USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1037 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 121 GLN : amide:sc= 1.17 K(o=1.5,f=-5.5!) USER MOD Set 1.2: A 125 ASN : amide:sc= 0.356 K(o=1.5,f=-6.9!) USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0.427 USER MOD Set 2.2: A 104 SER OG : rot 97:sc= 0.467 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.491 USER MOD Set 3.2: A 100 THR OG1 : rot -67:sc= 0.534 USER MOD Set 4.1: A 61 SER OG : rot -74:sc= 0.978 USER MOD Set 4.2: A 62 MET CE :methyl -120:sc= -0.0155 (180deg=-0.272) USER MOD Set 5.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 37 HIS : no HE2:sc= -0.44 K(o=-0.17,f=-3.6) USER MOD Set 6.2: A 39 THR OG1 : rot -170:sc= 0.273 USER MOD Set 7.1: A 21 THR OG1 : rot 90:sc= 2.58 USER MOD Set 7.2: A 70 TYR OH : rot -48:sc= 0.556 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0016 (180deg=-0.197) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 7 THR OG1 : rot 30:sc= -1.27 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.16) USER MOD Single : A 30 ASN : amide:sc= -0.698 K(o=-0.7,f=-2.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0.954 (180deg=0.905) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 139:sc= 0.835 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.856) USER MOD Single : A 81 TYR OH : rot 159:sc= -1.4! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.15) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.17) USER MOD Single : A 116 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.53) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 126 ASN : amide:sc= 0.724 K(o=0.72,f=-1.3) USER MOD Single : A 128 LYS NZ :NH3+ -168:sc= 1.02 (180deg=0.917) USER MOD Single : A 130 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-0.73) USER MOD Single : A 133 SER OG : rot -59:sc= 0.993 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.550 14.046 13.052 1.00 0.00 N ATOM 2 CA MET A 1 -1.647 14.252 11.926 1.00 0.00 C ATOM 3 C MET A 1 -1.885 13.209 10.839 1.00 0.00 C ATOM 4 O MET A 1 -1.763 12.009 11.080 1.00 0.00 O ATOM 5 CB MET A 1 -0.195 14.204 12.397 1.00 0.00 C ATOM 6 CG MET A 1 0.833 14.359 11.286 1.00 0.00 C ATOM 7 SD MET A 1 0.726 15.958 10.456 1.00 0.00 S ATOM 8 CE MET A 1 1.368 17.042 11.729 1.00 0.00 C ATOM 0 H1 MET A 1 -2.369 14.768 13.779 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.535 14.122 12.726 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.391 13.101 13.456 1.00 0.00 H new ATOM 0 HA MET A 1 -1.848 15.236 11.503 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.038 14.993 13.133 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.022 13.255 12.905 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.833 14.237 11.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.693 13.564 10.554 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.566 18.026 11.303 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.636 17.135 12.531 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.293 16.626 12.128 1.00 0.00 H new ATOM 20 N ASN A 2 -2.229 13.675 9.642 1.00 0.00 N ATOM 21 CA ASN A 2 -2.339 12.797 8.483 1.00 0.00 C ATOM 22 C ASN A 2 -1.114 12.929 7.583 1.00 0.00 C ATOM 23 O ASN A 2 -0.723 14.034 7.208 1.00 0.00 O ATOM 24 CB ASN A 2 -3.606 13.072 7.695 1.00 0.00 C ATOM 25 CG ASN A 2 -4.869 12.783 8.457 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.149 11.635 8.821 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.670 13.804 8.631 1.00 0.00 N ATOM 0 H ASN A 2 -2.436 14.655 9.450 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.390 11.773 8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.611 14.117 7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.595 12.470 6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.573 13.672 9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.391 14.732 8.312 1.00 0.00 H new ATOM 34 N ILE A 3 -0.515 11.794 7.239 1.00 0.00 N ATOM 35 CA ILE A 3 0.627 11.777 6.334 1.00 0.00 C ATOM 36 C ILE A 3 0.247 11.183 4.981 1.00 0.00 C ATOM 37 O ILE A 3 -0.327 10.097 4.906 1.00 0.00 O ATOM 38 CB ILE A 3 1.804 10.979 6.923 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.277 11.614 8.233 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.947 10.900 5.923 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.293 10.782 8.983 1.00 0.00 C ATOM 0 H ILE A 3 -0.802 10.874 7.574 1.00 0.00 H new ATOM 0 HA ILE A 3 0.937 12.813 6.199 1.00 0.00 H new ATOM 0 HB ILE A 3 1.464 9.965 7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.710 12.591 8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.414 11.783 8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.771 10.332 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.603 10.405 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.288 11.906 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.580 11.297 9.900 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.858 9.814 9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.174 10.634 8.359 1.00 0.00 H new ATOM 53 N THR A 4 0.574 11.904 3.912 1.00 0.00 N ATOM 54 CA THR A 4 0.198 11.488 2.567 1.00 0.00 C ATOM 55 C THR A 4 1.431 11.249 1.702 1.00 0.00 C ATOM 56 O THR A 4 2.375 12.040 1.717 1.00 0.00 O ATOM 57 CB THR A 4 -0.703 12.532 1.883 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.882 12.740 2.672 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.105 12.061 0.494 1.00 0.00 C ATOM 0 H THR A 4 1.098 12.778 3.952 1.00 0.00 H new ATOM 0 HA THR A 4 -0.358 10.556 2.669 1.00 0.00 H new ATOM 0 HB THR A 4 -0.148 13.466 1.793 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.454 13.406 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.742 12.811 0.025 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.212 11.913 -0.113 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.650 11.120 0.572 1.00 0.00 H new ATOM 67 N VAL A 5 1.416 10.155 0.948 1.00 0.00 N ATOM 68 CA VAL A 5 2.471 9.878 -0.020 1.00 0.00 C ATOM 69 C VAL A 5 1.886 9.536 -1.386 1.00 0.00 C ATOM 70 O VAL A 5 0.762 9.049 -1.486 1.00 0.00 O ATOM 71 CB VAL A 5 3.378 8.724 0.445 1.00 0.00 C ATOM 72 CG1 VAL A 5 4.112 9.105 1.722 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.562 7.459 0.658 1.00 0.00 C ATOM 0 H VAL A 5 0.684 9.445 0.989 1.00 0.00 H new ATOM 0 HA VAL A 5 3.070 