USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 943 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 15 GLN : amide:sc= 0.784 K(o=1.7,f=0.77) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.9 K(o=1.7,f=0.77) USER MOD Single : A 12 THR OG1 : rot 46:sc= 0.407 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 140:sc= 1.22 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -106:sc= -2.83! USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 65 THR OG1 : rot -46:sc= 1.27 USER MOD Single : A 69 ASN : amide:sc= 0.35 X(o=0.35,f=-0.062) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 90 SER OG : rot 88:sc= 0.255 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -155:sc= 1.89 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.8) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc=-0.00336 USER MOD Single : A 133 HIS : no HE2:sc= -0.0107 K(o=-0.011,f=-0.53) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 4 -15.515 10.333 -0.353 1.00 0.00 N ATOM 32 CA GLY A 4 -14.401 10.782 0.467 1.00 0.00 C ATOM 33 C GLY A 4 -13.914 12.094 -0.135 1.00 0.00 C ATOM 34 O GLY A 4 -14.549 12.610 -1.061 1.00 0.00 O ATOM 0 HA2 GLY A 4 -14.714 10.924 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.603 10.040 0.475 1.00 0.00 H new ATOM 38 N GLU A 5 -12.808 12.643 0.349 1.00 0.00 N ATOM 39 CA GLU A 5 -12.267 13.904 -0.139 1.00 0.00 C ATOM 40 C GLU A 5 -10.786 13.721 -0.493 1.00 0.00 C ATOM 41 O GLU A 5 -10.077 13.003 0.208 1.00 0.00 O ATOM 42 CB GLU A 5 -12.514 14.962 0.949 1.00 0.00 C ATOM 43 CG GLU A 5 -12.065 16.375 0.553 1.00 0.00 C ATOM 44 CD GLU A 5 -12.259 17.419 1.650 1.00 0.00 C ATOM 45 OE1 GLU A 5 -13.221 17.288 2.450 1.00 0.00 O ATOM 46 OE2 GLU A 5 -11.542 18.445 1.621 1.00 0.00 O ATOM 0 H GLU A 5 -12.257 12.222 1.097 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.756 14.239 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.577 14.982 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.989 14.665 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.011 16.346 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.619 16.686 -0.333 1.00 0.00 H new ATOM 53 N PRO A 6 -10.295 14.330 -1.583 1.00 0.00 N ATOM 54 CA PRO A 6 -8.902 14.217 -1.974 1.00 0.00 C ATOM 55 C PRO A 6 -8.004 15.053 -1.050 1.00 0.00 C ATOM 56 O PRO A 6 -8.331 16.210 -0.784 1.00 0.00 O ATOM 57 CB PRO A 6 -8.861 14.748 -3.406 1.00 0.00 C ATOM 58 CG PRO A 6 -9.975 15.791 -3.426 1.00 0.00 C ATOM 59 CD PRO A 6 -11.022 15.186 -2.505 1.00 0.00 C ATOM 0 HA PRO A 6 -8.534 13.193 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.893 15.189 -3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.038 13.956 -4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.629 16.759 -3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.364 15.948 -4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.567 15.963 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.757 14.614 -3.072 1.00 0.00 H new ATOM 67 N LEU A 7 -6.858 14.525 -0.602 1.00 0.00 N ATOM 68 CA LEU A 7 -5.937 15.257 0.262 1.00 0.00 C ATOM 69 C LEU A 7 -4.574 15.233 -0.407 1.00 0.00 C ATOM 70 O LEU A 7 -3.915 14.196 -0.433 1.00 0.00 O ATOM 71 CB LEU A 7 -5.916 14.682 1.690 1.00 0.00 C ATOM 72 CG LEU A 7 -5.464 15.683 2.774 1.00 0.00 C ATOM 73 CD1 LEU A 7 -4.071 16.278 2.533 1.00 0.00 C ATOM 74 CD2 LEU A 7 -6.467 16.828 2.970 1.00 0.00 C ATOM 0 H LEU A 7 -6.548 13.580 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.262 16.290 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.915 14.322 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.252 13.818 1.711 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.417 15.081 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.827 16.971 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.332 15.477 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.062 16.810 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.101 17.504 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.582 17.375 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.431 16.419 3.272 1.00 0.00 H new ATOM 86 N VAL A 8 -4.204 16.333 -1.045 1.00 0.00 N ATOM 87 CA VAL A 8 -2.935 16.487 -1.722 1.00 0.00 C ATOM 88 C VAL A 8 -2.057 17.227 -0.722 1.00 0.00 C ATOM 89 O VAL A 8 -2.452 18.284 -0.226 1.00 0.00 O ATOM 90 CB VAL A 8 -3.121 17.242 -3.052 1.00 0.00 C ATOM 91 CG1 VAL A 8 -1.778 17.470 -3.756 1.00 0.00 C ATOM 92 CG2 VAL A 8 -4.034 16.451 -4.007 1.00 0.00 C ATOM 0 H VAL A 8 -4.796 17.161 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.476 15.540 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.575 18.203 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.944 18.005 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.125 18.059 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.309 16.509 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.151 17.003 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.588 15.479 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.011 16.310 -3.544 1.00 0.00 H new ATOM 102 N GLY A 9 -0.918 16.637 -0.372 1.00 0.00 N ATOM 103 CA GLY A 9 0.055 17.195 0.551 1.00 0.00 C ATOM 104 C GLY A 9 0.733 18.357 -0.158 1.00 0.00 C ATOM 105 O GLY A 9 0.147 19.438 -0.271 1.00 0.00 O ATOM 0 H GLY A 9 -0.641 15.726 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.432 17.534 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.787 16.441 0.840 1.00 0.00 H new ATOM 109 N GLY A 10 1.929 18.141 -0.705 1.00 0.00 N ATOM 110 CA GLY A 10 2.620 19.216 -1.402 1.00 0.00 C ATOM 111 C GLY A 10 4.125 19.052 -1.512 1.00 0.00 C ATOM 112 O GLY A 10 4.796 20.081 -1.631 1.00 0.00 O ATOM 0 H GLY A 10 2.427 17.251 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.205 19.302 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.409 20.154 -0.889 1.00 0.00 H new ATOM 116 N ASP A 11 4.643 17.818 -1.506 1.00 0.00 N ATOM 117 CA ASP A 11 6.076 17.503 -1.576 1.00 0.00 C ATOM 118 C ASP A 11 6.751 18.045 -0.305 1.00 0.00 C ATOM 119 O ASP A 11 7.808 18.686 -0.314 1.00 0.00 O ATOM 120 CB ASP A 11 6.785 17.979 -2.837 1.00 0.00 C ATOM 121 CG ASP A 11 6.276 17.518 -4.211 1.00 0.00 C ATOM 122 OD1 ASP A 11 5.116 17.085 -4.367 1.00 0.00 O ATOM 123 OD2 ASP A 11 7.013 17.681 -5.218 1.00 0.00 O ATOM 0 H ASP A 11 4.058 16.984 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 11 6.164 16.418 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.766 19.069 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.830 17.678 -2.758 1.00 0.00 H new ATOM 128 N THR A 12 6.064 17.790 0.794 1.00 0.00 N ATOM 129 CA THR A 12 6.347 18.134 2.180 1.00 0.00 C ATOM 130 C THR A 12 6.149 16.914 3.075 1.00 0.00 C ATOM 131 O THR A 12 5.070 16.311 3.028 1.00 0.00 O ATOM 132 CB THR A 12 5.381 19.229 2.669 1.00 0.00 C ATOM 133 OG1 THR A 12 4.027 18.869 2.423 1.00 0.00 O ATOM 134 CG2 THR A 12 5.649 20.587 2.026 1.00 0.00 C ATOM 0 H THR A 12 5.187 17.274 0.730 1.00 0.00 H new ATOM 0 HA THR A 12 7.377 18.486 2.232 1.00 0.00 H new ATOM 0 HB THR A 12 5.556 19.316 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.882 17.938 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.937 21.318 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.663 20.908 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.539 20.506 0.945 1.00 0.00 H new ATOM 142 N ASP A 13 7.158 16.570 3.865 1.00 0.00 N ATOM 143 CA ASP A 13 7.114 15.454 4.794 1.00 0.00 C ATOM 144 C ASP A 13 6.100 15.781 5.878 1.00 0.00 C ATOM 145 O ASP A 13 6.163 16.821 6.533 1.00 0.00 O ATOM 146 CB ASP A 13 8.482 15.170 5.416 1.00 0.00 C ATOM 147 CG ASP A 13 9.136 16.401 6.060 1.00 0.00 C ATOM 148 OD1 ASP A 13 9.594 17.298 5.308 1.00 0.00 O ATOM 149 OD2 ASP A 13 9.166 16.510 7.308 1.00 0.00 O ATOM 0 H ASP A 13 8.047 17.071 3.876 1.00 0.00 H new ATOM 0 HA ASP A 13 6.823 14.554 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.373 14.391 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.147 14.778 4.646 1.00 0.00 H new ATOM 154 N ASP A 14 5.127 14.892 6.025 1.00 0.00 N ATOM 155 CA ASP A 14 4.039 14.993 6.993 1.00 0.00 C ATOM 156 C ASP A 14 3.396 13.608 7.093 1.00 0.00 C ATOM 157 O ASP A 14 3.856 12.660 6.444 1.00 0.00 O ATOM 158 CB ASP A 14 3.012 16.081 6.589 1.00 0.00 C ATOM 159 CG ASP A 14 3.201 17.414 7.327 1.00 0.00 C ATOM 160 OD1 ASP A 14 3.198 17.421 8.587 1.00 0.00 O ATOM 161 OD2 ASP A 14 3.267 18.469 6.655 1.00 0.00 O ATOM 0 H ASP A 14 5.070 14.049 5.453 1.00 0.00 H new ATOM 0 HA ASP A 14 4.422 15.302 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.086 16.257 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.006 15.708 6.783 1.00 0.00 H new ATOM 166 N GLN A 15 2.346 13.479 7.911 1.00 0.00 N ATOM 167 CA GLN A 15 1.627 12.231 8.118 1.00 0.00 C ATOM 168 C GLN A 15 0.166 12.388 7.710 1.00 0.00 C ATOM 169 O GLN A 15 -0.663 12.917 8.466 1.00 0.00 O ATOM 170 CB GLN A 15 1.770 11.752 9.572 1.00 0.00 C ATOM 171 CG GLN A 15 1.713 10.218 9.679 1.00 0.00 C ATOM 172 CD GLN A 15 0.915 9.694 10.868 1.00 0.00 C ATOM 173 OE1 GLN A 15 -0.070 8.966 10.737 1.00 0.00 O ATOM 174 NE2 GLN A 15 1.339 10.007 12.077 1.00 0.00 N ATOM 0 H GLN A 15 1.971 14.256 8.454 1.00 0.00 H new ATOM 0 HA GLN A 15 2.067 11.462 7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.715 12.110 9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.976 12.188 10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.279 9.819 8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.731 9.833 9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.154 10.609 12.192 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.852 9.647 12.897 1.00 0.00 H new ATOM 183 N LEU A 16 -0.158 11.984 6.487 1.00 0.00 N ATOM 184 CA LEU A 16 -1.517 12.052 5.967 1.00 0.00 C ATOM 185 C LEU A 16 -2.161 10.738 6.392 1.00 0.00 C ATOM 186 O LEU A 16 -1.819 9.684 5.862 1.00 0.00 O ATOM 187 CB LEU A 16 -1.551 12.275 4.450 1.00 0.00 C ATOM 188 CG LEU A 16 -0.673 13.406 3.888 1.00 0.00 C ATOM 189 CD1 LEU A 16 -0.911 13.504 2.375 1.00 0.00 C ATOM 190 CD2 LEU A 16 -0.991 14.754 4.538 1.00 0.00 C ATOM 0 H LEU A 16 0.517 11.599 5.827 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.064 12.908 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.256 11.345 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.583 12.472 4.160 1.00 0.00 H new ATOM 0 HG LEU A 16 0.369 13.172 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.295 14.302 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.645 12.558 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.962 13.721 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.348 15.524 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.034 15.010 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.817 14.690 5.612 1.00 0.00 H new ATOM 202 N GLN A 17 -3.013 10.782 7.413 1.00 0.00 N ATOM 203 CA GLN A 17 -3.693 9.606 7.942 1.00 0.00 C ATOM 204 C GLN A 17 -5.129 9.546 7.412 1.00 0.00 C ATOM 205 O GLN A 17 -5.685 10.572 7.001 1.00 0.00 O ATOM 206 CB GLN A 17 -3.639 9.675 9.476 1.00 0.00 C ATOM 207 CG GLN A 17 -3.881 8.310 10.132 1.00 0.00 C ATOM 208 CD GLN A 17 -3.734 8.370 11.643 1.00 0.00 C ATOM 209 OE1 GLN A 17 -4.717 8.322 12.382 1.00 0.00 O ATOM 210 NE2 GLN A 17 -2.517 8.469 12.146 1.00 0.00 N ATOM 0 H GLN A 17 -3.252 11.645 7.901 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.201 8.690 7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.666 10.056 9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.387 10.384 9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.881 7.958 9.879 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.176 7.584 9.728 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.710 8.508 11.524 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.384 8.506 13.157 1.00 0.00 H new ATOM 219 N GLY A 18 -5.747 8.369 7.491 1.00 0.00 N ATOM 220 CA GLY A 18 -7.106 8.095 7.060 1.00 0.00 C ATOM 221 C GLY A 18 -7.926 7.548 8.226 1.00 0.00 C ATOM 222 O GLY A 18 -7.732 7.954 9.374 1.00 0.00 O ATOM 0 H GLY A 18 -5.287 7.544 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.565 9.007 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.098 7.375 6.242 1.00 0.00 H new ATOM 226 N GLY A 19 -8.885 6.673 7.929 1.00 0.00 N ATOM 227 CA GLY A 19 -9.780 6.048 8.891 1.00 0.00 C ATOM 228 C GLY A 19 -10.660 5.060 8.137 1.00 0.00 C ATOM 229 O GLY A 19 -10.521 3.851 8.314 1.00 0.00 O ATOM 0 H GLY A 19 -9.064 6.370 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.210 5.537 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.391 6.801 9.389 1.00 0.00 H new ATOM 233 N SER A 20 -11.575 5.561 7.305 1.00 0.00 N ATOM 234 CA SER A 20 -12.470 4.752 6.479 1.00 0.00 C ATOM 235 C SER A 20 -13.248 5.621 5.477 1.00 0.00 C ATOM 236 O SER A 20 -13.246 6.855 5.563 1.00 0.00 O ATOM 237 CB SER A 20 -13.396 3.876 7.329 1.00 0.00 C ATOM 238 OG SER A 20 -14.215 4.653 8.179 1.00 0.00 O ATOM 0 H SER A 20 -11.717 6.564 7.185 1.00 0.00 H new ATOM 0 HA SER A 20 -11.850 4.071 5.896 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.022 3.268 6.676 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.798 3.189 7.928 1.00 0.00 H new ATOM 0 HG SER A 20 -14.794 4.062 8.705 1.00 0.00 H new ATOM 244 N GLY A 21 -14.018 4.976 4.600 1.00 0.00 N ATOM 245 CA GLY A 21 -14.831 5.508 3.533 1.00 0.00 C ATOM 246 C GLY A 21 -14.054 5.234 2.246 1.00 0.00 C ATOM 247 O GLY A 21 -13.429 4.172 2.157 1.00 0.00 O ATOM 0 H GLY A 21 -14.087 3.959 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.809 5.028 3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.003 6.576 3.667 1.00 0.00 H new ATOM 251 N ALA A 22 -14.241 6.029 1.187 1.00 0.00 N ATOM 252 CA ALA A 22 -13.456 5.866 -0.032 1.00 0.00 C ATOM 253 C ALA A 22 -12.800 7.239 -0.167 1.00 0.00 C ATOM 254 O ALA A 22 -13.303 8.121 -0.865 1.00 0.00 O ATOM 255 CB ALA A 22 -14.357 5.462 -1.204 1.00 0.00 C ATOM 0 H ALA A 22 -14.925 6.785 1.153 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.713 5.069 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.753 5.345 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.852 4.518 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.108 6.235 -1.369 1.00 0.00 H new ATOM 261 N ASP A 23 -11.608 7.371 0.402 1.00 0.00 N ATOM 262 CA ASP A 23 -10.815 8.603 0.450 1.00 0.00 C ATOM 263 C ASP A 23 -9.649 8.525 -0.537 1.00 0.00 C ATOM 264 O ASP A 23 -9.498 7.490 -1.197 1.00 0.00 O ATOM 265 CB ASP A 23 -10.452 8.903 1.915 1.00 0.00 C ATOM 266 CG ASP A 23 -10.395 10.408 2.198 1.00 0.00 C ATOM 267 OD1 ASP A 23 -11.494 11.019 2.283 1.00 0.00 O ATOM 268 OD2 ASP A 23 -9.273 10.944 2.332 1.00 0.00 O ATOM 0 H ASP A 23 -11.143 6.590 0.865 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.383 9.469 0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.187 