USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 848 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 130 HIS : no HE2:sc= 1.06 K(o=2.1,f=-3.4) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 1.09 K(o=2.1,f=-7.4!) USER MOD Set 2.1: A 4 THR OG1 : rot -81:sc= 0.678 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.605 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.446 USER MOD Set 3.2: A 100 THR OG1 : rot -70:sc= 0.486 USER MOD Set 4.1: A 20 TYR OH : rot 30:sc= 0.315 USER MOD Set 4.2: A 81 TYR OH : rot -26:sc= 0.583 USER MOD Set 5.1: A 7 THR OG1 : rot -135:sc= 0.421 USER MOD Set 5.2: A 121 GLN : amide:sc= 0.59 K(o=1.7,f=-1.9!) USER MOD Set 5.3: A 125 ASN : amide:sc= 0.701 K(o=1.7,f=-3.2) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0333 (180deg=-0.343) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00385 (180deg=-0.181) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -69:sc= 0.0274 USER MOD Single : A 22 THR OG1 : rot 68:sc= 1.18 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 34:sc= 0.368 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 120:sc= 0 USER MOD Single : A 71 THR OG1 : rot 162:sc= 0.317 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0.7 (180deg=0.627) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.21) USER MOD Single : A 116 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.46) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 126 ASN : amide:sc= -0.0445 K(o=-0.044,f=-1.3!) USER MOD Single : A 128 LYS NZ :NH3+ -174:sc= 0.883 (180deg=0.859) USER MOD Single : A 133 SER OG : rot 68:sc= 0.545 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.501 13.463 13.709 1.00 0.00 N ATOM 2 CA MET A 1 -0.813 13.851 12.483 1.00 0.00 C ATOM 3 C MET A 1 -1.208 12.938 11.326 1.00 0.00 C ATOM 4 O MET A 1 -1.020 11.724 11.389 1.00 0.00 O ATOM 5 CB MET A 1 0.700 13.820 12.692 1.00 0.00 C ATOM 6 CG MET A 1 1.214 14.819 13.719 1.00 0.00 C ATOM 7 SD MET A 1 0.931 16.531 13.225 1.00 0.00 S ATOM 8 CE MET A 1 2.073 16.680 11.853 1.00 0.00 C ATOM 0 H1 MET A 1 -1.381 14.207 14.425 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.514 13.332 13.512 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.100 12.572 14.065 1.00 0.00 H new ATOM 0 HA MET A 1 -1.112 14.868 12.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.991 12.816 13.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.190 14.014 11.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.725 14.635 14.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.282 14.661 13.872 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.216 17.733 11.611 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.031 16.238 12.127 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.668 16.160 10.985 1.00 0.00 H new ATOM 20 N ASN A 2 -1.757 13.531 10.272 1.00 0.00 N ATOM 21 CA ASN A 2 -2.041 12.797 9.044 1.00 0.00 C ATOM 22 C ASN A 2 -0.946 13.025 8.007 1.00 0.00 C ATOM 23 O ASN A 2 -0.559 14.163 7.740 1.00 0.00 O ATOM 24 CB ASN A 2 -3.397 13.171 8.473 1.00 0.00 C ATOM 25 CG ASN A 2 -4.553 12.784 9.351 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.796 11.598 9.604 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.314 13.770 9.751 1.00 0.00 N ATOM 0 H ASN A 2 -2.014 14.518 10.243 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.064 11.737 9.296 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.425 14.248 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.516 12.693 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.153 13.577 10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.069 14.732 9.515 1.00 0.00 H new ATOM 34 N ILE A 3 -0.455 11.938 7.424 1.00 0.00 N ATOM 35 CA ILE A 3 0.563 12.022 6.383 1.00 0.00 C ATOM 36 C ILE A 3 -0.026 11.703 5.013 1.00 0.00 C ATOM 37 O ILE A 3 -0.697 10.685 4.834 1.00 0.00 O ATOM 38 CB ILE A 3 1.738 11.068 6.663 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.411 11.426 7.991 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.744 11.116 5.523 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.427 10.407 8.454 1.00 0.00 C ATOM 0 H ILE A 3 -0.745 10.988 7.654 1.00 0.00 H new ATOM 0 HA ILE A 3 0.934 13.047 6.386 1.00 0.00 H new ATOM 0 HB ILE A 3 1.351 10.052 6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.901 12.394 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.645 11.536 8.758 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.569 10.436 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.257 10.816 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.128 12.131 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.861 10.730 9.401 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.939 9.442 8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.215 10.314 7.707 1.00 0.00 H new ATOM 53 N THR A 4 0.232 12.578 4.046 1.00 0.00 N ATOM 54 CA THR A 4 -0.252 12.378 2.686 1.00 0.00 C ATOM 55 C THR A 4 0.906 12.279 1.699 1.00 0.00 C ATOM 56 O THR A 4 1.815 13.110 1.707 1.00 0.00 O ATOM 57 CB THR A 4 -1.192 13.517 2.247 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.333 13.559 3.114 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.656 13.304 0.815 1.00 0.00 C ATOM 0 H THR A 4 0.773 13.432 4.180 1.00 0.00 H new ATOM 0 HA THR A 4 -0.808 11.441 2.685 1.00 0.00 H new ATOM 0 HB THR A 4 -0.648 14.460 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.984 12.884 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.319 14.118 0.522 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.791 13.284 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.191 12.357 0.743 1.00 0.00 H new ATOM 67 N VAL A 5 0.868 11.259 0.848 1.00 0.00 N ATOM 68 CA VAL A 5 1.879 11.088 -0.188 1.00 0.00 C ATOM 69 C VAL A 5 1.239 10.773 -1.535 1.00 0.00 C ATOM 70 O VAL A 5 0.079 10.370 -1.603 1.00 0.00 O ATOM 71 CB VAL A 5 2.872 9.967 0.174 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.612 10.304 1.459 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.147 8.636 0.310 1.00 0.00 C ATOM 0 H VAL A 5 0.147 10.538 0.856 1.00 0.00 H new ATOM 0 HA VAL A 5 2.420 12.031 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 5 3.602 9.881 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.309 9.501 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.163 11.235 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.895 10.418 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.864 7.856 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.395 8.710 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.662 8.388 -0.634 1.00 0.00 H new ATOM 83 N GLU A 6 2.004 10.964 -2.606 1.00 0.00 N ATOM 84 CA GLU A 6 1.491 10.765 -3.956 1.00 0.00 C ATOM 85 C GLU A 6 2.566 10.179 -4.866 1.00 0.00 C ATOM 86 O GLU A 6 3.717 10.618 -4.850 1.00 0.00 O ATOM 87 CB GLU A 6 0.970 12.083 -4.533 1.00 0.00 C ATOM 88 CG GLU A 6 0.287 11.951 -5.886 1.00 0.00 C ATOM 89 CD GLU A 6 -0.265 13.269 -6.351 1.00 0.00 C ATOM 90 OE1 GLU A 6 -1.027 13.862 -5.625 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.159 13.740 -7.380 1.00 0.00 O ATOM 0 H GLU A 6 2.980 11.256 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 6 0.664 10.057 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.266 12.522 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.804 12.779 -4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.999 11.574 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.519 11.220 -5.819 1.00 0.00 H new ATOM 98 N THR A 7 2.184 9.185 -5.661 1.00 0.00 N ATOM 99 CA THR A 7 3.097 8.581 -6.623 1.00 0.00 C ATOM 100 C THR A 7 2.393 8.292 -7.943 1.00 0.00 C ATOM 101 O THR A 7 1.320 7.688 -7.968 1.00 0.00 O ATOM 102 CB THR A 7 3.706 7.275 -6.081 1.00 0.00 C ATOM 103 OG1 THR A 7 4.437 7.548 -4.878 1.00 0.00 O ATOM 104 CG2 THR A 7 4.641 6.656 -7.108 1.00 0.00 C ATOM 0 H THR A 7 1.248 8.781 -5.658 1.00 0.00 H new ATOM 0 HA THR A 7 3.898 9.301 -6.791 1.00 0.00 H new ATOM 0 HB THR A 7 2.897 6.575 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.299 7.082 -4.906 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.062 5.734 -6.708 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.085 6.435 -8.019 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.447 7.354 -7.334 1.00 0.00 H new ATOM 112 N THR A 8 3.004 8.727 -9.042 1.00 0.00 N ATOM 113 CA THR A 8 2.411 8.559 -10.362 1.00 0.00 C ATOM 114 C THR A 8 3.114 7.453 -11.144 1.00 0.00 C ATOM 115 O THR A 8 4.330 7.489 -11.329 1.00 0.00 O ATOM 116 CB THR A 8 2.466 9.864 -11.177 1.00 0.00 C ATOM 117 OG1 THR A 8 1.706 10.879 -10.509 1.00 0.00 O ATOM 118 CG2 THR A 8 1.898 9.647 -12.571 1.00 0.00 C ATOM 0 H THR A 8 3.909 9.198 -9.043 1.00 0.00 H new ATOM 0 HA THR A 8 1.368 8.284 -10.205 1.00 0.00 H new ATOM 0 HB THR A 8 3.507 10.176 -11.264 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.743 11.710 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.945 10.580 -13.132 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.481 8.884 -13.087 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.861 9.322 -12.495 1.00 0.00 H new ATOM 126 N VAL A 9 2.341 6.473 -11.599 1.00 0.00 N ATOM 127 CA VAL A 9 2.897 5.327 -12.308 1.00 0.00 C ATOM 128 C VAL A 9 2.269 5.175 -13.689 1.00 0.00 C ATOM 129 O VAL A 9 1.098 5.497 -13.887 1.00 0.00 O ATOM 130 CB VAL A 9 2.695 4.021 -11.516 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.359 4.118 -10.151 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.214 3.711 -11.367 1.00 0.00 C ATOM 0 H VAL A 9 1.327 6.450 -11.489 1.00 0.00 H new ATOM 0 HA VAL A 9 3.965 5.513 -12.417 1.00 0.00 H new ATOM 0 HB VAL A 9 3.163 3.207 -12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.206 3.187 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.427 4.293 -10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.920 4.943 -9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.091 2.785 -10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.723 4.526 -10.835 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.765 3.599 -12.354 1.00 0.00 H new ATOM 142 N ALA A 10 3.056 4.686 -14.640 1.00 0.00 N ATOM 143 CA ALA A 10 2.573 4.476 -16.000 1.00 0.00 C ATOM 144 C ALA A 10 1.955 3.091 -16.156 1.00 0.00 C ATOM 145 O ALA A 10 2.550 2.201 -16.762 1.00 0.00 O ATOM 146 CB ALA A 10 3.705 4.667 -16.998 1.00 0.00 C ATOM 0 H ALA A 10 4.032 4.427 -14.495 1.00 0.00 H new ATOM 0 HA ALA A 10 1.798 5.215 -16.201 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.330 4.507 -18.009 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.098 5.680 -16.913 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.500 3.951 -16.788 1.00 0.00 H new ATOM 152 N ALA A 11 0.759 2.918 -15.605 1.00 0.00 N ATOM 153 CA ALA A 11 0.039 1.655 -15.724 1.00 0.00 C ATOM 154 C ALA A 11 -1.466 1.866 -15.600 1.00 0.00 C ATOM 155 O ALA A 11 -1.935 2.764 -14.899 1.00 0.00 O ATOM 156 CB ALA A 11 0.524 0.669 -14.671 1.00 0.00 C ATOM 0 H ALA A 11 0.268 3.635 -15.072 1.00 0.00 H new ATOM 0 HA ALA A 11 0.241 1.243 -16.713 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.022 -0.269 -14.772 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.590 0.485 -14.808 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.352 1.084 -13.678 1.00 0.00 H new ATOM 162 N PRO A 12 -2.242 1.022 -16.297 1.00 0.00 N ATOM 163 CA PRO A 12 -3.708 1.072 -16.247 1.00 0.00 C ATOM 164 C PRO A 12 -4.241 1.002 -14.822 1.00 0.00 C ATOM 165 O PRO A 12 -3.677 0.317 -13.969 1.00 0.00 O ATOM 166 CB PRO A 12 -4.146 -0.138 -17.079 1.00 0.00 C ATOM 167 CG PRO A 12 -3.010 -0.376 -18.014 1.00 0.00 C ATOM 168 CD PRO A 12 -1.770 -0.043 -17.230 1.00 0.00 C ATOM 0 HA PRO A 12 -4.100 2.012 -16.635 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.331 -1.008 -16.449 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.070 0.065 -17.620 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.993 -1.411 -18.356 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.094 0.251 -18.902 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.387 -0.910 -16.692 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.967 0.312 -17.876 1.00 0.00 H new ATOM 176 N VAL A 13 -5.335 1.716 -14.570 1.00 0.00 N ATOM 177 CA VAL A 13 -5.852 1.869 -13.214 1.00 0.00 C ATOM 178 C VAL A 13 -6.151 0.512 -12.584 1.00 0.00 C ATOM 179 O VAL A 13 -5.851 0.281 -11.414 1.00 0.00 O ATOM 180 CB VAL A 13 -7.130 2.728 -13.190 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.755 2.715 -11.803 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.822 4.154 -13.620 1.00 0.00 C ATOM 0 H VAL A 13 -5.879 2.197 -15.286 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.077 2.373 -12.636 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.844 2.302 -13.895 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.657 3.327 -11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.011 1.692 -11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.045 3.117 -11.080 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.737 4.747 -13.597 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.090 4.589 -12.939 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.418 4.150 -14.632 1.00 0.00 H new ATOM 192 N GLY A 14 -6.742 -0.383 -13.370 1.00 0.00 N ATOM 193 CA GLY A 14 -7.103 -1.693 -12.861 1.00 0.00 C ATOM 194 C GLY A 14 -5.894 -2.515 -12.467 1.00 0.00 C ATOM 195 O GLY A 14 -5.899 -3.188 -11.436 1.00 0.00 O ATOM 0 H GLY A 14 -6.977 -0.224 -14.350 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.756 -1.576 -11.996 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.672 -2.230 -13.620 1.00 0.00 H new ATOM 199 N LYS A 15 -4.852 -2.464 -13.290 1.00 0.00 N ATOM 200 CA LYS A 15 -3.613 -3.175 -13.001 1.00 0.00 C ATOM 201 C LYS A 15 -2.910 -2.572 -11.788 1.00 0.00 C ATOM 202 O LYS A 15 -2.344 -3.292 -10.966 1.00 0.00 O ATOM 203 CB LYS A 15 -2.683 -3.151 -14.217 1.00 0.00 C ATOM 204 CG LYS A 15 -3.154 -4.005 -15.386 1.00 0.00 C ATOM 205 CD LYS A 15 -2.149 -3.982 -16.527 1.00 0.00 C ATOM 206 CE LYS A 15 -2.630 -4.816 -17.706 1.00 0.00 C ATOM 207 NZ LYS A 15 -1.654 -4.805 -18.831 1.00 0.00 N ATOM 0 H LYS A 15 -4.841 -1.937 -14.163 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.864 -4.211 -12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.575 -2.121 -14.556 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.694 -3.491 -13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.305 -5.032 -15.052 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.118 -3.640 -15.740 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.985 -2.954 -16.849 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.190 -4.363 -16.177 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.796 -5.843 -17.380 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.589 -4.433 -18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.020 -5.385 -19.