10.785 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 5 4.117 8.531 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.748 8.278 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.726 9.987 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.388 9.324 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.219 6.653 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.802 7.640 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.080 7.175 -0.277 1.00 0.00 H new ATOM 83 N GLU A 6 2.661 9.794 -2.436 1.00 0.00 N ATOM 84 CA GLU A 6 2.143 9.736 -3.799 1.00 0.00 C ATOM 85 C GLU A 6 3.210 9.232 -4.765 1.00 0.00 C ATOM 86 O GLU A 6 4.394 9.536 -4.616 1.00 0.00 O ATOM 87 CB GLU A 6 1.637 11.112 -4.241 1.00 0.00 C ATOM 88 CG GLU A 6 0.923 11.118 -5.585 1.00 0.00 C ATOM 89 CD GLU A 6 0.432 12.494 -5.937 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.259 13.079 -5.138 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.838 13.006 -6.954 1.00 0.00 O ATOM 0 H GLU A 6 3.647 10.045 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 6 1.308 9.035 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.957 11.497 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.483 11.798 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.601 10.762 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.081 10.426 -5.555 1.00 0.00 H new ATOM 98 N THR A 7 2.783 8.457 -5.757 1.00 0.00 N ATOM 99 CA THR A 7 3.660 8.064 -6.853 1.00 0.00 C ATOM 100 C THR A 7 2.872 7.850 -8.140 1.00 0.00 C ATOM 101 O THR A 7 1.771 7.297 -8.122 1.00 0.00 O ATOM 102 CB THR A 7 4.439 6.779 -6.519 1.00 0.00 C ATOM 103 OG1 THR A 7 5.528 6.625 -7.439 1.00 0.00 O ATOM 104 CG2 THR A 7 3.528 5.565 -6.608 1.00 0.00 C ATOM 0 H THR A 7 1.834 8.089 -5.824 1.00 0.00 H new ATOM 0 HA THR A 7 4.368 8.880 -6.997 1.00 0.00 H new ATOM 0 HB THR A 7 4.823 6.858 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.836 7.508 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.096 4.666 -6.369 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.706 5.674 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.128 5.483 -7.619 1.00 0.00 H new ATOM 112 N THR A 8 3.441 8.292 -9.258 1.00 0.00 N ATOM 113 CA THR A 8 2.804 8.124 -10.558 1.00 0.00 C ATOM 114 C THR A 8 3.533 7.080 -11.397 1.00 0.00 C ATOM 115 O THR A 8 4.747 7.153 -11.579 1.00 0.00 O ATOM 116 CB THR A 8 2.754 9.451 -11.338 1.00 0.00 C ATOM 117 OG1 THR A 8 1.981 10.410 -10.605 1.00 0.00 O ATOM 118 CG2 THR A 8 2.127 9.241 -12.708 1.00 0.00 C ATOM 0 H THR A 8 4.342 8.769 -9.289 1.00 0.00 H new ATOM 0 HA THR A 8 1.785 7.787 -10.368 1.00 0.00 H new ATOM 0 HB THR A 8 3.772 9.817 -11.468 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.951 11.254 -11.102 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.100 10.189 -13.245 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.719 8.521 -13.273 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.112 8.862 -12.589 1.00 0.00 H new ATOM 126 N VAL A 9 2.781 6.108 -11.905 1.00 0.00 N ATOM 127 CA VAL A 9 3.369 4.985 -12.625 1.00 0.00 C ATOM 128 C VAL A 9 2.880 4.941 -14.068 1.00 0.00 C ATOM 129 O VAL A 9 1.730 5.274 -14.354 1.00 0.00 O ATOM 130 CB VAL A 9 3.046 3.643 -11.941 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.574 3.632 -10.514 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.547 3.386 -11.955 1.00 0.00 C ATOM 0 H VAL A 9 1.764 6.076 -11.831 1.00 0.00 H new ATOM 0 HA VAL A 9 4.449 5.135 -12.615 1.00 0.00 H new ATOM 0 HB VAL A 9 3.538 2.845 -12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.337 2.677 -10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.655 3.773 -10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.109 4.439 -9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.337 2.434 -11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.035 4.187 -11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.193 3.352 -12.985 1.00 0.00 H new ATOM 142 N ALA A 10 3.760 4.525 -14.974 1.00 0.00 N ATOM 143 CA ALA A 10 3.378 4.304 -16.364 1.00 0.00 C ATOM 144 C ALA A 10 2.963 2.855 -16.595 1.00 0.00 C ATOM 145 O ALA A 10 3.738 2.054 -17.116 1.00 0.00 O ATOM 146 CB ALA A 10 4.525 4.683 -17.291 1.00 0.00 C ATOM 0 H ALA A 10 4.741 4.334 -14.770 1.00 0.00 H new ATOM 0 HA ALA A 10 2.520 4.939 -16.587 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.228 4.514 -18.326 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.772 5.735 -17.152 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.397 4.072 -17.059 1.00 0.00 H new ATOM 152 N ALA A 11 1.735 2.527 -16.204 1.00 0.00 N ATOM 153 CA ALA A 11 1.217 1.175 -16.374 1.00 0.00 C ATOM 154 C ALA A 11 -0.285 1.194 -16.636 1.00 0.00 C ATOM 155 O ALA A 11 -0.978 2.171 -16.351 1.00 0.00 O ATOM 156 CB ALA A 11 1.531 0.332 -15.148 1.00 0.00 C ATOM 0 H ALA A 11 1.082 3.178 -15.768 1.00 0.00 H new ATOM 0 HA ALA A 11 1.705 0.730 -17.241 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.138 -0.675 -15.289 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.611 0.284 -15.006 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.069 0.782 -14.269 1.00 0.00 H new ATOM 162 N PRO A 12 -0.803 0.089 -17.192 1.00 0.00 N ATOM 163 CA PRO A 12 -2.236 -0.066 -17.462 1.00 0.00 C ATOM 164 C PRO A 12 -3.087 0.154 -16.215 1.00 0.00 C ATOM 165 O PRO A 12 -2.741 -0.305 -15.126 1.00 0.00 O ATOM 166 CB PRO A 12 -2.360 -1.497 -17.991 1.00 0.00 C ATOM 167 CG PRO A 12 -1.012 -1.806 -18.547 1.00 0.00 C ATOM 168 CD PRO A 12 -0.035 -1.116 -17.634 1.00 0.00 C ATOM 0 HA PRO A 12 -2.602 0.675 -18.172 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.631 -2.192 -17.196 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.132 -1.572 -18.757 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.834 -2.881 -18.572 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.917 -1.443 -19.570 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.250 -1.747 -16.792 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.884 -0.844 -18.154 1.00 0.00 H new ATOM 176 N VAL A 13 -4.202 0.858 -16.382 1.00 0.00 N ATOM 177 CA VAL A 13 -4.986 1.327 -15.246 1.00 0.00 C ATOM 178 C VAL A 13 -5.572 0.158 -14.461 1.00 0.00 C ATOM 179 O VAL A 13 -5.726 0.230 -13.244 1.00 0.00 O ATOM 180 CB VAL A 13 -6.130 2.257 -15.694 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.219 1.462 -16.397 