ATOM 0 H ILE A 58 -7.283 2.909 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.103 5.332 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.563 2.914 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.724 2.797 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.118 3.284 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.875 4.050 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.615 5.041 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.999 5.375 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.994 0.829 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.788 1.341 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.373 0.846 0.047 1.00 0.00 H new ATOM 61 N ARG A 59 -3.978 4.724 -2.856 1.00 0.00 N ATOM 62 CA ARG A 59 -3.203 4.605 -4.046 1.00 0.00 C ATOM 63 C ARG A 59 -2.037 3.752 -3.724 1.00 0.00 C ATOM 64 O ARG A 59 -1.640 3.655 -2.568 1.00 0.00 O ATOM 65 CB ARG A 59 -2.689 5.956 -4.511 1.00 0.00 C ATOM 66 CG ARG A 59 -3.750 6.786 -5.232 1.00 0.00 C ATOM 67 CD ARG A 59 -4.728 7.511 -4.297 1.00 0.00 C ATOM 68 NE ARG A 59 -4.261 8.922 -4.162 1.00 0.00 N ATOM 69 CZ ARG A 59 -4.834 9.759 -3.254 1.00 0.00 C ATOM 70 NH1 ARG A 59 -5.679 9.288 -2.316 1.00 0.00 N ATOM 71 NH2 ARG A 59 -4.423 11.044 -3.172 1.00 0.00 N ATOM 0 H ARG A 59 -3.565 5.291 -2.115 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.821 4.184 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.323 6.515 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.840 5.805 -5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.252 7.524 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.317 6.133 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.739 7.480 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.759 7.023 -3.323 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.505 9.263 -4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.897 8.292 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.101 9.927 -1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.686 11.384 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.850 11.674 -2.493 1.00 0.00 H new ATOM 85 N VAL A 60 -1.453 3.137 -4.764 1.00 0.00 N ATOM 86 CA VAL A 60 -0.305 2.308 -4.566 1.00 0.00 C ATOM 87 C VAL A 60 0.717 2.736 -5.560 1.00 0.00 C ATOM 88 O VAL A 60 0.541 2.563 -6.764 1.00 0.00 O ATOM 89 CB VAL A 60 -0.561 0.807 -4.747 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.578 -0.070 -4.211 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.886 0.341 -4.130 1.00 0.00 C ATOM 0 H VAL A 60 -1.769 3.211 -5.731 1.00 0.00 H new ATOM 0 HA VAL A 60 0.012 2.433 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.618 0.678 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.334 -1.120 -4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.502 0.172 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.709 0.115 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.006 -0.730 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.881 0.547 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.713 0.874 -4.599 1.00 0.00 H new ATOM 101 N PHE A 61 1.820 3.311 -5.057 1.00 0.00 N ATOM 102 CA PHE A 61 2.883 3.735 -5.915 1.00 0.00 C ATOM 103 C PHE A 61 3.842 2.597 -6.002 1.00 0.00 C ATOM 104 O PHE A 61 4.032 1.850 -5.041 1.00 0.00 O ATOM 105 CB PHE A 61 3.637 4.963 -5.373 1.00 0.00 C ATOM 106 CG PHE A 61 2.866 6.184 -5.754 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.558 6.384 -5.293 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.440 7.184 -6.525 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.844 7.513 -5.644 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.739 8.339 -6.832 1.00 0.00 C ATOM 111 CZ PHE A 61 1.440 8.500 -6.400 1.00 0.00 C ATOM 0 H PHE A 61 1.978 3.483 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 61 2.462 4.018 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.739 4.900 -4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.645 5.004 -5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.101 5.644 -4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.448 7.060 -6.891 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.182 7.623 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.213 9.117 -7.413 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.891 9.395 -6.653 1.00 0.00 H new ATOM 121 N LEU A 62 4.478 2.413 -7.178 1.00 0.00 N ATOM 122 CA LEU A 62 5.477 1.391 -7.278 1.00 0.00 C ATOM 123 C LEU A 62 6.725 1.952 -6.656 1.00 0.00 C ATOM 124 O LEU A 62 6.779 3.142 -6.341 1.00 0.00 O ATOM 125 CB LEU A 62 5.730 0.909 -8.716 1.00 0.00 C ATOM 126 CG LEU A 62 4.718 -0.134 -9.202 1.00 0.00 C ATOM 127 CD1 LEU A 62 5.057 -1.565 -8.769 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.272 0.190 -8.808 1.00 0.00 C ATOM 0 H LEU A 62 4.309 2.950 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 62 5.133 0.498 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.705 1.767 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.733 0.486 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 62 4.796 -0.081 -10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.298 -2.249 -9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.031 -1.845 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.083 -1.619 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.609 -0.589 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.193 0.240 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.984 1.150 -9.238 1.00 0.00 H new ATOM 140 N PRO A 63 7.683 1.054 -6.458 1.00 0.00 N ATOM 141 CA PRO A 63 8.772 1.589 -5.663 1.00 0.00 C ATOM 142 C PRO A 63 9.541 2.507 -6.573 1.00 0.00 C ATOM 143 O PRO A 63 10.408 2.075 -7.328 1.00 0.00 O ATOM 144 CB PRO A 63 9.596 0.368 -5.331 1.00 0.00 C ATOM 145 CG PRO A 63 8.618 -0.805 -5.331 1.00 0.00 C ATOM 146 CD PRO A 63 7.330 -0.263 -5.950 1.00 0.00 C ATOM 0 HA PRO A 63 8.478 2.134 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.387 0.218 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.079 0.474 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.009 -1.642 -5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.444 -1.170 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.973 -0.912 -6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.532 -0.200 -5.210 1.00 0.00 H new ATOM 154 N ASN A 64 9.265 3.825 -6.440 1.00 0.00 N ATOM 155 CA ASN A 64 10.077 4.844 -7.044 1.00 0.00 C ATOM 156 C ASN A 64 9.773 4.886 -8.515 1.00 0.00 C ATOM 157 O ASN A 64 10.550 5.433 -9.298 1.00 0.00 O ATOM 158 CB ASN A 64 11.590 4.719 -6.790 1.00 0.00 C ATOM 159 CG ASN A 64 11.811 4.651 -5.284 1.00 0.00 C ATOM 160 OD1 ASN A 64 11.555 5.615 -4.560 1.00 0.00 O ATOM 161 ND2 ASN A 64 12.229 3.459 -4.782 1.00 0.00 N ATOM 0 H ASN A 64 8.472 4.185 -5.909 1.00 0.00 H new ATOM 0 HA ASN A 64 9.812 5.784 -6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.985 3.826 -7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.119 5.572 -7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.340 3.340 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.432 2.683 -5.412 1.00 0.00 H new ATOM 168 N LYS A 65 8.591 4.369 -8.910 1.00 0.00 N ATOM 169 CA LYS A 65 8.229 4.370 -10.298 1.00 0.00 C ATOM 170 C LYS A 65 6.789 4.794 -10.400 1.00 0.00 C ATOM 171 O LYS A 65 6.488 5.973 -10.576 1.00 0.00 O ATOM 172 CB LYS A 65 8.408 3.010 -11.008 1.00 0.00 C ATOM 173 CG LYS A 65 9.695 2.269 -10.625 1.00 0.00 C ATOM 174 CD LYS A 65 10.973 2.943 -11.134 1.00 0.00 C ATOM 175 CE LYS A 65 12.152 2.826 -10.164 1.00 0.00 C ATOM 176 NZ LYS A 65 12.942 4.053 -10.186 1.00 0.00 N ATOM 0 H LYS A 65 7.899 3.958 -8.283 1.00 0.00 H new ATOM 0 HA LYS A 65 8.906 5.059 -10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.553 2.375 -10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.401 3.171 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.746 2.187 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.649 1.254 -11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.253 2.499 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.769 3.997 -11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.786 2.638 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.777 1.977 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.749 3.958 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.291 4.224 -11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.349 4.853 -9.886 1.00 0.00 H new ATOM 190 N GLN A 66 5.857 3.822 -10.315 1.00 0.00 N ATOM 191 CA GLN A 66 4.550 4.022 -10.867 1.00 0.00 C ATOM 192 C GLN A 66 3.572 4.230 -9.764 1.00 0.00 C ATOM 193 O GLN A 66 3.941 4.550 -8.640 1.00 0.00 O ATOM 194 CB GLN A 66 4.092 2.838 -11.731 1.00 0.00 C ATOM 195 CG GLN A 66 4.012 3.168 -13.220 1.00 0.00 C ATOM 196 CD GLN A 66 2.546 3.158 -13.625 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.007 2.127 -14.028 1.00 0.00 O ATOM 198 NE2 GLN A 66 1.849 4.303 -13.414 1.00 0.00 N ATOM 0 H GLN A 66 6.005 2.915 -9.873 1.00 0.00 H new ATOM 0 HA GLN A 66 4.599 4.901 -11.510 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.781 2.005 -11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.113 2.504 -11.387 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.456 4.144 -13.419 