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.514 -3.828 -19.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.746 -5.195 -18.507 1.00 0.00 H new ATOM 221 N VAL A 16 -2.953 -1.248 -11.682 1.00 0.00 N ATOM 222 CA VAL A 16 -2.342 -0.550 -10.558 1.00 0.00 C ATOM 223 C VAL A 16 -3.034 -0.906 -9.247 1.00 0.00 C ATOM 224 O VAL A 16 -2.378 -1.194 -8.245 1.00 0.00 O ATOM 225 CB VAL A 16 -2.382 0.978 -10.751 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.957 1.687 -9.475 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.491 1.391 -11.912 1.00 0.00 C ATOM 0 H VAL A 16 -3.405 -0.637 -12.362 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.302 -0.873 -10.516 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.406 1.270 -10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.991 2.765 -9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.634 1.415 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.941 1.390 -9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.531 2.473 -12.034 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.464 1.087 -11.709 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.838 0.909 -12.826 1.00 0.00 H new ATOM 237 N TRP A 17 -4.362 -0.886 -9.262 1.00 0.00 N ATOM 238 CA TRP A 17 -5.144 -1.238 -8.082 1.00 0.00 C ATOM 239 C TRP A 17 -4.883 -2.682 -7.668 1.00 0.00 C ATOM 240 O TRP A 17 -4.682 -2.971 -6.489 1.00 0.00 O ATOM 241 CB TRP A 17 -6.635 -1.035 -8.355 1.00 0.00 C ATOM 242 CG TRP A 17 -7.500 -1.301 -7.159 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.932 -0.387 -6.241 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.033 -2.566 -6.752 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.703 -1.007 -5.288 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.781 -2.343 -5.579 1.00 0.00 C ATOM 247 CE3 TRP A 17 -7.955 -3.863 -7.265 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.443 -3.371 -4.912 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -8.611 -4.882 -6.602 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.348 -4.632 -5.436 1.00 0.00 C ATOM 0 H TRP A 17 -4.919 -0.630 -10.077 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.839 -0.584 -7.265 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.799 -0.012 -8.693 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.941 -1.692 -9.169 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.701 0.668 -6.261 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.146 -0.547 -4.493 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.392 -4.065 -8.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.011 -3.180 -4.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.555 -5.889 -6.989 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.851 -5.450 -4.942 1.00 0.00 H new ATOM 261 N ARG A 18 -4.886 -3.584 -8.643 1.00 0.00 N ATOM 262 CA ARG A 18 -4.698 -5.003 -8.373 1.00 0.00 C ATOM 263 C ARG A 18 -3.288 -5.278 -7.858 1.00 0.00 C ATOM 264 O ARG A 18 -3.096 -6.079 -6.945 1.00 0.00 O ATOM 265 CB ARG A 18 -5.032 -5.868 -9.581 1.00 0.00 C ATOM 266 CG ARG A 18 -6.516 -6.016 -9.871 1.00 0.00 C ATOM 267 CD ARG A 18 -6.829 -6.872 -11.044 1.00 0.00 C ATOM 268 NE ARG A 18 -8.249 -7.072 -11.284 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.759 -7.825 -12.278 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.973 -8.420 -13.148 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.073 -7.931 -12.369 1.00 0.00 N ATOM 0 H ARG A 18 -5.017 -3.356 -9.629 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.402 -5.279 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.546 -5.443 -10.459 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.606 -6.860 -9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.006 -6.433 -8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.942 -5.026 -10.035 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.383 -6.426 -11.933 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.357 -7.844 -10.904 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.906 -6.609 -10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.961 -8.315 -13.076 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.375 -8.987 -13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.671 -7.450 -11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.489 -8.494 -13.111 1.00 0.00 H new ATOM 285 N ALA A 19 -2.306 -4.606 -8.452 1.00 0.00 N ATOM 286 CA ALA A 19 -0.917 -4.757 -8.036 1.00 0.00 C ATOM 287 C ALA A 19 -0.708 -4.228 -6.620 1.00 0.00 C ATOM 288 O ALA A 19 0.087 -4.775 -5.854 1.00 0.00 O ATOM 289 CB ALA A 19 0.006 -4.043 -9.011 1.00 0.00 C ATOM 0 H ALA A 19 -2.447 -3.952 -9.222 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.676 -5.820 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.040 -4.164 -8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.116 -4.470 -10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.244 -2.982 -9.038 1.00 0.00 H new ATOM 295 N TYR A 20 -1.424 -3.163 -6.279 1.00 0.00 N ATOM 296 CA TYR A 20 -1.286 -2.536 -4.970 1.00 0.00 C ATOM 297 C TYR A 20 -1.707 -3.493 -3.860 1.00 0.00 C ATOM 298 O TYR A 20 -1.228 -3.403 -2.729 1.00 0.00 O ATOM 299 CB TYR A 20 -2.115 -1.252 -4.901 1.00 0.00 C ATOM 300 CG TYR A 20 -1.995 -0.515 -3.585 1.00 0.00 C ATOM 301 CD1 TYR A 20 -0.843 0.184 -3.261 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.038 -0.520 -2.671 1.00 0.00 C ATOM 303 CE1 TYR A 20 -0.728 0.859 -2.061 1.00 0.00 C ATOM 304 CE2 TYR A 20 -2.936 0.150 -1.467 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.779 0.839 -1.166 1.00 0.00 C ATOM 306 OH TYR A 20 -1.672 1.509 0.031 1.00 0.00 O ATOM 0 H TYR A 20 -2.106 -2.715 -6.891 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.235 -2.285 -4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.806 -0.588 -5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.163 -1.498 -5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.020 0.201 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.946 -1.057 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.177 1.398 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.757 0.135 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.083 2.284 -0.080 1.00 0.00 H new ATOM 316 N THR A 21 -2.607 -4.415 -4.191 1.00 0.00 N ATOM 317 CA THR A 21 -3.166 -5.329 -3.203 1.00 0.00 C ATOM 318 C THR A 21 -2.901 -6.780 -3.586 1.00 0.00 C ATOM 319 O THR A 21 -3.661 -7.678 -3.220 1.00 0.00 O ATOM 320 CB THR A 21 -4.681 -5.120 -3.034 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.338 -5.325 -4.293 1.00 0.00 O ATOM 322 CG2 THR A 21 -4.975 -3.713 -2.537 1.00 0.00 C ATOM 0 H THR A 21 -2.964 -4.548 -5.137 1.00 0.00 H new ATOM 0 HA THR A 21 -2.672 -5.110 -2.256 1.00 0.00 H new ATOM 0 HB THR A 21 -5.051 -5.837 -2.301 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.108 -4.595 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.051 -3.585 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.488 -3.558 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.597 -2.987 -3.256 1.00 0.00 H new ATOM 330 N THR A 22 -1.819 -7.006 -4.323 1.00 0.00 N ATOM 331 CA THR A 22 -1.329 -8.357 -4.569 1.00 0.00 C ATOM 332 C THR A 22 -0.225 -8.728 -3.585 1.00 0.00 C ATOM 333 O THR A 22 0.821 -8.082 -3.513 1.00 0.00 O ATOM 334 CB THR A 22 -0.797 -8.512 -6.006 1.00 0.00 C ATOM 335 OG1 THR A 22 -1.862 -8.291 -6.938 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.225 -9.906 -6.215 1.00 0.00 C ATOM 0 H THR A 22 -1.264 -6.270 -4.761 1.00 0.00 H new ATOM 0 HA THR A 22 -2.176 -9.030 -4.432 1.00 0.00 H new ATOM 0 HB THR A 22 -0.007 -7.779 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.134 -7.350 -6.907 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.146 -9.998 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.594 -10.072 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.005 -10.648 -6.044 1.00 0.00 H new ATOM 344 N PRO A 23 -0.459 -9.795 -2.807 1.00 0.00 N ATOM 345 CA PRO A 23 0.488 -10.254 -1.787 1.00 0.00 C ATOM 346 C PRO A 23 1.882 -10.494 -2.357 1.00 0.00 C ATOM 347 O PRO A 23 2.885 -10.151 -1.733 1.00 0.00 O ATOM 348 CB PRO A 23 -0.139 -11.548 -1.257 1.00 0.00 C ATOM 349 CG PRO A 23 -1.603 -11.365 -1.469 1.00 0.00 C ATOM 350 CD PRO A 23 -1.726 -10.602 -2.761 1.00 0.00 C ATOM 0 HA PRO A 23 0.641 -9.510 -1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.234 -12.420 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.094 -11.700 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.115 -12.326 -1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.054 -10.815 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.808 -11.271 -3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.610 -9.964 -2.769 1.00 0.00 H new ATOM 358 N GLU A 24 1.936 -11.085 -3.547 1.00 0.00 N ATOM 359 CA GLU A 24 3.209 -11.382 -4.194 1.00 0.00 C ATOM 360 C GLU A 24 3.969 -10.099 -4.514 1.00 0.00 C ATOM 361 O GLU A 24 5.198 -10.059 -4.448 1.00 0.00 O ATOM 362 CB GLU A 24 2.986 -12.198 -5.469 1.00 0.00 C ATOM 363 CG GLU A 24 2.527 -13.629 -5.228 1.00 0.00 C ATOM 364 CD GLU A 24 2.254 -14.340 -6.524 1.00 0.00 C ATOM 365 OE1 GLU A 24 2.356 -13.717 -7.554 1.00 0.00 O ATOM 366 OE2 GLU A 24 2.055 -15.532 -6.494 1.00 0.00 O ATOM 0 H GLU A 24 1.114 -11.367 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 24 3.809 -11.972 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.244 -11.690 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.914 -12.218 -6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.291 -14.169 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.625 -13.626 -4.615 1.00 0.00 H new ATOM 373 N ASP A 25 3.231 -9.051 -4.862 1.00 0.00 N ATOM 374 CA ASP A 25 3.830 -7.755 -5.153 1.00 0.00 C ATOM 375 C ASP A 25 4.225 -7.037 -3.868 1.00 0.00 C ATOM 376 O ASP A 25 5.300 -6.442 -3.782 1.00 0.00 O ATOM 377 CB ASP A 25 2.868 -6.888 -5.968 1.00 0.00 C ATOM 378 CG ASP A 25 2.661 -7.356 -7.403 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.408 -8.196 -7.847 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.670 -6.989 -7.989 1.00 0.00 O ATOM 0 H ASP A 25 2.215 -9.074 -4.949 1.00 0.00 H new ATOM 0 HA ASP A 25 4.731 -7.926 -5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.902 -6.865 -5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.244 -5.865 -5.983 1.00 0.00 H new ATOM 385 N ILE A 26 3.349 -7.096 -2.870 1.00 0.00 N ATOM 386 CA ILE A 26 3.559 -6.366 -1.626 1.00 0.00 C ATOM 387 C ILE A 26 4.822 -6.839 -0.917 1.00 0.00 C ATOM 388 O ILE A 26 5.621 -6.031 -0.442 1.00 0.00 O ATOM 389 CB ILE A 26 2.358 -6.517 -0.673 1.00 0.00 C ATOM 390 CG1 ILE A 26 1.131 -5.800 -1.243 1.00 0.00 C ATOM 391 CG2 ILE A 26 2.702 -5.978 0.706 1.00 0.00 C ATOM 392 CD1 ILE A 26 -0.161 -6.146 -0.537 1.00 0.00 C ATOM 0 H ILE A 26 2.488 -7.642 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 26 3.669 -5.315 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 26 2.123 -7.577 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.290 -4.723 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.035 -6.049 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.842 -6.093 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.548 -6.532 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.962 -4.922 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.984 -5.600 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.345 -7.217 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.086 -5.871 0.515 1.00 0.00 H new ATOM 604 N ALA A 40 6.176 -12.425 3.790 1.00 0.00 N ATOM 605 CA ALA A 40 5.068 -13.120 3.147 1.00 0.00 C ATOM 606 C ALA A 40 3.730 -12.514 3.552 1.00 0.00 C ATOM 607 O ALA A 40 3.540 -12.118 4.702 1.00 0.00 O ATOM 608 CB ALA A 40 5.105 -14.603 3.490 1.00 0.00 C ATOM 0 HA ALA A 40 5.176 -13.005 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.272 -15.110 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.044 -15.033 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.025 -14.729 4.570 1.00 0.00 H new ATOM 614 N ALA A 41 2.804 -12.445 2.601 1.00 0.00 N ATOM 615 CA ALA A 41 1.544 -11.743 2.811 1.00 0.00 C ATOM 616 C ALA A 41 0.368 -12.557 2.282 1.00 0.00 C ATOM 617 O ALA A 41 0.514 -13.342 1.345 1.00 0.00 O ATOM 618 CB ALA A 41 1.583 -10.376 2.146 1.00 0.00 C ATOM 0 H ALA A 41 2.903 -12.867 1.678 1.00 0.00 H new ATOM 0 HA ALA A 41 1.407 -11.608 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.635 -9.864 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.394 -9.786 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.748 -10.497 1.075 1.00 0.00 H new ATOM 624 N THR A 42 -0.799 -12.366 2.890 1.00 0.00 N ATOM 625 CA THR A 42 -2.047 -12.853 2.318 1.00 0.00 C ATOM 626 C THR A 42 -3.134 -11.786 2.375 1.00 0.00 C ATOM 627 O THR A 42 -3.376 -11.187 3.422 1.00 0.00 O ATOM 628 CB THR A 42 -2.544 -14.118 3.044 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.548 -15.146 2.954 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.839 -14.616 2.421 1.00 0.00 C ATOM 0 H THR A 42 -0.905 -11.877 3.779 1.00 0.00 H new ATOM 0 HA THR A 42 -1.840 -13.100 1.277 1.00 0.00 H new ATOM 0 HB THR A 42 -2.727 -13.871 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.864 -15.949 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.175 -15.510 2.946 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.602 -13.841 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.669 -14.854 1.371 1.00 0.00 H new ATOM 638 N VAL A 43 -3.787 -11.551 1.240 1.00 0.00 N ATOM 639 CA VAL A 43 -4.786 -10.495 1.138 1.00 0.00 C ATOM 640 C VAL A 43 -6.099 -11.034 0.580 1.00 0.00 C ATOM 641 O VAL A 43 -6.124 -11.664 -0.477 1.00 0.00 O ATOM 642 CB VAL A 43 -4.296 -9.337 0.249 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.378 -8.276 0.112 1.00 0.00 C ATOM 644 CG2 VAL A 43 -3.024 -8.729 0.820 1.00 0.00 C ATOM 0 H VAL A 43 -3.641 -12.078 0.379 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.951 -10.118 2.147 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.074 -9.733 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.015 -7.465 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.266 -8.718 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.630 -7.884 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.692 -7.912 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.221 -8.347 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.246 -9.491 0.869 1.00 0.00 H new ATOM 654 N ASP A 44 -7.188 -10.782 1.296 1.00 0.00 N ATOM 655 CA ASP A 44 -8.523 -11.065 0.785 1.00 0.00 C ATOM 656 C ASP A 44 -9.130 -9.828 0.132 1.00 0.00 C ATOM 657 O ASP A 44 -9.419 -8.837 0.806 1.00 0.00 O ATOM 658 CB ASP A 44 -9.434 -11.571 1.907 1.00 0.00 C ATOM 659 CG ASP A 44 -10.828 -11.979 1.450 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.119 -11.826 0.287 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.532 -12.582 2.224 1.00 0.00 O ATOM 0 H ASP A 44 -7.172 -10.381 2.234 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.434 -11.845 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.958 -12.426 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.526 -10.791 2.663 1.00 0.00 H new ATOM 666 N LEU A 45 -9.321 -9.890 -1.180 1.00 0.00 N ATOM 667 CA LEU A 45 -9.738 -8.723 -1.949 1.00 0.00 C ATOM 668 C LEU A 45 -11.255 -8.574 -1.933 1.00 0.00 C ATOM 669 O LEU A 45 -11.950 -9.088 -2.810 1.00 0.00 O ATOM 670 CB LEU A 45 -9.224 -8.825 -3.391 1.00 0.00 C ATOM 671 CG LEU A 45 -7.698 -8.853 -3.541 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.319 -8.997 -5.009 1.00 0.00 C ATOM 673 CD2 LEU A 45 -7.106 -7.580 -2.954 1.00 0.00 C ATOM 0 H LEU A 45 -9.194 -10.737 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.306 -7.836 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.634 -9.728 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.613 -7.980 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.296 -9.709 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.233 -9.016 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.734 -9.925 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.718 -8.153 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.021 -7.600 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.507 -6.715 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.365 -7.512 -1.898 1.00 0.00 H new ATOM 685 N ARG A 46 -11.764 -7.865 -0.931 1.00 0.00 N ATOM 686 CA ARG A 46 -13.190 -7.568 -0.850 1.00 0.00 C ATOM 687 C ARG A 46 -13.462 -6.479 0.183 1.00 0.00 C ATOM 688 O ARG A 46 -12.655 -6.250 1.084 1.00 0.00 O ATOM 689 CB ARG A 46 -14.023 -8.814 -0.584 1.00 0.00 C ATOM 690 CG ARG A 46 -13.770 -9.476 0.761 1.00 0.00 C ATOM 691 CD ARG A 46 -14.522 -10.739 0.972 1.00 0.00 C ATOM 692 NE ARG A 46 -14.125 -11.487 2.154 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.638 -11.300 3.386 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.541 -10.371 3.610 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.194 -12.063 4.370 1.00 0.00 N ATOM 0 H ARG A 46 -11.210 -7.485 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.498 -7.191 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.078 -8.549 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.827 -9.540 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.704 -9.681 0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.032 -8.774 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.584 -10.507 1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.394 -11.374 0.096 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.408 -12.204 2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.864 -9.778 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.919 -10.243 4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.482 -12.770 4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.563 -11.945 5.313 1.00 0.00 H new ATOM 709 N GLU A 47 -14.602 -5.811 0.044 1.00 0.00 N ATOM 710 CA GLU A 47 -15.074 -4.886 1.068 1.00 0.00 C ATOM 711 C GLU A 47 -15.340 -5.616 2.381 1.00 0.00 C ATOM 712 O GLU A 47 -16.144 -6.545 2.435 1.00 0.00 O ATOM 713 CB GLU A 47 -16.339 -4.164 0.598 1.00 0.00 C ATOM 714 CG GLU A 47 -16.832 -3.078 1.544 1.00 0.00 C ATOM 715 CD GLU A 47 -18.048 -2.385 0.994 1.00 0.00 C ATOM 716 OE1 GLU A 47 -18.434 -2.690 -0.108 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.657 -1.634 1.719 1.00 0.00 O ATOM 0 H GLU A 47 -15.216 -5.893 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.292 -4.146 1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -16.147 -3.719 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -17.133 -4.899 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.068 -3.517 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.039 -2.349 1.709 1.00 0.00 H new ATOM 724 N GLY A 48 -14.656 -5.187 3.439 1.00 0.00 N ATOM 725 CA GLY A 48 -14.743 -5.883 4.709 1.00 0.00 C ATOM 726 C GLY A 48 -13.731 -7.006 4.825 1.00 0.00 C ATOM 727 O GLY A 48 -13.596 -7.624 5.881 1.00 0.00 O ATOM 0 H GLY A 48 -14.044 -4.371 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.587 -5.172 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.747 -6.289 4.829 1.00 0.00 H new ATOM 731 N GLY A 49 -13.015 -7.270 3.736 1.00 0.00 N ATOM 732 CA GLY A 49 -12.079 -8.379 3.716 1.00 0.00 C ATOM 733 C GLY A 49 -10.835 -8.105 4.535 1.00 0.00 C ATOM 734 O GLY A 49 -10.446 -6.951 4.717 1.00 0.00 O ATOM 0 H GLY A 49 -13.066 -6.736 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.572 -9.273 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.792 -8.589 2.686 1.00 0.00 H new ATOM 738 N ALA A 50 -10.209 -9.167 5.033 1.00 0.00 N ATOM 739 CA ALA A 50 -9.042 -9.031 5.894 1.00 0.00 C ATOM 740 C ALA A 50 -7.752 -9.237 5.106 1.00 0.00 C ATOM 741 O ALA A 50 -7.743 -9.911 4.077 1.00 0.00 O ATOM 742 CB ALA A 50 -9.120 -10.018 7.049 1.00 0.00 C ATOM 0 H ALA A 50 -10.491 -10.131 4.854 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.034 -8.018 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.241 -9.905 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.018 -9.823 7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.156 -11.034 6.657 1.00 0.00 H new ATOM 748 N PHE A 51 -6.664 -8.652 5.597 1.00 0.00 N ATOM 749 CA PHE A 51 -5.342 -8.904 5.037 1.00 0.00 C ATOM 750 C PHE A 51 -4.292 -8.998 6.141 1.00 0.00 C ATOM 751 O PHE A 51 -4.466 -8.440 7.225 1.00 0.00 O ATOM 752 CB PHE A 51 -4.965 -7.808 4.040 1.00 0.00 C ATOM 753 CG PHE A 51 -4.872 -6.438 4.651 1.00 0.00 C ATOM 754 CD1 PHE A 51 -5.986 -5.613 4.712 1.00 0.00 C ATOM 755 CD2 PHE A 51 -3.673 -5.972 5.167 1.00 0.00 C ATOM 756 CE1 PHE A 51 -5.903 -4.354 5.271 1.00 0.00 C ATOM 757 CE2 PHE A 51 -3.587 -4.713 5.729 1.00 0.00 C ATOM 758 CZ PHE A 51 -4.702 -3.903 5.781 1.00 0.00 C ATOM 0 H PHE A 51 -6.672 -8.000 6.382 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.374 -9.859 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.007 -8.058 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.704 -7.789 3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.929 -5.960 4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.796 -6.601 5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.778 -3.722 5.309 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.646 -4.363 6.128 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.636 -2.918 6.220 1.00 0.00 H new ATOM 768 N SER A 52 -3.204 -9.706 5.857 1.00 0.00 N ATOM 769 CA SER A 52 -2.167 -9.949 6.853 1.00 0.00 C ATOM 770 C SER A 52 -0.798 -10.071 6.193 1.00 0.00 C ATOM 771 O SER A 52 -0.675 -10.601 5.089 1.00 0.00 O ATOM 772 CB SER A 52 -2.488 -11.199 7.648 1.00 0.00 C ATOM 773 OG SER A 52 -1.495 -11.491 8.592 1.00 0.00 O ATOM 0 H SER A 52 -3.017 -10.122 4.945 1.00 0.00 H new ATOM 0 HA SER A 52 -2.138 -9.099 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.444 -11.070 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.600 -12.043 6.967 1.00 0.00 H new ATOM 0 HG SER A 52 -1.113 -10.656 8.934 1.00 0.00 H new ATOM 779 N SER A 53 0.229 -9.579 6.878 1.00 0.00 N ATOM 780 CA SER A 53 1.601 -9.721 6.405 1.00 0.00 C ATOM 781 C SER A 53 2.516 -10.199 7.529 1.00 0.00 C ATOM 782 O SER A 53 2.600 -9.573 8.586 1.00 0.00 O ATOM 783 CB SER A 53 2.099 -8.405 5.839 1.00 0.00 C ATOM 784 OG SER A 53 3.428 -8.490 5.402 1.00 0.00 O ATOM 0 H SER A 53 0.137 -9.079 7.762 1.00 0.00 H new ATOM 0 HA SER A 53 1.616 -10.471 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.462 -8.104 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.017 -7.629 6.600 1.00 0.00 H new ATOM 0 HG SER A 53 3.710 -7.623 5.043 1.00 0.00 H new ATOM 790 N ARG A 54 3.201 -11.314 7.292 1.00 0.00 N ATOM 791 CA ARG A 54 4.140 -11.854 8.267 1.00 0.00 C ATOM 792 C ARG A 54 5.581 -11.588 7.838 1.00 0.00 C ATOM 793 O ARG A 54 5.987 -11.953 6.735 1.00 0.00 O ATOM 794 CB ARG A 54 3.900 -13.332 8.539 1.00 0.00 C ATOM 795 CG ARG A 54 4.783 -13.935 9.620 1.00 0.00 C ATOM 796 CD ARG A 54 4.611 -15.399 9.805 1.00 0.00 C ATOM 797 NE ARG A 54 5.542 -16.000 10.747 1.00 0.00 N ATOM 798 CZ ARG A 54 5.318 -16.124 12.070 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.217 -15.659 12.616 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.246 -16.706 12.808 1.00 0.00 N ATOM 0 H ARG A 54 3.123 -11.860 6.434 1.00 0.00 H new ATOM 0 HA ARG A 54 3.967 -11.333 9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.857 -13.470 8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.054 -13.887 7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.826 -13.732 9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.573 -13.434 10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.594 -15.593 10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.723 -15.891 8.839 1.00 0.00 H new ATOM 0 HE ARG A 54 6.426 -16.352 10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.517 -15.196 12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.063 -15.761 13.619 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.103 -17.047 12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.105 -16.814 13.812 1.00 0.00 H new ATOM 964 N PHE A 66 1.560 -8.623 11.093 1.00 0.00 N ATOM 965 CA PHE A 66 0.745 -7.438 10.849 1.00 0.00 C ATOM 966 C PHE A 66 -0.589 -7.819 10.211 1.00 0.00 C ATOM 967 O PHE A 66 -0.646 -8.680 9.336 1.00 0.00 O ATOM 968 CB PHE A 66 1.493 -6.445 9.957 1.00 0.00 C ATOM 969 CG PHE A 66 2.584 -5.696 10.669 1.00 0.00 C ATOM 970 CD1 PHE A 66 2.693 -5.746 12.050 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.501 -4.937 9.958 1.00 0.00 C ATOM 972 CE1 PHE A 66 3.696 -5.057 12.706 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.505 -4.248 10.610 1.00 0.00 C ATOM 974 CZ PHE A 66 4.601 -4.307 11.985 1.00 0.00 C ATOM 0 HA PHE A 66 0.545 -6.962 11.809 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.925 -6.982 9.113 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.780 -5.729 9.548 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.986 -6.330 12.620 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.429 -4.884 8.882 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.771 -5.106 13.782 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.215 -3.663 10.044 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.384 -3.766 12.496 1.00 0.00 H new ATOM 984 N ALA A 67 -1.658 -7.169 10.660 1.00 0.00 N ATOM 985 CA ALA A 67 -2.998 -7.486 10.184 1.00 0.00 C ATOM 986 C ALA A 67 -3.836 -6.223 10.022 1.00 0.00 C ATOM 987 O ALA A 67 -3.651 -5.246 10.745 1.00 0.00 O ATOM 988 CB ALA A 67 -3.682 -8.456 11.137 1.00 0.00 C ATOM 0 H ALA A 67 -1.622 -6.421 11.352 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.906 -7.958 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.682 -8.684 10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.100 -9.376 11.200 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.754 -8.004 12.126 1.00 0.00 H new ATOM 994 N GLY A 68 -4.760 -6.248 9.064 1.00 0.00 N ATOM 995 CA GLY A 68 -5.658 -5.125 8.870 1.00 0.00 C ATOM 996 C GLY A 68 -6.938 -5.524 8.162 1.00 0.00 C ATOM 997 O GLY A 68 -7.062 -6.644 7.668 1.00 0.00 O ATOM 0 H GLY A 68 -4.902 -7.026 8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.903 -4.688 9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.151 -4.354 8.291 1.00 0.00 H new ATOM 1001 N THR A 69 -7.896 -4.603 8.114 1.00 0.00 N ATOM 1002 CA THR A 69 -9.199 -4.888 7.526 1.00 0.00 C ATOM 1003 C THR A 69 -9.595 -3.812 6.521 1.00 0.00 C ATOM 1004 O THR A 69 -9.369 -2.623 6.748 1.00 0.00 O ATOM 1005 CB THR A 69 -10.294 -4.999 8.603 1.00 0.00 C ATOM 1006 OG1 THR A 69 -9.943 -6.024 9.540 1.00 0.00 O ATOM 1007 CG2 THR A 69 -11.635 -5.335 7.968 1.00 0.00 C ATOM 0 H THR A 69 -7.794 -3.654 8.475 1.00 0.00 H new ATOM 0 HA THR A 69 -9.110 -5.846 7.014 1.00 0.00 H new ATOM 0 HB THR A 69 -10.377 -4.041 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.640 -6.093 10.226 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.397 -5.409 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.911 -4.551 7.263 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.560 -6.286 7.441 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.189 -4.235 5.411 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.679 -3.303 4.402 1.00 0.00 C ATOM 1017 C TYR A 70 -12.055 -2.764 4.783 1.00 0.00 C ATOM 1018 O TYR A 70 -12.868 -3.468 5.384 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.747 -3.986 3.036 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.390 -4.314 2.454 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.498 -3.307 2.113 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.003 -5.632 2.248 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.257 -3.601 1.581 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -7.763 -5.937 1.718 1.00 0.00 C ATOM 1025 CZ TYR A 70 -6.895 -4.918 1.386 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.659 -5.216 0.857 1.00 0.00 O ATOM 0 H TYR A 70 -10.343 -5.218 5.187 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.982 -2.466 4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.326 -4.905 3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.284 -3.339 2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.779 -2.275 2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.682 -6.431 2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.575 -2.805 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.476 -6.967 1.565 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.153 -5.761 1.495 1.00 0.00 H new ATOM 1036 N THR A 71 -12.311 -1.508 4.429 1.00 0.00 N ATOM 1037 CA THR A 71 -13.553 -0.846 4.805 1.00 0.00 C ATOM 1038 C THR A 71 -14.427 -0.583 3.584 1.00 0.00 C ATOM 1039 O THR A 71 -15.654 -0.665 3.656 1.00 0.00 O ATOM 1040 CB THR A 71 -13.286 0.486 5.530 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.667 1.410 4.626 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.374 0.268 6.728 1.00 0.00 C ATOM 0 H THR A 71 -11.674 -0.929 3.882 1.00 0.00 H new ATOM 0 HA THR A 71 -14.076 -1.519 5.484 1.00 0.00 H new ATOM 0 HB THR A 71 -14.237 0.889 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.763 2.321 4.973 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.196 1.220 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.847 -0.425 7.424 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.424 -0.148 6.391 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.790 -0.267 2.463 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.501 0.233 1.292 1.00 0.00 C ATOM 1052 C LYS A 72 -13.664 0.054 0.029 1.00 0.00 C ATOM 1053 O LYS A 72 -12.454 0.283 0.037 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.871 1.706 1.478 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.805 2.259 0.410 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.205 3.694 0.713 1.00 0.00 C ATOM 1057 CE LYS A 72 -17.273 4.189 -0.251 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.667 5.596 0.029 1.00 0.00 N ATOM 0 H LYS A 72 -12.781 -0.348 2.340 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.417 -0.347 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.341 1.830 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.957 2.300 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.315 2.214 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.697 1.636 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.577 3.761 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.328 4.339 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.902 4.113 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.150 3.546 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.396 5.894 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.045 5.665 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.836 6.214 -0.062 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.316 -0.354 -1.054 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.671 -0.409 -2.361 1.00 0.00 C ATOM 1074 C VAL A 73 -14.610 0.072 -3.459 1.00 0.00 C ATOM 1075 O VAL A 73 -15.756 -0.372 -3.550 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.191 -1.835 -2.695 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.536 -1.867 -4.068 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.225 -2.335 -1.633 1.00 0.00 C ATOM 0 H VAL A 73 -15.292 -0.652 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.806 0.253 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.058 -2.496 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.203 -2.881 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.256 -1.550 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.679 -1.193 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.897 -3.343 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.360 -1.673 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.724 -2.348 -0.664 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.120 0.980 -4.295 1.00 0.00 N ATOM 1089 CA VAL A 74 -14.955 1.625 -5.301 1.00 0.00 C ATOM 1090 C VAL A 74 -14.384 1.423 -6.700 1.00 0.00 C ATOM 1091 O VAL A 74 -13.305 1.921 -7.018 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.105 3.134 -5.030 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -15.966 3.784 -6.104 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -15.706 3.371 -3.653 1.00 0.00 C ATOM 0 H VAL A 74 -13.147 1.286 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.938 1.157 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.115 3.589 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.062 4.850 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.499 3.644 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.954 3.324 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.805 4.442 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.689 2.903 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.056 2.938 -2.893 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.117 0.691 -7.533 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.779 0.573 -8.947 1.00 0.00 C ATOM 1106 C GLU A 75 -13.289 0.297 -9.128 1.00 0.00 C ATOM 1107 O GLU A 75 -12.696 0.672 -10.138 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.176 1.844 -9.701 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.670 2.133 -9.704 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.997 3.314 -10.575 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -16.092 3.880 -11.139 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -18.159 3.582 -10.766 1.00 0.00 O ATOM 0 H GLU A 75 -15.949 0.171 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.337 -0.268 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.655 2.693 -9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.832 1.762 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.211 1.256 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.007 2.325 -8.685 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.692 -0.365 -8.141 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.250 -0.591 -8.136 1.00 0.00 C ATOM 1121 C ASN A 76 -10.494 0.721 -8.313 1.00 0.00 C ATOM 1122 O ASN A 76 -9.523 0.793 -9.066 1.00 0.00 O ATOM 1123 CB ASN A 76 -10.840 -1.586 -9.207 1.00 0.00 C ATOM 1124 CG ASN A 76 -11.556 -2.905 -9.115 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -11.452 -3.622 -8.112 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.214 -3.265 -10.186 1.00 0.00 N ATOM 0 H ASN A 76 -13.183 -0.754 -7.336 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.989 -1.014 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.028 -1.149 -10.187 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.766 -1.760 -9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.672 -4.176 -10.221 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.269 -2.635 -10.986 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.944 1.756 -7.613 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.470 3.113 -7.862 1.00 0.00 C ATOM 1135 C LYS A 77 -10.244 3.861 -6.551 1.00 0.00 C ATOM 1136 O LYS A 77 -9.438 4.789 -6.486 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.463 3.875 -8.741 1.00 0.00 C ATOM 1138 CG LYS A 77 -11.428 3.486 -10.212 1.00 0.00 C ATOM 1139 CD LYS A 77 -12.552 4.155 -10.989 1.00 0.00 C ATOM 1140 CE LYS A 77 -12.698 3.557 -12.380 1.00 0.00 C ATOM 1141 NZ LYS A 77 -13.876 4.107 -13.102 1.00 0.00 N ATOM 0 H LYS A 77 -11.637 1.682 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.517 3.046 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.470 3.710 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.261 4.943 -8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.467 3.769 -10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.513 2.403 -10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.489 4.044 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.354 5.224 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.794 3.755 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.794 2.474 -12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.039 3.557 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.716 4.048 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.698 5.101 -13.350 1.00 0.00 H new ATOM 1155 N ARG A 78 -10.960 3.449 -5.510 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.708 3.948 -4.164 1.00 0.00 C ATOM 1157 C ARG A 78 -10.818 2.824 -3.138 1.00 0.00 C ATOM 1158 O ARG A 78 -11.737 2.008 -3.193 1.00 0.00 O ATOM 1159 CB ARG A 78 -11.607 5.123 -3.808 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.353 6.389 -4.611 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.191 7.548 -4.208 1.00 0.00 C ATOM 1162 NE ARG A 78 -11.849 8.797 -4.870 1.00 0.00 N ATOM 1163 CZ ARG A 78 -12.439 9.254 -5.992 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -13.370 8.554 -6.601 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -12.039 10.416 -6.478 1.00 0.00 N ATOM 0 H ARG A 78 -11.719 2.771 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.685 4.324 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.645 4.823 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.481 5.350 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.303 6.663 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.529 6.178 -5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.235 7.315 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.104 7.687 -3.130 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.111 9.367 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.656 7.650 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.806 8.915 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.303 10.940 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.466 10.788 -7.326 1.00 0.00 H new ATOM 1179 N ILE A 79 -9.874 2.791 -2.202 1.00 0.00 N ATOM 1180 CA ILE A 79 -9.790 1.696 -1.243 1.00 0.00 C ATOM 1181 C ILE A 79 -9.300 2.191 0.114 1.00 0.00 C ATOM 1182 O ILE A 79 -8.253 2.829 0.211 1.00 0.00 O ATOM 1183 CB ILE A 79 -8.854 0.579 -1.741 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -8.879 -0.608 -0.775 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.437 1.107 -1.906 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.272 -1.870 -1.344 1.00 0.00 C ATOM 0 H ILE A 79 -9.158 3.509 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.797 1.291 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.208 0.238 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.343 -0.336 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.911 -0.810 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.789 0.305 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.434 1.921 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.071 1.474 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.326 -2.666 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.822 -2.168 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.230 -1.687 -1.604 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.064 1.889 1.159 1.00 0.00 N ATOM 1199 CA GLU A 80 -9.714 2.314 2.508 1.00 0.00 C ATOM 1200 C GLU A 80 -9.622 1.117 3.450 1.00 0.00 C ATOM 1201 O GLU A 80 -10.422 0.185 3.367 1.00 0.00 O ATOM 1202 CB GLU A 80 -10.737 3.324 3.037 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.423 3.870 4.422 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.547 4.725 4.938 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.610 4.201 5.168 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.312 5.879 5.212 1.00 0.00 O ATOM 0 H GLU A 80 -10.929 1.352 1.097 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.737 2.795 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.802 4.157 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.718 