8.438 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.487 8.454 2.148 1.00 0.00 H new ATOM 273 N ARG A 24 -8.943 9.627 -0.824 1.00 0.00 N ATOM 274 CA ARG A 24 -7.827 9.607 -1.778 1.00 0.00 C ATOM 275 C ARG A 24 -6.710 10.571 -1.362 1.00 0.00 C ATOM 276 O ARG A 24 -6.854 11.769 -1.617 1.00 0.00 O ATOM 277 CB ARG A 24 -8.332 9.982 -3.179 1.00 0.00 C ATOM 278 CG ARG A 24 -9.060 8.886 -3.935 1.00 0.00 C ATOM 279 CD ARG A 24 -10.561 9.067 -3.899 1.00 0.00 C ATOM 280 NE ARG A 24 -10.994 10.257 -4.651 1.00 0.00 N ATOM 281 CZ ARG A 24 -12.079 10.996 -4.413 1.00 0.00 C ATOM 282 NH1 ARG A 24 -13.027 10.563 -3.581 1.00 0.00 N ATOM 283 NH2 ARG A 24 -12.219 12.170 -5.021 1.00 0.00 N ATOM 0 H ARG A 24 -9.125 10.541 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.417 8.597 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.000 10.838 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.480 10.305 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.722 8.875 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.802 7.918 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.042 8.182 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.891 9.153 -2.864 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.405 10.545 -5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.927 9.659 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.853 11.136 -3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.500 12.500 -5.664 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.046 12.741 -4.844 1.00 0.00 H new ATOM 297 N LEU A 25 -5.598 10.114 -0.788 1.00 0.00 N ATOM 298 CA LEU A 25 -4.505 11.005 -0.378 1.00 0.00 C ATOM 299 C LEU A 25 -3.312 10.880 -1.319 1.00 0.00 C ATOM 300 O LEU A 25 -3.112 9.836 -1.935 1.00 0.00 O ATOM 301 CB LEU A 25 -4.163 10.845 1.106 1.00 0.00 C ATOM 302 CG LEU A 25 -3.325 9.620 1.496 1.00 0.00 C ATOM 303 CD1 LEU A 25 -3.340 9.527 3.021 1.00 0.00 C ATOM 304 CD2 LEU A 25 -3.816 8.267 0.967 1.00 0.00 C ATOM 0 H LEU A 25 -5.427 9.127 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.845 12.036 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.629 11.739 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.096 10.811 1.668 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.344 9.782 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.753 8.665 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.911 10.435 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.367 9.414 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.145 7.478 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.822 8.074 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.831 8.286 -0.123 1.00 0.00 H new ATOM 316 N ASP A 26 -2.514 11.937 -1.442 1.00 0.00 N ATOM 317 CA ASP A 26 -1.344 11.988 -2.327 1.00 0.00 C ATOM 318 C ASP A 26 -0.313 12.944 -1.747 1.00 0.00 C ATOM 319 O ASP A 26 -0.580 14.138 -1.627 1.00 0.00 O ATOM 320 CB ASP A 26 -1.859 12.480 -3.701 1.00 0.00 C ATOM 321 CG ASP A 26 -1.010 12.159 -4.933 1.00 0.00 C ATOM 322 OD1 ASP A 26 -0.035 12.889 -5.224 1.00 0.00 O ATOM 323 OD2 ASP A 26 -1.460 11.286 -5.721 1.00 0.00 O ATOM 0 H ASP A 26 -2.662 12.801 -0.921 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.862 11.016 -2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.852 12.058 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.977 13.562 -3.647 1.00 0.00 H new ATOM 328 N GLY A 27 0.836 12.418 -1.323 1.00 0.00 N ATOM 329 CA GLY A 27 1.901 13.232 -0.747 1.00 0.00 C ATOM 330 C GLY A 27 2.550 14.107 -1.815 1.00 0.00 C ATOM 331 O GLY A 27 2.453 15.342 -1.782 1.00 0.00 O ATOM 0 H GLY A 27 1.052 11.422 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.497 13.859 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.653 12.587 -0.292 1.00 0.00 H new ATOM 335 N GLY A 28 3.195 13.463 -2.789 1.00 0.00 N ATOM 336 CA GLY A 28 3.885 14.135 -3.878 1.00 0.00 C ATOM 337 C GLY A 28 5.322 13.663 -4.065 1.00 0.00 C ATOM 338 O GLY A 28 5.653 13.240 -5.175 1.00 0.00 O ATOM 0 H GLY A 28 3.250 12.446 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.333 13.972 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.884 15.209 -3.691 1.00 0.00 H new ATOM 342 N ALA A 29 6.161 13.787 -3.025 1.00 0.00 N ATOM 343 CA ALA A 29 7.576 13.398 -2.976 1.00 0.00 C ATOM 344 C ALA A 29 8.224 13.896 -1.676 1.00 0.00 C ATOM 345 O ALA A 29 8.388 15.107 -1.503 1.00 0.00 O ATOM 346 CB ALA A 29 8.380 13.980 -4.154 1.00 0.00 C ATOM 0 H ALA A 29 5.848 14.187 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 29 7.598 12.310 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.421 13.665 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.962 13.619 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.327 15.068 -4.128 1.00 0.00 H new ATOM 352 N GLY A 30 8.679 12.988 -0.815 1.00 0.00 N ATOM 353 CA GLY A 30 9.337 13.262 0.460 1.00 0.00 C ATOM 354 C GLY A 30 9.315 11.992 1.294 1.00 0.00 C ATOM 355 O GLY A 30 8.800 10.970 0.836 1.00 0.00 O ATOM 0 H GLY A 30 8.594 11.988 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.363 13.589 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.826 14.069 0.985 1.00 0.00 H new ATOM 359 N ASP A 31 9.941 11.992 2.470 1.00 0.00 N ATOM 360 CA ASP A 31 9.993 10.924 3.403 1.00 0.00 C ATOM 361 C ASP A 31 8.668 10.960 4.187 1.00 0.00 C ATOM 362 O ASP A 31 8.630 11.060 5.417 1.00 0.00 O ATOM 363 CB ASP A 31 11.272 11.130 4.242 1.00 0.00 C ATOM 364 CG ASP A 31 12.192 12.359 4.123 1.00 0.00 C ATOM 365 OD1 ASP A 31 12.859 12.498 3.070 1.00 0.00 O ATOM 366 OD2 ASP A 31 12.392 13.081 5.118 1.00 0.00 O ATOM 0 H ASP A 31 10.455 12.810 2.797 1.00 0.00 H new ATOM 0 HA ASP A 31 10.068 9.927 2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.962 11.082 5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.901 10.260 4.056 1.00 0.00 H new ATOM 371 N ASP A 32 7.564 10.912 3.443 1.00 0.00 N ATOM 372 CA ASP A 32 6.198 10.967 3.942 1.00 0.00 C ATOM 373 C ASP A 32 5.763 9.624 4.516 1.00 0.00 C ATOM 374 O ASP A 32 6.380 8.568 4.330 1.00 0.00 O ATOM 375 CB ASP A 32 5.143 11.364 2.884 1.00 0.00 C ATOM 376 CG ASP A 32 5.308 12.682 2.120 1.00 0.00 C ATOM 377 OD1 ASP A 32 6.394 13.299 2.138 1.00 0.00 O ATOM 378 OD2 ASP A 32 4.279 13.151 1.573 1.00 0.00 O ATOM 0 H ASP A 32 7.604 10.830 2.427 1.00 0.00 H new ATOM 0 HA ASP A 32 6.232 11.744 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.099 10.562 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.174 11.393 3.382 1.00 0.00 H new ATOM 383 N ILE A 33 4.671 9.701 5.267 1.00 0.00 N ATOM 384 CA ILE A 33 4.010 8.579 5.917 1.00 0.00 C ATOM 385 C ILE A 33 2.534 8.766 5.555 1.00 0.00 C ATOM 386 O ILE A 33 1.894 9.718 6.002 1.00 0.00 O ATOM 387 CB ILE A 33 4.408 8.441 7.405 1.00 0.00 C ATOM 388 CG1 ILE A 33 3.388 7.647 8.241 1.00 0.00 C ATOM 389 CG2 ILE A 33 4.804 9.765 8.086 1.00 0.00 C ATOM 390 CD1 ILE A 33 3.287 6.179 7.847 1.00 0.00 C ATOM 0 H ILE A 33 4.202 10.589 5.447 1.00 0.00 H new ATOM 0 HA ILE A 33 4.320 7.592 5.574 1.00 0.00 H new ATOM 0 HB ILE A 33 5.320 7.845 7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.663 7.714 9.294 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.407 8.111 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.068 9.574 9.126 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.660 10.199 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.965 10.460 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.550 5.683 8.478 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.982 6.103 6.803 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.257 5.700 7.977 1.00 0.00 H new ATOM 402 N LEU A 34 1.995 7.889 4.703 1.00 0.00 N ATOM 403 CA LEU A 34 0.623 7.967 4.203 1.00 0.00 C ATOM 404 C LEU A 34 -0.179 6.737 4.665 1.00 0.00 C ATOM 405 O LEU A 34 0.330 5.612 4.648 1.00 0.00 O ATOM 406 CB LEU A 34 0.701 8.194 2.665 1.00 0.00 C ATOM 407 CG LEU A 34 1.612 9.367 2.223 1.00 0.00 C ATOM 408 CD1 LEU A 34 1.712 9.435 0.703 1.00 0.00 C ATOM 409 CD2 LEU A 34 1.056 10.689 2.705 1.00 0.00 C ATOM 0 H LEU A 34 2.512 7.090 4.336 1.00 0.00 H new ATOM 0 HA LEU A 34 0.066 8.809 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.059 7.278 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.306 8.373 2.288 1.00 0.00 H new ATOM 0 HG LEU A 34 2.596 9.189 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.357 10.266 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.132 8.503 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.719 9.584 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.711 11.498 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.061 10.840 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.994 10.683 3.793 1.00 0.00 H new ATOM 421 N ASP A 35 -1.419 6.948 5.119 1.00 0.00 N ATOM 422 CA ASP A 35 -2.349 5.917 5.628 1.00 0.00 C ATOM 423 C ASP A 35 -3.785 6.247 5.221 1.00 0.00 C ATOM 424 O ASP A 35 -4.139 7.421 5.153 1.00 0.00 O ATOM 425 CB ASP A 35 -2.193 5.790 7.157 1.00 0.00 C ATOM 426 CG ASP A 35 -3.373 5.169 7.930 1.00 0.00 C ATOM 427 OD1 ASP A 35 -4.444 5.801 8.102 1.00 0.00 O ATOM 428 OD2 ASP A 35 -3.153 4.089 8.527 1.00 0.00 O ATOM 0 H ASP A 35 -1.827 7.883 5.146 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.106 4.951 5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.304 5.193 7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.008 6.785 7.563 1.00 0.00 H new ATOM 433 N GLY A 36 -4.613 5.235 4.926 1.00 0.00 N ATOM 434 CA GLY A 36 -6.002 5.405 4.497 1.00 0.00 C ATOM 435 C GLY A 36 -7.042 4.788 5.433 1.00 0.00 C ATOM 436 O GLY A 36 -8.176 5.285 5.486 1.00 0.00 O ATOM 0 H GLY A 36 -4.327 4.257 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.209 6.471 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.118 4.965 3.507 1.00 0.00 H new ATOM 440 N GLY A 37 -6.682 3.777 6.226 1.00 0.00 N ATOM 441 CA GLY A 37 -7.591 3.128 7.147 1.00 0.00 C ATOM 442 C GLY A 37 -8.144 1.832 6.577 1.00 0.00 C ATOM 443 O GLY A 37 -7.407 0.916 6.219 1.00 0.00 O ATOM 0 H GLY A 37 -5.739 3.388 6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.073 2.921 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.415 3.803 7.381 1.00 0.00 H new ATOM 447 N ALA A 38 -9.465 1.739 6.596 1.00 0.00 N ATOM 448 CA ALA A 38 -10.257 0.622 6.100 1.00 0.00 C ATOM 449 C ALA A 38 -11.168 1.136 4.989 1.00 0.00 C ATOM 450 O ALA A 38 -12.201 1.761 5.266 1.00 0.00 O ATOM 451 CB ALA A 38 -11.083 0.062 7.268 1.00 0.00 C ATOM 0 H ALA A 38 -10.047 2.484 6.980 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.624 -0.170 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.685 -0.777 6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.413 -0.276 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.738 0.841 7.657 1.00 0.00 H new ATOM 457 N GLY A 39 -10.882 0.801 3.738 1.00 0.00 N ATOM 458 CA GLY A 39 -11.676 1.211 2.625 1.00 0.00 C ATOM 459 C GLY A 39 -10.922 1.246 1.321 1.00 0.00 C ATOM 460 O GLY A 39 -9.703 1.155 1.253 1.00 0.00 O ATOM 0 H GLY A 39 -10.078 0.229 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.524 0.533 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.082 2.202 2.826 1.00 0.00 H new ATOM 464 N ARG A 40 -11.696 1.351 0.242 1.00 0.00 N ATOM 465 CA ARG A 40 -11.115 1.428 -1.077 1.00 0.00 C ATOM 466 C ARG A 40 -10.612 2.856 -1.216 1.00 0.00 C ATOM 467 O ARG A 40 -11.365 3.756 -1.610 1.00 0.00 O ATOM 468 CB ARG A 40 -12.154 1.053 -2.146 1.00 0.00 C ATOM 469 CG ARG A 40 -13.542 1.709 -1.975 1.00 0.00 C ATOM 470 CD ARG A 40 -14.518 0.711 -1.360 1.00 0.00 C ATOM 471 NE ARG A 40 -15.866 1.274 -1.187 1.00 0.00 N ATOM 472 CZ ARG A 40 -16.993 0.560 -1.273 1.00 0.00 C ATOM 473 NH1 ARG A 40 -16.952 -0.752 -1.462 1.00 0.00 N ATOM 474 NH2 ARG A 40 -18.166 1.171 -1.198 1.00 0.00 N ATOM 0 H ARG A 40 -12.715 1.384 0.264 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.295 0.724 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.759 1.326 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.279 -0.030 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.461 2.590 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.915 2.047 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.576 -0.173 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.137 0.385 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.946 2.271 -0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.053 -1.228 -1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.819 -1.285 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.207 2.183 -1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.028 0.630 -1.263 1.00 0.00 H new ATOM 488 N ASP A 41 -9.334 3.072 -0.960 1.00 0.00 N ATOM 489 CA ASP A 41 -8.716 4.380 -1.074 1.00 0.00 C ATOM 490 C ASP A 41 -7.698 4.278 -2.189 1.00 0.00 C ATOM 491 O ASP A 41 -7.382 3.190 -2.684 1.00 0.00 O ATOM 492 CB ASP A 41 -8.302 5.058 0.247 1.00 0.00 C ATOM 493 CG ASP A 41 -7.593 4.216 1.297 1.00 0.00 C ATOM 494 OD1 ASP A 41 -6.389 3.945 1.116 1.00 0.00 O ATOM 495 OD2 ASP A 41 -8.227 3.957 2.343 1.00 0.00 O ATOM 0 H ASP A 41 -8.691 2.338 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.451 5.134 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.653 5.898 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.201 5.473 0.704 1.00 0.00 H new ATOM 500 N ARG A 42 -7.327 5.433 -2.725 1.00 0.00 N ATOM 501 CA ARG A 42 -6.392 5.531 -3.828 1.00 0.00 C ATOM 502 C ARG A 42 -5.220 6.315 -3.282 1.00 0.00 C ATOM 503 O ARG A 42 -5.339 7.530 -3.096 1.00 0.00 O ATOM 504 CB ARG A 42 -7.109 6.179 -5.023 1.00 0.00 C ATOM 505 CG ARG A 42 -6.634 5.577 -6.351 1.00 0.00 C ATOM 506 CD ARG A 42 -6.952 6.522 -7.512 1.00 0.00 C ATOM 507 NE ARG A 42 -6.048 7.671 -7.460 1.00 0.00 N ATOM 508 CZ ARG A 42 -6.063 8.803 -8.159 1.00 0.00 C ATOM 509 NH1 ARG A 42 -7.077 9.101 -8.962 1.00 0.00 N ATOM 510 NH2 ARG A 42 -5.037 9.632 -8.051 1.00 0.00 N ATOM 0 H ARG A 42 -7.673 6.336 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.024 4.577 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.185 6.040 -4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.925 7.253 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.561 5.391 -6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.118 4.614 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.841 6.000 -8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.988 6.856 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.289 7.592 -6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.863 8.457 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.070 9.974 -9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.254 9.398 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.029 10.505 -8.578 1.00 0.00 H new ATOM 524 N LEU A 