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.704 3.007 -14.502 1.00 0.00 C ATOM 0 H VAL A 13 -4.582 1.116 -17.293 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.306 1.887 -14.604 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.726 2.985 -16.398 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.019 2.135 -16.706 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.800 0.968 -17.274 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.620 0.712 -15.715 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.511 3.659 -14.837 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.092 2.293 -13.776 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.921 3.607 -14.038 1.00 0.00 H new ATOM 192 N GLY A 14 -5.894 -0.920 -15.169 1.00 0.00 N ATOM 193 CA GLY A 14 -6.389 -2.116 -14.514 1.00 0.00 C ATOM 194 C GLY A 14 -5.325 -2.800 -13.678 1.00 0.00 C ATOM 195 O GLY A 14 -5.587 -3.228 -12.554 1.00 0.00 O ATOM 0 H GLY A 14 -5.821 -0.986 -16.184 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.235 -1.855 -13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.759 -2.812 -15.267 1.00 0.00 H new ATOM 199 N LYS A 15 -4.120 -2.908 -14.230 1.00 0.00 N ATOM 200 CA LYS A 15 -3.010 -3.538 -13.525 1.00 0.00 C ATOM 201 C LYS A 15 -2.625 -2.733 -12.287 1.00 0.00 C ATOM 202 O LYS A 15 -2.278 -3.299 -11.250 1.00 0.00 O ATOM 203 CB LYS A 15 -1.803 -3.690 -14.452 1.00 0.00 C ATOM 204 CG LYS A 15 -1.979 -4.733 -15.549 1.00 0.00 C ATOM 205 CD LYS A 15 -0.702 -4.910 -16.354 1.00 0.00 C ATOM 206 CE LYS A 15 -0.899 -5.895 -17.498 1.00 0.00 C ATOM 207 NZ LYS A 15 0.342 -6.073 -18.300 1.00 0.00 N ATOM 0 H LYS A 15 -3.888 -2.567 -15.163 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.333 -4.529 -13.204 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.592 -2.726 -14.915 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.931 -3.954 -13.853 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.266 -5.686 -15.105 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.791 -4.433 -16.212 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.385 -3.946 -16.752 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.096 -5.263 -15.701 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.213 -6.859 -17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.702 -5.543 -18.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.165 -6.751 -19.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.628 -5.159 -18.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.102 -6.434 -17.688 1.00 0.00 H new ATOM 221 N VAL A 16 -2.690 -1.411 -12.402 1.00 0.00 N ATOM 222 CA VAL A 16 -2.321 -0.528 -11.301 1.00 0.00 C ATOM 223 C VAL A 16 -3.357 -0.579 -10.184 1.00 0.00 C ATOM 224 O VAL A 16 -3.010 -0.648 -9.005 1.00 0.00 O ATOM 225 CB VAL A 16 -2.160 0.928 -11.775 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.937 1.853 -10.588 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.009 1.045 -12.763 1.00 0.00 C ATOM 0 H VAL A 16 -2.995 -0.927 -13.247 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.364 -0.883 -10.920 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.078 1.228 -12.280 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.825 2.878 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.792 1.793 -9.914 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.034 1.552 -10.057 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.911 2.081 -13.086 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.084 0.726 -12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.206 0.412 -13.628 1.00 0.00 H new ATOM 237 N TRP A 17 -4.629 -0.543 -10.563 1.00 0.00 N ATOM 238 CA TRP A 17 -5.717 -0.612 -9.593 1.00 0.00 C ATOM 239 C TRP A 17 -5.699 -1.943 -8.850 1.00 0.00 C ATOM 240 O TRP A 17 -5.879 -1.987 -7.633 1.00 0.00 O ATOM 241 CB TRP A 17 -7.066 -0.416 -10.287 1.00 0.00 C ATOM 242 CG TRP A 17 -7.315 0.997 -10.721 1.00 0.00 C ATOM 243 CD1 TRP A 17 -6.409 2.014 -10.748 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.552 1.549 -11.188 1.00 0.00 C ATOM 245 NE1 TRP A 17 -7.003 3.165 -11.202 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.320 2.905 -11.480 1.00 0.00 C ATOM 247 CE3 TRP A 17 -9.836 1.025 -11.387 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.316 3.743 -11.958 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -10.834 1.866 -11.867 1.00 0.00 C ATOM 250 CH2 TRP A 17 -10.581 3.185 -12.145 1.00 0.00 C ATOM 0 H TRP A 17 -4.933 -0.467 -11.534 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.574 0.189 -8.868 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -7.116 -1.069 -11.158 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.862 -0.726 -9.610 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.373 1.927 -10.455 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.540 4.067 -11.314 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.047 -0.012 -11.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.121 4.783 -12.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.828 1.473 -12.024 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -11.381 3.807 -12.518 1.00 0.00 H new ATOM 261 N ARG A 18 -5.480 -3.026 -9.588 1.00 0.00 N ATOM 262 CA ARG A 18 -5.428 -4.357 -8.996 1.00 0.00 C ATOM 263 C ARG A 18 -4.241 -4.484 -8.047 1.00 0.00 C ATOM 264 O ARG A 18 -4.273 -5.269 -7.099 1.00 0.00 O ATOM 265 CB ARG A 18 -5.424 -5.455 -10.050 1.00 0.00 C ATOM 266 CG ARG A 18 -6.748 -5.657 -10.770 1.00 0.00 C ATOM 267 CD ARG A 18 -6.707 -6.671 -11.854 1.00 0.00 C ATOM 268 NE ARG A 18 -7.972 -6.868 -12.543 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.143 -7.663 -13.616 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.129 -8.308 -14.150 1.00 0.00 N ATOM 271 NH2 ARG A 18 -9.355 -7.760 -14.136 1.00 0.00 N ATOM 0 H ARG A 18 -5.336 -3.008 -10.598 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.340 -4.490 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.656 -5.226 -10.789 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.139 -6.394 -9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.503 -5.952 -10.041 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.068 -4.704 -11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.953 -6.375 -12.583 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.386 -7.623 -11.432 