2.850 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.246 3.043 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.505 4.456 4.385 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.640 1.150 4.345 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.412 0.047 5.270 1.00 0.00 C ATOM 1215 C TYR A 81 -7.880 0.559 6.606 1.00 0.00 C ATOM 1216 O TYR A 81 -7.314 1.648 6.686 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.438 -0.966 4.667 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.153 -0.353 4.154 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.064 0.124 2.855 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.036 -0.254 4.969 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -4.895 0.686 2.381 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -3.861 0.305 4.506 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.794 0.775 3.209 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.626 1.333 2.741 1.00 0.00 O ATOM 0 H TYR A 81 -7.990 1.929 4.449 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.367 -0.448 5.447 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.196 -1.715 5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.933 -1.487 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.923 0.055 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.085 -0.620 5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.842 1.054 1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.000 0.374 5.154 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.585 1.236 1.767 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.068 -0.238 7.653 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.668 0.161 8.998 1.00 0.00 C ATOM 1236 C ALA A 82 -6.600 -0.776 9.554 1.00 0.00 C ATOM 1237 O ALA A 82 -6.701 -1.996 9.421 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.877 0.192 9.920 1.00 0.00 C ATOM 0 H ALA A 82 -8.494 -1.163 7.596 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.242 1.163 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.564 0.491 10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.607 0.906 9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.328 -0.799 9.962 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.579 -0.198 10.176 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.449 -0.975 10.674 1.00 0.00 C ATOM 1246 C PHE A 83 -4.175 -0.655 12.140 1.00 0.00 C ATOM 1247 O PHE A 83 -3.652 0.410 12.468 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.201 -0.707 9.830 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.006 -1.518 10.244 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.912 -2.861 9.911 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -0.973 -0.940 10.966 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -0.813 -3.609 10.290 1.00 0.00 C ATOM 1253 CE2 PHE A 83 0.127 -1.684 11.346 1.00 0.00 C ATOM 1254 CZ PHE A 83 0.207 -3.019 11.007 1.00 0.00 C ATOM 0 H PHE A 83 -5.510 0.805 10.348 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.703 -2.032 10.595 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.428 -0.918 8.785 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.950 0.352 9.894 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.707 -3.328 9.349 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.029 0.105 11.235 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.753 -4.654 10.025 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.924 -1.221 11.908 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.067 -3.601 11.303 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.530 -1.586 13.019 1.00 0.00 N ATOM 1265 CA GLY A 84 -4.326 -1.380 14.441 1.00 0.00 C ATOM 1266 C GLY A 84 -5.163 -0.242 14.990 1.00 0.00 C ATOM 1267 O GLY A 84 -6.392 -0.286 14.939 1.00 0.00 O ATOM 0 H GLY A 84 -4.955 -2.480 12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.571 -2.297 14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.272 -1.174 14.627 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.496 0.780 15.517 1.00 0.00 N ATOM 1272 CA ASP A 85 -5.182 1.973 15.997 1.00 0.00 C ATOM 1273 C ASP A 85 -5.099 3.098 14.968 1.00 0.00 C ATOM 1274 O ASP A 85 -5.445 4.243 15.256 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.591 2.432 17.332 1.00 0.00 C ATOM 1276 CG ASP A 85 -4.755 1.433 18.469 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -5.838 0.922 18.633 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -3.767 1.071 19.062 1.00 0.00 O ATOM 0 H ASP A 85 -3.482 0.805 15.622 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.232 1.722 16.148 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.529 2.636 17.194 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.062 3.372 17.620 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.636 2.762 13.769 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.458 3.753 12.714 1.00 0.00 C ATOM 1285 C ARG A 86 -5.311 3.409 11.496 1.00 0.00 C ATOM 1286 O ARG A 86 -5.817 2.293 11.372 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.995 3.937 12.338 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.188 4.785 13.308 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.686 4.048 14.496 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.696 3.025 14.195 1.00 0.00 N ATOM 1291 CZ ARG A 86 -0.066 2.275 15.121 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.291 2.453 16.404 1.00 0.00 N ATOM 1293 NH2 ARG A 86 0.803 1.371 14.705 1.00 0.00 N ATOM 0 H ARG A 86 -4.377 1.812 13.503 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.800 4.710 13.107 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.528 2.955 12.261 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.943 4.393 11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.339 5.215 12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.806 5.617 13.646 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.251 4.763 15.195 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.531 3.581 15.002 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.463 2.864 13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.951 3.167 16.712 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.194 1.877 17.092 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.981 1.256 13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.296 0.788 15.382 1.00 0.00 H new ATOM 1307 N THR A 87 -5.469 4.377 10.598 1.00 0.00 N ATOM 1308 CA THR A 87 -6.232 4.166 9.374 1.00 0.00 C ATOM 1309 C THR A 87 -5.475 4.687 8.158 1.00 0.00 C ATOM 1310 O THR A 87 -4.588 5.533 8.282 1.00 0.00 O ATOM 1311 CB THR A 87 -7.609 4.851 9.441 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.435 6.269 9.572 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.406 4.331 10.627 1.00 0.00 C ATOM 0 H THR A 87 -5.079 5.314 10.696 1.00 0.00 H new ATOM 0 HA THR A 87 -6.377 3.090 9.275 1.00 0.00 H new ATOM 0 HB THR A 87 -8.154 4.628 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.312 6.704 9.613 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.376 4.826 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.551 3.255 10.525 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.863 4.538 11.549 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.830 4.179 6.982 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.259 4.669 5.734 1.00 0.00 C ATOM 1323 C ALA A 88 -6.282 4.616 4.604 1.00 0.00 C ATOM 1324 O ALA A 88 -7.115 3.711 4.550 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.023 3.863 5.367 1.00 0.00 C ATOM 0 H ALA A 88 -6.511 3.428 6.868 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.971 5.710 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.607 4.240 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.280 3.956 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.295 2.814 5.246 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.213 5.591 3.704 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.143 5.664 2.583 1.00 0.00 C ATOM 1333 C LYS A 89 -6.403 5.942 1.279 1.00 0.00 C ATOM 1334 O LYS A 89 -5.624 6.891 1.185 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.200 6.741 2.832 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.280 6.821 1.761 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.366 7.815 2.144 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.440 7.903 1.071 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.551 8.811 1.469 1.00 0.00 N ATOM 0 H LYS A 89 -5.523 6.342 3.729 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.641 4.699 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.674 6.552 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.705 7.709 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.833 7.116 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.722 5.836 1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.818 7.516 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.923 8.799 2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.996 8.259 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.838 6.908 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.262 8.843 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.992 8.458 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.176 9.767 1.633 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.652 5.109 0.273 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.938 5.208 -0.996 1.00 0.00 C ATOM 1355 C VAL A 90 -6.889 5.562 -2.134 1.00 0.00 C ATOM 1356 O VAL A 90 -7.975 4.995 -2.247 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.209 3.896 -1.338 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.423 4.045 -2.632 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.286 3.486 -0.200 1.00 0.00 C ATOM 0 H VAL A 90 -7.342 4.359 0.312 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.200 6.002 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.956 3.114 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.914 3.108 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.105 4.293 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.686 4.840 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.779 2.557 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.546 4.268 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.871 3.339 0.708 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.472 6.503 -2.975 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.250 6.875 -4.150 1.00 0.00 C ATOM 1371 C GLU A 91 -6.427 6.703 -5.424 1.00 0.00 C ATOM 1372 O GLU A 91 -5.221 6.945 -5.435 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.745 8.318 -4.031 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.672 8.570 -2.851 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.150 9.995 -2.825 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -9.747 10.419 -3.784 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.016 10.626 -1.802 1.00 0.00 O ATOM 0 H GLU A 91 -5.600 7.021 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.114 6.212 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.883 8.979 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.265 8.588 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.528 7.898 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.151 8.342 -1.921 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.091 6.282 -6.497 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.427 6.102 -7.783 1.00 0.00 C ATOM 1386 C PHE A 92 -7.045 7.005 -8.846 1.00 0.00 C ATOM 1387 O PHE A 92 -8.241 6.925 -9.127 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.503 4.638 -8.224 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.835 3.683 -7.276 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.518 3.181 -6.179 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.521 3.287 -7.480 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.904 2.303 -5.306 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -3.905 2.409 -6.609 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.598 1.917 -5.521 1.00 0.00 C ATOM 0 H PHE A 92 -8.086 6.060 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.380 6.379 -7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.550 4.355 -8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.043 4.540 -9.207 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.541 3.479 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.974 3.669 -8.329 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.447 1.919 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.882 2.108 -6.779 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.118 1.231 -4.839 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.220 7.865 -9.433 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.708 8.889 -10.350 1.00 0.00 C ATOM 1406 C LEU A 93 -6.167 8.661 -11.759 1.00 0.00 C ATOM 1407 O LEU A 93 -4.966 8.468 -11.948 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.320 10.284 -9.845 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.795 10.619 -8.426 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -6.241 11.971 -7.996 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -8.316 10.623 -8.386 1.00 0.00 C ATOM 0 H LEU A 93 -5.210 7.874 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.795 8.822 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.234 10.376 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.725 11.027 -10.532 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.428 9.863 -7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.584 12.200 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.152 