43 -4.149 5.604 -2.962 1.00 0.00 N ATOM 525 CA LEU A 43 -2.930 6.134 -2.393 1.00 0.00 C ATOM 526 C LEU A 43 -1.782 6.159 -3.389 1.00 0.00 C ATOM 527 O LEU A 43 -1.676 5.284 -4.246 1.00 0.00 O ATOM 528 CB LEU A 43 -2.498 5.265 -1.200 1.00 0.00 C ATOM 529 CG LEU A 43 -2.569 3.725 -1.333 1.00 0.00 C ATOM 530 CD1 LEU A 43 -1.466 3.068 -0.488 1.00 0.00 C ATOM 531 CD2 LEU A 43 -3.923 3.205 -0.846 1.00 0.00 C ATOM 0 H LEU A 43 -4.110 4.594 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.146 7.158 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.469 5.528 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.111 5.551 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.435 3.474 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.526 1.984 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.491 3.411 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.598 3.342 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.954 2.120 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.062 3.476 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.719 3.648 -1.444 1.00 0.00 H new ATOM 543 N SER A 44 -0.976 7.211 -3.312 1.00 0.00 N ATOM 544 CA SER A 44 0.213 7.443 -4.108 1.00 0.00 C ATOM 545 C SER A 44 1.145 8.275 -3.242 1.00 0.00 C ATOM 546 O SER A 44 0.718 9.258 -2.624 1.00 0.00 O ATOM 547 CB SER A 44 -0.099 8.138 -5.431 1.00 0.00 C ATOM 548 OG SER A 44 1.079 8.331 -6.182 1.00 0.00 O ATOM 0 H SER A 44 -1.150 7.968 -2.651 1.00 0.00 H new ATOM 0 HA SER A 44 0.675 6.497 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.808 7.540 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.576 9.099 -5.239 1.00 0.00 H new ATOM 0 HG SER A 44 0.896 8.154 -7.128 1.00 0.00 H new ATOM 554 N GLY A 45 2.393 7.846 -3.136 1.00 0.00 N ATOM 555 CA GLY A 45 3.405 8.549 -2.385 1.00 0.00 C ATOM 556 C GLY A 45 4.012 9.571 -3.322 1.00 0.00 C ATOM 557 O GLY A 45 3.847 10.776 -3.132 1.00 0.00 O ATOM 0 H GLY A 45 2.729 6.990 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.971 9.035 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.166 7.859 -2.020 1.00 0.00 H new ATOM 561 N GLY A 46 4.567 9.076 -4.426 1.00 0.00 N ATOM 562 CA GLY A 46 5.227 9.863 -5.453 1.00 0.00 C ATOM 563 C GLY A 46 6.660 9.356 -5.559 1.00 0.00 C ATOM 564 O GLY A 46 6.959 8.250 -5.090 1.00 0.00 O ATOM 0 H GLY A 46 4.567 8.077 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.711 9.760 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.212 10.922 -5.195 1.00 0.00 H new ATOM 568 N ALA A 47 7.540 10.083 -6.247 1.00 0.00 N ATOM 569 CA ALA A 47 8.925 9.642 -6.334 1.00 0.00 C ATOM 570 C ALA A 47 9.548 10.035 -4.990 1.00 0.00 C ATOM 571 O ALA A 47 9.940 11.190 -4.801 1.00 0.00 O ATOM 572 CB ALA A 47 9.622 10.313 -7.525 1.00 0.00 C ATOM 0 H ALA A 47 7.326 10.952 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 47 9.022 8.570 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.657 9.975 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.105 10.046 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.600 11.395 -7.397 1.00 0.00 H new ATOM 578 N GLY A 48 9.734 9.079 -4.082 1.00 0.00 N ATOM 579 CA GLY A 48 10.299 9.359 -2.776 1.00 0.00 C ATOM 580 C GLY A 48 10.335 8.127 -1.890 1.00 0.00 C ATOM 581 O GLY A 48 9.835 7.056 -2.246 1.00 0.00 O ATOM 0 H GLY A 48 9.498 8.099 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.310 9.748 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.713 10.138 -2.288 1.00 0.00 H new ATOM 585 N ALA A 49 10.991 8.278 -0.740 1.00 0.00 N ATOM 586 CA ALA A 49 11.155 7.236 0.256 1.00 0.00 C ATOM 587 C ALA A 49 9.963 7.280 1.206 1.00 0.00 C ATOM 588 O ALA A 49 10.106 7.559 2.400 1.00 0.00 O ATOM 589 CB ALA A 49 12.487 7.439 0.978 1.00 0.00 C ATOM 0 H ALA A 49 11.434 9.157 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 49 11.181 6.248 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.617 6.659 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.303 7.388 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.492 8.415 1.464 1.00 0.00 H new ATOM 595 N ASP A 50 8.796 6.946 0.682 1.00 0.00 N ATOM 596 CA ASP A 50 7.534 6.945 1.398 1.00 0.00 C ATOM 597 C ASP A 50 7.438 5.729 2.310 1.00 0.00 C ATOM 598 O ASP A 50 8.279 4.815 2.299 1.00 0.00 O ATOM 599 CB ASP A 50 6.349 6.895 0.431 1.00 0.00 C ATOM 600 CG ASP A 50 6.073 8.183 -0.325 1.00 0.00 C ATOM 601 OD1 ASP A 50 6.680 8.347 -1.411 1.00 0.00 O ATOM 602 OD2 ASP A 50 5.142 8.894 0.101 1.00 0.00 O ATOM 0 H ASP A 50 8.699 6.657 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 50 7.498 7.865 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.525 6.099 -0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.455 6.624 0.992 1.00 0.00 H new ATOM 607 N THR A 51 6.452 5.794 3.195 1.00 0.00 N ATOM 608 CA THR A 51 6.096 4.773 4.153 1.00 0.00 C ATOM 609 C THR A 51 4.576 4.675 4.113 1.00 0.00 C ATOM 610 O THR A 51 3.878 5.631 4.445 1.00 0.00 O ATOM 611 CB THR A 51 6.632 5.108 5.548 1.00 0.00 C ATOM 612 OG1 THR A 51 8.033 5.284 5.525 1.00 0.00 O ATOM 613 CG2 THR A 51 6.350 3.990 6.557 1.00 0.00 C ATOM 0 H THR A 51 5.847 6.613 3.262 1.00 0.00 H new ATOM 0 HA THR A 51 6.544 3.811 3.906 1.00 0.00 H new ATOM 0 HB THR A 51 6.123 6.024 5.847 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.351 5.499 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.748 4.271 7.532 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.274 3.833 6.635 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.827 3.069 6.222 1.00 0.00 H new ATOM 621 N PHE A 52 4.033 3.546 3.672 1.00 0.00 N ATOM 622 CA PHE A 52 2.601 3.337 3.610 1.00 0.00 C ATOM 623 C PHE A 52 2.271 2.472 4.818 1.00 0.00 C ATOM 624 O PHE A 52 3.064 1.595 5.185 1.00 0.00 O ATOM 625 CB PHE A 52 2.203 2.681 2.279 1.00 0.00 C ATOM 626 CG PHE A 52 2.573 3.430 0.999 1.00 0.00 C ATOM 627 CD1 PHE A 52 2.722 4.835 0.972 1.00 0.00 C ATOM 628 CD2 PHE A 52 2.812 2.700 -0.183 1.00 0.00 C ATOM 629 CE1 PHE A 52 3.159 5.482 -0.198 1.00 0.00 C ATOM 630 CE2 PHE A 52 3.255 3.348 -1.349 1.00 0.00 C ATOM 631 CZ PHE A 52 3.450 4.738 -1.353 1.00 0.00 C ATOM 0 H PHE A 52 4.581 2.749 3.347 1.00 0.00 H new ATOM 0 HA PHE A 52 2.039 4.270 3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.661 1.693 2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.123 2.532 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.499 5.415 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.653 1.632 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.271 6.556 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.446 2.775 -2.244 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.821 5.232 -2.239 1.00 0.00 H new ATOM 641 N VAL A 53 1.123 2.716 5.447 1.00 0.00 N ATOM 642 CA VAL A 53 0.696 1.949 6.613 1.00 0.00 C ATOM 643 C VAL A 53 -0.687 1.347 6.381 1.00 0.00 C ATOM 644 O VAL A 53 -1.585 1.985 5.824 1.00 0.00 O ATOM 645 CB VAL A 53 0.796 2.811 7.895 1.00 0.00 C ATOM 646 CG1 VAL A 53 0.102 2.181 9.116 1.00 0.00 C ATOM 647 CG2 VAL A 53 2.276 2.977 8.281 1.00 0.00 C ATOM 0 H VAL A 53 0.468 3.445 5.165 1.00 0.00 H new ATOM 0 HA VAL A 53 1.369 1.105 6.764 1.00 0.00 H new ATOM 0 HB VAL A 53 0.305 3.755 7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.212 2.840 9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.957 2.040 8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.559 1.216 9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.351 3.584 9.184 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.716 1.997 8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.811 3.468 7.468 1.00 0.00 H new ATOM 657 N PHE A 54 -0.845 0.097 6.820 1.00 0.00 N ATOM 658 CA PHE A 54 -2.087 -0.662 6.753 1.00 0.00 C ATOM 659 C PHE A 54 -2.705 -0.628 8.153 1.00 0.00 C ATOM 660 O PHE A 54 -1.983 -0.716 9.150 1.00 0.00 O ATOM 661 CB PHE A 54 -1.846 -2.120 6.340 1.00 0.00 C ATOM 662 CG PHE A 54 -1.265 -2.386 4.961 1.00 0.00 C ATOM 663 CD1 PHE A 54 -1.508 -1.519 3.876 1.00 0.00 C ATOM 664 CD2 PHE A 54 -0.470 -3.532 4.760 1.00 0.00 C ATOM 665 CE1 PHE A 54 -0.958 -1.792 2.613 1.00 0.00 C ATOM 666 CE2 PHE A 54 0.047 -3.823 3.487 1.00 0.00 C ATOM 667 CZ PHE A 54 -0.199 -2.955 2.411 1.00 0.00 C ATOM 0 H PHE A 54 -0.083 -0.430 7.246 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.744 -0.221 6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.179 -2.569 7.075 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.797 -2.648 6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.120 -0.641 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.257 -4.190 5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.120 -1.105 1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.635 -4.716 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.195 -3.182 1.431 1.00 0.00 H new ATOM 677 N SER A 55 -4.033 -0.575 8.214 1.00 0.00 N ATOM 678 CA SER A 55 -4.813 -0.513 9.440 1.00 0.00 C ATOM 679 C SER A 55 -4.990 -1.877 10.123 1.00 0.00 C ATOM 680 O SER A 55 -4.268 -2.216 11.059 1.00 0.00 O ATOM 681 CB SER A 55 -6.137 0.173 9.055 1.00 0.00 C ATOM 682 OG SER A 55 -7.208 0.039 9.978 1.00 0.00 O ATOM 0 H SER A 55 -4.615 -0.574 7.376 1.00 0.00 H new ATOM 0 HA SER A 55 -4.294 0.061 10.207 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.942 1.235 8.910 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.462 -0.226 8.094 1.00 0.00 H new ATOM 0 HG SER A 55 -7.995 0.512 9.636 1.00 0.00 H new ATOM 688 N ALA A 56 -5.974 -2.660 9.676 1.00 0.00 N ATOM 689 CA ALA A 56 -6.327 -3.962 10.218 1.00 0.00 C ATOM 690 C ALA A 56 -6.960 -4.838 9.136 1.00 0.00 C ATOM 691 O ALA A 56 -7.243 -4.363 8.034 1.00 0.00 O ATOM 692 CB ALA A 56 -7.295 -3.727 11.382 1.00 0.00 C ATOM 0 H ALA A 56 -6.568 -2.387 8.893 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.440 -4.488 10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.583 -4.685 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.808 -3.117 12.143 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.184 -3.212 11.018 1.00 0.00 H new ATOM 698 N ARG A 57 -7.218 -6.111 9.467 1.00 0.00 N ATOM 699 CA ARG A 57 -7.788 -7.140 8.590 1.00 0.00 C ATOM 700 C ARG A 57 -8.988 -6.707 7.766 1.00 0.00 C ATOM 701 O ARG A 57 -9.161 -7.224 6.668 1.00 0.00 O ATOM 702 CB ARG A 57 -8.196 -8.398 9.375 1.00 0.00 C ATOM 703 CG ARG A 57 -7.066 -9.389 9.677 1.00 0.00 C ATOM 704 CD ARG A 57 -6.388 -9.206 11.035 1.00 0.00 C ATOM 705 NE ARG A 57 -5.297 -8.224 11.028 1.00 0.00 N ATOM 706 CZ ARG A 57 -5.192 -7.157 11.824 1.00 0.00 C ATOM 707 NH1 ARG A 57 -6.209 -6.705 12.550 1.00 0.00 N ATOM 708 NH2 ARG A 57 -4.044 -6.513 11.855 1.00 0.00 N ATOM 0 H ARG A 57 -7.024 -6.468 10.403 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.972 -7.346 7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.642 -8.086 10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.971 -8.919 8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.467 -10.401 9.622 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.310 -9.303 8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.136 -8.898 11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.996 -10.167 11.367 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.548 -8.371 10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.112 -7.177 12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.086 -5.886 13.146 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.264 -6.833 11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.934 -5.694 12.454 1.00 0.00 H new ATOM 722 N GLU A 58 -9.815 -5.783 8.235 1.00 0.00 N ATOM 723 CA GLU A 58 -10.978 -5.355 7.482 1.00 0.00 C ATOM 724 C GLU A 58 -10.576 -4.671 6.168 1.00 0.00 C ATOM 725 O GLU A 58 -11.426 -4.529 5.294 1.00 0.00 O ATOM 726 CB GLU A 58 -11.871 -4.474 8.366 1.00 0.00 C ATOM 727 CG GLU A 58 -12.322 -5.168 9.671 1.00 0.00 C ATOM 728 CD GLU A 58 -11.216 -5.290 10.728 1.00 0.00 C ATOM 729 OE1 GLU A 58 -10.301 -4.443 10.740 1.00 0.00 O ATOM 730 OE2 GLU A 58 -11.198 -6.258 11.524 1.00 0.00 O ATOM 0 H GLU A 58 -9.699 -5.317 9.135 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.560 -6.230 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.332 -3.560 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.753 -4.178 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.157 -4.611 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.692 -6.165 9.431 1.00 0.00 H new ATOM 737 N ASP A 59 -9.294 -4.304 6.001 1.00 0.00 N ATOM 738 CA ASP A 59 -8.758 -3.653 4.802 1.00 0.00 C ATOM 739 C ASP A 59 -7.970 -4.578 3.875 1.00 0.00 C ATOM 740 O ASP A 59 -7.398 -4.219 2.853 1.00 0.00 O ATOM 741 CB ASP A 59 -7.921 -2.432 5.178 1.00 0.00 C ATOM 742 CG ASP A 59 -7.792 -1.537 3.954 1.00 0.00 C ATOM 743 OD1 ASP A 59 -8.870 -1.116 3.484 1.00 0.00 O ATOM 744 OD2 ASP A 59 -6.642 -1.334 3.502 1.00 0.00 O ATOM 0 H ASP A 59 -8.586 -4.458 6.719 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.631 -3.340 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.392 -1.888 5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.936 -2.741 5.526 1.00 0.00 H new ATOM 749 N SER A 60 -7.909 -5.828 4.275 1.00 0.00 N ATOM 750 CA SER A 60 -7.220 -6.898 3.593 1.00 0.00 C ATOM 751 C SER A 60 -8.081 -7.617 2.574 1.00 0.00 C ATOM 752 O SER A 60 -7.594 -8.137 1.575 1.00 0.00 O ATOM 753 CB SER A 60 -6.889 -7.954 4.638 1.00 0.00 C ATOM 754 OG SER A 60 -5.997 -7.495 5.624 1.00 0.00 O ATOM 0 H SER A 60 -8.364 -6.142 5.132 1.00 0.00 H new ATOM 0 HA SER A 60 -6.361 -6.455 3.088 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.811 -8.285 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.457 -8.824 4.143 1.00 0.00 H new ATOM 0 HG SER A 60 -5.113 -7.890 5.475 1.00 0.00 H new ATOM 760 N TYR A 61 -9.379 -7.673 2.812 1.00 0.00 N ATOM 761 CA TYR A 61 -10.297 -8.403 1.975 1.00 0.00 C ATOM 762 C TYR A 61 -11.579 -7.645 1.755 1.00 0.00 C ATOM 763 O TYR A 61 -11.823 -6.559 2.280 1.00 0.00 O ATOM 764 CB TYR A 61 -10.567 -9.721 2.733 1.00 0.00 C ATOM 765 CG TYR A 61 -10.955 -9.573 4.206 1.00 0.00 C ATOM 766 CD1 TYR A 61 -12.204 -9.033 4.579 1.00 0.00 C ATOM 767 CD2 TYR A 61 -10.094 -10.060 5.211 1.00 0.00 C ATOM 768 CE1 TYR A 61 -12.579 -8.963 5.933 1.00 0.00 C ATOM 769 CE2 TYR A 61 -10.482 -10.037 6.564 1.00 0.00 C ATOM 770 CZ TYR A 61 -11.722 -9.471 6.934 1.00 0.00 C ATOM 771 OH TYR A 61 -12.113 -9.426 8.239 1.00 0.00 O ATOM 0 H TYR A 61 -9.824 -7.206 3.602 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.879 -8.571 0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.364 -10.257 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.674 -10.343 2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -12.879 -8.670 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.126 -10.455 4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -13.525 -8.520 6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.831 -10.452 7.319 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.413 -9.815 8.804 1.00 0.00 H new ATOM 781 N ARG A 62 -12.448 -8.307 1.012 1.00 0.00 N ATOM 782 CA ARG A 62 -13.770 -7.837 0.665 1.00 0.00 C ATOM 783 C ARG A 62 -14.768 -8.743 1.343 1.00 0.00 C ATOM 784 O ARG A 62 -14.431 -9.860 1.748 1.00 0.00 O ATOM 785 CB ARG A 62 -13.978 -7.978 -0.845 1.00 0.00 C ATOM 786 CG ARG A 62 -13.764 -9.409 -1.393 1.00 0.00 C ATOM 787 CD ARG A 62 -15.065 -10.113 -1.812 1.00 0.00 C ATOM 788 NE ARG A 62 -15.766 -9.439 -2.908 1.00 0.00 N ATOM 789 CZ ARG A 62 -15.333 -9.264 -4.156 1.00 0.00 C ATOM 790 NH1 ARG A 62 -14.141 -9.707 -4.529 1.00 0.00 N ATOM 791 NH2 ARG A 62 -16.100 -8.633 -5.028 1.00 0.00 N ATOM 0 H ARG A 62 -12.239 -9.225 0.619 1.00 0.00 H new ATOM 0 HA ARG A 62 -13.890 -6.797 0.968 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -14.990 -7.656 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.295 -7.301 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.094 -9.363 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.266 -10.009 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.835 -11.135 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.729 -10.175 -0.950 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.689 -9.062 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.543 -10.189 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.822 -9.566 -5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.015 -8.284 -4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.776 -8.495 -5.985 1.00 0.00 H new ATOM 805 N THR A 63 -15.987 -8.260 1.437 1.00 0.00 N ATOM 806 CA THR A 63 -17.079 -9.003 2.026 1.00 0.00 C ATOM 807 C THR A 63 -18.184 -9.012 0.967 1.00 0.00 C ATOM 808 O THR A 63 -17.989 -8.480 -0.133 1.00 0.00 O ATOM 809 CB THR A 63 -17.427 -8.455 3.421 1.00 0.00 C ATOM 810 OG1 THR A 63 -17.564 -7.053 3.412 1.00 0.00 O ATOM 811 CG2 THR A 63 -16.341 -8.791 4.451 1.00 0.00 C ATOM 0 H THR A 63 -16.251 -7.333 1.104 1.00 0.00 H new ATOM 0 HA THR A 63 -16.847 -10.042 2.258 1.00 0.00 H new ATOM 0 HB THR A 63 -18.370 -8.928 3.693 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.786 -6.740 4.314 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.624 -8.387 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.233 -9.873 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 63 -15.394 -8.352 4.137 1.00 0.00 H new ATOM 819 N ASP A 64 -19.316 -9.634 1.273 1.00 0.00 N ATOM 820 CA ASP A 64 -20.496 -9.787 0.433 1.00 0.00 C ATOM 821 C ASP A 64 -21.031 -8.428 -0.015 1.00 0.00 C ATOM 822 O ASP A 64 -21.955 -7.865 0.567 1.00 0.00 O ATOM 823 CB ASP A 64 -21.568 -10.591 1.179 1.00 0.00 C ATOM 824 CG ASP A 64 -21.350 -12.097 1.089 1.00 0.00 C ATOM 825 OD1 ASP A 64 -20.193 -12.555 1.179 1.00 0.00 O ATOM 826 OD2 ASP A 64 -22.369 -12.811 0.935 1.00 0.00 O ATOM 0 H ASP A 64 -19.442 -10.077 2.183 1.00 0.00 H new ATOM 0 HA ASP A 64 -20.217 -10.336 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.575 -10.292 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -22.548 -10.346 0.771 1.00 0.00 H new ATOM 831 N THR A 65 -20.459 -7.948 -1.110 1.00 0.00 N ATOM 832 CA THR A 65 -20.648 -6.720 -1.874 1.00 0.00 C ATOM 833 C THR A 65 -19.811 -5.541 -1.361 1.00 0.00 C ATOM 834 O THR A 65 -19.644 -4.577 -2.113 1.00 0.00 O ATOM 835 CB THR A 65 -22.127 -6.360 -2.128 1.00 0.00 C ATOM 836 OG1 THR A 65 -22.822 -5.952 -0.969 1.00 0.00 O ATOM 837 CG2 THR A 65 -22.903 -7.513 -2.768 1.00 0.00 C ATOM 0 H THR A 65 -19.731 -8.506 -1.555 1.00 0.00 H new ATOM 0 HA THR A 65 -20.245 -6.947 -2.861 1.00 0.00 H new ATOM 0 HB THR A 65 -22.077 -5.515 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 65 -22.625 -6.570 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 65 -23.938 -7.211 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 65 -22.449 -7.770 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 65 -22.875 -8.380 -2.109 1.00 0.00 H new ATOM 845 N ALA A 66 -19.244 -5.570 -0.145 1.00 0.00 N ATOM 846 CA ALA A 66 -18.440 -4.468 0.357 1.00 0.00 C ATOM 847 C ALA A 66 -16.973 -4.788 0.086 1.00 0.00 C ATOM 848 O ALA A 66 -16.265 -5.387 0.895 1.00 0.00 O ATOM 849 CB ALA A 66 -18.754 -4.116 1.812 1.00 0.00 C ATOM 0 H ALA A 66 -19.334 -6.352 0.504 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.692 -3.551 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -18.122 -3.287 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -19.802 -3.828 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -18.562 -4.982 2.445 1.00 0.00 H new ATOM 855 N VAL A 67 -16.519 -4.435 -1.110 1.00 0.00 N ATOM 856 CA VAL A 67 -15.149 -4.645 -1.545 1.00 0.00 C ATOM 857 C VAL A 67 -14.327 -3.477 -1.010 1.00 0.00 C ATOM 858 O VAL A 67 -14.670 -2.330 -1.270 1.00 0.00 O ATOM 859 CB VAL A 67 -15.079 -4.756 -3.080 1.00 0.00 C ATOM 860 CG1 VAL A 67 -13.750 -5.356 -3.559 1.00 0.00 C ATOM 861 CG2 VAL A 67 -16.225 -5.613 -3.653 1.00 0.00 C ATOM 0 H VAL A 67 -17.105 -3.987 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.748 -5.582 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 67 -15.169 -3.733 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -13.748 -5.414 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.925 -4.725 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.631 -6.356 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -16.135 -5.663 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -16.170 -6.619 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -17.182 -5.164 -3.389 1.00 0.00 H new ATOM 871 N PHE A 68 -13.265 -3.755 -0.260 1.00 0.00 N ATOM 872 CA PHE A 68 -12.366 -2.752 0.320 1.00 0.00 C ATOM 873 C PHE A 68 -11.024 -2.803 -0.430 1.00 0.00 C ATOM 874 O PHE A 68 -9.978 -2.526 0.146 1.00 0.00 O ATOM 875 CB PHE A 68 -12.186 -3.022 1.835 1.00 0.00 C ATOM 876 CG PHE A 68 -13.258 -2.500 2.778 1.00 0.00 C ATOM 877 CD1 PHE A 68 -14.626 -2.743 2.555 1.00 0.00 C ATOM 878 CD2 PHE A 68 -12.869 -1.789 3.930 1.00 0.00 C ATOM 879 CE1 PHE A 68 -15.586 -2.235 3.445 1.00 0.00 C ATOM 880 CE2 PHE A 68 -13.833 -1.257 4.804 1.00 0.00 C ATOM 881 CZ PHE A 68 -15.195 -1.470 4.555 1.00 0.00 C ATOM 0 H PHE A 68 -12.995 -4.711 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.787 -1.752 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.111 -4.100 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -11.232 -2.593 2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.938 -3.321 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.819 -1.651 4.144 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.634 -2.434 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -13.524 -0.685 5.666 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.940 -1.048 5.213 1.00 0.00 H new ATOM 891 N ASN A 69 -10.998 -3.233 -1.699 1.00 0.00 N ATOM 892 CA ASN A 69 -9.744 -3.314 -2.423 1.00 0.00 C ATOM 893 C ASN A 69 -9.078 -1.949 -2.571 1.00 0.00 C ATOM 894 O ASN A 69 -9.703 -0.961 -2.965 1.00 0.00 O ATOM 895 CB ASN A 69 -9.848 -4.034 -3.779 1.00 0.00 C ATOM 896 CG ASN A 69 -10.195 -3.118 -4.946 1.00 0.00 C ATOM 897 OD1 ASN A 69 -11.337 -3.082 -5.391 1.00 0.00 O ATOM 898 ND2 ASN A 69 -9.231 -2.405 -5.516 1.00 0.00 N ATOM 0 H ASN A 69 -11.820 -3.523 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.102 -3.939 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.900 -4.529 -3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.605 -4.815 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.439 -1.824 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.283 -2.438 -5.142 1.00 0.00 H new ATOM 905 N ASP A 70 -7.780 -1.955 -2.330 1.00 0.00 N ATOM 906 CA ASP A 70 -6.856 -0.834 -2.420 1.00 0.00 C ATOM 907 C ASP A 70 -6.373 -0.779 -3.881 1.00 0.00 C ATOM 908 O ASP A 70 -6.560 -1.740 -4.655 1.00 0.00 O ATOM 909 CB ASP A 70 -5.739 -1.099 -1.373 1.00 0.00 C ATOM 910 CG ASP A 70 -4.312 -0.592 -1.649 1.00 0.00 C ATOM 911 OD1 ASP A 70 -4.108 0.357 -2.423 1.00 0.00 O ATOM 912 OD2 ASP A 70 -3.377 -1.183 -1.058 1.00 0.00 O ATOM 0 H ASP A 70 -7.305 -2.811 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.285 0.141 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.065 -0.663 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.680 -2.177 -1.222 1.00 0.00 H new ATOM 917 N LEU A 71 -5.945 0.401 -4.321 1.00 0.00 N ATOM 918 CA LEU A 71 -5.390 0.654 -5.637 1.00 0.00 C ATOM 919 C LEU A 71 -4.246 1.631 -5.382 1.00 0.00 C ATOM 920 O LEU A 71 -4.509 2.809 -5.120 1.00 0.00 O ATOM 921 CB LEU A 71 -6.451 1.196 -6.609 1.00 0.00 C ATOM 922 CG LEU A 71 -5.855 1.839 -7.878 1.00 0.00 C ATOM 923 CD1 LEU A 71 -4.916 0.910 -8.662 1.00 0.00 C ATOM 924 CD2 LEU A 71 -6.982 2.304 -8.806 1.00 0.00 C ATOM 0 H LEU A 71 -5.979 1.240 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.033 -0.252 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.114 0.381 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.063 1.934 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.256 2.682 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.537 1.433 -9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.081 0.616 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.463 0.021 -8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.554 2.757 -9.700 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.595 1.449 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.600 3.037 -8.288 1.00 0.00 H new ATOM 936 N ILE A 72 -2.997 1.157 -5.453 1.00 0.00 N ATOM 937 CA ILE A 72 -1.847 2.028 -5.219 1.00 0.00 C ATOM 938 C ILE A 72 -1.429 2.588 -6.565 1.00 0.00 C ATOM 939 O ILE A 72 -1.361 1.826 -7.529 1.00 0.00 O ATOM 940 CB ILE A 72 -0.655 1.263 -4.609 1.00 0.00 C ATOM 941 CG1 ILE A 72 -1.067 0.515 -3.327 1.00 0.00 C ATOM 942 CG2 ILE A 72 0.537 2.220 -4.365 1.00 0.00 C ATOM 943 CD1 ILE A 72 0.083 -0.200 -2.614 1.00 0.00 C ATOM 0 H ILE A 72 -2.762 0.188 -5.668 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.130 2.810 -4.514 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.330 0.507 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.520 1.226 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.834 -0.218 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.369 1.663 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.848 2.662 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.235 3.010 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.296 -0.700 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.524 -0.938 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.842 0.528 -2.327 1.00 0.00 H new ATOM 955 N LEU A 73 -1.201 3.893 -6.653 1.00 0.00 N ATOM 956 CA LEU A 73 -0.751 4.585 -7.849 1.00 0.00 C ATOM 957 C LEU A 73 0.700 5.007 -7.662 1.00 0.00 C ATOM 958 O LEU A 73 1.192 5.096 -6.541 1.00 0.00 O ATOM 959 CB LEU A 73 -1.625 5.808 -8.145 1.00 0.00 C ATOM 960 CG LEU A 73 -2.622 5.564 -9.287 1.00 0.00 C ATOM 961 CD1 LEU A 73 -3.658 4.498 -8.925 1.00 0.00 C ATOM 962 CD2 LEU A 73 -3.345 6.876 -9.582 1.00 0.00 C ATOM 0 H LEU A 73 -1.331 4.521 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.833 3.908 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.172 6.085 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.985 6.653 -8.401 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.068 5.209 -10.156 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.343 4.358 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.152 3.557 -8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.218 4.819 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.059 6.724 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.874 7.208 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.619 7.634 -9.876 1.00 0.00 H new ATOM 974 N ASP A 74 1.353 5.299 -8.784 1.00 0.00 N ATOM 975 CA ASP A 74 2.730 5.775 -8.944 1.00 0.00 C ATOM 976 C ASP A 74 3.708 5.120 -7.959 1.00 0.00 C ATOM 977 O ASP A 74 4.474 5.795 -7.268 1.00 0.00 O ATOM 978 CB ASP A 74 2.768 7.321 -8.901 1.00 0.00 C ATOM 979 CG ASP A 74 1.543 7.999 -9.525 1.00 0.00 C ATOM 980 OD1 ASP A 74 1.253 7.744 -10.713 1.00 0.00 O ATOM 981 OD2 ASP A 74 0.798 8.705 -8.797 1.00 0.00 O ATOM 0 H ASP A 74 0.892 5.200 -9.689 1.00 0.00 H new ATOM 0 HA ASP A 74 3.081 5.462 -9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.857 7.642 -7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.663 7.665 -9.419 1.00 0.00 H new ATOM 986 N PHE A 75 3.640 3.794 -7.836 1.00 0.00 N ATOM 987 CA PHE A 75 4.485 3.003 -6.946 1.00 0.00 C ATOM 988 C PHE A 75 5.944 3.113 -7.412 1.00 0.00 C ATOM 989 O PHE A 75 6.186 2.922 -8.606 1.00 0.00 O ATOM 990 CB PHE A 75 3.964 1.561 -6.990 1.00 0.00 C ATOM 991 CG PHE A 75 4.696 0.602 -6.081 1.00 0.00 C ATOM 992 CD1 PHE A 75 4.580 0.733 -4.685 1.00 0.00 C ATOM 993 CD2 PHE A 75 5.470 -0.439 -6.626 1.00 0.00 C ATOM 994 CE1 PHE A 75 5.245 -0.167 -3.838 1.00 0.00 C ATOM 995 CE2 PHE A 75 6.126 -1.343 -5.774 1.00 0.00 C ATOM 996 CZ PHE A 75 6.036 -1.189 -4.382 1.00 0.00 C ATOM 0 H PHE A 75 2.978 3.228 -8.367 1.00 0.00 H new ATOM 0 HA PHE A 75 4.450 3.360 -5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.908 1.562 -6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.032 1.195 -8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.979 1.526 -4.265 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.560 -0.543 -7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.147 -0.072 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.700 -2.157 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 75 6.577 -1.858 -3.729 1.00 0.00 H new ATOM 1006 N GLU A 76 6.898 3.374 -6.506 1.00 0.00 N ATOM 1007 CA GLU A 76 8.325 3.531 -6.815 1.00 0.00 C ATOM 1008 C GLU A 76 9.172 2.711 -5.821 1.00 0.00 C ATOM 1009 O GLU A 76 9.750 3.238 -4.867 1.00 0.00 O ATOM 1010 CB GLU A 76 8.672 5.042 -6.845 1.00 0.00 C ATOM 1011 CG GLU A 76 9.542 5.466 -8.038 1.00 0.00 C ATOM 1012 CD GLU A 76 10.957 4.882 -8.037 1.00 0.00 C ATOM 1013 OE1 GLU A 76 11.123 3.663 -8.283 1.00 0.00 O ATOM 1014 OE2 GLU A 76 11.932 5.661 -7.905 1.00 0.00 O ATOM 0 H GLU A 76 6.692 3.484 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 76 8.560 3.134 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.745 5.616 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.190 5.303 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.041 5.168 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.612 6.554 -8.051 1.00 0.00 H new ATOM 1021 N ALA A 77 9.279 1.402 -6.085 1.00 0.00 N ATOM 1022 CA ALA A 77 10.005 0.398 -5.292 1.00 0.00 C ATOM 1023 C ALA A 77 11.492 0.690 -5.000 1.00 0.00 C ATOM 1024 O ALA A 77 12.162 -0.082 -4.304 1.00 0.00 O ATOM 1025 CB ALA A 77 9.844 -0.969 -5.966 1.00 0.00 C ATOM 0 H ALA A 77 8.835 0.990 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 77 9.548 0.423 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.377 -1.724 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.786 -1.229 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.253 -0.927 -6.975 1.00 0.00 H new ATOM 1031 N SER A 78 12.049 1.754 -5.571 1.00 0.00 N ATOM 1032 CA SER A 78 13.427 2.158 -5.369 1.00 0.00 C ATOM 1033 C SER A 78 13.619 2.676 -3.932 1.00 0.00 C ATOM 1034 O SER A 78 14.589 2.301 -3.264 1.00 0.00 O ATOM 1035 CB SER A 78 13.718 3.237 -6.412 1.00 0.00 C ATOM 1036 OG SER A 78 15.083 3.577 -6.513 1.00 0.00 O ATOM 0 H SER A 78 11.537 2.371 -6.202 1.00 0.00 H new ATOM 0 HA SER A 78 14.120 1.325 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.366 2.894 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.147 4.132 -6.164 1.00 0.00 H new ATOM 0 HG SER A 78 15.198 4.269 -7.197 1.00 0.00 H new ATOM 1042 N GLU A 79 12.678 3.485 -3.422 1.00 0.00 N ATOM 1043 CA GLU A 79 12.758 4.070 -2.086 1.00 0.00 C ATOM 1044 C GLU A 79 11.533 3.840 -1.186 1.00 0.00 C ATOM 1045 O GLU A 79 11.718 3.850 0.034 1.00 0.00 O ATOM 1046 CB GLU A 79 13.042 5.582 -2.203 1.00 0.00 C ATOM 1047 CG GLU A 79 14.008 6.042 -3.305 1.00 0.00 C ATOM 1048 CD GLU A 79 14.445 7.507 -3.113 1.00 0.00 C ATOM 1049 OE1 GLU A 79 13.627 8.424 -3.344 1.00 0.00 O ATOM 1050 OE2 GLU A 79 15.617 7.751 -2.730 1.00 0.00 O ATOM 0 H GLU A 79 11.836 3.750 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 79 13.574 3.544 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.091 6.091 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.436 5.925 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.888 5.398 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.528 5.931 -4.277 1.00 0.00 H new ATOM 1057 N ASP A 80 10.329 3.614 -1.725 1.00 0.00 N ATOM 1058 CA ASP A 80 9.085 3.422 -0.953 1.00 0.00 C ATOM 1059 C ASP A 80 9.089 2.213 0.014 1.00 0.00 C ATOM 1060 O ASP A 80 9.885 1.275 -0.140 1.00 0.00 O ATOM 1061 CB ASP A 80 7.872 3.398 -1.913 1.00 0.00 C ATOM 1062 CG ASP A 80 7.222 2.020 -2.016 1.00 0.00 C ATOM 1063 OD1 ASP A 80 7.774 1.156 -2.730 1.00 0.00 O ATOM 1064 OD2 ASP A 80 6.262 1.746 -1.257 1.00 0.00 O ATOM 0 H ASP A 80 10.184 3.557 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 80 9.006 4.280 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.130 4.119 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.193 3.717 -2.904 1.00 0.00 H new ATOM 1069 N ARG A 81 8.174 2.220 1.002 1.00 0.00 N ATOM 1070 CA ARG A 81 7.995 1.169 2.032 1.00 0.00 C ATOM 1071 C ARG A 81 6.540 0.832 2.365 1.00 0.00 C ATOM 1072 O ARG A 81 5.654 1.672 2.275 1.00 0.00 O ATOM 1073 CB ARG A 81 8.602 1.602 3.344 1.00 0.00 C ATOM 1074 CG ARG A 81 10.086 1.877 3.207 1.00 0.00 C ATOM 1075 CD ARG A 81 10.518 2.196 4.620 1.00 0.00 C ATOM 1076 NE ARG A 81 11.833 2.828 4.607 1.00 0.00 N ATOM 1077 CZ ARG A 81 12.948 2.378 5.169 1.00 0.00 C ATOM 1078 NH1 ARG A 81 12.883 1.418 6.082 1.00 0.00 N ATOM 1079 NH2 ARG A 81 14.110 2.886 4.794 1.00 0.00 N ATOM 0 H ARG A 81 7.511 2.987 1.112 1.00 0.00 H new ATOM 0 HA ARG A 81 8.476 0.296 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.096 2.499 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.442 0.826 4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.619 1.013 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.279 2.710 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.791 2.858 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.550 1.283 5.215 1.00 0.00 H new ATOM 0 HE ARG A 81 11.903 3.716 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.979 1.029 6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.737 1.069 6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.142 3.615 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.974 2.549 5.218 1.00 0.00 H new ATOM 1093 N ILE A 82 6.282 -0.357 2.913 1.00 0.00 N ATOM 1094 CA ILE A 82 4.936 -0.785 3.307 1.00 0.00 C ATOM 1095 C ILE A 82 5.058 -1.505 4.645 1.00 0.00 C ATOM 1096 O ILE A 82 5.900 -2.395 4.822 1.00 0.00 O ATOM 1097 CB ILE A 82 4.265 -1.684 2.242 1.00 0.00 C ATOM 1098 CG1 ILE A 82 4.105 -0.974 0.880 1.00 0.00 C ATOM 1099 CG2 ILE A 82 2.865 -2.141 2.678 1.00 0.00 C ATOM 1100 CD1 ILE A 82 3.435 -1.803 -0.226 1.00 0.00 C ATOM 0 H ILE A 82 7.003 -1.054 3.097 1.00 0.00 H new ATOM 0 HA ILE A 82 4.289 0.088 3.398 1.00 0.00 H new ATOM 0 HB ILE A 82 4.933 -2.539 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.523 -0.065 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.091 -0.667 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.429 -2.770 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.940 -2.709 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.231 -1.269 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.373 -1.210 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.024 -2.700 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.432 -2.088 0.090 1.00 0.00 H new ATOM 1112 N ASP A 83 4.243 -1.099 5.617 1.00 0.00 N ATOM 1113 CA ASP A 83 4.230 -1.720 6.934 1.00 0.00 C ATOM 1114 C ASP A 83 3.344 -2.968 6.869 1.00 0.00 C ATOM 1115 O ASP A 83 2.116 -2.880 6.871 1.00 0.00 O ATOM 1116 CB ASP A 83 3.744 -0.728 7.995 1.00 0.00 C ATOM 1117 CG ASP A 83 3.489 -1.397 9.344 1.00 0.00 C ATOM 1118 OD1 ASP A 83 4.186 -2.365 9.721 1.00 0.00 O ATOM 1119 OD2 ASP A 83 2.564 -0.968 10.069 1.00 0.00 O ATOM 0 H ASP A 83 3.577 -0.334 5.512 1.00 0.00 H new ATOM 0 HA ASP A 83 5.239 -2.015 7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.486 0.061 8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.827 -0.251 7.650 1.00 0.00 H new ATOM 1124 N LEU A 84 3.956 -4.147 6.743 1.00 0.00 N ATOM 1125 CA LEU A 84 3.267 -5.442 6.674 1.00 0.00 C ATOM 1126 C LEU A 84 2.923 -5.938 8.092 1.00 0.00 C ATOM 1127 O LEU A 84 2.620 -7.119 8.268 1.00 0.00 O ATOM 1128 CB LEU A 84 4.145 -6.492 5.940 1.00 0.00 C ATOM 1129 CG LEU A 84 4.165 -6.507 4.399 1.00 0.00 C ATOM 1130 CD1 LEU A 84 2.823 -6.949 3.812 1.00 0.00 C ATOM 1131 CD2 LEU A 84 4.590 -5.179 3.783 1.00 0.00 C ATOM 0 H LEU A 84 4.971 -4.232 6.684 1.00 0.00 H new ATOM 0 HA LEU A 84 2.343 -5.310 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.172 -6.358 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.825 -7.479 6.274 1.00 0.00 H new ATOM 0 HG LEU A 84 4.925 -7.243 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.883 -6.945 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.588 -7.955 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.041 -6.262 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.581 -5.263 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.897 -4.396 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.596 -4.927 4.119 1.00 0.00 H new ATOM 1143 N SER A 85 3.020 -5.115 9.143 1.00 0.00 N ATOM 1144 CA SER A 85 2.713 -5.576 10.489 1.00 0.00 C ATOM 1145 C SER A 85 1.261 -6.050 10.608 1.00 0.00 C ATOM 1146 O SER A 85 1.026 -7.215 10.958 1.00 0.00 O ATOM 1147 CB SER A 85 3.070 -4.514 11.530 1.00 0.00 C ATOM 1148 OG SER A 85 2.280 -3.355 11.433 1.00 0.00 O ATOM 0 H SER A 85 3.306 -4.138 9.082 1.00 0.00 H new ATOM 0 HA SER A 85 3.337 -6.446 10.695 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.958 -4.940 12.527 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.119 -4.241 11.416 1.00 0.00 H new ATOM 0 HG SER A 85 2.553 -2.715 12.123 1.00 0.00 H new ATOM 1154 N ALA A 86 0.292 -5.194 10.259 1.00 0.00 N ATOM 1155 CA ALA A 86 -1.125 -5.508 10.349 1.00 0.00 C ATOM 1156 C ALA A 86 -1.591 -6.590 9.391 1.00 0.00 C ATOM 1157 O ALA A 86 -2.416 -7.420 9.783 1.00 0.00 O ATOM 1158 CB ALA A 86 -1.975 -4.247 10.140 1.00 0.00 C ATOM 0 H ALA A 86 0.480 -4.257 9.904 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.263 -5.902 11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.032 -4.505 10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.728 -3.511 10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.769 -3.829 9.155 1.00 0.00 H new ATOM 1164 N LEU A 87 -1.095 -6.592 8.158 1.00 0.00 N ATOM 1165 CA LEU A 87 -1.471 -7.537 7.135 1.00 0.00 C ATOM 1166 C LEU A 87 -0.190 -8.209 6.670 1.00 0.00 C ATOM 1167 O LEU A 87 0.571 -7.584 5.933 1.00 0.00 O ATOM 1168 CB LEU A 87 -2.191 -6.792 5.993 1.00 0.00 C ATOM 1169 CG LEU A 87 -3.124 -5.617 6.360 1.00 0.00 C ATOM 1170 CD1 LEU A 87 -3.780 -5.074 5.085 1.00 0.00 C ATOM 1171 CD2 LEU A 87 -4.186 -5.956 7.417 1.00 0.00 C ATOM 0 H LEU A 87 -0.402 -5.914 7.843 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.164 -8.294 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.430 -6.412 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.779 -7.523 5.438 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.498 -4.855 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.439 -4.244 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.008 -4.726 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.360 -5.865 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.797 -5.075 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.821 -6.763 7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.695 -6.271 8.338 1.00 0.00 H new ATOM 1183 N GLY A 88 0.070 -9.463 7.056 1.00 0.00 N ATOM 1184 CA GLY A 88 1.281 -10.140 6.647 1.00 0.00 C ATOM 1185 C GLY A 88 1.897 -10.847 7.837 1.00 0.00 C ATOM 1186 O GLY A 88 2.230 -10.229 8.853 1.00 0.00 O ATOM 0 H GLY A 88 -0.547 -10.018 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.059 -10.860 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.988 -9.422 6.232 1.00 0.00 H new ATOM 1190 N PHE A 89 1.963 -12.164 7.724 1.00 0.00 N ATOM 1191 CA PHE A 89 2.558 -13.053 8.715 1.00 0.00 C ATOM 1192 C PHE A 89 3.918 -13.501 8.160 1.00 0.00 C ATOM 1193 O PHE A 89 4.075 -13.641 6.945 1.00 0.00 O ATOM 1194 CB PHE A 89 1.659 -14.253 8.986 1.00 0.00 C ATOM 1195 CG PHE A 89 0.239 -13.932 9.403 1.00 0.00 C ATOM 1196 CD1 PHE A 89 -0.078 -13.756 10.760 1.00 0.00 C ATOM 1197 CD2 PHE A 89 -0.783 -13.861 8.442 1.00 0.00 C ATOM 1198 CE1 PHE A 89 -1.411 -13.559 11.153 1.00 0.00 C ATOM 1199 CE2 PHE A 89 -2.111 -13.648 8.828 1.00 0.00 C ATOM 1200 CZ PHE A 89 -2.432 -13.522 10.188 1.00 0.00 C ATOM 0 H PHE A 89 1.592 -12.662 6.915 1.00 0.00 H new ATOM 0 HA PHE A 89 2.682 -12.535 9.666 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.623 -14.867 8.086 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.119 -14.859 9.767 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.706 -13.772 11.503 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.541 -13.972 7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.652 -13.436 12.198 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.888 -13.581 8.080 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.461 -13.397 10.492 1.00 0.00 H new ATOM 1210 N SER A 90 4.876 -13.816 9.031 1.00 0.00 N ATOM 1211 CA SER A 90 6.221 -14.215 8.630 1.00 0.00 C ATOM 1212 C SER A 90 6.300 -15.590 7.959 1.00 0.00 C ATOM 1213 O SER A 90 7.205 -15.806 7.152 1.00 0.00 O ATOM 1214 CB SER A 90 7.141 -14.152 9.857 1.00 0.00 C ATOM 1215 OG SER A 90 8.456 -13.787 9.492 1.00 0.00 O ATOM 0 H SER A 90 4.738 -13.801 10.041 1.00 0.00 H new ATOM 0 HA SER A 90 6.547 -13.512 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.747 -13.432 10.574 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.155 -15.122 10.354 1.00 0.00 H new ATOM 0 HG SER A 90 8.535 -12.810 9.486 1.00 0.00 H new ATOM 1221 N GLY A 91 5.356 -16.492 8.237 1.00 0.00 N ATOM 1222 CA GLY A 91 5.338 -17.841 7.686 1.00 0.00 C ATOM 1223 C GLY A 91 5.416 -17.918 6.170 1.00 0.00 C ATOM 1224 O GLY A 91 6.281 -18.599 5.618 1.00 0.00 O ATOM 0 H GLY A 91 4.573 -16.299 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.174 -18.400 8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.425 -18.339 8.013 1.00 0.00 H new ATOM 1228 N LEU A 92 4.511 -17.191 5.524 1.00 0.00 N ATOM 1229 CA LEU A 92 4.317 -17.094 4.073 1.00 0.00 C ATOM 1230 C LEU A 92 4.121 -18.478 3.452 1.00 0.00 C ATOM 1231 O LEU A 92 4.120 -19.521 4.107 1.00 0.00 O ATOM 1232 CB LEU A 92 5.413 -16.244 3.389 1.00 0.00 C ATOM 1233 CG LEU A 92 5.117 -15.771 1.944 1.00 0.00 C ATOM 1234 CD1 LEU A 92 5.412 -14.281 1.728 1.00 0.00 C ATOM 1235 CD2 LEU A 92 5.907 -16.565 0.893 1.00 0.00 C ATOM 0 H LEU A 92 3.844 -16.611 6.033 1.00 0.00 H new ATOM 0 HA LEU A 92 3.392 -16.547 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.597 -15.364 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.336 -16.823 3.376 1.00 0.00 H new ATOM 0 HG LEU A 92 4.049 -15.948 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.185 -14.011 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.796 -13.687 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.465 -14.085 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.663 -16.194 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.975 -16.445 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.644 -17.621 0.961 1.00 0.00 H new ATOM 1247 N GLY A 93 3.820 -18.470 2.166 1.00 0.00 N ATOM 1248 CA GLY A 93 3.603 -19.676 1.400 1.00 0.00 C ATOM 1249 C GLY A 93 2.800 -19.409 0.149 1.00 0.00 C ATOM 1250 O GLY A 93 3.388 -19.085 -0.881 1.00 0.00 O ATOM 0 H GLY A 93 3.719 -17.614 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.564 -20.112 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.083 -20.409 2.016 1.00 0.00 H new ATOM 1254 N ASP A 94 1.469 -19.509 0.232 1.00 0.00 N ATOM 1255 CA ASP A 94 0.614 -19.325 -0.939 1.00 0.00 C ATOM 1256 C ASP A 94 -0.808 -18.799 -0.692 1.00 0.00 C ATOM 1257 O ASP A 94 -1.693 -18.980 -1.532 1.00 0.00 O ATOM 1258 CB ASP A 94 0.606 -20.609 -1.776 1.00 0.00 C ATOM 1259 CG ASP A 94 0.063 -21.827 -1.042 1.00 0.00 C ATOM 1260 OD1 ASP A 94 -1.175 -21.998 -0.977 1.00 0.00 O ATOM 1261 OD2 ASP A 94 0.917 -22.599 -0.553 1.00 0.00 O ATOM 0 H ASP A 94 0.965 -19.715 1.095 1.00 0.00 H new ATOM 0 HA ASP A 94 1.072 -18.503 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.008 -20.442 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.623 -20.821 -2.106 1.00 0.00 H new ATOM 1266 N GLY A 95 -1.061 -18.134 0.431 1.00 0.00 N ATOM 1267 CA GLY A 95 -2.367 -17.551 0.731 1.00 0.00 C ATOM 1268 C GLY A 95 -3.325 -18.407 1.552 1.00 0.00 C ATOM 1269 O GLY A 95 -4.457 -17.967 1.734 1.00 0.00 O ATOM 0 H GLY A 95 -0.365 -17.983 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.207 -16.613 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.854 -17.304 -0.212 1.00 0.00 H new ATOM 1273 N TYR A 96 -2.937 -19.614 1.983 1.00 0.00 N ATOM 1274 CA TYR A 96 -3.790 -20.469 2.813 1.00 0.00 C ATOM 1275 C TYR A 96 -3.817 -19.865 4.232 1.00 0.00 C ATOM 1276 O TYR A 96 -3.439 -18.706 4.389 1.00 