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.573 2.438 -13.803 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.329 5.138 -13.079 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.845 4.328 -13.590 1.00 0.00 H new ATOM 207 N ARG A 67 2.277 4.170 -10.137 1.00 0.00 N ATOM 208 CA ARG A 67 1.223 4.521 -9.237 1.00 0.00 C ATOM 209 C ARG A 67 -0.038 3.925 -9.776 1.00 0.00 C ATOM 210 O ARG A 67 -0.090 3.498 -10.930 1.00 0.00 O ATOM 211 CB ARG A 67 1.027 6.034 -9.123 1.00 0.00 C ATOM 212 CG ARG A 67 0.975 6.751 -10.474 1.00 0.00 C ATOM 213 CD ARG A 67 2.317 7.357 -10.890 1.00 0.00 C ATOM 214 NE ARG A 67 2.382 7.328 -12.381 1.00 0.00 N ATOM 215 CZ ARG A 67 3.558 7.555 -13.029 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.725 7.592 -12.354 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.586 7.601 -14.380 1.00 0.00 N ATOM 0 H ARG A 67 1.963 3.878 -11.062 1.00 0.00 H new ATOM 0 HA ARG A 67 1.477 4.147 -8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.102 6.232 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.840 6.453 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.650 6.046 -11.239 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.226 7.541 -10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.406 8.379 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.143 6.791 -10.460 1.00 0.00 H new ATOM 0 HE ARG A 67 1.537 7.136 -12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.735 7.449 -11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.598 7.763 -12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.727 7.466 -14.913 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.466 7.771 -14.866 1.00 0.00 H new ATOM 231 N THR A 68 -1.080 3.892 -8.924 1.00 0.00 N ATOM 232 CA THR A 68 -2.365 3.399 -9.329 1.00 0.00 C ATOM 233 C THR A 68 -3.268 3.555 -8.143 1.00 0.00 C ATOM 234 O THR A 68 -2.814 3.926 -7.061 1.00 0.00 O ATOM 235 CB THR A 68 -2.377 1.932 -9.796 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.649 1.591 -10.330 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.973 0.921 -8.712 1.00 0.00 C ATOM 0 H THR A 68 -1.034 4.206 -7.955 1.00 0.00 H new ATOM 0 HA THR A 68 -2.688 3.970 -10.200 1.00 0.00 H new ATOM 0 HB THR A 68 -1.613 1.865 -10.571 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.640 0.656 -10.624 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.008 -0.088 -9.124 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.961 1.139 -8.370 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.663 0.994 -7.871 1.00 0.00 H new ATOM 245 N VAL A 69 -4.573 3.282 -8.330 1.00 0.00 N ATOM 246 CA VAL A 69 -5.500 3.378 -7.240 1.00 0.00 C ATOM 247 C VAL A 69 -6.084 2.021 -7.034 1.00 0.00 C ATOM 248 O VAL A 69 -6.248 1.248 -7.977 1.00 0.00 O ATOM 249 CB VAL A 69 -6.628 4.394 -7.468 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.283 4.287 -8.851 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.686 4.423 -6.347 1.00 0.00 C ATOM 0 H VAL A 69 -4.983 2.999 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.956 3.735 -6.366 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.117 5.356 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.070 5.036 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.533 4.457 -9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.712 3.293 -8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.447 5.166 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.152 3.441 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.208 4.682 -5.402 1.00 0.00 H new ATOM 261 N VAL A 70 -6.410 1.711 -5.768 1.00 0.00 N ATOM 262 CA VAL A 70 -6.964 0.430 -5.445 1.00 0.00 C ATOM 263 C VAL A 70 -8.134 0.667 -4.544 1.00 0.00 C ATOM 264 O VAL A 70 -8.250 1.719 -3.915 1.00 0.00 O ATOM 265 CB VAL A 70 -5.969 -0.498 -4.736 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.798 -0.917 -5.627 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.402 0.083 -3.429 1.00 0.00 C ATOM 0 H VAL A 70 -6.292 2.339 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.244 -0.066 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.570 -1.375 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.131 -1.572 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.177 -1.447 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.250 -0.031 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.707 -0.630 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.879 1.016 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.218 0.275 -2.732 1.00 0.00 H new ATOM 277 N ASN A 71 -9.024 -0.339 -4.452 1.00 0.00 N ATOM 278 CA ASN A 71 -10.163 -0.237 -3.590 1.00 0.00 C ATOM 279 C ASN A 71 -9.995 -1.278 -2.531 1.00 0.00 C ATOM 280 O ASN A 71 -9.512 -2.378 -2.801 1.00 0.00 O ATOM 281 CB ASN A 71 -11.488 -0.537 -4.315 1.00 0.00 C ATOM 282 CG ASN A 71 -11.878 0.688 -5.134 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.763 1.451 -4.748 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.239 0.859 -6.322 1.00 0.00 N ATOM 0 H ASN A 71 -8.957 -1.216 -4.969 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.213 0.781 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.377 -1.406 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.269 -0.775 -3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.488 1.641 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.510 0.205 -6.608 1.00 0.00 H new ATOM 291 N VAL A 72 -10.417 -0.956 -1.293 1.00 0.00 N ATOM 292 CA VAL A 72 -10.337 -1.915 -0.230 1.00 0.00 C ATOM 293 C VAL A 72 -11.625 -2.672 -0.224 1.00 0.00 C ATOM 294 O VAL A 72 -12.705 -2.100 -0.373 1.00 0.00 O ATOM 295 CB VAL A 72 -10.120 -1.293 1.157 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.098 -2.322 2.296 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.813 -0.505 1.256 1.00 0.00 C ATOM 0 H VAL A 72 -10.806 -0.051 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.470 -2.549 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.979 -0.632 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.941 -1.810 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.049 -2.854 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.289 -3.033 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.714 -0.089 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.972 -1.168 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.820 0.305 0.526 1.00 0.00 H new ATOM 307 N ARG A 73 -11.532 -4.006 -0.084 1.00 0.00 N ATOM 308 CA ARG A 73 -12.711 -4.815 -0.045 1.00 0.00 C ATOM 309 C ARG A 73 -12.709 -5.516 1.275 1.00 0.00 C ATOM 310 O ARG A 73 -11.748 -5.426 2.040 1.00 0.00 O ATOM 311 CB ARG A 73 -12.746 -5.849 -1.182 1.00 0.00 C ATOM 312 CG ARG A 73 -13.820 -5.565 -2.238 1.00 0.00 C ATOM 313 CD ARG A 73 -13.458 -4.417 -3.190 1.00 0.00 C ATOM 314 NE ARG A 73 -13.916 -3.139 -2.566 1.00 0.00 N ATOM 315 CZ ARG A 73 -15.232 -2.786 -2.578 1.00 0.00 C ATOM 316 NH1 ARG A 73 -16.132 -3.502 -3.279 1.00 0.00 N ATOM 317 NH2 ARG A 73 -15.633 -1.657 -1.954 1.00 0.00 N ATOM 0 H ARG A 73 -10.655 -4.519 0.001 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.591 -4.184 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.770 -5.876 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.919 -6.838 -0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.992 -6.469 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.758 -5.327 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.382 -4.392 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.935 -4.561 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.234 -2.522 -2.125 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.831 -4.320 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.114 -3.227 -3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.951 -1.070 -1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.618 -1.392 -1.962 1.00 0.00 H new ATOM 331 N ASN A 74 -13.789 -6.264 1.564 1.00 0.00 N ATOM 332 CA ASN A 74 -13.922 -6.884 2.851 1.00 0.00 C ATOM 333 C ASN A 74 -13.082 -8.126 2.850 1.00 0.00 C ATOM 334 O ASN A 74 -13.410 -9.116 2.196 1.00 0.00 O ATOM 335 CB ASN A 74 -15.363 -7.231 3.273 1.00 0.00 C ATOM 336 CG ASN A 74 -16.202 -7.456 2.019 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.958 -6.583 1.596 1.00 0.00 O ATOM 338 ND2 ASN A 74 -16.046 -8.649 1.387 1.00 0.00 N ATOM 0 H ASN A 74 -14.560 -6.439 0.920 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.589 -6.151 3.586 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.369 -8.125 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.786 -6.423 3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.566 -8.845 0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.409 -9.349 1.768 1.00 0.00 H new ATOM 345 N GLY A 75 -11.968 -8.087 3.604 1.00 0.00 N ATOM 346 CA GLY A 75 -11.104 -9.229 3.690 1.00 0.00 C ATOM 347 C GLY A 75 -9.721 -8.771 3.365 1.00 0.00 C ATOM 348 O GLY A 75 -8.740 -9.414 3.733 1.00 0.00 O ATOM 0 H GLY A 75 -11.667 -7.278 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.139 -9.662 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.424 -10.005 2.995 1.00 0.00 H new ATOM 352 N MET A 76 -9.605 -7.634 2.651 1.00 0.00 N ATOM 353 CA MET A 76 -8.325 -7.212 2.171 1.00 0.00 C ATOM 354 C MET A 76 -7.677 -6.399 3.238 1.00 0.00 C ATOM 355 O MET