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.788 -6.369 -12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.195 -8.210 -13.751 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.276 -8.906 -14.963 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.130 -7.240 -13.724 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.515 -8.355 -14.949 1.00 0.00 H new ATOM 285 N ALA A 19 -3.196 -3.706 -8.308 1.00 0.00 N ATOM 286 CA ALA A 19 -1.954 -3.819 -7.553 1.00 0.00 C ATOM 287 C ALA A 19 -2.088 -3.173 -6.177 1.00 0.00 C ATOM 288 O ALA A 19 -1.164 -3.218 -5.367 1.00 0.00 O ATOM 289 CB ALA A 19 -0.808 -3.182 -8.326 1.00 0.00 C ATOM 0 H ALA A 19 -3.184 -2.991 -9.036 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.739 -4.878 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.114 -3.273 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.690 -3.688 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.026 -2.128 -8.497 1.00 0.00 H new ATOM 295 N TYR A 20 -3.245 -2.572 -5.921 1.00 0.00 N ATOM 296 CA TYR A 20 -3.461 -1.823 -4.690 1.00 0.00 C ATOM 297 C TYR A 20 -3.100 -2.665 -3.470 1.00 0.00 C ATOM 298 O TYR A 20 -2.655 -2.141 -2.447 1.00 0.00 O ATOM 299 CB TYR A 20 -4.915 -1.354 -4.595 1.00 0.00 C ATOM 300 CG TYR A 20 -5.856 -2.387 -4.017 1.00 0.00 C ATOM 301 CD1 TYR A 20 -6.374 -3.400 -4.810 1.00 0.00 C ATOM 302 CD2 TYR A 20 -6.228 -2.345 -2.681 1.00 0.00 C ATOM 303 CE1 TYR A 20 -7.234 -4.347 -4.288 1.00 0.00 C ATOM 304 CE2 TYR A 20 -7.086 -3.286 -2.147 1.00 0.00 C ATOM 305 CZ TYR A 20 -7.588 -4.286 -2.955 1.00 0.00 C ATOM 306 OH TYR A 20 -8.445 -5.225 -2.431 1.00 0.00 O ATOM 0 H TYR A 20 -4.048 -2.589 -6.550 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.811 -0.949 -4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.957 -0.455 -3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.263 -1.077 -5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.100 -3.449 -5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.839 -1.562 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.627 -5.130 -4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.362 -3.240 -1.104 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.591 -5.040 -1.480 1.00 0.00 H new ATOM 316 N THR A 21 -3.295 -3.975 -3.585 1.00 0.00 N ATOM 317 CA THR A 21 -2.818 -4.910 -2.572 1.00 0.00 C ATOM 318 C THR A 21 -2.348 -6.214 -3.207 1.00 0.00 C ATOM 319 O THR A 21 -3.031 -7.235 -3.132 1.00 0.00 O ATOM 320 CB THR A 21 -3.910 -5.221 -1.532 1.00 0.00 C ATOM 321 OG1 THR A 21 -4.408 -3.996 -0.979 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.351 -6.087 -0.413 1.00 0.00 C ATOM 0 H THR A 21 -3.779 -4.413 -4.369 1.00 0.00 H new ATOM 0 HA THR A 21 -1.978 -4.430 -2.070 1.00 0.00 H new ATOM 0 HB THR A 21 -4.718 -5.761 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.161 -3.675 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.137 -6.296 0.312 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.982 -7.025 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.533 -5.561 0.080 1.00 0.00 H new ATOM 330 N THR A 22 -1.175 -6.173 -3.831 1.00 0.00 N ATOM 331 CA THR A 22 -0.520 -7.385 -4.307 1.00 0.00 C ATOM 332 C THR A 22 0.660 -7.758 -3.415 1.00 0.00 C ATOM 333 O THR A 22 1.531 -6.938 -3.122 1.00 0.00 O ATOM 334 CB THR A 22 -0.026 -7.230 -5.757 1.00 0.00 C ATOM 335 OG1 THR A 22 -1.144 -6.990 -6.622 1.00 0.00 O ATOM 336 CG2 THR A 22 0.701 -8.487 -6.211 1.00 0.00 C ATOM 0 H THR A 22 -0.659 -5.313 -4.019 1.00 0.00 H new ATOM 0 HA THR A 22 -1.265 -8.180 -4.272 1.00 0.00 H new ATOM 0 HB THR A 22 0.665 -6.388 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.828 -6.890 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.043 -8.359 -7.238 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.559 -8.665 -5.563 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.023 -9.339 -6.158 1.00 0.00 H new ATOM 344 N PRO A 23 0.691 -9.025 -2.973 1.00 0.00 N ATOM 345 CA PRO A 23 1.725 -9.517 -2.059 1.00 0.00 C ATOM 346 C PRO A 23 3.104 -9.554 -2.707 1.00 0.00 C ATOM 347 O PRO A 23 4.120 -9.362 -2.040 1.00 0.00 O ATOM 348 CB PRO A 23 1.254 -10.934 -1.722 1.00 0.00 C ATOM 349 CG PRO A 23 0.330 -11.299 -2.831 1.00 0.00 C ATOM 350 CD PRO A 23 -0.356 -10.024 -3.236 1.00 0.00 C ATOM 0 HA PRO A 23 1.839 -8.872 -1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.094 -11.627 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.747 -10.964 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.878 -11.731 -3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.395 -12.045 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.656 -10.036 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.255 -9.839 -2.649 1.00 0.00 H new ATOM 358 N GLU A 24 3.132 -9.801 -4.014 1.00 0.00 N ATOM 359 CA GLU A 24 4.377 -9.762 -4.771 1.00 0.00 C ATOM 360 C GLU A 24 4.971 -8.357 -4.771 1.00 0.00 C ATOM 361 O GLU A 24 6.190 -8.186 -4.751 1.00 0.00 O ATOM 362 CB GLU A 24 4.147 -10.239 -6.207 1.00 0.00 C ATOM 363 CG GLU A 24 3.853 -11.727 -6.336 1.00 0.00 C ATOM 364 CD GLU A 24 3.554 -12.103 -7.761 1.00 0.00 C ATOM 365 OE1 GLU A 24 3.509 -11.226 -8.590 1.00 0.00 O ATOM 366 OE2 GLU A 24 3.482 -13.276 -8.042 1.00 0.00 O ATOM 0 H GLU A 24 2.307 -10.030 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 24 5.086 -10.434 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.316 -9.678 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.030 -10.003 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.707 -12.301 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.005 -11.989 -5.703 1.00 0.00 H new ATOM 373 N ASP A 25 4.101 -7.354 -4.795 1.00 0.00 N ATOM 374 CA ASP A 25 4.527 -5.967 -4.635 1.00 0.00 C ATOM 375 C ASP A 25 4.993 -5.703 -3.208 1.00 0.00 C ATOM 376 O ASP A 25 5.984 -5.006 -2.987 1.00 0.00 O ATOM 377 CB ASP A 25 3.392 -5.010 -5.007 1.00 0.00 C ATOM 378 CG ASP A 25 3.074 -4.957 -6.494 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.845 -5.478 -7.265 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.994 -4.540 -6.836 1.00 0.00 O ATOM 0 H ASP A 25 3.096 -7.474 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 25 5.366 -5.792 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.493 -5.305 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.653 -4.007 -4.668 1.00 0.00 H new ATOM 385 N ILE A 26 4.274 -6.263 -2.242 1.00 0.00 N ATOM 386 CA ILE A 26 4.604 -6.072 -0.835 1.00 0.00 C ATOM 387 C ILE A 26 5.964 -6.674 -0.503 1.00 0.00 C ATOM 388 O ILE A 26 6.659 -6.209 0.401 1.00 0.00 O ATOM 389 CB ILE A 26 3.539 -6.695 0.086 1.00 0.00 C ATOM 390 CG1 ILE A 26 2.227 -5.910 -0.008 1.00 0.00 C ATOM 391 CG2 ILE A 26 4.036 -6.737 1.522 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.052 -6.605 0.639 1.00 0.00 C ATOM 0 H ILE A 26 3.459 -6.853 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 26 4.634 -4.996 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 26 3.353 -7.718 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.363 -4.935 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.997 -5.730 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.271 -7.180 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.945 -7.337 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.250 -5.724 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.160 -5.988 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.888 -7.568 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.260 -6.761 1.698 1.00 0.00 H new ATOM 404 N LYS A 27 6.342 -7.713 -1.240 1.00 0.00 N ATOM 405 CA LYS A 27 7.666 -8.309 -1.104 1.00 0.00 C ATOM 406 C LYS A 27 8.757 -7.269 -1.333 1.00 0.00 C ATOM 407 O LYS A 27 9.860 -7.386 -0.802 1.00 0.00 O ATOM 408 CB LYS A 27 7.834 -9.475 -2.079 1.00 0.00 C ATOM 409 CG LYS A 27 7.060 -10.730 -1.699 1.00 0.00 C ATOM 410 CD LYS A 27 7.239 -11.827 -2.737 1.00 0.00 C ATOM 411 CE LYS A 27 6.428 -13.064 -2.384 1.00 0.00 C ATOM 412 NZ LYS A 27 6.584 -14.142 -3.398 1.00 0.00 N ATOM 0 H LYS A 27 5.749 -8.160 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 27 7.761 -8.688 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.515 -9.153 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.893 -9.724 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.399 -11.088 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.001 -10.490 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.933 -11.457 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.294 -12.091 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.741 -13.436 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.375 -12.795 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.015 -14.966 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.262 -13.796 -4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.585 -14.418 -3.461 1.00 0.00 H new ATOM 426 N GLN A 28 8.440 -6.250 -2.126 1.00 0.00 N ATOM 427 CA GLN A 28 9.357 -5.138 -2.344 1.00 0.00 C ATOM 428 C GLN A 28 9.301 -4.149 -1.185 1.00 0.00 C ATOM 429 O GLN A 28 10.192 -3.317 -1.022 1.00 0.00 O ATOM 430 CB GLN A 28 9.028 -4.420 -3.656 1.00 0.00 C ATOM 431 CG GLN A 28 9.138 -5.299 -4.891 1.00 0.00 C ATOM 432 CD GLN A 28 10.524 -5.889 -5.061 1.00 0.00 C ATOM 433 OE1 GLN A 28 11.531 -5.182 -4.959 1.00 0.00 O ATOM 434 NE2 GLN A 28 10.586 -7.189 -5.324 1.00 0.00 N ATOM 0 H GLN A 28 7.555 -6.172 -2.628 1.00 0.00 H new ATOM 0 HA GLN A 28 10.366 -5.545 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.015 -4.023 -3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.698 -3.568 -3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.408 -6.106 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.885 -4.713 -5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.728 -7.735 -5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.492 -7.641 -5.450 1.00 0.00 H new ATOM 443 N TRP A 29 8.245 -4.245 -0.384 1.00 0.00 N ATOM 444 CA TRP A 29 8.081 -3.370 0.771 1.00 0.00 C ATOM 445 C TRP A 29 8.722 -3.982 2.012 1.00 0.00 C ATOM 446 O TRP A 29 8.340 -3.665 3.139 1.00 0.00 O ATOM 447 CB TRP A 29 6.599 -3.092 1.025 1.00 0.00 C ATOM 448 CG TRP A 29 5.922 -2.375 -0.104 1.00 0.00 C ATOM 449 CD1 TRP A 29 6.477 -2.032 -1.300 1.00 0.00 C ATOM 450 CD2 TRP A 29 4.566 -1.914 -0.143 1.00 0.00 C ATOM 451 NE1 TRP A 29 5.552 -1.385 -2.082 1.00 0.00 N ATOM 452 CE2 TRP A 29 4.369 -1.302 -1.392 1.00 0.00 C ATOM 453 CE3 TRP A 29 3.497 -1.962 0.762 1.00 0.00 C ATOM 454 CZ2 TRP A 29 3.156 -0.742 -1.763 1.00 0.00 C ATOM 455 CZ3 TRP A 29 2.282 -1.401 0.391 1.00 0.00 C ATOM 456 CH2 TRP A 29 2.116 -0.809 -0.836 1.00 0.00 C ATOM 0 H TRP A 29 7.491 -4.919 -0.513 1.00 0.00 H new ATOM 0 HA TRP A 29 8.583 -2.427 0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.086 -4.037 1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.500 -2.498 1.934 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.496 -2.239 -1.591 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.717 -1.025 -3.022 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.616 -2.427 1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.022 -0.274 -2.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.452 -1.431 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.156 -0.384 -1.090 1.00 0.00 H new ATOM 467 N ASN A 30 9.695 -4.860 1.799 1.00 0.00 N ATOM 468 CA ASN A 30 10.257 -5.656 2.884 1.00 0.00 C ATOM 469 C ASN A 30 10.929 -4.764 3.922 1.00 0.00 C ATOM 470 O ASN A 30 11.175 -3.584 3.675 1.00 0.00 O ATOM 471 CB ASN A 30 11.237 -6.692 2.364 1.00 0.00 C ATOM 472 CG ASN A 30 12.486 -6.099 1.772 1.00 0.00 C ATOM 473 OD1 ASN A 30 13.226 -5.368 2.439 1.00 0.00 O ATOM 474 ND2 ASN A 30 12.680 -6.345 0.501 1.00 0.00 N ATOM 0 H ASN A 30 10.111 -5.039 0.885 1.00 0.00 H new ATOM 0 HA ASN A 30 9.432 -6.184 3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.514 -7.359 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.741 -7.301 1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.473 -5.925 0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.038 -6.957 -0.004 1.00 0.00 H new ATOM 481 N ALA A 31 11.226 -5.337 5.084 1.00 0.00 N ATOM 482 CA ALA A 31 11.703 -4.558 6.221 1.00 0.00 C ATOM 483 C ALA A 31 13.226 -4.465 6.223 1.00 0.00 C ATOM 484 O ALA A 31 13.791 -3.386 6.398 1.00 0.00 O ATOM 485 CB ALA A 31 11.208 -5.168 7.524 1.00 0.00 C ATOM 0 H ALA A 31 11.145 -6.338 5.263 1.00 0.00 H new ATOM 0 HA ALA A 31 11.303 -3.548 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.572 -4.576 8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.118 -5.176 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.579 -6.189 7.612 1.00 0.00 H new ATOM 491 N ALA A 32 13.882 -5.603 6.027 1.00 0.00 N ATOM 492 CA ALA A 32 15.337 -5.665 6.087 