0.00 O ATOM 1277 CB TYR A 96 -3.377 -21.960 2.741 1.00 0.00 C ATOM 1278 CG TYR A 96 -2.042 -22.380 3.339 1.00 0.00 C ATOM 1279 CD1 TYR A 96 -0.876 -22.363 2.550 1.00 0.00 C ATOM 1280 CD2 TYR A 96 -1.977 -22.896 4.651 1.00 0.00 C ATOM 1281 CE1 TYR A 96 0.363 -22.750 3.093 1.00 0.00 C ATOM 1282 CE2 TYR A 96 -0.746 -23.310 5.191 1.00 0.00 C ATOM 1283 CZ TYR A 96 0.436 -23.210 4.427 1.00 0.00 C ATOM 1284 OH TYR A 96 1.627 -23.523 5.003 1.00 0.00 O ATOM 0 H TYR A 96 -2.028 -20.022 1.767 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.812 -20.484 2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.157 -22.543 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.375 -22.252 1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.933 -22.050 1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -2.877 -22.973 5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.258 -22.695 2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.705 -23.706 6.195 1.00 0.00 H new ATOM 0 HH TYR A 96 1.477 -23.820 5.925 1.00 0.00 H new ATOM 1294 N GLY A 97 -4.225 -20.647 5.240 1.00 0.00 N ATOM 1295 CA GLY A 97 -4.394 -20.455 6.695 1.00 0.00 C ATOM 1296 C GLY A 97 -3.549 -19.458 7.519 1.00 0.00 C ATOM 1297 O GLY A 97 -3.614 -19.483 8.749 1.00 0.00 O ATOM 0 H GLY A 97 -4.493 -21.604 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.437 -20.178 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.252 -21.433 7.154 1.00 0.00 H new ATOM 1301 N GLY A 98 -2.730 -18.620 6.904 1.00 0.00 N ATOM 1302 CA GLY A 98 -1.845 -17.612 7.448 1.00 0.00 C ATOM 1303 C GLY A 98 -0.699 -17.312 6.478 1.00 0.00 C ATOM 1304 O GLY A 98 0.240 -16.615 6.857 1.00 0.00 O ATOM 0 H GLY A 98 -2.665 -18.636 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.406 -16.699 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.441 -17.953 8.401 1.00 0.00 H new ATOM 1308 N THR A 99 -0.756 -17.768 5.222 1.00 0.00 N ATOM 1309 CA THR A 99 0.309 -17.571 4.247 1.00 0.00 C ATOM 1310 C THR A 99 -0.038 -16.451 3.255 1.00 0.00 C ATOM 1311 O THR A 99 -1.025 -15.740 3.462 1.00 0.00 O ATOM 1312 CB THR A 99 0.727 -18.947 3.711 1.00 0.00 C ATOM 1313 OG1 THR A 99 -0.265 -19.557 2.936 1.00 0.00 O ATOM 1314 CG2 THR A 99 1.087 -19.897 4.861 1.00 0.00 C ATOM 0 H THR A 99 -1.553 -18.289 4.855 1.00 0.00 H new ATOM 0 HA THR A 99 1.223 -17.167 4.682 1.00 0.00 H new ATOM 0 HB THR A 99 1.595 -18.763 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.142 -20.529 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.380 -20.865 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.915 -19.478 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.223 -20.023 5.513 1.00 0.00 H new ATOM 1322 N LEU A 100 0.780 -16.207 2.224 1.00 0.00 N ATOM 1323 CA LEU A 100 0.563 -15.136 1.244 1.00 0.00 C ATOM 1324 C LEU A 100 1.150 -15.551 -0.101 1.00 0.00 C ATOM 1325 O LEU A 100 2.166 -16.247 -0.108 1.00 0.00 O ATOM 1326 CB LEU A 100 1.303 -13.897 1.803 1.00 0.00 C ATOM 1327 CG LEU A 100 1.198 -12.518 1.112 1.00 0.00 C ATOM 1328 CD1 LEU A 100 1.853 -11.480 2.037 1.00 0.00 C ATOM 1329 CD2 LEU A 100 1.904 -12.412 -0.247 1.00 0.00 C ATOM 0 H LEU A 100 1.622 -16.755 2.045 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.495 -14.925 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.967 -13.763 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.362 -14.152 1.845 1.00 0.00 H new ATOM 0 HG LEU A 100 0.136 -12.354 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.795 -10.494 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.331 -11.465 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.898 -11.744 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.772 -11.407 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.967 -12.615 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.475 -13.138 -0.938 1.00 0.00 H new ATOM 1341 N LEU A 101 0.507 -15.168 -1.207 1.00 0.00 N ATOM 1342 CA LEU A 101 0.944 -15.430 -2.576 1.00 0.00 C ATOM 1343 C LEU A 101 0.796 -14.149 -3.382 1.00 0.00 C ATOM 1344 O LEU A 101 -0.203 -13.447 -3.258 1.00 0.00 O ATOM 1345 CB LEU A 101 0.070 -16.470 -3.304 1.00 0.00 C ATOM 1346 CG LEU A 101 0.703 -16.967 -4.625 1.00 0.00 C ATOM 1347 CD1 LEU A 101 1.755 -18.050 -4.358 1.00 0.00 C ATOM 1348 CD2 LEU A 101 -0.366 -17.485 -5.588 1.00 0.00 C ATOM 0 H LEU A 101 -0.368 -14.645 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 101 1.967 -15.799 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.099 -17.321 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.906 -16.033 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 101 1.199 -16.117 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.184 -18.382 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.543 -17.643 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.287 -18.896 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.108 -17.828 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.902 -18.314 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.068 -16.683 -5.818 1.00 0.00 H new ATOM 1360 N LEU A 102 1.767 -13.858 -4.233 1.00 0.00 N ATOM 1361 CA LEU A 102 1.809 -12.738 -5.136 1.00 0.00 C ATOM 1362 C LEU A 102 2.124 -13.295 -6.515 1.00 0.00 C ATOM 1363 O LEU A 102 2.781 -14.338 -6.645 1.00 0.00 O ATOM 1364 CB LEU A 102 2.788 -11.669 -4.652 1.00 0.00 C ATOM 1365 CG LEU A 102 4.283 -11.885 -4.950 1.00 0.00 C ATOM 1366 CD1 LEU A 102 5.022 -10.610 -4.549 1.00 0.00 C ATOM 1367 CD2 LEU A 102 4.860 -13.070 -4.171 1.00 0.00 C ATOM 0 H LEU A 102 2.599 -14.443 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 102 0.852 -12.218 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.491 -10.717 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.671 -11.570 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 102 4.404 -12.106 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.087 -10.729 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.637 -9.769 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.870 -10.420 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.917 -13.184 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.750 -12.891 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.325 -13.980 -4.443 1.00 0.00 H new ATOM 1379 N LYS A 103 1.599 -12.632 -7.537 1.00 0.00 N ATOM 1380 CA LYS A 103 1.788 -12.987 -8.925 1.00 0.00 C ATOM 1381 C LYS A 103 1.811 -11.708 -9.733 1.00 0.00 C ATOM 1382 O LYS A 103 1.184 -10.706 -9.366 1.00 0.00 O ATOM 1383 CB LYS A 103 0.641 -13.869 -9.438 1.00 0.00 C ATOM 1384 CG LYS A 103 0.688 -15.353 -9.080 1.00 0.00 C ATOM 1385 CD LYS A 103 1.845 -16.051 -9.802 1.00 0.00 C ATOM 1386 CE LYS A 103 1.818 -16.043 -11.335 1.00 0.00 C ATOM 1387 NZ LYS A 103 0.565 -16.550 -11.921 1.00 0.00 N ATOM 0 H LYS A 103 1.012 -11.807 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 103 2.719 -13.545 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -0.295 -13.460 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.610 -13.784 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.804 -15.468 -8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.255 -15.827 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.776 -15.586 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.874 -17.089 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.983 -15.024 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.648 -16.645 -11.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.627 -16.512 -12.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.414 -17.534 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.231 -15.963 -11.600 1.00 0.00 H new ATOM 1401 N THR A 104 2.480 -11.758 -10.876 1.00 0.00 N ATOM 1402 CA THR A 104 2.535 -10.606 -11.738 1.00 0.00 C ATOM 1403 C THR A 104 1.399 -10.753 -12.745 1.00 0.00 C ATOM 1404 O THR A 104 0.861 -11.842 -12.994 1.00 0.00 O ATOM 1405 CB THR A 104 3.897 -10.511 -12.462 1.00 0.00 C ATOM 1406 OG1 THR A 104 4.109 -11.559 -13.402 1.00 0.00 O ATOM 1407 CG2 THR A 104 5.073 -10.499 -11.494 1.00 0.00 C ATOM 0 H THR A 104 2.984 -12.577 -11.217 1.00 0.00 H new ATOM 0 HA THR A 104 2.427 -9.690 -11.157 1.00 0.00 H new ATOM 0 HB THR A 104 3.849 -9.562 -12.995 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.984 -11.444 -13.828 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.005 -10.431 -12.055 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.987 -9.641 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.069 -11.417 -10.906 1.00 0.00 H new ATOM 1415 N ASN A 105 1.069 -9.637 -13.369 1.00 0.00 N ATOM 1416 CA ASN A 105 0.074 -9.536 -14.425 1.00 0.00 C ATOM 1417 C ASN A 105 0.529 -10.415 -15.603 1.00 0.00 C ATOM 1418 O ASN A 105 1.703 -10.783 -15.660 1.00 0.00 O ATOM 1419 CB ASN A 105 -0.112 -8.103 -14.831 1.00 0.00 C ATOM 1420 CG ASN A 105 -1.103 -7.950 -15.968 1.00 0.00 C ATOM 1421 OD1 ASN A 105 -2.187 -8.516 -15.897 1.00 0.00 O ATOM 1422 ND2 ASN A 105 -0.744 -7.269 -17.041 1.00 0.00 N ATOM 0 H ASN A 105 1.502 -8.741 -13.147 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.895 -9.891 -14.074 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.456 -7.526 -13.972 1.00 0.00 H new ATOM 0 HB3 ASN A 105 0.849 -7.685 -15.131 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.376 -7.204 -17.839 1.00 0.00 H new ATOM 0 HD22 ASN A 105 0.165 -6.808 -17.072 1.00 0.00 H new ATOM 1429 N ALA A 106 -0.344 -10.710 -16.571 1.00 0.00 N ATOM 1430 CA ALA A 106 -0.004 -11.528 -17.733 1.00 0.00 C ATOM 1431 C ALA A 106 1.251 -11.003 -18.449 1.00 0.00 C ATOM 1432 O ALA A 106 2.083 -11.800 -18.878 1.00 0.00 O ATOM 1433 CB ALA A 106 -1.204 -11.582 -18.680 1.00 0.00 C ATOM 0 H ALA A 106 -1.311 -10.385 -16.568 1.00 0.00 H new ATOM 0 HA ALA A 106 0.230 -12.538 -17.395 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.955 -12.191 -19.549 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.057 -12.020 -18.162 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.457 -10.573 -19.005 1.00 0.00 H new ATOM 1439 N GLU A 107 1.411 -9.679 -18.540 1.00 0.00 N ATOM 1440 CA GLU A 107 2.547 -8.991 -19.170 1.00 0.00 C ATOM 1441 C GLU A 107 3.634 -8.597 -18.149 1.00 0.00 C ATOM 1442 O GLU A 107 4.689 -8.075 -18.507 1.00 0.00 O ATOM 1443 CB GLU A 107 2.032 -7.797 -19.963 1.00 0.00 C ATOM 1444 CG GLU A 107 1.713 -8.281 -21.380 1.00 0.00 C ATOM 1445 CD GLU A 107 0.601 -9.329 -21.446 1.00 0.00 C ATOM 1446 OE1 GLU A 107 -0.562 -9.020 -21.102 1.00 0.00 O ATOM 1447 OE2 GLU A 107 0.886 -10.479 -21.852 1.00 0.00 O ATOM 0 H GLU A 107 0.724 -9.028 -18.161 1.00 0.00 H new ATOM 0 HA GLU A 107 3.037 -9.680 -19.858 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.142 -7.380 -19.492 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.780 -7.004 -19.989 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.426 -7.424 -21.989 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.618 -8.698 -21.822 1.00 0.00 H new ATOM 1454 N GLY A 108 3.362 -8.774 -16.854 1.00 0.00 N ATOM 1455 CA GLY A 108 4.271 -8.462 -15.757 1.00 0.00 C ATOM 1456 C GLY A 108 4.342 -6.971 -15.426 1.00 0.00 C ATOM 1457 O GLY A 108 5.025 -6.576 -14.486 1.00 0.00 O ATOM 0 H GLY A 108 2.471 -9.152 -16.533 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.955 -9.008 -14.868 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.270 -8.817 -16.012 1.00 0.00 H new ATOM 1461 N THR A 109 3.590 -6.143 -16.146 1.00 0.00 N ATOM 1462 CA THR A 109 3.528 -4.699 -16.008 1.00 0.00 C ATOM 1463 C THR A 109 2.836 -4.282 -14.714 1.00 0.00 C ATOM 1464 O THR A 109 2.926 -3.133 -14.313 1.00 0.00 O ATOM 1465 CB THR A 109 2.759 -4.109 -17.212 1.00 0.00 C ATOM 1466 OG1 THR A 109 2.483 -5.078 -18.222 1.00 0.00 O ATOM 1467 CG2 THR A 109 3.514 -2.935 -17.823 1.00 0.00 C ATOM 0 H THR A 109 2.974 -6.486 -16.883 1.00 0.00 H new ATOM 0 HA THR A 109 4.549 -4.318 -15.979 1.00 0.00 H new ATOM 0 HB THR A 109 1.804 -3.762 -16.818 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.995 -4.653 -18.958 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.950 -2.540 -18.668 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.640 -2.154 -17.073 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.493 -3.271 -18.165 1.00 0.00 H new ATOM 1475 N ARG A 110 2.101 -5.193 -14.080 1.00 0.00 N ATOM 1476 CA ARG A 110 1.377 -4.953 -12.832 1.00 0.00 C ATOM 1477 C ARG A 110 1.526 -6.155 -11.911 1.00 0.00 C ATOM 1478 O ARG A 110 1.874 -7.231 -12.390 1.00 0.00 O ATOM 1479 CB ARG A 110 -0.118 -4.751 -13.143 1.00 0.00 C ATOM 1480 CG ARG A 110 -0.543 -3.295 -13.336 1.00 0.00 C ATOM 1481 CD ARG A 110 -2.078 -3.228 -13.317 1.00 0.00 C ATOM 1482 NE ARG A 110 -2.586 -1.887 -13.627 1.00 0.00 N ATOM 1483 CZ ARG A 110 -2.635 -1.284 -14.819 1.00 0.00 C ATOM 1484 NH1 ARG A 110 -2.259 -1.903 -15.934 1.00 0.00 N ATOM 1485 NH2 ARG A 110 -3.062 -0.033 -14.883 1.00 0.00 N ATOM 0 H ARG A 110 1.989 -6.145 -14.429 1.00 0.00 H new ATOM 0 HA ARG A 110 1.784 -4.066 -12.347 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.365 -5.309 -14.046 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.705 -5.181 -12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.127 -2.671 -12.545 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.159 -2.910 -14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.478 -3.940 -14.038 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.440 -3.532 -12.335 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.945 -1.350 -12.838 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.922 -2.865 -15.894 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.308 -1.416 -16.829 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.346 0.453 -14.032 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.107 0.445 -15.783 1.00 0.00 H new ATOM 1499 N THR A 111 1.227 -5.990 -10.625 1.00 0.00 N ATOM 1500 CA THR A 111 1.287 -7.067 -9.636 1.00 0.00 C ATOM 1501 C THR A 111 -0.040 -7.154 -8.866 1.00 0.00 C ATOM 1502 O THR A 111 -0.671 -6.134 -8.572 1.00 0.00 O ATOM 1503 CB THR A 111 2.512 -6.876 -8.717 1.00 0.00 C ATOM 1504 OG1 THR A 111 3.694 -7.341 -9.347 1.00 0.00 O ATOM 1505 CG2 THR A 111 2.440 -7.673 -7.407 1.00 0.00 C ATOM 0 H THR A 111 0.933 -5.095 -10.234 1.00 0.00 H new ATOM 0 HA THR A 111 1.419 -8.025 -10.138 1.00 0.00 H new ATOM 0 HB THR A 111 2.520 -5.806 -8.511 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.458 -7.209 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.337 -7.485 -6.817 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.562 -7.363 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.370 -8.737 -7.632 1.00 0.00 H new ATOM 1513 N TYR A 112 -0.395 -8.386 -8.489 1.00 0.00 N ATOM 1514 CA TYR A 112 -1.577 -8.795 -7.725 1.00 0.00 C ATOM 1515 C TYR A 112 -1.143 -9.765 -6.621 1.00 0.00 C ATOM 1516 O