11.939 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.591 12.742 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.653 10.861 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.696 11.371 -9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.690 9.640 -8.671 1.00 0.00 H new ATOM 1423 N GLU A 94 -7.060 8.687 -12.742 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.666 8.530 -14.137 1.00 0.00 C ATOM 1425 C GLU A 94 -6.115 9.838 -14.698 1.00 0.00 C ATOM 1426 O GLU A 94 -6.821 10.844 -14.761 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.849 8.050 -14.980 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.512 7.777 -16.439 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.724 7.322 -17.203 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.773 7.222 -16.613 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.629 7.185 -18.400 1.00 0.00 O ATOM 0 H GLU A 94 -8.062 8.815 -12.599 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.878 7.778 -14.181 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.250 7.139 -14.536 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.639 8.800 -14.936 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.109 8.680 -16.897 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.735 7.015 -16.499 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.850 9.815 -15.104 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.237 10.962 -15.763 1.00 0.00 C ATOM 1440 C ALA A 95 -3.977 10.674 -17.239 1.00 0.00 C ATOM 1441 O ALA A 95 -3.926 9.522 -17.669 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.943 11.345 -15.062 1.00 0.00 C ATOM 0 H ALA A 95 -4.229 9.014 -14.988 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.932 11.799 -15.700 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.497 12.203 -15.565 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.154 11.602 -14.024 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.250 10.505 -15.094 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.811 11.743 -18.031 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.507 11.628 -19.460 1.00 0.00 C ATOM 1450 C PRO A 96 -2.137 11.009 -19.714 1.00 0.00 C ATOM 1451 O PRO A 96 -1.915 10.372 -20.742 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.583 13.070 -19.969 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.317 13.905 -18.764 1.00 0.00 C ATOM 1454 CD PRO A 96 -3.945 13.160 -17.616 1.00 0.00 C ATOM 0 HA PRO A 96 -4.201 10.964 -19.975 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.846 13.255 -20.750 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.562 13.289 -20.396 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.247 14.039 -18.607 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.750 14.899 -18.871 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.429 13.357 -16.676 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.988 13.443 -17.473 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.222 11.202 -18.769 1.00 0.00 N ATOM 1463 CA GLN A 97 0.152 10.742 -18.933 1.00 0.00 C ATOM 1464 C GLN A 97 0.398 9.466 -18.134 1.00 0.00 C ATOM 1465 O GLN A 97 1.419 8.801 -18.306 1.00 0.00 O ATOM 1466 CB GLN A 97 1.137 11.828 -18.493 1.00 0.00 C ATOM 1467 CG GLN A 97 1.064 13.105 -19.312 1.00 0.00 C ATOM 1468 CD GLN A 97 2.060 14.149 -18.847 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.953 13.863 -18.046 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.911 15.372 -19.346 1.00 0.00 N ATOM 0 H GLN A 97 -1.407 11.673 -17.883 1.00 0.00 H new ATOM 0 HA GLN A 97 0.309 10.526 -19.990 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.950 12.070 -17.447 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.150 11.429 -18.552 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.249 12.872 -20.360 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.056 13.516 -19.250 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.158 15.565 -20.006 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.550 16.117 -19.068 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.545 9.131 -17.259 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.376 7.979 -16.392 1.00 0.00 C ATOM 1481 C GLY A 98 -1.499 7.845 -15.381 1.00 0.00 C ATOM 1482 O GLY A 98 -2.544 8.481 -15.515 1.00 0.00 O ATOM 0 H GLY A 98 -1.422 9.636 -17.135 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.328 7.075 -16.999 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.575 8.060 -15.866 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.282 7.012 -14.367 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.221 6.903 -13.257 1.00 0.00 C ATOM 1488 C VAL A 99 -1.577 7.347 -11.947 1.00 0.00 C ATOM 1489 O VAL A 99 -0.500 6.874 -11.580 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.744 5.463 -13.098 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.604 5.343 -11.849 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.534 5.046 -14.329 1.00 0.00 C ATOM 0 H VAL A 99 -0.466 6.404 -14.292 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.060 7.560 -13.488 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.889 4.795 -12.993 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.965 4.319 -11.753 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.011 5.603 -10.972 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.454 6.021 -11.926 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.896 4.026 -14.200 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.382 5.718 -14.462 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.891 5.094 -15.208 1.00 0.00 H new ATOM 1502 N THR A 100 -2.244 8.257 -11.246 1.00 0.00 N ATOM 1503 CA THR A 100 -1.695 8.832 -10.024 1.00 0.00 C ATOM 1504 C THR A 100 -2.291 8.169 -8.787 1.00 0.00 C ATOM 1505 O THR A 100 -3.510 8.059 -8.657 1.00 0.00 O ATOM 1506 CB THR A 100 -1.945 10.350 -9.951 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.245 11.004 -11.019 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.465 10.907 -8.621 1.00 0.00 C ATOM 0 H THR A 100 -3.165 8.612 -11.503 1.00 0.00 H new ATOM 0 HA THR A 100 -0.620 8.651 -10.048 1.00 0.00 H new ATOM 0 HB THR A 100 -3.016 10.531 -10.043 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.280 10.964 -10.851 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.650 11.981 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.003 10.421 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.397 10.719 -8.512 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.425 7.729 -7.881 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.866 7.062 -6.662 1.00 0.00 C ATOM 1518 C VAL A 101 -1.598 7.925 -5.435 1.00 0.00 C ATOM 1519 O VAL A 101 -0.450 8.253 -5.132 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.166 5.702 -6.481 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.651 5.015 -5.214 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.397 4.819 -7.699 1.00 0.00 C ATOM 0 H VAL A 101 -0.413 7.822 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.939 6.900 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.094 5.875 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.145 4.056 -5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.429 5.644 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.727 4.852 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.896 3.862 -7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.466 4.653 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.995 5.309 -8.585 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.664 8.291 -4.731 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.553 9.186 -3.585 1.00 0.00 C ATOM 1534 C ARG A 102 -2.989 8.484 -2.303 1.00 0.00 C ATOM 1535 O ARG A 102 -4.087 7.931 -2.228 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.312 10.488 -3.797 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.166 11.502 -2.674 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.902 12.774 -2.898 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.401 13.573 -4.004 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.057 14.614 -4.554 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.252 14.961 -4.132 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.477 15.263 -5.548 1.00 0.00 N ATOM 0 H ARG A 102 -3.615 7.982 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.501 9.453 -3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.970 10.944 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.370 10.259 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.517 11.051 -1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.108 11.727 -2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.952 12.545 -3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.858 13.370 -1.986 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.489 13.329 -4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.697 14.440 -3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.734 15.752 -4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.557 14.972 -5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.949 16.055 -5.984 1.00 0.00 H new ATOM 1556 N VAL A 103 -2.122 8.511 -1.296 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.382 7.810 -0.046 1.00 0.00 C ATOM 1558 C VAL A 103 -2.337 8.765 1.142 1.00 0.00 C ATOM 1559 O VAL A 103 -1.364 9.498 1.324 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.371 6.670 0.184 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.706 5.910 1.459 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.352 5.726 -1.008 1.00 0.00 C ATOM 0 H VAL A 103 -1.233 9.011 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.382 7.384 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.379 7.107 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.982 5.109 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.670 6.592 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.706 5.485 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.632 4.927 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.344 5.296 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.066 6.277 -1.904 1.00 0.00 H new ATOM 1572 N SER A 104 -3.394 8.753 1.946 1.00 0.00 N ATOM 1573 CA SER A 104 -3.390 9.454 3.224 1.00 0.00 C ATOM 1574 C SER A 104 -3.536 8.473 4.383 1.00 0.00 C ATOM 1575 O SER A 104 -4.460 7.659 4.410 1.00 0.00 O ATOM 1576 CB SER A 104 -4.502 10.485 3.259 1.00 0.00 C ATOM 1577 OG SER A 104 -4.288 11.522 2.340 1.00 0.00 O ATOM 0 H SER A 104 -4.265 8.265 1.735 1.00 0.00 H new ATOM 0 HA SER A 104 -2.433 9.965 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.453 9.999 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.579 10.901 4.263 1.00 0.00 H new ATOM 0 HG SER A 104 -5.027 12.164 2.393 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.617 8.554 5.339 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.572 7.600 6.441 1.00 0.00 C ATOM 1585 C PHE A 105 -2.154 8.286 7.739 1.00 0.00 C ATOM 1586 O PHE A 105 -1.486 9.321 7.719 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.615 6.451 6.117 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.183 6.880 5.967 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.294 7.344 4.751 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.690 6.820 7.044 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.611 7.738 4.611 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.008 7.214 6.907 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.468 7.673 5.691 1.00 0.00 C ATOM 0 H PHE A 105 -1.893 9.271 5.373 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.574 7.193 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.680 5.703 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.939 5.970 5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.372 7.398 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.336 6.462 7.999 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.969 8.096 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.678 7.162 7.753 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.497 7.981 5.584 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.554 7.705 8.865 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.253 8.280 10.170 1.00 0.00 C ATOM 1605 C VAL A 106 -0.817 7.981 10.585 1.00 0.00 C ATOM 1606 O VAL A 106 -0.364 6.839 10.510 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.212 7.752 11.255 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.827 8.305 12.620 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.649 8.118 10.919 1.00 0.00 C ATOM 0 H VAL A 106 -3.087 6.836 8.900 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.384 9.358 10.077 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.132 6.665 11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.514 7.922 13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.811 7.996 12.864 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.880 9.394 12.600 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.312 7.737 11.696 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.744 9.202 10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.922 7.677 9.960 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.106 9.014 11.022 1.00 0.00 N ATOM 1620 CA ALA A 107 1.268 8.857 11.482 1.00 0.00 C ATOM 1621 C ALA A 107 1.326 8.037 12.766 1.00 0.00 C ATOM 1622 O ALA A 107 0.533 8.245 13.684 1.00 0.00 O ATOM 1623 CB ALA A 107 1.914 10.219 11.694 1.00 0.00 C ATOM 0 H ALA A 107 -0.459 9.970 11.067 1.00 0.00 H new ATOM 0 HA ALA A 107 1.823 8.320 10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.940 