A 76 -8.338 -5.718 4.022 1.00 0.00 O ATOM 356 CB MET A 76 -8.387 -6.350 0.906 1.00 0.00 C ATOM 357 CG MET A 76 -8.630 -7.154 -0.373 1.00 0.00 C ATOM 358 SD MET A 76 -10.340 -7.773 -0.406 1.00 0.00 S ATOM 359 CE MET A 76 -10.327 -8.612 -2.022 1.00 0.00 C ATOM 0 H MET A 76 -10.382 -7.018 2.410 1.00 0.00 H new ATOM 0 HA MET A 76 -7.769 -8.116 1.920 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.182 -5.612 1.018 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.452 -5.799 0.806 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.445 -6.528 -1.246 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.932 -7.989 -0.425 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.305 -9.054 -2.210 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.099 -7.889 -2.805 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.569 -9.395 -2.019 1.00 0.00 H new ATOM 369 N SER A 77 -6.335 -6.435 3.262 1.00 0.00 N ATOM 370 CA SER A 77 -5.593 -5.636 4.191 1.00 0.00 C ATOM 371 C SER A 77 -4.176 -5.725 3.785 1.00 0.00 C ATOM 372 O SER A 77 -3.531 -6.733 4.053 1.00 0.00 O ATOM 373 CB SER A 77 -5.610 -6.201 5.592 1.00 0.00 C ATOM 374 OG SER A 77 -6.911 -6.104 6.154 1.00 0.00 O ATOM 0 H SER A 77 -5.764 -7.012 2.644 1.00 0.00 H new ATOM 0 HA SER A 77 -6.027 -4.636 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.293 -7.244 5.573 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.897 -5.662 6.216 1.00 0.00 H new ATOM 0 HG SER A 77 -7.503 -5.634 5.530 1.00 0.00 H new ATOM 380 N LEU A 78 -3.689 -4.623 3.198 1.00 0.00 N ATOM 381 CA LEU A 78 -2.310 -4.488 2.847 1.00 0.00 C ATOM 382 C LEU A 78 -1.919 -5.616 1.944 1.00 0.00 C ATOM 383 O LEU A 78 -1.995 -5.502 0.745 1.00 0.00 O ATOM 384 CB LEU A 78 -1.385 -4.369 4.051 1.00 0.00 C ATOM 385 CG LEU A 78 -0.910 -2.943 4.312 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.301 -2.252 3.108 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.040 -1.964 4.553 1.00 0.00 C ATOM 0 H LEU A 78 -4.259 -3.811 2.962 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.192 -3.543 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.903 -4.739 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.517 -5.011 3.898 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.231 -3.116 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.008 -1.244 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.566 -2.816 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.039 -2.198 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.629 -0.970 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.690 -1.936 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.616 -2.280 5.423 1.00 0.00 H new ATOM 399 N HIS A 79 -1.484 -6.741 2.534 1.00 0.00 N ATOM 400 CA HIS A 79 -0.941 -7.847 1.788 1.00 0.00 C ATOM 401 C HIS A 79 -1.957 -8.274 0.768 1.00 0.00 C ATOM 402 O HIS A 79 -1.696 -8.220 -0.425 1.00 0.00 O ATOM 403 CB HIS A 79 -0.677 -9.065 2.691 1.00 0.00 C ATOM 404 CG HIS A 79 0.777 -9.300 2.981 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.183 -10.106 4.006 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.889 -8.976 2.280 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.502 -10.200 3.972 1.00 0.00 C ATOM 408 NE2 HIS A 79 2.953 -9.561 2.906 1.00 0.00 N ATOM 0 H HIS A 79 -1.506 -6.892 3.542 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.004 -7.520 1.336 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.208 -8.929 3.633 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.092 -9.954 2.216 1.00 0.00 H new ATOM 0 HD1 HIS A 79 0.571 -10.560 4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.928 -8.367 1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.112 -10.716 4.698 1.00 0.00 H new ATOM 417 N ASP A 80 -3.176 -8.629 1.219 1.00 0.00 N ATOM 418 CA ASP A 80 -4.154 -9.175 0.319 1.00 0.00 C ATOM 419 C ASP A 80 -4.857 -8.027 -0.353 1.00 0.00 C ATOM 420 O ASP A 80 -5.701 -8.229 -1.221 1.00 0.00 O ATOM 421 CB ASP A 80 -5.209 -10.023 1.040 1.00 0.00 C ATOM 422 CG ASP A 80 -4.487 -11.067 1.879 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.908 -10.678 2.931 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.496 -12.259 1.475 1.00 0.00 O ATOM 0 H ASP A 80 -3.483 -8.541 2.188 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.636 -9.820 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.835 -9.394 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.868 -10.505 0.318 1.00 0.00 H new ATOM 429 N CYS A 81 -4.493 -6.787 0.026 1.00 0.00 N ATOM 430 CA CYS A 81 -5.142 -5.627 -0.513 1.00 0.00 C ATOM 431 C CYS A 81 -4.217 -5.029 -1.550 1.00 0.00 C ATOM 432 O CYS A 81 -4.625 -4.202 -2.364 1.00 0.00 O ATOM 433 CB CYS A 81 -5.425 -4.601 0.602 1.00 0.00 C ATOM 434 SG CYS A 81 -6.769 -3.479 0.089 1.00 0.00 S ATOM 0 H CYS A 81 -3.755 -6.587 0.701 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.097 -5.901 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.702 -5.117 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.523 -4.028 0.818 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.622 -3.171 -1.166 1.00 0.00 H new ATOM 440 N LEU A 82 -2.952 -5.494 -1.555 1.00 0.00 N ATOM 441 CA LEU A 82 -1.938 -4.955 -2.421 1.00 0.00 C ATOM 442 C LEU A 82 -1.596 -6.016 -3.378 1.00 0.00 C ATOM 443 O LEU A 82 -1.123 -5.743 -4.472 1.00 0.00 O ATOM 444 CB LEU A 82 -0.633 -4.780 -1.649 1.00 0.00 C ATOM 445 CG LEU A 82 -0.589 -3.531 -0.780 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.483 -2.533 -1.216 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.920 -2.782 -0.705 1.00 0.00 C ATOM 0 H LEU A 82 -2.627 -6.251 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.301 -4.023 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.476 -5.655 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.194 -4.746 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.347 -3.925 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.462 -1.665 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.464 -3.006 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.289 -2.215 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.808 -1.905 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.218 -2.468 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.684 -3.438 -0.288 1.00 0.00 H new ATOM 459 N MET A 83 -1.704 -7.259 -2.889 1.00 0.00 N ATOM 460 CA MET A 83 -1.549 -8.435 -3.689 1.00 0.00 C ATOM 461 C MET A 83 -2.352 -8.252 -4.933 1.00 0.00 C ATOM 462 O MET A 83 -1.911 -8.701 -5.969 1.00 0.00 O ATOM 463 CB MET A 83 -2.163 -9.575 -2.879 1.00 0.00 C ATOM 464 CG MET A 83 -2.464 -10.813 -3.705 1.00 0.00 C ATOM 465 SD MET A 83 -2.779 -12.226 -2.598 1.00 0.00 S ATOM 466 CE MET A 83 -1.085 -12.533 -2.004 1.00 0.00 C ATOM 0 H MET A 83 -1.905 -7.456 -1.909 1.00 0.00 H new ATOM 0 HA MET A 83 -0.507 -8.632 -3.943 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.482 -9.844 -2.071 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.085 -9.225 -2.415 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.331 -10.636 -4.341 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.625 -11.035 -4.365 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.981 -13.582 -1.727 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.373 -12.294 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.885 -11.907 -1.134 1.00 0.00 H new ATOM 476 N LYS A 84 -3.481 -7.536 -4.789 1.00 0.00 N ATOM 477 CA LYS A 84 -4.265 -7.074 -5.886 1.00 0.00 C ATOM 478 C LYS A 84 -3.401 -6.264 -6.823 1.00 0.00 C ATOM 479 O LYS A 84 -3.294 -6.590 -7.999 1.00 0.00 O ATOM 480 CB LYS A 84 -5.125 -6.097 -5.139 1.00 0.00 C ATOM 481 CG LYS A 84 -6.261 -5.508 -5.937 1.00 0.00 C ATOM 482 CD LYS A 84 -7.311 -4.948 -5.002 1.00 0.00 C ATOM 483 CE LYS A 84 -8.599 -4.519 -5.704 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.671 -4.356 -4.725 1.00 0.00 N ATOM 0 H LYS A 84 -3.858 -7.271 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.759 -7.851 -6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.537 -6.596 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.495 -5.284 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.887 -4.721 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.702 -6.272 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.552 -5.699 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.893 -4.091 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.437 -3.583 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.884 -5.264 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.519 -3.983 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.891 -5.277 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.367 -3.692 -3.985 1.00 0.00 H new ATOM 498 N ALA A 85 -2.837 -5.147 -6.312 1.00 0.00 N ATOM 499 CA ALA A 85 -2.168 -4.169 -7.146 1.00 0.00 C ATOM 500 C ALA A 85 -1.013 -4.824 -7.836 1.00 0.00 C ATOM 501 O ALA A 85 -0.732 -4.549 -8.998 1.00 0.00 O ATOM 502 CB ALA A 85 -1.569 -3.168 -6.135 1.00 0.00 C ATOM 0 H ALA A 85 -2.841 -4.915 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.837 -3.724 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.038 -2.382 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.370 -2.725 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.876 -3.689 -5.475 