1.00 0.00 C ATOM 493 C ALA A 32 15.945 -5.661 4.689 1.00 0.00 C ATOM 494 O ALA A 32 16.375 -4.621 4.190 1.00 0.00 O ATOM 495 CB ALA A 32 15.783 -6.900 6.856 1.00 0.00 C ATOM 0 H ALA A 32 13.429 -6.495 5.825 1.00 0.00 H new ATOM 0 HA ALA A 32 15.692 -4.778 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 32 16.872 -6.932 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.387 -6.859 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.410 -7.794 6.357 1.00 0.00 H new ATOM 501 N SER A 33 15.979 -6.833 4.060 1.00 0.00 N ATOM 502 CA SER A 33 16.558 -6.968 2.729 1.00 0.00 C ATOM 503 C SER A 33 15.862 -8.076 1.945 1.00 0.00 C ATOM 504 O SER A 33 15.320 -9.016 2.526 1.00 0.00 O ATOM 505 CB SER A 33 18.046 -7.244 2.831 1.00 0.00 C ATOM 506 OG SER A 33 18.631 -7.443 1.573 1.00 0.00 O ATOM 0 H SER A 33 15.613 -7.701 4.451 1.00 0.00 H new ATOM 0 HA SER A 33 16.411 -6.030 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.536 -6.408 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.209 -8.126 3.450 1.00 0.00 H new ATOM 0 HG SER A 33 19.589 -7.616 1.682 1.00 0.00 H new ATOM 512 N ASP A 34 15.882 -7.958 0.623 1.00 0.00 N ATOM 513 CA ASP A 34 15.201 -8.915 -0.242 1.00 0.00 C ATOM 514 C ASP A 34 15.968 -10.233 -0.303 1.00 0.00 C ATOM 515 O ASP A 34 15.570 -11.162 -1.004 1.00 0.00 O ATOM 516 CB ASP A 34 15.025 -8.341 -1.649 1.00 0.00 C ATOM 517 CG ASP A 34 16.331 -8.075 -2.388 1.00 0.00 C ATOM 518 OD1 ASP A 34 17.370 -8.321 -1.824 1.00 0.00 O ATOM 519 OD2 ASP A 34 16.278 -7.777 -3.556 1.00 0.00 O ATOM 0 H ASP A 34 16.363 -7.208 0.126 1.00 0.00 H new ATOM 0 HA ASP A 34 14.215 -9.108 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.423 -9.033 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.464 -7.409 -1.581 1.00 0.00 H new ATOM 524 N ASP A 35 17.070 -10.305 0.437 1.00 0.00 N ATOM 525 CA ASP A 35 17.870 -11.522 0.502 1.00 0.00 C ATOM 526 C ASP A 35 17.758 -12.174 1.877 1.00 0.00 C ATOM 527 O ASP A 35 17.701 -13.398 1.992 1.00 0.00 O ATOM 528 CB ASP A 35 19.335 -11.223 0.176 1.00 0.00 C ATOM 529 CG ASP A 35 19.570 -10.687 -1.229 1.00 0.00 C ATOM 530 OD1 ASP A 35 19.159 -11.330 -2.165 1.00 0.00 O ATOM 531 OD2 ASP A 35 20.016 -9.571 -1.351 1.00 0.00 O ATOM 0 H ASP A 35 17.429 -9.534 1.000 1.00 0.00 H new ATOM 0 HA ASP A 35 17.483 -12.219 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.714 -10.498 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 35 19.917 -12.136 0.306 1.00 0.00 H new ATOM 536 N TRP A 36 17.728 -11.348 2.916 1.00 0.00 N ATOM 537 CA TRP A 36 17.812 -11.840 4.286 1.00 0.00 C ATOM 538 C TRP A 36 16.457 -11.748 4.982 1.00 0.00 C ATOM 539 O TRP A 36 16.319 -12.126 6.145 1.00 0.00 O ATOM 540 CB TRP A 36 18.863 -11.055 5.074 1.00 0.00 C ATOM 541 CG TRP A 36 20.241 -11.149 4.492 1.00 0.00 C ATOM 542 CD1 TRP A 36 20.867 -10.214 3.724 1.00 0.00 C ATOM 543 CD2 TRP A 36 21.162 -12.238 4.632 1.00 0.00 C ATOM 544 NE1 TRP A 36 22.121 -10.651 3.375 1.00 0.00 N ATOM 545 CE2 TRP A 36 22.326 -11.892 3.923 1.00 0.00 C ATOM 546 CE3 TRP A 36 21.114 -13.472 5.291 1.00 0.00 C ATOM 547 CZ2 TRP A 36 23.427 -12.730 3.849 1.00 0.00 C ATOM 548 CZ3 TRP A 36 22.219 -14.312 5.218 1.00 0.00 C ATOM 549 CH2 TRP A 36 23.344 -13.951 4.518 1.00 0.00 C ATOM 0 H TRP A 36 17.646 -10.334 2.836 1.00 0.00 H new ATOM 0 HA TRP A 36 18.110 -12.888 4.250 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.566 -10.007 5.116 1.00 0.00 H new ATOM 0 HB3 TRP A 36 18.885 -11.422 6.100 1.00 0.00 H new ATOM 0 HD1 TRP A 36 20.439 -9.266 3.432 1.00 0.00 H new ATOM 0 HE1 TRP A 36 22.791 -10.137 2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 36 20.235 -13.766 5.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 24.312 -12.450 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 22.192 -15.267 5.722 1.00 0.00 H new ATOM 0 HH2 TRP A 36 24.184 -14.629 4.485 1.00 0.00 H new ATOM 560 N HIS A 37 15.461 -11.244 4.260 1.00 0.00 N ATOM 561 CA HIS A 37 14.124 -11.074 4.817 1.00 0.00 C ATOM 562 C HIS A 37 13.106 -11.917 4.054 1.00 0.00 C ATOM 563 O HIS A 37 13.119 -11.961 2.824 1.00 0.00 O ATOM 564 CB HIS A 37 13.710 -9.599 4.795 1.00 0.00 C ATOM 565 CG HIS A 37 12.481 -9.307 5.598 1.00 0.00 C ATOM 566 ND1 HIS A 37 11.216 -9.304 5.047 1.00 0.00 N ATOM 567 CD2 HIS A 37 12.321 -9.008 6.909 1.00 0.00 C ATOM 568 CE1 HIS A 37 10.332 -9.016 5.987 1.00 0.00 C ATOM 569 NE2 HIS A 37 10.976 -8.832 7.124 1.00 0.00 N ATOM 0 H HIS A 37 15.555 -10.947 3.289 1.00 0.00 H new ATOM 0 HA HIS A 37 14.148 -11.413 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.533 -8.994 5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.540 -9.294 3.763 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.997 -9.494 4.069 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.105 -8.924 7.647 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.263 -8.944 5.848 1.00 0.00 H new ATOM 576 N THR A 38 12.225 -12.585 4.793 1.00 0.00 N ATOM 577 CA THR A 38 11.121 -13.318 4.187 1.00 0.00 C ATOM 578 C THR A 38 9.814 -12.543 4.308 1.00 0.00 C ATOM 579 O THR A 38 9.368 -12.224 5.410 1.00 0.00 O ATOM 580 CB THR A 38 10.945 -14.707 4.829 1.00 0.00 C ATOM 581 OG1 THR A 38 12.134 -15.481 4.631 1.00 0.00 O ATOM 582 CG2 THR A 38 9.761 -15.434 4.210 1.00 0.00 C ATOM 0 H THR A 38 12.255 -12.633 5.811 1.00 0.00 H new ATOM 0 HA THR A 38 11.368 -13.445 3.133 1.00 0.00 H new ATOM 0 HB THR A 38 10.761 -14.578 5.896 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.022 -16.364 5.041 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.652 -16.413 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.853 -14.853 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.929 -15.558 3.140 1.00 0.00 H new ATOM 590 N THR A 39 9.201 -12.243 3.167 1.00 0.00 N ATOM 591 CA THR A 39 7.963 -11.474 3.143 1.00 0.00 C ATOM 592 C THR A 39 6.841 -12.260 2.474 1.00 0.00 C ATOM 593 O THR A 39 6.967 -12.683 1.325 1.00 0.00 O ATOM 594 CB THR A 39 8.145 -10.133 2.409 1.00 0.00 C ATOM 595 OG1 THR A 39 9.173 -9.369 3.054 1.00 0.00 O ATOM 596 CG2 THR A 39 6.848 -9.339 2.417 1.00 0.00 C ATOM 0 H THR A 39 9.542 -12.521 2.247 1.00 0.00 H new ATOM 0 HA THR A 39 7.696 -11.275 4.181 1.00 0.00 H new ATOM 0 HB THR A 39 8.427 -10.337 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.181 -8.459 2.690 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.996 -8.394 