10.086 12.038 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.915 10.771 10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.350 10.776 12.442 1.00 0.00 H new ATOM 1629 N GLU A 108 2.272 7.102 12.823 1.00 0.00 N ATOM 1630 CA GLU A 108 2.436 6.255 13.998 1.00 0.00 C ATOM 1631 C GLU A 108 3.156 7.007 15.114 1.00 0.00 C ATOM 1632 O GLU A 108 4.147 7.697 14.875 1.00 0.00 O ATOM 1633 CB GLU A 108 3.205 4.981 13.637 1.00 0.00 C ATOM 1634 CG GLU A 108 2.493 4.078 12.640 1.00 0.00 C ATOM 1635 CD GLU A 108 3.240 2.789 12.440 1.00 0.00 C ATOM 1636 OE1 GLU A 108 3.369 2.047 13.384 1.00 0.00 O ATOM 1637 OE2 GLU A 108 3.583 2.492 11.321 1.00 0.00 O ATOM 0 H GLU A 108 2.934 6.913 12.070 1.00 0.00 H new ATOM 0 HA GLU A 108 1.445 5.977 14.355 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.175 5.261 13.227 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.396 4.416 14.549 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.485 3.865 12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.393 4.595 11.685 1.00 0.00 H new ATOM 1644 N THR A 109 2.649 6.868 16.336 1.00 0.00 N ATOM 1645 CA THR A 109 3.221 7.560 17.483 1.00 0.00 C ATOM 1646 C THR A 109 4.587 6.989 17.845 1.00 0.00 C ATOM 1647 O THR A 109 5.430 7.683 18.411 1.00 0.00 O ATOM 1648 CB THR A 109 2.298 7.476 18.713 1.00 0.00 C ATOM 1649 OG1 THR A 109 2.105 6.103 19.075 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.949 8.111 18.412 1.00 0.00 C ATOM 0 H THR A 109 1.843 6.282 16.556 1.00 0.00 H new ATOM 0 HA THR A 109 3.332 8.606 17.195 1.00 0.00 H new ATOM 0 HB THR A 109 2.766 8.015 19.537 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.519 6.051 19.859 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.310 8.042 19.292 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.091 9.159 18.147 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.478 7.587 17.580 1.00 0.00 H new ATOM 1658 N GLU A 110 4.799 5.717 17.515 1.00 0.00 N ATOM 1659 CA GLU A 110 6.039 5.035 17.862 1.00 0.00 C ATOM 1660 C GLU A 110 7.171 5.452 16.928 1.00 0.00 C ATOM 1661 O GLU A 110 8.347 5.259 17.234 1.00 0.00 O ATOM 1662 CB GLU A 110 5.848 3.517 17.816 1.00 0.00 C ATOM 1663 CG GLU A 110 4.909 2.969 18.881 1.00 0.00 C ATOM 1664 CD GLU A 110 4.732 1.483 18.742 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.319 0.915 17.852 1.00 0.00 O ATOM 1666 OE2 GLU A 110 4.101 0.897 19.590 1.00 0.00 O ATOM 0 H GLU A 110 4.128 5.140 17.008 1.00 0.00 H new ATOM 0 HA GLU A 110 6.309 5.324 18.878 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.464 3.241 16.834 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.821 3.037 17.925 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.304 3.199 19.870 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.940 3.462 18.802 1.00 0.00 H new ATOM 1673 N TYR A 111 6.806 6.024 15.785 1.00 0.00 N ATOM 1674 CA TYR A 111 7.783 6.391 14.768 1.00 0.00 C ATOM 1675 C TYR A 111 7.651 7.863 14.391 1.00 0.00 C ATOM 1676 O TYR A 111 6.565 8.442 14.416 1.00 0.00 O ATOM 1677 CB TYR A 111 7.620 5.512 13.526 1.00 0.00 C ATOM 1678 CG TYR A 111 7.829 4.037 13.787 1.00 0.00 C ATOM 1679 CD1 TYR A 111 9.092 3.470 13.686 1.00 0.00 C ATOM 1680 CD2 TYR A 111 6.766 3.216 14.131 1.00 0.00 C ATOM 1681 CE1 TYR A 111 9.290 2.123 13.924 1.00 0.00 C ATOM 1682 CE2 TYR A 111 6.953 1.868 14.371 1.00 0.00 C ATOM 1683 CZ TYR A 111 8.217 1.325 14.265 1.00 0.00 C ATOM 1684 OH TYR A 111 8.409 -0.017 14.502 1.00 0.00 O ATOM 0 H TYR A 111 5.840 6.243 15.541 1.00 0.00 H new ATOM 0 HA TYR A 111 8.778 6.231 15.184 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.621 5.660 13.117 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.328 5.840 12.765 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.933 4.091 13.417 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.775 3.637 14.213 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.279 1.697 13.844 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.114 1.243 14.640 1.00 0.00 H new ATOM 0 HH TYR A 111 7.553 -0.434 14.731 1.00 0.00 H new ATOM 1694 N PRO A 112 8.785 8.485 14.033 1.00 0.00 N ATOM 1695 CA PRO A 112 8.811 9.873 13.561 1.00 0.00 C ATOM 1696 C PRO A 112 7.879 10.100 12.377 1.00 0.00 C ATOM 1697 O PRO A 112 7.739 9.237 11.509 1.00 0.00 O ATOM 1698 CB PRO A 112 10.277 10.107 13.183 1.00 0.00 C ATOM 1699 CG PRO A 112 11.034 9.111 13.995 1.00 0.00 C ATOM 1700 CD PRO A 112 10.151 7.893 14.057 1.00 0.00 C ATOM 0 HA PRO A 112 8.457 10.570 14.320 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.441 9.956 12.116 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.589 11.126 13.413 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.994 8.877 13.535 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.244 9.496 14.993 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.319 7.226 13.211 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.325 7.311 14.962 1.00 0.00 H new ATOM 1708 N VAL A 113 7.242 11.266 12.345 1.00 0.00 N ATOM 1709 CA VAL A 113 6.354 11.623 11.245 1.00 0.00 C ATOM 1710 C VAL A 113 7.091 11.588 9.911 1.00 0.00 C ATOM 1711 O VAL A 113 6.585 11.048 8.927 1.00 0.00 O ATOM 1712 CB VAL A 113 5.741 13.022 11.447 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.990 13.459 10.197 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.815 13.030 12.653 1.00 0.00 C ATOM 0 H VAL A 113 7.324 11.980 13.069 1.00 0.00 H new ATOM 0 HA VAL A 113 5.553 10.884 11.233 1.00 0.00 H new ATOM 0 HB VAL A 113 6.550 13.729 11.630 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.563 14.449 10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.678 13.492 9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.190 12.749 9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.391 14.026 12.780 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.011 12.311 12.499 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.378 12.759 13.546 1.00 0.00 H new ATOM 1724 N GLU A 114 8.288 12.165 9.886 1.00 0.00 N ATOM 1725 CA GLU A 114 9.096 12.192 8.673 1.00 0.00 C ATOM 1726 C GLU A 114 9.512 10.782 8.264 1.00 0.00 C ATOM 1727 O GLU A 114 9.537 10.452 7.077 1.00 0.00 O ATOM 1728 CB GLU A 114 10.333 13.071 8.873 1.00 0.00 C ATOM 1729 CG GLU A 114 10.037 14.560 8.978 1.00 0.00 C ATOM 1730 CD GLU A 114 11.278 15.344 9.301 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.302 14.739 9.509 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.231 16.549 9.230 1.00 0.00 O ATOM 0 H GLU A 114 8.719 12.619 10.691 1.00 0.00 H new ATOM 0 HA GLU A 114 8.490 12.616 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.848 12.751 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.018 12.907 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.614 14.916 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.286 14.730 9.750 1.00 0.00 H new ATOM 1739 N GLN A 115 9.838 9.957 9.253 1.00 0.00 N ATOM 1740 CA GLN A 115 10.263 8.587 8.994 1.00 0.00 C ATOM 1741 C GLN A 115 9.133 7.771 8.377 1.00 0.00 C ATOM 1742 O GLN A 115 9.356 6.972 7.469 1.00 0.00 O ATOM 1743 CB GLN A 115 10.741 7.919 10.287 1.00 0.00 C ATOM 1744 CG GLN A 115 11.264 6.506 10.100 1.00 0.00 C ATOM 1745 CD GLN A 115 12.496 6.457 9.216 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.423 7.256 9.374 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.511 5.520 8.274 1.00 0.00 N ATOM 0 H GLN A 115 9.816 10.213 10.240 1.00 0.00 H new ATOM 0 HA GLN A 115 11.091 8.623 8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.528 8.530 10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.916 7.898 10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.502 6.078 11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.481 5.887 9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.723 4.880 8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.311 5.441 7.646 1.00 0.00 H new ATOM 1756 N GLN A 116 7.919 7.979 8.879 1.00 0.00 N ATOM 1757 CA GLN A 116 6.748 7.286 8.354 1.00 0.00 C ATOM 1758 C GLN A 116 6.445 7.732 6.927 1.00 0.00 C ATOM 1759 O GLN A 116 6.111 6.914 6.071 1.00 0.00 O ATOM 1760 CB GLN A 116 5.529 7.539 9.246 1.00 0.00 C ATOM 1761 CG GLN A 116 5.540 6.760 10.550 1.00 0.00 C ATOM 1762 CD GLN A 116 5.551 5.260 10.328 1.00 0.00 C ATOM 1763 OE1 GLN A 116 6.530 4.579 10.643 1.00 0.00 O ATOM 1764 NE2 GLN A 116 4.459 4.736 9.781 1.00 0.00 N ATOM 0 H GLN A 116 7.721 8.621 9.647 1.00 0.00 H new ATOM 0 HA GLN A 116 6.967 6.218 8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.473 8.604 9.472 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.627 7.283 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.416 7.045 11.133 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.664 7.031 11.139 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.672 5.337 9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 116 4.408 3.732 9.606 1.00 0.00 H new ATOM 1773 N GLN A 117 6.564 9.032 6.680 1.00 0.00 N ATOM 1774 CA GLN A 117 6.322 9.582 5.353 1.00 0.00 C ATOM 1775 C GLN A 117 7.309 9.014 4.339 1.00 0.00 C ATOM 1776 O GLN A 117 6.912 8.523 3.282 1.00 0.00 O ATOM 1777 CB GLN A 117 6.423 11.110 5.378 1.00 0.00 C ATOM 1778 CG GLN A 117 6.200 11.771 4.029 1.00 0.00 C ATOM 1779 CD GLN A 117 6.313 13.282 4.098 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.642 13.846 5.146 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.038 13.947 2.983 1.00 0.00 N ATOM 0 H GLN A 117 6.827 9.724 7.382 1.00 0.00 H new ATOM 0 HA GLN A 117 5.314 9.298 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.692 11.500 6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.408 11.392 5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.929 11.387 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.213 11.500 3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.770 13.440 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.095 14.965 2.969 1.00 0.00 H new ATOM 1790 N GLN A 118 8.594 9.087 4.668 1.00 0.00 N ATOM 1791 CA GLN A 118 9.642 8.699 3.733 1.00 0.00 C ATOM 1792 C GLN A 118 9.647 7.190 3.514 1.00 0.00 C ATOM 1793 O GLN A 118 9.811 6.715 2.391 1.00 0.00 O ATOM 1794 CB GLN A 118 11.012 9.154 4.244 1.00 0.00 C ATOM 1795 CG GLN A 118 11.232 10.656 4.185 1.00 0.00 C ATOM 1796 CD GLN A 118 12.554 11.073 4.803 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.281 10.247 5.362 1.00 0.00 O ATOM 1798 NE2 GLN A 118 12.869 12.359 4.710 1.00 0.00 N ATOM 0 H GLN A 118 8.934 9.411 5.574 1.00 0.00 H new ATOM 0 HA GLN A 118 9.437 9.187 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.132 8.821 5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.788 8.661 3.658 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.200 10.984 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.417 11.160 4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.237 13.006 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.743 12.700 5.110 1.00 0.00 H new ATOM 1807 N GLY A 119 9.468 6.439 4.596 1.00 0.00 N ATOM 1808 CA GLY A 119 9.445 4.992 4.499 1.00 0.00 C ATOM 1809 C GLY A 119 8.287 4.483 3.664 1.00 0.00 C ATOM 1810 O GLY A 119 8.461 3.603 2.820 1.00 0.00 O ATOM 0 H GLY A 119 9.338 6.807 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.382 4.646 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.382 4.565 5.500 1.00 0.00 H new ATOM 1814 N TRP A 120 7.104 5.037 3.898 1.00 0.00 N ATOM 1815 CA TRP A 120 5.920 4.666 3.129 1.00 0.00 C ATOM 1816 C TRP A 120 6.062 5.095 1.672 1.00 0.00 C ATOM 1817 O TRP A 120 5.644 4.380 0.763 1.00 0.00 O ATOM 1818 CB TRP A 120 4.666 5.290 3.743 1.00 0.00 C ATOM 1819 CG TRP A 120 3.393 4.837 3.095 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.646 5.533 2.192 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.720 3.589 3.297 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.547 4.797 1.820 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.572 3.597 2.485 1.00 0.00 C ATOM 1824 CE3 TRP A 120 2.980 2.463 4.089 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 0.686 2.532 2.440 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 2.091 1.395 4.043 1.00 0.00 C ATOM 1827 CH2 TRP A 120 0.978 1.428 3.242 1.00 0.00 C ATOM 0 H TRP A 120 6.938 5.745 4.614 1.00 0.00 H new ATOM 0 HA TRP A 120 5.823 3.581 3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.631 5.045 4.805 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.736 6.375 3.668 1.00 0.00 H new ATOM 0 HD1 TRP A 120 2.883 6.520 1.823 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.830 5.094 1.158 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.854 2.425 4.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -0.192 2.556 1.