1.00 0.00 H new ATOM 508 N LEU A 86 -0.271 -5.660 -7.098 1.00 0.00 N ATOM 509 CA LEU A 86 0.975 -6.178 -7.582 1.00 0.00 C ATOM 510 C LEU A 86 0.672 -7.401 -8.340 1.00 0.00 C ATOM 511 O LEU A 86 1.512 -7.916 -9.054 1.00 0.00 O ATOM 512 CB LEU A 86 1.795 -6.598 -6.384 1.00 0.00 C ATOM 513 CG LEU A 86 1.991 -5.451 -5.401 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.858 -5.870 -3.973 1.00 0.00 C ATOM 515 CD2 LEU A 86 3.074 -4.468 -5.824 1.00 0.00 C ATOM 0 H LEU A 86 -0.529 -5.981 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 86 1.500 -5.440 -8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.302 -7.429 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.767 -6.960 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 86 1.135 -4.779 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.009 -5.007 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.862 -6.280 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.606 -6.629 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.159 -3.678 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.027 -4.991 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.812 -4.031 -6.788 1.00 0.00 H new ATOM 527 N LYS A 87 -0.536 -7.929 -8.119 1.00 0.00 N ATOM 528 CA LYS A 87 -1.014 -9.038 -8.899 1.00 0.00 C ATOM 529 C LYS A 87 -1.088 -8.591 -10.328 1.00 0.00 C ATOM 530 O LYS A 87 -0.715 -9.333 -11.237 1.00 0.00 O ATOM 531 CB LYS A 87 -2.457 -9.406 -8.548 1.00 0.00 C ATOM 532 CG LYS A 87 -2.655 -10.887 -8.269 1.00 0.00 C ATOM 533 CD LYS A 87 -3.150 -11.664 -9.493 1.00 0.00 C ATOM 534 CE LYS A 87 -2.160 -12.722 -9.992 1.00 0.00 C ATOM 535 NZ LYS A 87 -0.913 -12.087 -10.413 1.00 0.00 N ATOM 0 H LYS A 87 -1.186 -7.597 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.345 -9.879 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.766 -8.835 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.109 -9.109 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.713 -11.317 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.371 -11.006 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.094 -12.150 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.355 -10.961 -10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.960 -13.445 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.595 -13.274 -10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.477 -12.648 -11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.113 -11.128 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.261 -12.032 -9.604 1.00 0.00 H new ATOM 549 N VAL A 88 -1.644 -7.379 -10.512 1.00 0.00 N ATOM 550 CA VAL A 88 -1.813 -6.781 -11.812 1.00 0.00 C ATOM 551 C VAL A 88 -0.463 -6.700 -12.473 1.00 0.00 C ATOM 552 O VAL A 88 -0.347 -6.775 -13.694 1.00 0.00 O ATOM 553 CB VAL A 88 -2.292 -5.330 -11.639 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.453 -4.553 -12.944 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.553 -5.198 -10.799 1.00 0.00 C ATOM 0 H VAL A 88 -1.985 -6.798 -9.746 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.523 -7.369 -12.394 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.469 -4.870 -11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.794 -3.541 -12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.495 -4.509 -13.462 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.185 -5.053 -13.577 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.830 -4.147 -10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.364 -5.753 -11.271 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.370 -5.600 -9.802 1.00 0.00 H new ATOM 565 N ARG A 89 0.584 -6.533 -11.650 1.00 0.00 N ATOM 566 CA ARG A 89 1.869 -6.152 -12.147 1.00 0.00 C ATOM 567 C ARG A 89 2.698 -7.395 -12.275 1.00 0.00 C ATOM 568 O ARG A 89 3.493 -7.531 -13.204 1.00 0.00 O ATOM 569 CB ARG A 89 2.505 -5.206 -11.127 1.00 0.00 C ATOM 570 CG ARG A 89 1.614 -4.005 -10.798 1.00 0.00 C ATOM 571 CD ARG A 89 1.936 -2.762 -11.627 1.00 0.00 C ATOM 572 NE ARG A 89 1.093 -1.644 -11.110 1.00 0.00 N ATOM 573 CZ ARG A 89 1.178 -0.404 -11.665 1.00 0.00 C ATOM 574 NH1 ARG A 89 2.002 -0.172 -12.705 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.414 0.600 -11.186 1.00 0.00 N ATOM 0 H ARG A 89 0.542 -6.662 -10.639 1.00 0.00 H new ATOM 0 HA ARG A 89 1.796 -5.655 -13.115 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.718 -5.757 -10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.460 -4.850 -11.514 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.572 -4.280 -10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.719 -3.764 -9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.994 -2.512 -11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.729 -2.941 -12.682 1.00 0.00 H new ATOM 0 HE ARG A 89 0.449 -1.810 -10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.570 -0.929 -13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.058 0.761 -13.113 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.225 0.429 -10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.476 1.530 -11.600 1.00 0.00 H new ATOM 589 N GLY A 90 2.532 -8.324 -11.318 1.00 0.00 N ATOM 590 CA GLY A 90 3.270 -9.556 -11.337 1.00 0.00 C ATOM 591 C GLY A 90 4.352 -9.440 -10.312 1.00 0.00 C ATOM 592 O GLY A 90 5.440 -9.987 -10.479 1.00 0.00 O ATOM 0 H GLY A 90 1.890 -8.227 -10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.617 -10.399 -11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.694 -9.735 -12.325 1.00 0.00 H new ATOM 596 N LEU A 91 4.061 -8.726 -9.205 1.00 0.00 N ATOM 597 CA LEU A 91 5.076 -8.432 -8.236 1.00 0.00 C ATOM 598 C LEU A 91 4.737 -9.179 -6.982 1.00 0.00 C ATOM 599 O LEU A 91 3.619 -9.668 -6.811 1.00 0.00 O ATOM 600 CB LEU A 91 5.142 -6.936 -7.886 1.00 0.00 C ATOM 601 CG LEU A 91 5.756 -6.060 -8.984 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.555 -4.875 -8.428 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.610 -6.841 -9.986 1.00 0.00 C ATOM 0 H LEU A 91 3.136 -8.357 -8.983 1.00 0.00 H new ATOM 0 HA LEU A 91 6.039 -8.723 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.134 -6.579 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.723 -6.814 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 91 4.894 -5.667 -9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.965 -4.293 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.899 -4.243 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.370 -5.245 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.011 -6.156 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.432 -7.328 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.996 -7.595 -10.478 1.00 0.00 H new ATOM 615 N GLN A 92 5.705 -9.230 -6.045 1.00 0.00 N ATOM 616 CA GLN A 92 5.506 -9.939 -4.813 1.00 0.00 C ATOM 617 C GLN A 92 5.494 -8.919 -3.707 1.00 0.00 C ATOM 618 O GLN A 92 6.359 -8.044 -3.632 1.00 0.00 O ATOM 619 CB GLN A 92 6.631 -10.943 -4.527 1.00 0.00 C ATOM 620 CG GLN A 92 6.604 -12.165 -5.454 1.00 0.00 C ATOM 621 CD GLN A 92 7.291 -13.328 -4.742 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.517 -13.437 -4.748 1.00 0.00 O ATOM 623 NE2 GLN A 92 6.498 -14.267 -4.142 1.00 0.00 N ATOM 0 H GLN A 92 6.618 -8.785 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 92 4.573 -10.498 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.592 -10.440 -4.629 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.555 -11.278 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.576 -12.428 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.113 -11.941 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.484 -14.158 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.921 -15.077 -3.688 1.00 0.00 H new ATOM 632 N PRO A 93 4.555 -9.138 -2.796 1.00 0.00 N ATOM 633 CA PRO A 93 4.558 -8.114 -1.771 1.00 0.00 C ATOM 634 C PRO A 93 5.270 -8.739 -0.599 1.00 0.00 C ATOM 635 O PRO A 93 5.685 -8.041 0.321 1.00 0.00 O ATOM 636 CB PRO A 93 3.108 -7.924 -1.372 1.00 0.00 C ATOM 637 CG PRO A 93 2.337 -9.092 -1.976 1.00 0.00 C ATOM 638 CD PRO A 93 3.221 -9.634 -3.090 1.00 0.00 C ATOM 0 HA PRO A 93 5.016 -7.176 -2.085 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.003 -7.909 -0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.725 -6.973 -1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.136 -9.858 -1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.372 -8.766 -2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.202 -10.724 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.879 -9.290 -4.066 1.00 0.00 H new ATOM 646 N GLU A 94 5.481 -10.073 -0.624 1.00 0.00 N ATOM 647 CA GLU A 94 5.878 -10.781 0.564 1.00 0.00 C ATOM 648 C GLU A 94 7.293 -10.398 0.909 1.00 0.00 C ATOM 649 O GLU A 94 7.731 -10.576 2.044 1.00 0.00 O ATOM 650 CB GLU A 94 5.840 -12.312 0.423 1.00 0.00 C ATOM 651 CG GLU A 94 4.485 -12.859 -0.047 1.00 0.00 C ATOM 652 CD GLU A 94 4.559 -13.094 -1.550 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.777 -12.102 -2.294 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.442 -14.271 -1.981 1.00 0.00 O ATOM 0 H GLU A 94 5.379 -10.656 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 94 5.161 -10.502 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.611 -12.621 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.089 -12.762 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.250 -13.789 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.688 -12.153 0.188 1.00 0.00 H new ATOM 661 N CYS A 95 8.046 -9.859 -0.069 1.00 0.00 N ATOM 662 CA CYS A 95 9.444 -9.622 0.145 1.00 0.00 C ATOM 663 C CYS A 95 9.669 -8.140 0.115 1.00 0.00 C ATOM 664 O CYS A 95 10.785 -7.673 -0.110 1.00 0.00 O ATOM 665 CB CYS A 95 10.291 -10.227 -0.976 1.00 0.00 C ATOM 666 SG CYS A 95 10.215 -12.045 -0.888 1.00 0.00 S ATOM 0 H CYS A 95 7.698 -9.592 -0.990 1.00 0.00 H new ATOM 0 HA CYS A 95 9.730 -10.073 1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.928 -9.884 -1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.324 -9.892 -0.886 1.00 0.00 H new ATOM 0 HG CYS A 95 10.934 -12.556 -1.843 1.00 0.00 H new ATOM 672 N CYS A 96 8.613 -7.350 0.382 1.00 0.00 N ATOM 673 CA CYS A 96 8.723 -5.931 0.231 1.00 0.00 C ATOM 674 C CYS A 96 8.202 -5.290 1.486 1.00 0.00 C ATOM 675 O CYS A 96 7.623 -5.953 2.346 1.00 0.00 O ATOM 676 CB CYS A 96 7.870 -5.418 -0.933 1.00 0.00 C ATOM 677 SG CYS A 96 8.528 -6.057 -2.509 1.00 0.00 S ATOM 0 H CYS A 96 7.702 -7.684 0.696 1.00 0.00 H new ATOM 0 HA CYS A 96 9.768 -5.686 0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.835 -5.735 -0.805 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.870 -4.328 -0.943 1.00 0.00 H new ATOM 0 HG CYS A 96 7.677 -6.891 -3.028 1.00 0.00 H new ATOM 683 N ALA A 97 8.412 -3.961 1.596 1.00 0.00 N ATOM 684 CA ALA A 97 7.834 -3.193 2.659 1.00 0.00 C ATOM 685 C ALA A 97 6.879 -2.241 2.023 1.00 0.00 C ATOM 686 O ALA A 97 7.173 -1.651 0.991 1.00 0.00 O ATOM 687 CB ALA A 97 8.812 -2.338 3.493 1.00 0.00 C ATOM 0 H ALA A 97 8.983 -3.419 0.947 1.00 0.00 H new ATOM 0 HA ALA A 97 7.398 -3.915 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.260 -1.803 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.554 -2.985 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.314 -1.621 2.843 1.00 0.00 H new ATOM 693 N VAL A 98 5.715 -2.055 2.660 1.00 0.00 N ATOM 694 CA VAL A 98 4.778 -1.061 2.218 1.00 0.00 C ATOM 695 C VAL A 98 5.015 0.157 3.035 1.00 0.00 C ATOM 696 O VAL A 98 5.680 0.115 4.070 1.00 0.00 O ATOM 697 CB VAL A 98 3.302 -1.429 2.445 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.429 -1.285 1.194 1.00 0.00 C ATOM 699 CG2 VAL A 98 3.132 -2.748 3.162 1.00 0.00 C ATOM 0 H VAL A 98 5.417 -2.587 3.478 1.00 0.00 H new ATOM 0 HA VAL A 98 4.935 -0.942 1.146 1.00 0.00 H new ATOM 0 HB VAL A 98 2.914 -0.674 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.402 -1.562 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.455 -0.251 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.808 -1.939 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.070 -2.956 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.587 -3.544 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.616 -2.697 4.137 1.00 0.00 H new ATOM 709 N PHE A 99 4.343 1.250 2.646 1.00 0.00 N ATOM 710 CA PHE A 99 4.486 2.486 3.342 1.00 0.00 C ATOM 711 C PHE A 99 3.303 3.316 2.993 1.00 0.00 C ATOM 712 O PHE A 99 2.579 3.025 2.041 1.00 0.00 O ATOM 713 CB PHE A 99 5.659 3.335 2.823 1.00 0.00 C ATOM 714 CG PHE A 99 6.939 2.692 3.234 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.538 1.737 2.430 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.693 3.185 4.316 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.870 1.421 2.580 1.00 0.00 C ATOM 718 CE2 PHE A 99 9.024 2.883 4.448 1.00 0.00 C ATOM 719 CZ PHE A 99 9.628 2.073 3.524 1.00 0.00 C ATOM 0 H PHE A 99 3.703 1.279 1.853 1.00 0.00 H new ATOM 0 HA PHE A 99 4.619 2.244 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.611 3.420 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.599 4.346 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.953 1.233 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.215 3.812 5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.319 0.662 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.592 3.281 5.275 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.700 1.946 3.537 1.00 0.00 H new ATOM 729 N ARG A 100 3.173 4.437 3.716 1.00 0.00 N ATOM 730 CA ARG A 100 2.242 5.448 3.366 1.00 0.00 C ATOM 731 C ARG A 100 3.075 6.667 3.106 1.00 0.00 C ATOM 732 O ARG A 100 4.117 6.862 3.735 1.00 0.00 O ATOM 733 CB ARG A 100 1.341 5.608 4.569 1.00 0.00 C ATOM 734 CG ARG A 100 0.771 7.003 4.765 1.00 0.00 C ATOM 735 CD ARG A 100 -0.263 7.028 5.890 1.00 0.00 C ATOM 736 NE ARG A 100 -1.057 8.288 5.782 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.516 9.491 6.119 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.775 9.593 6.485 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.298 10.591 6.126 1.00 0.00 N ATOM 0 H ARG A 100 3.721 4.641 4.552 1.00 0.00 H new ATOM 0 HA ARG A 100 1.623 5.241 2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.514 4.903 4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.901 5.332 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.578 7.699 4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.311 7.344 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.919 6.161 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.232 6.975 6.860 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.021 8.247 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.364 8.761 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.164 10.502 6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.285 10.517 5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.902 11.497 6.377 1.00 0.00 H new ATOM 753 N LEU A 101 2.678 7.471 2.107 1.00 0.00 N ATOM 754 CA LEU A 101 3.597 8.387 1.492 1.00 0.00 C ATOM 755 C LEU A 101 3.765 9.578 2.389 1.00 0.00 C ATOM 756 O LEU A 101 3.235 9.646 3.500 1.00 0.00 O ATOM 757 CB LEU A 101 3.101 8.889 0.126 1.00 0.00 C ATOM 758 CG LEU A 101 3.170 7.830 -0.977 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.872 8.388 -2.374 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.505 7.085 -1.011 1.00 0.00 C ATOM 0 H LEU A 101 1.733 7.491 1.725 1.00 0.00 H new ATOM 0 HA LEU A 101 4.536 7.855 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.071 9.231 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.696 9.752 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 101 2.383 7.124 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.938 7.585 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.868 8.813 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.598 9.164 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.490 6.348 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.314 7.795 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.664 6.580 -0.058 1.00 0.00 H new ATOM 772 N LEU A 102 4.513 10.577 1.882 1.00 0.00 N ATOM 773 CA LEU A 102 4.901 11.699 2.676 1.00 0.00 C ATOM 774 C LEU A 102 3.788 12.703 2.650 1.00 0.00 C ATOM 775 O LEU A 102 3.830 13.697 1.929 1.00 0.00 O ATOM 776 CB LEU A 102 6.217 12.333 2.231 1.00 0.00 C ATOM 777 CG LEU A 102 6.579 12.058 0.771 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.129 10.638 0.509 1.00 0.00 C ATOM 779 CD2 LEU A 102 5.525 12.555 -0.222 1.00 0.00 C ATOM 0 H LEU A 102 4.849 10.605 0.919 1.00 0.00 H new ATOM 0 HA LEU A 102 5.080 11.347 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.159 13.411 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.020 11.964 2.869 1.00 0.00 H new ATOM 0 HG LEU A 102 7.444 12.688 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.360 10.527 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.034 10.484 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.381 9.899 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.846 12.327 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.575 12.060 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.402 13.633 -0.113 1.00 0.00 H new ATOM 791 N HIS A 103 2.772 12.491 3.509 1.00 0.00 N ATOM 792 CA HIS A 103 1.687 13.424 3.594 1.00 0.00 C ATOM 793 C HIS A 103 1.918 14.268 4.812 1.00 0.00 C ATOM 794 O HIS A 103 1.221 15.253 5.045 1.00 0.00 O ATOM 795 CB HIS A 103 0.316 12.737 3.678 1.00 0.00 C ATOM 796 CG HIS A 103 -0.066 12.050 2.399 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.236 11.350 2.257 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.528 12.066 1.185 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.343 10.962 0.997 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.283 11.381 0.326 1.00 0.00 N ATOM 0 H HIS A 103 2.701 11.689 4.135 1.00 0.00 H new ATOM 0 HA HIS A 103 1.667 14.026 2.686 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.328 12.008 4.488 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.443 13.478 3.928 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.470 12.534 0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.163 10.395 0.583 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.102 11.220 -0.665 1.00 0.00 H new ATOM 809 N GLU A 104 2.938 13.901 5.616 1.00 0.00 N ATOM 810 CA GLU A 104 3.304 14.702 6.748 1.00 0.00 C ATOM 811 C GLU A 104 4.798 14.658 6.851 1.00 0.00 C ATOM 812 O GLU A 104 5.369 14.834 7.928 1.00 0.00 O ATOM 813 CB GLU A 104 2.733 14.197 8.085 1.00 0.00 C ATOM 814 CG GLU A 104 1.199 14.153 8.129 1.00 0.00 C ATOM 