TYR A 112 -0.569 -10.814 -6.918 1.00 0.00 O ATOM 1517 CB TYR A 112 -2.581 -9.484 -8.667 1.00 0.00 C ATOM 1518 CG TYR A 112 -3.898 -8.747 -8.780 1.00 0.00 C ATOM 1519 CD1 TYR A 112 -4.030 -7.704 -9.714 1.00 0.00 C ATOM 1520 CD2 TYR A 112 -4.961 -9.047 -7.906 1.00 0.00 C ATOM 1521 CE1 TYR A 112 -5.221 -6.969 -9.796 1.00 0.00 C ATOM 1522 CE2 TYR A 112 -6.147 -8.292 -7.954 1.00 0.00 C ATOM 1523 CZ TYR A 112 -6.265 -7.239 -8.890 1.00 0.00 C ATOM 1524 OH TYR A 112 -7.379 -6.465 -8.911 1.00 0.00 O ATOM 0 H TYR A 112 0.185 -9.189 -8.731 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.053 -7.923 -7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.136 -9.573 -9.658 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -2.769 -10.496 -8.309 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.208 -7.467 -10.373 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.865 -9.857 -7.198 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.337 -6.202 -10.548 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -6.961 -8.515 -7.281 1.00 0.00 H new ATOM 0 HH TYR A 112 -8.008 -6.778 -8.227 1.00 0.00 H new ATOM 1534 N LEU A 113 -1.406 -9.439 -5.352 1.00 0.00 N ATOM 1535 CA LEU A 113 -1.070 -10.293 -4.201 1.00 0.00 C ATOM 1536 C LEU A 113 -2.324 -10.635 -3.403 1.00 0.00 C ATOM 1537 O LEU A 113 -3.360 -9.976 -3.533 1.00 0.00 O ATOM 1538 CB LEU A 113 0.087 -9.751 -3.338 1.00 0.00 C ATOM 1539 CG LEU A 113 -0.170 -8.574 -2.365 1.00 0.00 C ATOM 1540 CD1 LEU A 113 -1.089 -7.480 -2.919 1.00 0.00 C ATOM 1541 CD2 LEU A 113 -0.702 -9.050 -1.005 1.00 0.00 C ATOM 0 H LEU A 113 -1.863 -8.566 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.674 -11.227 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.472 -10.583 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 113 0.884 -9.445 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 113 0.814 -8.125 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.214 -6.696 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.647 -7.055 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.061 -7.909 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.867 -8.189 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.643 -9.582 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.025 -9.718 -0.543 1.00 0.00 H new ATOM 1553 N LYS A 114 -2.231 -11.683 -2.582 1.00 0.00 N ATOM 1554 CA LYS A 114 -3.293 -12.199 -1.734 1.00 0.00 C ATOM 1555 C LYS A 114 -2.665 -12.697 -0.438 1.00 0.00 C ATOM 1556 O LYS A 114 -1.791 -13.564 -0.486 1.00 0.00 O ATOM 1557 CB LYS A 114 -4.044 -13.334 -2.446 1.00 0.00 C ATOM 1558 CG LYS A 114 -4.528 -12.953 -3.859 1.00 0.00 C ATOM 1559 CD LYS A 114 -5.557 -13.938 -4.408 1.00 0.00 C ATOM 1560 CE LYS A 114 -4.986 -15.355 -4.477 1.00 0.00 C ATOM 1561 NZ LYS A 114 -5.989 -16.316 -4.954 1.00 0.00 N ATOM 0 H LYS A 114 -1.367 -12.217 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.016 -11.413 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.392 -14.204 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.903 -13.627 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.963 -11.954 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.673 -12.911 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.444 -13.931 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.872 -13.622 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.122 -15.369 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.633 -15.655 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.569 -17.267 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.802 -16.320 -4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.307 -16.043 -5.906 1.00 0.00 H new ATOM 1575 N SER A 115 -3.098 -12.177 0.706 1.00 0.00 N ATOM 1576 CA SER A 115 -2.603 -12.548 2.024 1.00 0.00 C ATOM 1577 C SER A 115 -3.756 -13.224 2.759 1.00 0.00 C ATOM 1578 O SER A 115 -4.816 -12.619 2.887 1.00 0.00 O ATOM 1579 CB SER A 115 -2.111 -11.276 2.723 1.00 0.00 C ATOM 1580 OG SER A 115 -1.128 -11.530 3.699 1.00 0.00 O ATOM 0 H SER A 115 -3.826 -11.463 0.741 1.00 0.00 H new ATOM 0 HA SER A 115 -1.764 -13.243 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 115 -1.707 -10.591 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.958 -10.774 3.190 1.00 0.00 H new ATOM 0 HG SER A 115 -0.850 -10.685 4.111 1.00 0.00 H new ATOM 1586 N PHE A 116 -3.570 -14.474 3.197 1.00 0.00 N ATOM 1587 CA PHE A 116 -4.541 -15.299 3.918 1.00 0.00 C ATOM 1588 C PHE A 116 -5.965 -15.117 3.350 1.00 0.00 C ATOM 1589 O PHE A 116 -6.844 -14.533 3.991 1.00 0.00 O ATOM 1590 CB PHE A 116 -4.397 -15.013 5.429 1.00 0.00 C ATOM 1591 CG PHE A 116 -5.188 -15.903 6.383 1.00 0.00 C ATOM 1592 CD1 PHE A 116 -5.850 -17.074 5.957 1.00 0.00 C ATOM 1593 CD2 PHE A 116 -5.250 -15.547 7.744 1.00 0.00 C ATOM 1594 CE1 PHE A 116 -6.576 -17.854 6.873 1.00 0.00 C ATOM 1595 CE2 PHE A 116 -5.953 -16.341 8.663 1.00 0.00 C ATOM 1596 CZ PHE A 116 -6.621 -17.496 8.229 1.00 0.00 C ATOM 0 H PHE A 116 -2.687 -14.963 3.049 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.338 -16.360 3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.341 -15.092 5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -4.693 -13.979 5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -5.798 -17.373 4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.750 -14.652 8.085 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.102 -18.733 6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -5.980 -16.063 9.706 1.00 0.00 H new ATOM 0 HZ PHE A 116 -7.166 -18.106 8.934 1.00 0.00 H new ATOM 1606 N GLU A 117 -6.167 -15.531 2.094 1.00 0.00 N ATOM 1607 CA GLU A 117 -7.447 -15.418 1.396 1.00 0.00 C ATOM 1608 C GLU A 117 -8.465 -16.454 1.896 1.00 0.00 C ATOM 1609 O GLU A 117 -8.171 -17.229 2.811 1.00 0.00 O ATOM 1610 CB GLU A 117 -7.233 -15.355 -0.129 1.00 0.00 C ATOM 1611 CG GLU A 117 -6.581 -16.576 -0.804 1.00 0.00 C ATOM 1612 CD GLU A 117 -7.583 -17.618 -1.307 1.00 0.00 C ATOM 1613 OE1 GLU A 117 -8.439 -17.249 -2.139 1.00 0.00 O ATOM 1614 OE2 GLU A 117 -7.445 -18.817 -0.970 1.00 0.00 O ATOM 0 H GLU A 117 -5.434 -15.959 1.528 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.917 -14.467 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.202 -15.188 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.619 -14.481 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -5.976 -16.234 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.903 -17.051 -0.095 1.00 0.00 H new ATOM 1621 N ALA A 118 -9.691 -16.417 1.362 1.00 0.00 N ATOM 1622 CA ALA A 118 -10.782 -17.306 1.745 1.00 0.00 C ATOM 1623 C ALA A 118 -11.736 -17.538 0.580 1.00 0.00 C ATOM 1624 O ALA A 118 -11.292 -17.691 -0.551 1.00 0.00 O ATOM 1625 CB ALA A 118 -11.489 -16.710 2.969 1.00 0.00 C ATOM 0 H ALA A 118 -9.953 -15.751 0.635 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.389 -18.287 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.309 -17.363 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.779 -16.618 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.883 -15.725 2.718 1.00 0.00 H new ATOM 1631 N ASP A 119 -13.037 -17.592 0.838 1.00 0.00 N ATOM 1632 CA ASP A 119 -14.101 -17.780 -0.138 1.00 0.00 C ATOM 1633 C ASP A 119 -14.810 -16.443 -0.280 1.00 0.00 C ATOM 1634 O ASP A 119 -14.788 -15.627 0.647 1.00 0.00 O ATOM 1635 CB ASP A 119 -15.098 -18.840 0.329 1.00 0.00 C ATOM 1636 CG ASP A 119 -14.471 -20.222 0.377 1.00 0.00 C ATOM 1637 OD1 ASP A 119 -13.902 -20.667 -0.642 1.00 0.00 O ATOM 1638 OD2 ASP A 119 -14.605 -20.896 1.423 1.00 0.00 O ATOM 0 H ASP A 119 -13.397 -17.500 1.788 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.684 -18.119 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.472 -18.576 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -15.956 -18.853 -0.343 1.00 0.00 H new ATOM 1643 N ALA A 120 -15.458 -16.214 -1.425 1.00 0.00 N ATOM 1644 CA ALA A 120 -16.189 -14.980 -1.743 1.00 0.00 C ATOM 1645 C ALA A 120 -17.373 -14.682 -0.819 1.00 0.00 C ATOM 1646 O ALA A 120 -18.094 -13.710 -1.055 1.00 0.00 O ATOM 1647 CB ALA A 120 -16.697 -15.055 -3.183 1.00 0.00 C ATOM 0 H ALA A 120 -15.491 -16.900 -2.179 1.00 0.00 H new ATOM 0 HA ALA A 120 -15.477 -14.167 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -17.241 -14.142 -3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -15.851 -15.165 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -17.362 -15.912 -3.290 1.00 0.00 H new ATOM 1653 N GLU A 121 -17.663 -15.578 0.120 1.00 0.00 N ATOM 1654 CA GLU A 121 -18.742 -15.501 1.086 1.00 0.00 C ATOM 1655 C GLU A 121 -18.228 -15.147 2.483 1.00 0.00 C ATOM 1656 O GLU A 121 -19.014 -14.806 3.369 1.00 0.00 O ATOM 1657 CB GLU A 121 -19.431 -16.868 1.080 1.00 0.00 C ATOM 1658 CG GLU A 121 -20.691 -16.864 1.947 1.00 0.00 C ATOM 1659 CD GLU A 121 -21.630 -18.014 1.633 1.00 0.00 C ATOM 1660 OE1 GLU A 121 -21.225 -19.196 1.749 1.00 0.00 O ATOM 1661 OE2 GLU A 121 -22.814 -17.731 1.341 1.00 0.00 O ATOM 0 H GLU A 121 -17.112 -16.430 0.229 1.00 0.00 H new ATOM 0 HA GLU A 121 -19.440 -14.709 0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -19.692 -17.140 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -18.739 -17.627 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -20.403 -16.914 2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -21.220 -15.921 1.806 1.00 0.00 H new ATOM 1668 N GLY A 122 -16.915 -15.254 2.696 1.00 0.00 N ATOM 1669 CA GLY A 122 -16.278 -14.971 3.958 1.00 0.00 C ATOM 1670 C GLY A 122 -15.325 -13.799 3.858 1.00 0.00 C ATOM 1671 O GLY A 122 -15.598 -12.762 4.463 1.00 0.00 O ATOM 0 H GLY A 122 -16.261 -15.548 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -17.039 -14.758 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -15.735 -15.853 4.296 1.00 0.00 H new ATOM 1675 N ARG A 123 -14.187 -13.957 3.166 1.00 0.00 N ATOM 1676 CA ARG A 123 -13.195 -12.874 3.061 1.00 0.00 C ATOM 1677 C ARG A 123 -12.049 -13.126 2.068 1.00 0.00 C ATOM 1678 O ARG A 123 -10.957 -13.565 2.449 1.00 0.00 O ATOM 1679 CB ARG A 123 -12.604 -12.552 4.451 1.00 0.00 C ATOM 1680 CG ARG A 123 -12.172 -13.783 5.256 1.00 0.00 C ATOM 1681 CD ARG A 123 -11.039 -13.435 6.217 1.00 0.00 C ATOM 1682 NE ARG A 123 -10.346 -14.654 6.638 1.00 0.00 N ATOM 1683 CZ ARG A 123 -10.583 -15.362 7.740 1.00 0.00 C ATOM 1684 NH1 ARG A 123 -11.561 -15.032 8.577 1.00 0.00 N ATOM 1685 NH2 ARG A 123 -9.828 -16.424 7.964 1.00 0.00 N ATOM 0 H ARG A 123 -13.931 -14.814 2.675 1.00 0.00 H new ATOM 0 HA ARG A 123 -13.752 -12.027 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -11.743 -11.896 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.344 -11.997 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.022 -14.173 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.849 -14.572 4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -10.337 -12.756 5.733 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -11.437 -12.914 7.088 1.00 0.00 H new ATOM 0 HE ARG A 123 -9.606 -14.996 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -12.148 -14.221 8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -11.724 -15.589 9.416 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -9.093 -16.676 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -9.980 -16.991 8.798 1.00 0.00 H new ATOM 1699 N ARG A 124 -12.240 -12.868 0.778 1.00 0.00 N ATOM 1700 CA ARG A 124 -11.184 -13.051 -0.207 1.00 0.00 C ATOM 1701 C ARG A 124 -10.331 -11.787 -0.266 1.00 0.00 C ATOM 1702 O ARG A 124 -10.877 -10.686 -0.318 1.00 0.00 O ATOM 1703 CB ARG A 124 -11.833 -13.330 -1.554 1.00 0.00 C ATOM 1704 CG ARG A 124 -12.343 -14.781 -1.639 1.00 0.00 C ATOM 1705 CD ARG A 124 -11.628 -15.689 -2.644 1.00 0.00 C ATOM 1706 NE ARG A 124 -11.405 -15.034 -3.943 1.00 0.00 N ATOM 1707 CZ ARG A 124 -12.324 -14.748 -4.867 1.00 0.00 C ATOM 1708 NH1 ARG A 124 -13.519 -15.325 -4.838 1.00 0.00 N ATOM 1709 NH2 ARG A 124 -12.055 -13.851 -5.802 1.00 0.00 N ATOM 0 H ARG A 124 -13.121 -12.530 0.391 1.00 0.00 H new ATOM 0 HA ARG A 124 -10.540 -13.888 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -12.663 -12.641 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -11.113 -13.148 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -12.261 -15.232 -0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -13.403 -14.758 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.669 -15.999 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -12.218 -16.593 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.444 -14.770 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -13.744 -15.996 -4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -14.213 -15.098 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.149 -13.382 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.754 -13.628 -6.511 1.00 0.00 H new ATOM 1723 N PHE A 125 -9.009 -11.950 -0.235 1.00 0.00 N ATOM 1724 CA PHE A 125 -8.043 -10.863 -0.299 1.00 0.00 C ATOM 1725 C PHE A 125 -7.668 -10.674 -1.758 1.00 0.00 C ATOM 1726 O PHE A 125 -7.097 -11.601 -2.335 1.00 0.00 O ATOM 1727 CB PHE A 125 -6.777 -11.222 0.512 1.00 0.00 C ATOM 1728 CG PHE A 125 -5.694 -10.146 0.642 1.00 0.00 C ATOM 1729 CD1 PHE A 125 -5.133 -9.483 -0.474 1.00 0.00 C ATOM 1730 CD2 PHE A 125 -5.231 -9.797 1.926 1.00 0.00 C ATOM 1731 CE1 PHE A 125 -4.162 -8.486 -0.305 1.00 0.00 C ATOM 1732 CE2 PHE A 125 -4.266 -8.790 2.098 1.00 0.00 C ATOM 1733 CZ PHE A 125 -3.728 -8.136 0.981 1.00 0.00 C ATOM 0 H PHE A 125 -8.572 -12.869 -0.163 1.00 0.00 H new ATOM 0 HA PHE A 125 -8.472 -9.952 0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -7.090 -11.508 1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -6.324 -12.103 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.457 -9.748 -1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.624 -10.311 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.747 -7.986 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.939 -8.520 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.982 -7.366 1.111 1.00 0.00 H new ATOM 1743 N GLU A 126 -7.997 -9.536 -2.370 1.00 0.00 N ATOM 1744 CA GLU A 126 -7.594 -9.290 -3.773 1.00 0.00 C ATOM 1745 C GLU A 126 -7.429 -7.775 -3.978 1.00 0.00 C ATOM 1746 O GLU A 126 -8.434 -7.054 -4.012 1.00 0.00 O ATOM 1747 CB GLU A 126 -8.557 -9.973 -4.779 1.00 0.00 C ATOM 1748 CG GLU A 126 -7.853 -11.120 -5.540 1.00 0.00 C ATOM 1749 CD GLU A 126 -8.743 -11.987 -6.447 1.00 0.00 C ATOM 1750 OE1 GLU A 126 -9.971 -12.123 -6.230 1.00 0.00 O ATOM 1751 OE2 GLU A 126 -8.197 -12.600 -7.394 1.00 0.00 O ATOM 0 H GLU A 126 -8.528 -8.781 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 126 -6.629 -9.755 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.424 -10.365 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.927 -9.235 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -7.060 -10.688 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -7.373 -11.771 -4.809 1.00 0.00 H new ATOM 1758 N VAL A 127 -6.185 -7.302 -4.174 1.00 0.00 N ATOM 1759 CA VAL A 127 -5.805 -5.889 -4.340 1.00 0.00 C ATOM 1760 C VAL A 127 -4.901 -5.734 -5.572 1.00 0.00 C ATOM 1761 O VAL A 127 -4.347 -6.734 -6.034 1.00 0.00 O ATOM 1762 CB VAL A 127 -5.104 -5.457 -3.024 1.00 0.00 C ATOM 1763 CG1 VAL A 127 -4.458 -4.073 -3.068 1.00 0.00 C ATOM 1764 CG2 VAL A 127 -6.093 -5.460 -1.850 1.00 0.00 C ATOM 0 H VAL A 127 -5.379 -7.925 -4.223 1.00 0.00 H new ATOM 0 HA VAL A 127 -6.669 -5.248 -4.515 1.00 0.00 H new ATOM 0 HB VAL A 127 -4.311 -6.194 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -3.994 -3.858 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -3.699 -4.050 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -5.220 -3.322 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -5.578 -5.154 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -6.907 -4.765 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -6.498 -6.463 -1.718 1.00 0.00 H new ATOM 1774 N ALA A 128 -4.770 -4.516 -6.123 1.00 0.00 N ATOM 1775 CA ALA A 128 -3.952 -4.241 -7.299 1.00 0.00 C ATOM 1776 C ALA A 128 -2.964 -3.109 -7.039 1.00 0.00 C ATOM 1777 O ALA A 128 -3.258 -2.164 -6.303 1.00 0.00 O ATOM 1778 CB ALA A 128 -4.854 -3.823 -8.472 1.00 0.00 C ATOM 0 H ALA A 128 -5.239 -3.689 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.401 -5.152 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.239 -3.618 -9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.553 -4.628 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.410 -2.926 -8.201 1.00 0.00 H new ATOM 1784 N LEU A 129 -1.838 -3.169 -7.743 1.00 0.00 N ATOM 1785 CA LEU A 129 -0.757 -2.197 -7.689 1.00 0.00 C ATOM 1786 C LEU A 129 -0.656 -1.518 -9.056 1.00 0.00 C ATOM 1787 O LEU A 129 -0.955 -2.163 -10.072 1.00 0.00 O ATOM 1788 CB LEU A 129 0.525 -3.009 -7.448 1.00 0.00 C ATOM 1789 CG LEU A 129 1.790 -2.187 -7.161 1.00 0.00 C ATOM 1790 CD1 LEU A 129 1.798 -1.730 -5.705 1.00 0.00 C ATOM 1791 CD2 LEU A 129 3.002 -3.080 -7.403 1.00 0.00 C ATOM 0 H LEU A 129 -1.648 -3.931 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.914 -1.445 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.354 -3.683 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.709 -3.631 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 129 1.815 -1.311 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.699 -1.148 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.920 -1.114 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.781 -2.601 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 129 3.914 -2.517 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 129 2.957 -3.943 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 129 3.003 -3.420 -8.439 1.00 0.00 H new ATOM 1803 N ASP A 130 -0.239 -0.254 -9.118 1.00 0.00 N ATOM 1804 CA ASP A 130 -0.090 0.447 -10.395 1.00 0.00 C ATOM 1805 C ASP A 130 1.338 0.335 -10.900 1.00 0.00 C ATOM 1806 O ASP A 130 2.229 1.055 -10.444 1.00 0.00 O ATOM 1807 CB ASP A 130 -0.434 1.941 -10.330 1.00 0.00 C ATOM 1808 CG ASP A 130 -0.237 2.627 -11.685 1.00 0.00 C ATOM 1809 OD1 ASP A 130 -0.602 2.009 -12.716 1.00 0.00 O ATOM 1810 OD2 ASP A 130 0.195 3.806 -11.750 1.00 0.00 O ATOM 0 H ASP A 130 0.002 0.306 -8.300 1.00 0.00 H new ATOM 0 HA ASP A 130 -0.798 -0.039 -11.066 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -1.468 2.063 -10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 130 0.193 2.427 -9.582 1.00 0.00 H new ATOM 1815 N GLY A 131 1.526 -0.482 -11.932 1.00 0.00 N ATOM 1816 CA GLY A 131 2.833 -0.661 -12.526 1.00 0.00 C ATOM 1817 C GLY A 131 3.683 -1.630 -11.715 1.00 0.00 C ATOM 1818 O GLY A 131 3.201 -2.305 -10.800 1.00 0.00 O ATOM 0 H GLY A 131 0.784 -1.028 -12.370 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.724 -1.035 -13.544 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.339 0.302 -12.592 1.00 0.00 H new ATOM 1822 N ASP A 132 4.954 -1.700 -12.091 1.00 0.00 N ATOM 1823 CA ASP A 132 6.009 -2.498 -11.501 1.00 0.00 C ATOM 1824 C ASP A 132 7.302 -1.737 -11.765 1.00 0.00 C ATOM 1825 O ASP A 132 7.443 -1.146 -12.842 1.00 0.00 O ATOM 1826 CB ASP A 132 6.064 -3.871 -12.158 1.00 0.00 C ATOM 1827 CG ASP A 132 6.926 -4.828 -11.330 1.00 0.00 C ATOM 1828 OD1 ASP A 132 6.721 -4.916 -10.096 1.00 0.00 O ATOM 1829 OD2 ASP A 132 7.811 -5.519 -11.882 1.00 0.00 O ATOM 0 H ASP A 132 5.296 -1.153 -12.881 1.00 0.00 H new ATOM 0 HA ASP A 132 5.844 -2.655 -10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 132 5.056 -4.274 -12.257 1.00 0.00 H new ATOM 0 HB3 ASP A 132 6.473 -3.783 -13.165 1.00 0.00 H new ATOM 1834 N HIS A 133 8.222 -1.697 -10.803 1.00 0.00 N ATOM 1835 CA HIS A 133 9.494 -0.999 -10.923 1.00 0.00 C ATOM 1836 C HIS A 133 10.642 -2.007 -10.842 1.00 0.00 C ATOM 1837 O HIS A 133 10.881 -2.712 -11.825 1.00 0.00 O ATOM 1838 CB HIS A 133 9.555 0.200 -9.949 1.00 0.00 C ATOM 1839 CG HIS A 133 8.896 1.444 -10.511 1.00 0.00 C ATOM 1840 ND1 HIS A 133 9.475 2.690 -10.590 1.00 0.00 N ATOM 1841 CD2 HIS A 133 7.659 1.535 -11.096 1.00 0.00 C ATOM 1842 CE1 HIS A 133 8.617 3.500 -11.236 1.00 0.00 C ATOM 1843 NE2 HIS A 133 7.505 2.833 -11.597 1.00 0.00 N ATOM 0 H HIS A 133 8.099 -2.159 -9.902 1.00 0.00 H new ATOM 0 HA HIS A 133 9.601 -0.534 -11.903 1.00 0.00 H new ATOM 0 HB2 HIS A 133 9.068 -0.073 -9.013 1.00 0.00 H new ATOM 0 HB3 HIS A 133 10.597 0.420 -9.715 1.00 0.00 H new ATOM 0 HD1 HIS A 133 10.390 2.952 -10.224 1.00 0.00 H new ATOM 0 HD2 HIS A 133 6.929 0.742 -11.159 1.00 0.00 H new ATOM 0 HE1 HIS A 133 8.796 4.546 -11.438 1.00 0.00 H new ATOM 1851 N THR A 134 11.337 -2.113 -9.708 1.00 0.00 N ATOM 1852 CA THR A 134 12.465 -3.000 -9.513 1.00 0.00 C ATOM 1853 C THR A 134 12.730 -3.082 -8.007 1.00 0.00 C ATOM 1854 O THR A 134 12.561 -2.092 -7.294 1.00 0.00 O ATOM 1855 CB THR A 134 13.637 -2.364 -10.285 1.00 0.00 C ATOM 1856 OG1 THR A 134 14.758 -3.229 -10.346 1.00 0.00 O ATOM 1857 CG2 THR A 134 14.068 -0.991 -9.740 1.00 0.00 C ATOM 0 H THR A 134 11.116 -1.562 -8.878 1.00 0.00 H new ATOM 0 HA THR A 134 12.303 -4.015 -9.876 1.00 0.00 H new ATOM 0 HB THR A 134 13.252 -2.202 -11.292 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.481 -2.793 -10.844 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.897 -0.608 -10.335 1.00 0.00 H new ATOM 0 HG22 THR A 134 13.229 -0.297 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 134 14.383 -1.094 -8.702 1.00 0.00 H new ATOM 1865 N GLY A 135 13.177 -4.235 -7.510 1.00 0.00 N ATOM 1866 CA GLY A 135 13.469 -4.430 -6.097 1.00 0.00 C ATOM 1867 C GLY A 135 12.194 -4.361 -5.270 1.00 0.00 C ATOM 1868 O GLY A 135 12.056 -3.520 -4.389 1.00 0.00 O ATOM 0 H GLY A 135 13.346 -5.062 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 135 13.952 -5.396 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 135 14.171 -3.668 -5.757 1.00 0.00 H new ATOM 1872 N ASP A 136 11.267 -5.265 -5.586 1.00 0.00 N ATOM 1873 CA ASP A 136 9.966 -5.425 -4.937 1.00 0.00 C ATOM 1874 C ASP A 136 10.148 -5.681 -3.437 1.00 0.00 C ATOM 1875 O ASP A 136 11.253 -5.957 -2.968 1.00 0.00 O ATOM 1876 CB ASP A 136 9.132 -6.521 -5.617 1.00 0.00 C ATOM 1877 CG ASP A 136 9.691 -7.930 -5.443 1.00 0.00 C ATOM 1878 OD1 ASP A 136 10.605 -8.302 -6.218 1.00 0.00 O ATOM 1879 OD2 ASP A 136 9.192 -8.670 -4.567 1.00 0.00 O ATOM 0 H ASP A 136 11.410 -5.939 -6.338 1.00 0.00 H new ATOM 0 HA ASP A 136 9.406 -4.497 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 136 8.119 -6.492 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 136 9.060 -6.299 -6.682 1.00 0.00 H new ATOM 1884 N LEU A 137 9.065 -5.602 -2.662 1.00 0.00 N ATOM 1885 CA LEU A 137 9.138 -5.760 -1.219 1.00 0.00 C ATOM 1886 C LEU A 137 9.514 -7.175 -0.811 1.00 0.00 C ATOM 1887 O LEU A 137 8.832 -8.150 -1.145 1.00 0.00 O ATOM 1888 CB LEU A 137 7.775 -5.457 -0.594 1.00 0.00 C ATOM 1889 CG LEU A 137 7.457 -3.955 -0.497 1.00 0.00 C ATOM 1890 CD1 LEU A 137 6.370 -3.580 -1.502 1.00 0.00 C ATOM 1891 CD2 LEU A 137 7.028 -3.631 0.932 1.00 0.00 C ATOM 0 H LEU A 137 8.125 -5.428 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 137 9.906 -5.069 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 137 6.999 -5.946 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 137 7.739 -5.892 0.405 1.00 0.00 H new ATOM 0 HG LEU A 137 8.344 -3.370 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 137 6.154 -2.515 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 137 6.714 -3.807 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 137 5.466 -4.150 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 137 6.800 -2.568 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 137 6.142 -4.212 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 137 7.836 -3.881 1.620 1.00 0.00 H new ATOM 1903 N SER A 138 10.582 -7.260 -0.021 1.00 0.00 N ATOM 1904 CA SER A 138 11.110 -8.515 0.485 1.00 0.00 C ATOM 1905 C SER A 138 11.414 -8.349 1.975 1.00 0.00 C ATOM 1906 O SER A 138 10.631 -8.798 2.810 1.00 0.00 O ATOM 1907 CB SER A 138 12.325 -8.957 -0.340 1.00 0.00 C ATOM 1908 OG SER A 138 12.175 -8.776 -1.735 1.00 0.00 O ATOM 0 H SER A 138 11.110 -6.443 0.288 1.00 0.00 H new ATOM 0 HA SER A 138 10.377 -9.315 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 138 13.200 -8.400 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 138 12.522 -10.010 -0.141 1.00 0.00 H new ATOM 0 HG SER A 138 12.987 -9.077 -2.193 1.00 0.00 H new ATOM 1914 N ALA A 139 12.512 -7.659 2.308 1.00 0.00 N ATOM 1915 CA ALA A 139 12.927 -7.404 3.684 1.00 0.00 C ATOM 1916 C ALA A 139 13.587 -6.033 3.857 1.00 0.00 C ATOM 1917 O ALA A 139 13.835 -5.624 4.989 1.00 0.00 O ATOM 1918 CB ALA A 139 13.842 -8.529 4.184 1.00 0.00 C ATOM 0 H ALA A 139 13.144 -7.258 1.615 1.00 0.00 H new ATOM 0 HA ALA A 139 12.025 -7.388 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 139 14.143 -8.324 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 139 13.307 -9.478 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 139 14.728 -8.586 3.551 1.00 0.00 H new ATOM 1924 N ALA A 140 13.881 -5.307 2.772 1.00 0.00 N ATOM 1925 CA ALA A 140 14.494 -3.990 2.846 1.00 0.00 C ATOM 1926 C ALA A 140 13.427 -2.893 2.876 1.00 0.00 C ATOM 1927 O ALA A 140 13.675 -1.829 3.444 1.00 0.00 O ATOM 1928 CB ALA A 140 15.432 -3.782 1.653 1.00 0.00 C ATOM 0 H ALA A 140 13.697 -5.623 1.820 1.00 0.00 H new ATOM 0 HA ALA A 140 15.071 -3.930 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 140 15.887 -2.793 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 140 16.213 -4.542 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 140 14.865 -3.862 0.726 1.00 0.00 H new ATOM 1934 N ASN A 141 12.231 -3.157 2.327 1.00 0.00 N ATOM 1935 CA ASN A 141 11.144 -2.180 2.275 1.00 0.00 C ATOM 1936 C ASN A 141 9.941 -2.579 3.139 1.00 0.00 C ATOM 1937 O ASN A 141 9.045 -1.769 3.364 1.00 0.00 O ATOM 1938 CB ASN A 141 10.739 -1.956 0.810 1.00 0.00 C ATOM 1939 CG ASN A 141 11.900 -1.553 -0.105 1.00 0.00 C ATOM 1940 OD1 ASN A 141 12.909 -1.001 0.334 1.00 0.00 O ATOM 1941 ND2 ASN A 141 11.838 -1.946 -1.365 1.00 0.00 N ATOM 0 H ASN A 141 11.995 -4.056 1.908 1.00 0.00 H new ATOM 0 HA ASN A 141 11.508 -1.244 2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 141 10.288 -2.870 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 141 9.973 -1.181 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 141 12.632 -1.793 -1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 141 10.996 -2.402 -1.716 1.00 0.00 H new ATOM 1948 N VAL A 142 9.901 -3.832 3.602 1.00 0.00 N ATOM 1949 CA VAL A 142 8.849 -4.399 4.446 1.00 0.00 C ATOM 1950 C VAL A 142 9.111 -3.996 5.902 1.00 0.00 C ATOM 1951 O VAL A 142 10.248 -3.680 6.266 1.00 0.00 O ATOM 1952 CB VAL A 142 8.917 -5.944 4.291 1.00 0.00 C ATOM 1953 CG1 VAL A 142 8.058 -6.755 5.271 1.00 0.00 C ATOM 1954 CG2 VAL A 142 8.490 -6.346 2.877 1.00 0.00 C ATOM 0 H VAL A 142 10.635 -4.508 3.388 1.00 0.00 H new ATOM 0 HA VAL A 142 7.863 -4.036 4.158 1.00 0.00 H new ATOM 0 HB VAL A 142 9.958 -6.184 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 142 8.184 -7.819 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.370 -6.539 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.010 -6.484 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 142 8.540 -7.430 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 142 7.468 -6.012 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 142 9.157 -5.883 2.150 1.00 0.00 H new ATOM 1964 N VAL A 143 8.081 -4.042 6.752 1.00 0.00 N ATOM 1965 CA VAL A 143 8.167 -3.734 8.173 1.00 0.00 C ATOM 1966 C VAL A 143 7.370 -4.811 8.924 1.00 0.00 C ATOM 1967 O VAL A 143 6.383 -5.345 8.405 1.00 0.00 O ATOM 1968 CB VAL A 143 7.719 -2.295 8.490 1.00 0.00 C ATOM 1969 CG1 VAL A 143 8.294 -1.854 9.837 1.00 0.00 C ATOM 1970 CG2 VAL A 143 8.145 -1.247 7.443 1.00 0.00 C ATOM 0 H VAL A 143 7.140 -4.302 6.457 1.00 0.00 H new ATOM 0 HA VAL A 143 9.204 -3.760 8.508 1.00 0.00 H new ATOM 0 HB VAL A 143 6.630 -2.334 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 143 7.973 -0.835 10.054 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.937 -2.522 10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.383 -1.890 9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 143 7.787 -0.263 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.232 -1.230 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 143 7.717 -1.505 6.474 1.00 0.00 H new ATOM 1980 N PHE A 144 7.814 -5.150 10.137 1.00 0.00 N ATOM 1981 CA PHE A 144 7.223 -6.142 11.018 1.00 0.00 C ATOM 1982 C PHE A 144 6.526 -5.471 12.205 1.00 0.00 C ATOM 1983 O PHE A 144 5.426 -5.872 12.582 1.00 0.00 O ATOM 1984 CB PHE A 144 8.363 -7.030 11.511 1.00 0.00 C ATOM 1985 CG PHE A 144 8.723 -8.189 10.607 1.00 0.00 C ATOM 1986 CD1 PHE A 144 7.853 -9.286 10.470 1.00 0.00 C ATOM 1987 CD2 PHE A 144 9.946 -8.186 9.914 1.00 0.00 C ATOM 1988 CE1 PHE A 144 8.193 -10.358 9.630 1.00 0.00 C ATOM 1989 CE2 PHE A 144 10.282 -9.262 9.078 1.00 0.00 C ATOM 1990 CZ PHE A 144 9.396 -10.335 8.911 1.00 0.00 C ATOM 0 H PHE A 144 8.640 -4.713 10.546 1.00 0.00 H new ATOM 0 HA PHE A 144 6.469 -6.724 10.488 1.00 0.00 H new ATOM 0 HB2 PHE A 144 9.249 -6.411 11.649 1.00 0.00 H new ATOM 0 HB3 PHE A 144 8.095 -7.426 12.491 1.00 0.00 H new ATOM 0 HD1 PHE A 144 6.920 -9.303 11.013 1.00 0.00 H new ATOM 0 HD2 PHE A 144 10.627 -7.355 10.025 1.00 0.00 H new ATOM 0 HE1 PHE A 144 7.526 -11.202 9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 144 11.230 -9.263 8.560 1.00 0.00 H new ATOM 0 HZ PHE A 144 9.639 -11.139 8.232 1.00 0.00 H new