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 2.281 0.522 4.650 1.00 0.00 H new ATOM 0 HH2 TRP A 120 0.311 0.579 3.232 1.00 0.00 H new ATOM 1838 N GLN A 121 6.654 6.267 1.459 1.00 0.00 N ATOM 1839 CA GLN A 121 6.936 6.744 0.111 1.00 0.00 C ATOM 1840 C GLN A 121 7.892 5.801 -0.612 1.00 0.00 C ATOM 1841 O GLN A 121 7.731 5.531 -1.801 1.00 0.00 O ATOM 1842 CB GLN A 121 7.532 8.154 0.154 1.00 0.00 C ATOM 1843 CG GLN A 121 7.864 8.732 -1.211 1.00 0.00 C ATOM 1844 CD GLN A 121 6.625 8.988 -2.048 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.664 9.609 -1.585 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.637 8.507 -3.285 1.00 0.00 N ATOM 0 H GLN A 121 6.947 6.902 2.202 1.00 0.00 H new ATOM 0 HA GLN A 121 5.994 6.772 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.829 8.818 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.439 8.135 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.412 9.665 -1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.523 8.045 -1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.453 7.999 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.830 8.645 -3.894 1.00 0.00 H new ATOM 1855 N ALA A 122 8.886 5.302 0.115 1.00 0.00 N ATOM 1856 CA ALA A 122 9.844 4.357 -0.447 1.00 0.00 C ATOM 1857 C ALA A 122 9.151 3.073 -0.890 1.00 0.00 C ATOM 1858 O ALA A 122 9.529 2.468 -1.894 1.00 0.00 O ATOM 1859 CB ALA A 122 10.936 4.047 0.566 1.00 0.00 C ATOM 0 H ALA A 122 9.049 5.536 1.094 1.00 0.00 H new ATOM 0 HA ALA A 122 10.298 4.816 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.644 3.340 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.458 4.967 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.490 3.612 1.460 1.00 0.00 H new ATOM 1865 N ILE A 123 8.136 2.663 -0.136 1.00 0.00 N ATOM 1866 CA ILE A 123 7.331 1.505 -0.506 1.00 0.00 C ATOM 1867 C ILE A 123 6.568 1.757 -1.802 1.00 0.00 C ATOM 1868 O ILE A 123 6.527 0.902 -2.688 1.00 0.00 O ATOM 1869 CB ILE A 123 6.331 1.134 0.605 1.00 0.00 C ATOM 1870 CG1 ILE A 123 7.074 0.626 1.843 1.00 0.00 C ATOM 1871 CG2 ILE A 123 5.345 0.090 0.105 1.00 0.00 C ATOM 1872 CD1 ILE A 123 6.203 0.514 3.073 1.00 0.00 C ATOM 0 H ILE A 123 7.852 3.115 0.733 1.00 0.00 H new ATOM 0 HA ILE A 123 8.022 0.674 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 123 5.772 2.028 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.503 -0.352 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.905 1.298 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.645 -0.161 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.795 0.488 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.886 -0.806 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.799 0.148 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.795 1.494 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.386 -0.181 2.878 1.00 0.00 H new ATOM 1884 N LEU A 124 5.966 2.937 -1.908 1.00 0.00 N ATOM 1885 CA LEU A 124 5.263 3.331 -3.125 1.00 0.00 C ATOM 1886 C LEU A 124 6.242 3.526 -4.278 1.00 0.00 C ATOM 1887 O LEU A 124 5.907 3.285 -5.438 1.00 0.00 O ATOM 1888 CB LEU A 124 4.457 4.612 -2.882 1.00 0.00 C ATOM 1889 CG LEU A 124 3.274 4.466 -1.917 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.642 5.826 -1.653 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.253 3.503 -2.506 1.00 0.00 C ATOM 0 H LEU A 124 5.950 3.637 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 124 4.574 2.531 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.129 5.377 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 124 4.082 4.973 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 124 3.628 4.065 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.803 5.710 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.383 6.492 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.287 6.251 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.412 3.399 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.897 3.890 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.718 2.529 -2.660 1.00 0.00 H new ATOM 1903 N ASN A 125 7.452 3.967 -3.953 1.00 0.00 N ATOM 1904 CA ASN A 125 8.516 4.087 -4.945 1.00 0.00 C ATOM 1905 C ASN A 125 8.911 2.718 -5.487 1.00 0.00 C ATOM 1906 O ASN A 125 9.207 2.570 -6.672 1.00 0.00 O ATOM 1907 CB ASN A 125 9.729 4.800 -4.375 1.00 0.00 C ATOM 1908 CG ASN A 125 9.512 6.269 -4.139 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.562 6.868 -4.656 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.433 6.868 -3.428 1.00 0.00 N ATOM 0 H ASN A 125 7.721 4.248 -3.010 1.00 0.00 H new ATOM 0 HA ASN A 125 8.129 4.688 -5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.008 4.327 -3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.569 4.671 -5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.387 7.876 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.197 6.327 -3.023 1.00 0.00 H new ATOM 1917 N ASN A 126 8.914 1.719 -4.610 1.00 0.00 N ATOM 1918 CA ASN A 126 9.129 0.338 -5.026 1.00 0.00 C ATOM 1919 C ASN A 126 7.992 -0.144 -5.922 1.00 0.00 C ATOM 1920 O ASN A 126 8.214 -0.884 -6.881 1.00 0.00 O ATOM 1921 CB ASN A 126 9.288 -0.585 -3.833 1.00 0.00 C ATOM 1922 CG ASN A 126 10.606 -0.438 -3.124 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.591 0.042 -3.697 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.651 -0.924 -1.910 1.00 0.00 N ATOM 0 H ASN A 126 8.770 1.840 -3.608 1.00 0.00 H new ATOM 0 HA ASN A 126 10.057 0.311 -5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.482 -0.391 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.178 -1.617 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.529 -0.918 -1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.808 -1.309 -1.483 1.00 0.00 H new ATOM 1931 N PHE A 127 6.774 0.281 -5.603 1.00 0.00 N ATOM 1932 CA PHE A 127 5.621 0.004 -6.451 1.00 0.00 C ATOM 1933 C PHE A 127 5.808 0.611 -7.839 1.00 0.00 C ATOM 1934 O PHE A 127 5.521 -0.025 -8.853 1.00 0.00 O ATOM 1935 CB PHE A 127 4.342 0.541 -5.806 1.00 0.00 C ATOM 1936 CG PHE A 127 3.096 0.248 -6.594 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.153 -0.527 -7.743 1.00 0.00 C ATOM 1938 CD2 PHE A 127 1.868 0.747 -6.189 1.00 0.00 C ATOM 1939 CE1 PHE A 127 2.008 -0.797 -8.469 1.00 0.00 C ATOM 1940 CE2 PHE A 127 0.722 0.478 -6.913 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.793 -0.294 -8.054 1.00 0.00 C ATOM 0 H PHE A 127 6.560 0.819 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 127 5.532 -1.077 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.240 0.111 -4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.435 1.620 -5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.102 -0.924 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.806 1.353 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.065 -1.402 -9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.229 0.872 -6.586 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.102 -0.504 -8.621 1.00 0.00 H new ATOM 1951 N LYS A 128 6.292 1.848 -7.875 1.00 0.00 N ATOM 1952 CA LYS A 128 6.582 2.520 -9.137 1.00 0.00 C ATOM 1953 C LYS A 128 7.613 1.739 -9.944 1.00 0.00 C ATOM 1954 O LYS A 128 7.457 1.549 -11.151 1.00 0.00 O ATOM 1955 CB LYS A 128 7.076 3.945 -8.886 1.00 0.00 C ATOM 1956 CG LYS A 128 7.383 4.736 -10.151 1.00 0.00 C ATOM 1957 CD LYS A 128 7.728 6.182 -9.829 1.00 0.00 C ATOM 1958 CE LYS A 128 7.985 6.987 -11.095 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.341 6.732 -11.651 1.00 0.00 N ATOM 0 H LYS A 128 6.492 2.406 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 128 5.658 2.567 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.322 4.482 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.975 3.902 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.215 4.271 -10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.522 4.705 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.912 6.636 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.611 6.213 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.233 6.736 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.876 8.050 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.514 7.373 -12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.055 6.898 -10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.403 5.746 -11.977 1.00 0.00 H new ATOM 1973 N ARG A 129 8.667 1.286 -9.272 1.00 0.00 N ATOM 1974 CA ARG A 129 9.702 0.490 -9.918 1.00 0.00 C ATOM 1975 C ARG A 129 9.133 -0.829 -10.430 1.00 0.00 C ATOM 1976 O ARG A 129 9.562 -1.342 -11.465 1.00 0.00 O ATOM 1977 CB ARG A 129 10.905 0.270 -9.014 1.00 0.00 C ATOM 1978 CG ARG A 129 11.758 1.505 -8.770 1.00 0.00 C ATOM 1979 CD ARG A 129 12.876 1.298 -7.814 1.00 0.00 C ATOM 1980 NE ARG A 129 13.690 2.479 -7.575 1.00 0.00 N ATOM 1981 CZ ARG A 129 14.707 2.542 -6.693 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.014 1.509 -5.940 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.373 3.678 -6.587 1.00 0.00 N ATOM 0 H ARG A 129 8.826 1.458 -8.279 1.00 0.00 H new ATOM 0 HA ARG A 129 10.060 1.057 -10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.555 -0.107 -8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.533 -0.506 -9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 129 12.168 1.843 -9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.119 2.305 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.466 0.956 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.517 0.501 -8.190 1.00 0.00 H new ATOM 0 HE ARG A 129 13.476 3.319 -8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 129 14.480 0.644 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 129 15.787 1.573 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.113 4.478 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.148 3.755 -5.928 1.00 0.00 H new ATOM 1997 N HIS A 130 8.166 -1.374 -9.700 1.00 0.00 N ATOM 1998 CA HIS A 130 7.463 -2.575 -10.137 1.00 0.00 C ATOM 1999 C HIS A 130 6.720 -2.325 -11.445 1.00 0.00 C ATOM 2000 O HIS A 130 6.770 -3.139 -12.366 1.00 0.00 O ATOM 2001 CB HIS A 130 6.484 -3.054 -9.060 1.00 0.00 C ATOM 2002 CG HIS A 130 5.743 -4.301 -9.430 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.338 -5.546 -9.433 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.459 -4.495 -9.812 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.449 -6.453 -9.800 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.303 -5.841 -10.035 1.00 0.00 N ATOM 0 H HIS A 130 7.851 -1.004 -8.803 1.00 0.00 H new ATOM 0 HA HIS A 130 8.207 -3.354 -10.304 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.033 -3.230 -8.135 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.764 -2.261 -8.858 1.00 0.00 H new ATOM 0 HD1 HIS A 130 7.310 -5.736 -9.190 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.700 -3.734 -9.921 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.629 -7.514 -9.892 1.00 0.00 H new ATOM 2013 N VAL A 131 6.030 -1.191 -11.521 1.00 0.00 N ATOM 2014 CA VAL A 131 5.365 -0.781 -12.751 1.00 0.00 C ATOM 2015 C VAL A 131 6.370 -0.571 -13.878 1.00 0.00 C ATOM 2016 O VAL A 131 6.117 -0.938 -15.025 1.00 0.00 O ATOM 2017 CB VAL A 131 4.553 0.513 -12.551 1.00 0.00 C ATOM 2018 CG1 VAL A 131 4.055 1.042 -13.888 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.385 0.270 -11.607 1.00 0.00 C ATOM 0 H VAL A 131 5.917 -0.540 -10.744 1.00 0.00 H new ATOM 0 HA VAL A 131 4.684 -1.587 -13.023 1.00 0.00 H new ATOM 0 HB VAL A 131 5.206 1.263 -12.105 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.484 1.956 -13.728 1.00 0.00 H new ATOM 0 HG12 VAL A 131 4.906 1.255 -14.535 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.418 0.294 -14.361 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.823 1.195 -11.478 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.732 -0.496 -12.026 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.762 -0.064 -10.640 1.00 0.00 H new ATOM 2029 N GLU A 132 7.513 0.020 -13.541 1.00 0.00 N ATOM 2030 CA GLU A 132 8.581 0.224 -14.511 1.00 0.00 C ATOM 2031 C GLU A 132 9.102 -1.110 -15.037 1.00 0.00 C ATOM 2032 O GLU A 132 9.558 -1.205 -16.177 1.00 0.00 O ATOM 2033 CB GLU A 132 9.723 1.030 -13.890 1.00 0.00 C ATOM 2034 CG GLU A 132 9.400 2.498 -13.652 1.00 0.00 C ATOM 2035 CD GLU A 132 10.485 3.176 -12.862 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.415 2.510 -12.474 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.444 4.377 -12.742 1.00 0.00 O ATOM 0 H GLU A 132 7.722 0.365 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 132 8.171 0.786 -15.350 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.999 0.573 -12.940 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.595 0.963 -14.541 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.274 3.004 -14.609 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.453 2.582 -13.119 1.00 0.00 H new ATOM 2044 N SER A 133 9.031 -2.138 -14.198 1.00 0.00 N ATOM 2045 CA SER A 133 9.449 -3.478 -14.594 1.00 0.00 C ATOM 2046 C SER A 133 8.436 -4.101 -15.552 1.00 0.00 C ATOM 2047 O SER A 133 8.723 -5.100 -16.212 1.00 0.00 O ATOM 2048 CB SER A 133 9.630 -4.353 -13.369 1.00 0.00 C ATOM 2049 OG SER A 133 10.655 -3.886 -12.536 1.00 0.00 O ATOM 0 H SER A 133 8.688 -2.069 -13.240 1.00 0.00 H new ATOM 0 HA SER A 133 10.404 -3.402 -15.114 1.00 0.00 H new ATOM 0 HB2 SER A 133 8.696 -4.389 -12.808 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.854 -5.373 -13.682 1.00 0.00 H new ATOM 0 HG SER A 133 10.385 -3.036 -12.131 1.00 0.00 H new ATOM 2055 N HIS A 134 7.252 -3.503 -15.620 1.00 0.00 N ATOM 2056 CA HIS A 134 6.219 -3.956 -16.547 1.00 0.00 C ATOM 2057 C HIS A 134 6.279 -3.168 -17.852 1.00 0.00 C ATOM 2058 O HIS A 134 5.353 -3.218 -18.662 1.00 0.00 O ATOM 2059 CB HIS A 134 4.829 -3.827 -15.917 1.00 0.00 C ATOM 2060 CG HIS A 134 4.581 -4.795 -14.802 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.521 -6.158 -15.002 1.00 0.00 N ATOM 2062 CD2 HIS A 134 4.376 -4.599 -13.479 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.291 -6.759 -13.847 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.199 -5.835 -12.908 1.00 0.00 N ATOM 0 H HIS A 134 6.983 -2.704 -15.046 1.00 0.00 H new ATOM 0 HA HIS A 134 6.404 -5.007 -16.767 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.704 -2.812 -15.540 1.00 0.00 H new ATOM 0 HB3 HIS A 134 4.075 -3.975 -16.690 1.00 0.00 H new ATOM 0 HD2 HIS A 134 4.355 -3.648 -12.968 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.195 -7.824 -13.697 1.00 0.00 H new ATOM 0 HE2 HIS A 134 4.025 -6.011 -11.919 1.00 0.00 H new