815 CD GLU A 104 0.726 12.873 7.447 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.506 11.881 7.400 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.431 12.851 6.947 1.00 0.00 O ATOM 0 H GLU A 104 3.502 13.061 5.485 1.00 0.00 H new ATOM 0 HA GLU A 104 2.899 15.701 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.121 13.197 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.091 14.841 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.850 14.182 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.781 15.025 7.626 1.00 0.00 H new ATOM 824 N HIS A 105 5.477 14.366 5.723 1.00 0.00 N ATOM 825 CA HIS A 105 6.909 14.268 5.740 1.00 0.00 C ATOM 826 C HIS A 105 7.403 14.900 4.473 1.00 0.00 C ATOM 827 O HIS A 105 6.650 15.567 3.763 1.00 0.00 O ATOM 828 CB HIS A 105 7.442 12.824 5.840 1.00 0.00 C ATOM 829 CG HIS A 105 6.437 11.849 6.384 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.950 11.931 7.661 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.910 10.736 5.833 1.00 0.00 C ATOM 832 CE1 HIS A 105 5.114 10.921 7.855 1.00 0.00 C ATOM 833 NE2 HIS A 105 5.072 10.181 6.759 1.00 0.00 N ATOM 0 H HIS A 105 5.045 14.200 4.814 1.00 0.00 H new ATOM 0 HA HIS A 105 7.274 14.772 6.635 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.759 12.493 4.851 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.326 12.815 6.477 1.00 0.00 H new ATOM 0 HD1 HIS A 105 6.190 12.647 8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.113 10.354 4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.557 10.733 8.761 1.00 0.00 H new ATOM 842 N LYS A 106 8.701 14.713 4.159 1.00 0.00 N ATOM 843 CA LYS A 106 9.254 15.326 2.989 1.00 0.00 C ATOM 844 C LYS A 106 9.856 14.247 2.154 1.00 0.00 C ATOM 845 O LYS A 106 9.414 13.989 1.037 1.00 0.00 O ATOM 846 CB LYS A 106 10.312 16.388 3.320 1.00 0.00 C ATOM 847 CG LYS A 106 9.729 17.794 3.493 1.00 0.00 C ATOM 848 CD LYS A 106 9.241 18.421 2.181 1.00 0.00 C ATOM 849 CE LYS A 106 7.809 18.960 2.255 1.00 0.00 C ATOM 850 NZ LYS A 106 6.851 17.868 2.099 1.00 0.00 N ATOM 0 H LYS A 106 9.355 14.150 4.703 1.00 0.00 H new ATOM 0 HA LYS A 106 8.457 15.845 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.829 16.102 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.058 16.407 2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.897 17.750 4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.487 18.441 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.913 19.234 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.299 17.676 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.650 19.460 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.652 19.705 1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.889 18.257 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.070 17.335 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.911 17.233 2.921 1.00 0.00 H new ATOM 864 N GLY A 107 10.892 13.591 2.695 1.00 0.00 N ATOM 865 CA GLY A 107 11.606 12.591 1.951 1.00 0.00 C ATOM 866 C GLY A 107 11.668 11.366 2.801 1.00 0.00 C ATOM 867 O GLY A 107 12.727 10.762 2.952 1.00 0.00 O ATOM 0 H GLY A 107 11.239 13.747 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 107 11.101 12.380 1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.609 12.939 1.704 1.00 0.00 H new ATOM 871 N LYS A 108 10.509 10.959 3.350 1.00 0.00 N ATOM 872 CA LYS A 108 10.458 9.793 4.170 1.00 0.00 C ATOM 873 C LYS A 108 9.067 9.280 4.084 1.00 0.00 C ATOM 874 O LYS A 108 8.110 10.050 4.035 1.00 0.00 O ATOM 875 CB LYS A 108 10.766 10.066 5.638 1.00 0.00 C ATOM 876 CG LYS A 108 12.253 10.302 5.896 1.00 0.00 C ATOM 877 CD LYS A 108 12.741 9.705 7.217 1.00 0.00 C ATOM 878 CE LYS A 108 14.207 10.022 7.521 1.00 0.00 C ATOM 879 NZ LYS A 108 14.596 9.415 8.791 1.00 0.00 N ATOM 0 H LYS A 108 9.615 11.434 3.226 1.00 0.00 H new ATOM 0 HA LYS A 108 11.212 9.091 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.202 10.939 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.427 9.222 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.829 9.873 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.449 11.374 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.119 10.082 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.609 8.623 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.843 9.646 6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.353 11.101 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.593 9.635 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.999 9.793 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.474 8.384 8.735 1.00 0.00 H new ATOM 893 N LYS A 109 8.941 7.950 4.023 1.00 0.00 N ATOM 894 CA LYS A 109 7.658 7.342 3.937 1.00 0.00 C ATOM 895 C LYS A 109 7.409 6.683 5.250 1.00 0.00 C ATOM 896 O LYS A 109 8.327 6.165 5.885 1.00 0.00 O ATOM 897 CB LYS A 109 7.643 6.324 2.807 1.00 0.00 C ATOM 898 CG LYS A 109 7.444 6.935 1.424 1.00 0.00 C ATOM 899 CD LYS A 109 7.496 5.892 0.316 1.00 0.00 C ATOM 900 CE LYS A 109 8.894 5.720 -0.277 1.00 0.00 C ATOM 901 NZ LYS A 109 9.115 6.711 -1.326 1.00 0.00 N ATOM 0 H LYS A 109 9.724 7.297 4.033 1.00 0.00 H new ATOM 0 HA LYS A 109 6.880 8.076 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.583 5.772 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.847 5.603 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.483 7.448 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.213 7.687 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.154 4.935 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.804 6.177 -0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 109 9.646 5.831 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 109 9.004 4.715 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.992 6.485 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.314 6.699 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.197 7.656 -0.899 1.00 0.00 H new ATOM 915 N ALA A 110 6.148 6.727 5.708 1.00 0.00 N ATOM 916 CA ALA A 110 5.801 6.100 6.953 1.00 0.00 C ATOM 917 C ALA A 110 5.567 4.662 6.650 1.00 0.00 C ATOM 918 O ALA A 110 4.889 4.337 5.686 1.00 0.00 O ATOM 919 CB ALA A 110 4.544 6.655 7.630 1.00 0.00 C ATOM 0 H ALA A 110 5.375 7.188 5.229 1.00 0.00 H new ATOM 0 HA ALA A 110 6.618 6.286 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.365 6.118 8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.683 7.715 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.688 6.528 6.968 1.00 0.00 H new ATOM 925 N ARG A 111 6.217 3.762 7.410 1.00 0.00 N ATOM 926 CA ARG A 111 6.325 2.415 6.965 1.00 0.00 C ATOM 927 C ARG A 111 5.254 1.626 7.626 1.00 0.00 C ATOM 928 O ARG A 111 4.883 1.877 8.771 1.00 0.00 O ATOM 929 CB ARG A 111 7.690 1.883 7.341 1.00 0.00 C ATOM 930 CG ARG A 111 7.946 0.454 6.881 1.00 0.00 C ATOM 931 CD ARG A 111 7.957 -0.529 8.047 1.00 0.00 C ATOM 932 NE ARG A 111 8.090 -1.910 7.491 1.00 0.00 N ATOM 933 CZ ARG A 111 9.265 -2.330 6.940 1.00 0.00 C ATOM 934 NH1 ARG A 111 10.335 -1.512 6.884 1.00 0.00 N ATOM 935 NH2 ARG A 111 9.367 -3.585 6.447 1.00 0.00 N ATOM 0 H ARG A 111 6.656 3.963 8.309 1.00 0.00 H new ATOM 0 HA ARG A 111 6.212 2.346 5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.453 2.534 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.801 1.931 8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.177 0.160 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.901 0.407 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.784 -0.309 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.039 -0.440 8.628 1.00 0.00 H new ATOM 0 HE ARG A 111 7.293 -2.546 7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.273 -0.565 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.207 -1.840 6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.566 -4.216 6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.245 -3.901 6.035 1.00 0.00 H new ATOM 949 N LEU A 112 4.770 0.621 6.884 1.00 0.00 N ATOM 950 CA LEU A 112 3.509 0.029 7.179 1.00 0.00 C ATOM 951 C LEU A 112 3.730 -1.389 7.552 1.00 0.00 C ATOM 952 O LEU A 112 4.807 -1.952 7.353 1.00 0.00 O ATOM 953 CB LEU A 112 2.673 0.026 5.902 1.00 0.00 C ATOM 954 CG LEU A 112 1.835 1.289 5.730 1.00 0.00 C ATOM 955 CD1 LEU A 112 2.428 2.534 6.391 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.052 1.347 4.426 1.00 0.00 C ATOM 0 H LEU A 112 5.251 0.218 6.080 1.00 0.00 H new ATOM 0 HA LEU A 112 3.016 0.578 7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.334 -0.083 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.013 -0.842 5.909 1.00 0.00 H new ATOM 0 HG LEU A 112 0.959 1.239 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.769 3.385 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.530 2.363 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.408 2.742 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.484 2.276 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.743 1.306 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.367 0.500 4.375 1.00 0.00 H new ATOM 968 N ASP A 113 2.643 -1.999 8.053 1.00 0.00 N ATOM 969 CA ASP A 113 2.622 -3.408 8.317 1.00 0.00 C ATOM 970 C ASP A 113 2.055 -4.074 7.095 1.00 0.00 C ATOM 971 O ASP A 113 1.668 -3.408 6.142 1.00 0.00 O ATOM 972 CB ASP A 113 1.763 -3.757 9.547 1.00 0.00 C ATOM 973 CG ASP A 113 2.070 -5.188 9.965 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.230 -5.448 10.375 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.164 -6.049 9.806 1.00 0.00 O ATOM 0 H ASP A 113 1.773 -1.516 8.277 1.00 0.00 H new ATOM 0 HA ASP A 113 3.633 -3.752 8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.978 -3.070 10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.704 -3.651 9.311 1.00 0.00 H new ATOM 980 N TRP A 114 2.088 -5.423 7.064 1.00 0.00 N ATOM 981 CA TRP A 114 1.567 -6.146 5.956 1.00 0.00 C ATOM 982 C TRP A 114 0.185 -6.618 6.311 1.00 0.00 C ATOM 983 O TRP A 114 -0.483 -7.274 5.513 1.00 0.00 O ATOM 984 CB TRP A 114 2.510 -7.333 5.639 1.00 0.00 C ATOM 985 CG TRP A 114 3.447 -7.062 4.481 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.748 -7.398 4.251 1.00 0.00 C ATOM 987 CD2 TRP A 114 2.990 -6.408 3.309 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.125 -6.961 2.992 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.035 -6.363 2.385 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.726 -6.063 3.039 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.743 -5.830 1.132 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.460 -5.506 1.816 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.430 -5.466 0.839 1.00 0.00 C ATOM 0 H TRP A 114 2.476 -6.004 7.807 1.00 0.00 H new ATOM 0 HA TRP A 114 1.506 -5.519 5.067 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.098 -7.567 6.526 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.910 -8.214 5.413 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.387 -7.924 4.944 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.053 -7.063 2.580 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.940 -6.219 3.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.524 -5.700 0.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.482 -5.095 1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.171 -5.150 -0.161 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.328 -6.166 7.470 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.711 -6.364 7.791 1.00 0.00 C ATOM 1006 C ASN A 115 -2.223 -5.037 8.249 1.00 0.00 C ATOM 1007 O ASN A 115 -3.038 -4.935 9.166 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.864 -7.351 8.958 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.706 -8.527 8.488 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.180 -9.550 8.050 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -4.048 -8.386 8.589 1.00 0.00 N ATOM 0 H ASN A 115 0.208 -5.667 8.180 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.247 -6.757 6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.886 -7.696 9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.338 -6.861 9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.664 -9.145 8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.444 -7.521 8.958 1.00 0.00 H new ATOM 1018 N THR A 116 -1.790 -3.963 7.561 1.00 0.00 N ATOM 1019 CA THR A 116 -1.793 -2.664 8.173 1.00 0.00 C ATOM 1020 C THR A 116 -3.176 -2.060 8.079 1.00 0.00 C ATOM 1021 O THR A 116 -3.378 -0.990 8.648 1.00 0.00 O ATOM 1022 CB THR A 116 -0.636 -1.726 7.773 1.00 0.00 C ATOM 1023 OG1 THR A 116 0.057 -1.281 8.931 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.047 -0.429 7.070 1.00 0.00 C ATOM 0 H THR A 116 -1.444 -3.989 6.602 1.00 0.00 H new ATOM 0 HA THR A 116 -1.564 -2.809 9.229 1.00 0.00 H new ATOM 0 HB THR A 116 -0.047 -2.338 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.389 -0.371 8.784 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.157 0.155 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.580 -0.667 6.149 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.697 0.150 7.726 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.093 -2.719 7.323 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.484 -2.356 7.283 1.00 0.00 C ATOM 1034 C ASP A 117 -5.803 -1.934 5.889 1.00 0.00 C ATOM 1035 O ASP A 117 -6.743 -2.443 5.289 1.00 0.00 O ATOM 1036 CB ASP A 117 -5.854 -1.275 8.283 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.361 -1.291 8.508 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -7.938 -2.403 8.630 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.937 -0.179 8.635 1.00 0.00 O ATOM 0 H ASP A 117 -3.860 -3.517 6.731 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.079 -3.222 7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -5.332 -1.442 9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.540 -0.299 7.913 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.064 -0.932 5.388 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.321 -0.372 4.083 1.00 0.00 C ATOM 1046 C ALA A 118 -6.500 0.549 4.207 1.00 0.00 C ATOM 1047 O ALA A 118 -6.540 1.612 3.599 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.573 -1.350 2.907 1.00 0.00 C ATOM 0 H ALA A 118 -4.283 -0.501 5.882 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.388 0.119 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.751 -0.782 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.701 -1.990 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.445 -1.966 3.127 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.403 0.219 5.146 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.634 0.931 5.300 1.00 0.00 C ATOM 1056 C ALA A 119 -8.419 2.004 6.323 1.00 0.00 C ATOM 1057 O ALA A 119 -9.257 2.885 6.499 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.415 -0.230 5.957 1.00 0.00 C ATOM 0 H ALA A 119 -7.279 -0.549 5.806 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.073 1.400 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.432 0.094 6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.444 -1.081 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.920 -0.523 6.883 1.00 0.00 H new ATOM 1064 N SER A 120 -7.247 1.993 6.990 1.00 0.00 N ATOM 1065 CA SER A 120 -6.932 3.047 7.915 1.00 0.00 C ATOM 1066 C SER A 120 -6.024 4.000 7.202 1.00 0.00 C ATOM 1067 O SER A 120 -5.723 5.083 7.700 1.00 0.00 O ATOM 1068 CB SER A 120 -6.228 2.577 9.195 1.00 0.00 C ATOM 1069 OG SER A 120 -7.103 1.769 9.970 1.00 0.00 O ATOM 0 H SER A 120 -6.531 1.273 6.894 1.00 0.00 H new ATOM 0 HA SER A 120 -7.873 3.495 8.233 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.332 2.012 8.939 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.906 3.439 9.779 1.00 0.00 H new ATOM 0 HG SER A 120 -7.701 1.270 9.375 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.562 3.590 6.005 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.694 4.412 5.210 1.00 0.00 C ATOM 1077 C LEU A 121 -5.524 4.931 4.104 1.00 0.00 C ATOM 1078 O LEU A 121 -5.019 5.492 3.136 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.561 3.581 4.597 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.758 2.804 5.640 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.591 3.585 6.944 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.392 1.459 6.000 1.00 0.00 C ATOM 0 H LEU A 121 -5.789 2.688 5.586 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.254 5.198 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.981 2.881 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.890 4.241 4.048 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.790 2.641 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.014 2.991 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.068 4.520 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.572 3.802 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.776 0.954 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.390 1.624 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.462 0.839 5.106 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.840 4.752 4.274 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.775 4.997 3.216 1.00 0.00 C ATOM 1096 C ILE A 122 -7.787 6.465 2.924 1.00 0.00 C ATOM 1097 O ILE A 122 -7.796 7.304 3.823 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.185 4.465 3.503 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.858 3.829 2.287 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.152 5.482 4.137 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.454 2.376 2.038 1.00 0.00 C ATOM 0 H ILE A 122 -7.264 4.436 5.146 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.445 4.441 2.339 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.990 3.694 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.939 3.877 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.617 4.418 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.121 5.010 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.748 5.822 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.272 6.335 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.975 1.999 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.378 2.321 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.720 1.771 2.904 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.727 6.782 1.621 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.835 8.144 1.175 1.00 0.00 C ATOM 1115 C GLY A 123 -6.446 8.695 1.008 1.00 0.00 C ATOM 1116 O GLY A 123 -6.273 9.855 0.636 1.00 0.00 O ATOM 0 H GLY A 123 -7.604 6.100 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.379 8.193 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.395 8.737 1.898 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.413 7.855 1.223 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.066 8.349 1.233 1.00 0.00 C ATOM 1122 C GLU A 124 -3.362 7.782 0.034 1.00 0.00 C ATOM 1123 O GLU A 124 -3.986 7.325 -0.924 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.291 7.920 2.485 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.060 8.153 3.792 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.677 9.520 4.349 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.285 10.424 3.557 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.693 9.679 5.601 1.00 0.00 O ATOM 0 H GLU A 124 -5.506 6.853 1.387 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.104 9.438 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.042 6.862 2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.349 8.467 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.134 8.106 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.823 7.371 4.514 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.016 7.764 0.093 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.233 7.241 -0.987 1.00 0.00 C ATOM 1137 C GLU A 125 -0.205 6.345 -0.391 1.00 0.00 C ATOM 1138 O GLU A 125 0.421 6.691 0.613 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.518 8.318 -1.805 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.435 8.989 -2.832 1.00 0.00 C ATOM 1141 CD GLU A 125 -1.128 10.483 -2.883 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.188 10.949 -2.177 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -1.868 11.212 -3.599 1.00 0.00 O ATOM 0 H GLU A 125 -1.472 8.110 0.884 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.908 6.726 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.120 9.076 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.332 7.872 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.287 8.542 -3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.479 8.830 -2.563 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.007 5.171 -1.020 1.00 0.00 N ATOM 1151 CA LEU A 126 0.900 4.202 -0.485 1.00 0.00 C ATOM 1152 C LEU A 126 2.028 4.029 -1.454 1.00 0.00 C ATOM 1153 O LEU A 126 1.985 4.516 -2.581 1.00 0.00 O ATOM 1154 CB LEU A 126 0.269 2.821 -0.270 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.407 2.671 1.092 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.821 3.233 1.130 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.296 1.258 1.666 1.00 0.00 C ATOM 0 H LEU A 126 -0.468 4.895 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 126 1.222 4.576 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.465 2.639 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.040 2.057 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 126 0.166 3.303 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.241 3.093 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.796 4.297 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.439 2.712 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.796 1.218 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.768 0.550 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.755 0.997 1.790 1.00 0.00 H new ATOM 1169 N GLN A 127 3.050 3.264 -1.024 1.00 0.00 N ATOM 1170 CA GLN A 127 4.116 2.883 -1.903 1.00 0.00 C ATOM 1171 C GLN A 127 4.697 1.619 -1.350 1.00 0.00 C ATOM 1172 O GLN A 127 4.448 1.268 -0.197 1.00 0.00 O ATOM 1173 CB GLN A 127 5.241 3.927 -2.025 1.00 0.00 C ATOM 1174 CG GLN A 127 6.276 3.599 -3.112 1.00 0.00 C ATOM 1175 CD GLN A 127 7.287 4.737 -3.186 1.00 0.00 C ATOM 1176 OE1 GLN A 127 6.935 5.916 -3.102 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.592 4.388 -3.366 1.00 0.00 N ATOM 0 H GLN A 127 3.139 2.910 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 127 3.700 2.773 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.799 4.900 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.750 4.012 -1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.780 2.660 -2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.783 3.469 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.852 3.404 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.308 5.111 -3.435 1.00 0.00 H new ATOM 1186 N VAL A 128 5.471 0.895 -2.179 1.00 0.00 N ATOM 1187 CA VAL A 128 6.120 -0.297 -1.722 1.00 0.00 C ATOM 1188 C VAL A 128 7.591 -0.100 -1.933 1.00 0.00 C ATOM 1189 O VAL A 128 8.016 0.701 -2.764 1.00 0.00 O ATOM 1190 CB VAL A 128 5.652 -1.540 -2.494 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.476 -2.798 -2.204 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.209 -1.935 -2.180 1.00 0.00 C ATOM 0 H VAL A 128 5.647 1.131 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 128 5.876 -0.466 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 128 5.769 -1.227 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.084 -3.632 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.517 -2.622 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.415 -3.036 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.940 -2.820 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.115 -2.153 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.542 -1.114 -2.442 1.00 0.00 H new ATOM 1202 N ASP A 129 8.417 -0.810 -1.141 1.00 0.00 N ATOM 1203 CA ASP A 129 9.839 -0.726 -1.304 1.00 0.00 C ATOM 1204 C ASP A 129 10.428 -1.982 -0.729 1.00 0.00 C ATOM 1205 O ASP A 129 9.749 -2.997 -0.611 1.00 0.00 O ATOM 1206 CB ASP A 129 10.456 0.521 -0.639 1.00 0.00 C ATOM 1207 CG ASP A 129 11.383 1.185 -1.648 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.401 0.543 -2.016 1.00 0.00 O ATOM 1209 OD2 ASP A 129 11.066 2.323 -2.089 1.00 0.00 O ATOM 0 H ASP A 129 8.107 -1.435 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 129 10.067 -0.627 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.673 1.213 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.008 0.240 0.258 1.00 0.00 H new ATOM 1214 N PHE A 130 11.728 -1.940 -0.364 1.00 0.00 N ATOM 1215 CA PHE A 130 12.416 -3.127 0.066 1.00 0.00 C ATOM 1216 C PHE A 130 11.873 -3.528 1.414 1.00 0.00 C ATOM 1217 O PHE A 130 11.265 -2.728 2.117 1.00 0.00 O ATOM 1218 CB PHE A 130 13.945 -2.955 0.155 1.00 0.00 C ATOM 1219 CG PHE A 130 14.234 -1.544 0.553 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.053 -1.113 1.859 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.727 -0.623 -0.381 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.327 0.196 2.221 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.008 0.680 -0.014 1.00 0.00 C ATOM 1224 CZ PHE A 130 14.806 1.091 1.289 1.00 0.00 C ATOM 0 H PHE A 130 12.298 -1.094 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 130 12.240 -3.898 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.364 -3.649 0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.410 -3.182 -0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.694 -1.807 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.890 -0.935 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 130 14.164 0.517 3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.386 1.377 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.022 2.109 1.576 1.00 0.00 H new ATOM 1234 N LEU A 131 12.174 -4.778 1.830 1.00 0.00 N ATOM 1235 CA LEU A 131 11.546 -5.352 2.988 1.00 0.00 C ATOM 1236 C LEU A 131 12.189 -4.793 4.219 1.00 0.00 C ATOM 1237 O LEU A 131 11.647 -4.896 5.319 1.00 0.00 O ATOM 1238 CB LEU A 131 11.665 -6.882 3.042 1.00 0.00 C ATOM 1239 CG LEU A 131 12.872 -7.450 2.281 1.00 0.00 C ATOM 1240 CD1 LEU A 131 14.227 -6.998 2.842 1.00 0.00 C ATOM 1241 CD2 LEU A 131 12.886 -8.982 2.235 1.00 0.00 C ATOM 0 H LEU A 131 12.848 -5.388 1.367 1.00 0.00 H new ATOM 0 HA LEU A 131 10.487 -5.101 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 131 11.729 -7.193 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 131 10.754 -7.320 2.634 1.00 0.00 H new ATOM 0 HG LEU A 131 12.744 -7.045 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 131 15.030 -7.440 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 131 14.297 -5.911 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 131 14.318 -7.321 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 131 13.763 -9.321 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 131 12.921 -9.376 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 131 11.984 -9.339 1.738 1.00 0.00 H new ATOM 1253 N ASP A 132 13.349 -4.150 4.039 1.00 0.00 N ATOM 1254 CA ASP A 132 14.192 -3.787 5.146 1.00 0.00 C ATOM 1255 C ASP A 132 13.381 -2.880 6.106 1.00 0.00 C ATOM 1256 O ASP A 132 13.665 -2.922 7.331 1.00 0.00 O ATOM 1257 CB ASP A 132 15.461 -3.025 4.735 1.00 0.00 C ATOM 1258 CG ASP A 132 16.286 -3.928 3.830 1.00 0.00 C ATOM 1259 OD1 ASP A 132 15.866 -4.132 2.661 1.00 0.00 O ATOM 1260 OD2 ASP A 132 17.337 -4.436 4.303 1.00 0.00 O ATOM 1261 OXT ASP A 132 12.523 -2.092 5.620 1.00 0.00 O ATOM 0 H ASP A 132 13.712 -3.876 3.126 1.00 0.00 H new ATOM 0 HA ASP A 132 14.510 -4.718 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 132 15.199 -2.103 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 132 16.037 -2.742 5.616 1.00 0.00 H new TER 1266 ASP A 132