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.067 -9.912 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.549 -9.140 3.446 1.00 0.00 H new ATOM 604 N ALA A 40 5.744 -12.451 3.200 1.00 0.00 N ATOM 605 CA ALA A 40 4.544 -13.045 2.627 1.00 0.00 C ATOM 606 C ALA A 40 3.300 -12.253 3.015 1.00 0.00 C ATOM 607 O ALA A 40 3.178 -11.786 4.147 1.00 0.00 O ATOM 608 CB ALA A 40 4.409 -14.494 3.073 1.00 0.00 C ATOM 0 H ALA A 40 5.662 -12.203 4.186 1.00 0.00 H new ATOM 0 HA ALA A 40 4.637 -13.016 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.508 -14.926 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.280 -15.060 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.343 -14.535 4.160 1.00 0.00 H new ATOM 614 N ALA A 41 2.379 -12.103 2.068 1.00 0.00 N ATOM 615 CA ALA A 41 1.160 -11.339 2.301 1.00 0.00 C ATOM 616 C ALA A 41 -0.070 -12.119 1.849 1.00 0.00 C ATOM 617 O ALA A 41 -0.080 -12.720 0.774 1.00 0.00 O ATOM 618 CB ALA A 41 1.231 -10.001 1.582 1.00 0.00 C ATOM 0 H ALA A 41 2.455 -12.501 1.132 1.00 0.00 H new ATOM 0 HA ALA A 41 1.072 -11.159 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.314 -9.441 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.084 -9.433 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.346 -10.169 0.511 1.00 0.00 H new ATOM 624 N THR A 42 -1.111 -12.106 2.678 1.00 0.00 N ATOM 625 CA THR A 42 -2.384 -12.716 2.317 1.00 0.00 C ATOM 626 C THR A 42 -3.521 -11.705 2.401 1.00 0.00 C ATOM 627 O THR A 42 -3.668 -11.003 3.400 1.00 0.00 O ATOM 628 CB THR A 42 -2.710 -13.918 3.221 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.682 -14.909 3.094 1.00 0.00 O ATOM 630 CG2 THR A 42 -4.048 -14.529 2.834 1.00 0.00 C ATOM 0 H THR A 42 -1.096 -11.679 3.604 1.00 0.00 H new ATOM 0 HA THR A 42 -2.287 -13.064 1.289 1.00 0.00 H new ATOM 0 HB THR A 42 -2.765 -13.572 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.891 -15.673 3.672 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.262 -15.378 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.834 -13.782 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.008 -14.866 1.798 1.00 0.00 H new ATOM 638 N VAL A 43 -4.326 -11.637 1.344 1.00 0.00 N ATOM 639 CA VAL A 43 -5.373 -10.627 1.246 1.00 0.00 C ATOM 640 C VAL A 43 -6.689 -11.244 0.783 1.00 0.00 C ATOM 641 O VAL A 43 -6.717 -12.041 -0.154 1.00 0.00 O ATOM 642 CB VAL A 43 -4.977 -9.496 0.278 1.00 0.00 C ATOM 643 CG1 VAL A 43 -4.757 -10.046 -1.123 1.00 0.00 C ATOM 644 CG2 VAL A 43 -6.045 -8.412 0.261 1.00 0.00 C ATOM 0 H VAL A 43 -4.273 -12.269 0.545 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.503 -10.208 2.244 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.043 -9.056 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.478 -9.233 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.959 -10.788 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.676 -10.511 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.749 -7.621 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.993 -8.840 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.159 -7.997 1.263 1.00 0.00 H new ATOM 654 N ASP A 44 -7.777 -10.868 1.446 1.00 0.00 N ATOM 655 CA ASP A 44 -9.115 -11.119 0.924 1.00 0.00 C ATOM 656 C ASP A 44 -9.629 -9.913 0.145 1.00 0.00 C ATOM 657 O ASP A 44 -9.976 -8.885 0.727 1.00 0.00 O ATOM 658 CB ASP A 44 -10.080 -11.464 2.062 1.00 0.00 C ATOM 659 CG ASP A 44 -11.486 -11.829 1.604 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.740 -11.770 0.424 1.00 0.00 O ATOM 661 OD2 ASP A 44 -12.245 -12.311 2.410 1.00 0.00 O ATOM 0 H ASP A 44 -7.759 -10.388 2.346 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.058 -11.969 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.668 -12.297 2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.141 -10.613 2.741 1.00 0.00 H new ATOM 666 N LEU A 45 -9.674 -10.046 -1.177 1.00 0.00 N ATOM 667 CA LEU A 45 -9.938 -8.906 -2.050 1.00 0.00 C ATOM 668 C LEU A 45 -11.429 -8.588 -2.095 1.00 0.00 C ATOM 669 O LEU A 45 -12.133 -8.991 -3.021 1.00 0.00 O ATOM 670 CB LEU A 45 -9.406 -9.186 -3.462 1.00 0.00 C ATOM 671 CG LEU A 45 -7.889 -9.386 -3.561 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.503 -9.754 -4.987 1.00 0.00 C ATOM 673 CD2 LEU A 45 -7.179 -8.114 -3.121 1.00 0.00 C ATOM 0 H LEU A 45 -9.532 -10.929 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.420 -8.037 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.900 -10.078 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.690 -8.357 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.586 -10.202 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.424 -9.894 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.005 -10.678 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.803 -8.954 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.101 -8.256 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.479 -7.288 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.448 -7.885 -2.090 1.00 0.00 H new ATOM 685 N ARG A 46 -11.903 -7.858 -1.089 1.00 0.00 N ATOM 686 CA ARG A 46 -13.301 -7.452 -1.034 1.00 0.00 C ATOM 687 C ARG A 46 -13.504 -6.340 -0.008 1.00 0.00 C ATOM 688 O ARG A 46 -12.683 -6.154 0.889 1.00 0.00 O ATOM 689 CB ARG A 46 -14.233 -8.627 -0.778 1.00 0.00 C ATOM 690 CG ARG A 46 -14.088 -9.272 0.592 1.00 0.00 C ATOM 691 CD ARG A 46 -14.990 -10.428 0.823 1.00 0.00 C ATOM 692 NE ARG A 46 -14.750 -11.141 2.068 1.00 0.00 N ATOM 693 CZ ARG A 46 -15.295 -10.813 3.256 1.00 0.00 C ATOM 694 NH1 ARG A 46 -16.081 -9.765 3.373 1.00 0.00 N ATOM 695 NH2 ARG A 46 -15.000 -11.559 4.306 1.00 0.00 N ATOM 0 H ARG A 46 -11.339 -7.537 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.563 -7.057 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.262 -8.288 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.057 -9.385 -1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.056 -9.601 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.279 -8.519 1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.021 -10.075 0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.885 -11.126 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.125 -11.946 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.286 -9.187 2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.486 -9.530 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.375 -12.359 4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.397 -11.335 5.218 1.00 0.00 H new ATOM 709 N GLU A 47 -14.603 -5.605 -0.148 1.00 0.00 N ATOM 710 CA GLU A 47 -15.055 -4.701 0.903 1.00 0.00 C ATOM 711 C GLU A 47 -15.405 -5.473 2.172 1.00 0.00 C ATOM 712 O GLU A 47 -16.222 -6.394 2.146 1.00 0.00 O ATOM 713 CB GLU A 47 -16.262 -3.888 0.429 1.00 0.00 C ATOM 714 CG GLU A 47 -16.739 -2.835 1.420 1.00 0.00 C ATOM 715 CD GLU A 47 -17.889 -2.043 0.863 1.00 0.00 C ATOM 716 OE1 GLU A 47 -18.250 -2.269 -0.267 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.479 -1.291 1.603 1.00 0.00 O ATOM 0 H GLU A 47 -15.196 -5.618 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.239 -4.016 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -16.008 -3.397 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -17.085 -4.571 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.043 -3.318 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.916 -2.163 1.664 1.00 0.00 H new ATOM 724 N GLY A 48 -14.779 -5.093 3.281 1.00 0.00 N ATOM 725 CA GLY A 48 -14.968 -5.816 4.524 1.00 0.00 C ATOM 726 C GLY A 48 -13.978 -6.952 4.690 1.00 0.00 C ATOM 727 O GLY A 48 -13.958 -7.622 5.721 1.00 0.00 O ATOM 0 H GLY A 48 -14.144 -4.297 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.868 -5.125 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.982 -6.214 4.559 1.00 0.00 H new ATOM 731 N GLY A 49 -13.155 -7.172 3.669 1.00 0.00 N ATOM 732 CA GLY A 49 -12.241 -8.299 3.681 1.00 0.00 C ATOM 733 C GLY A 49 -11.110 -8.119 4.673 1.00 0.00 C ATOM 734 O GLY A 49 -10.801 -6.997 5.074 1.00 0.00 O ATOM 0 H GLY A 49 -13.105 -6.589 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.792 -9.207 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.826 -8.436 2.683 1.00 0.00 H new ATOM 738 N ALA A 50 -10.490 -9.225 5.071 1.00 0.00 N ATOM 739 CA ALA A 50 -9.397 -9.184 6.034 1.00 0.00 C ATOM 740 C ALA A 50 -8.045 -9.280 5.336 1.00 0.00 C ATOM 741 O ALA A 50 -7.925 -9.893 4.274 1.00 0.00 O ATOM 742 CB ALA A 50 -9.549 -10.306 7.050 1.00 0.00 C ATOM 0 H ALA A 50 -10.726 -10.161 4.741 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.440 -8.227 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.726 -10.264 7.764 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.495 -10.192 7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.535 -11.267 6.536 1.00 0.00 H new ATOM 748 N PHE A 51 -7.030 -8.669 5.936 1.00 0.00 N ATOM 749 CA PHE A 51 -5.672 -8.745 5.410 1.00 0.00 C ATOM 750 C PHE A 51 -4.684 -9.129 6.508 1.00 0.00 C ATOM 751 O PHE A 51 -4.828 -8.717 7.659 1.00 0.00 O ATOM 752 CB PHE A 51 -5.268 -7.413 4.776 1.00 0.00 C ATOM 753 CG PHE A 51 -3.844 -7.374 4.304 1.00 0.00 C ATOM 754 CD1 PHE A 51 -3.481 -7.958 3.098 1.00 0.00 C ATOM 755 CD2 PHE A 51 -2.862 -6.755 5.062 1.00 0.00 C ATOM 756 CE1 PHE A 51 -2.170 -7.923 2.663 1.00 0.00 C ATOM 757 CE2 PHE A 51 -1.551 -6.718 4.629 1.00 0.00 C ATOM 758 CZ PHE A 51 -1.205 -7.302 3.427 1.00 0.00 C ATOM 0 H PHE A 51 -7.122 -8.115 6.788 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.649 -9.519 4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.926 -7.209 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.423 -6.614 5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.232 -8.445 2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.126 -6.296 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.901 -8.383 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.797 -6.232 5.231 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.181 -7.272 3.086 1.00 0.00 H new ATOM 768 N SER A 52 -3.680 -9.920 6.143 1.00 0.00 N ATOM 769 CA SER A 52 -2.632 -10.306 7.079 1.00 0.00 C ATOM 770 C SER A 52 -1.297 -10.475 6.361 1.00 0.00 C ATOM 771 O SER A 52 -1.202 -11.189 5.363 1.00 0.00 O ATOM 772 CB SER A 52 -3.016 -11.587 7.795 1.00 0.00 C ATOM 773 OG SER A 52 -2.019 -12.012 8.683 1.00 0.00 O ATOM 0 H SER A 52 -3.571 -10.306 5.205 1.00 0.00 H new ATOM 0 HA SER A 52 -2.520 -9.511 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.946 -11.432 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.205 -12.370 7.061 1.00 0.00 H new ATOM 0 HG SER A 52 -2.305 -12.838 9.125 1.00 0.00 H new ATOM 779 N SER A 53 -0.267 -9.811 6.878 1.00 0.00 N ATOM 780 CA SER A 53 1.068 -9.902 6.298 1.00 0.00 C ATOM 781 C SER A 53 2.045 -10.543 7.279 1.00 0.00 C ATOM 782 O SER A 53 2.162 -10.112 8.427 1.00 0.00 O ATOM 783 CB SER A 53 1.555 -8.525 5.888 1.00 0.00 C ATOM 784 OG SER A 53 2.866 -8.556 5.396 1.00 0.00 O ATOM 0 H SER A 53 -0.332 -9.205 7.696 1.00 0.00 H new ATOM 0 HA SER A 53 1.015 -10.535 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.891 -8.118 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.505 -7.853 6.745 1.00 0.00 H new ATOM 0 HG SER A 53 3.141 -7.651 5.142 1.00 0.00 H new ATOM 790 N ARG A 54 2.742 -11.576 6.819 1.00 0.00 N ATOM 791 CA ARG A 54 3.700 -12.286 7.659 1.00 0.00 C ATOM 792 C ARG A 54 5.132 -11.960 7.246 1.00 0.00 C ATOM 793 O ARG A 54 5.574 -12.326 6.158 1.00 0.00 O ATOM 794 CB ARG A 54 3.449 -13.788 7.674 1.00 0.00 C ATOM 795 CG ARG A 54 4.381 -14.582 8.577 1.00 0.00 C ATOM 796 CD ARG A 54 4.064 -16.030 8.660 1.00 0.00 C ATOM 797 NE ARG A 54 4.997 -16.806 9.462 1.00 0.00 N ATOM 798 CZ ARG A 54 4.910 -18.135 9.665 1.00 0.00 C ATOM 799 NH1 ARG A 54 3.919 -18.834 9.158 1.00 0.00 N ATOM 800 NH2 ARG A 54 5.838 -18.715 10.407 1.00 0.00 N ATOM 0 H ARG A 54 2.662 -11.940 5.870 1.00 0.00 H new ATOM 0 HA ARG A 54 3.557 -11.937 8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.421 -13.967 7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.541 -14.168 6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.403 -14.466 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.346 -14.156 9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.063 -16.147 9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.041 -16.443 7.651 1.00 0.00 H new ATOM 0 HE ARG A 54 5.772 -16.309 9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.201 -18.371 8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.868 -19.840 9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.593 -18.158 10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.799 -19.720 10.579 1.00 0.00 H new ATOM 814 N MET A 55 5.851 -11.269 8.126 1.00 0.00 N ATOM 815 CA MET A 55 7.246 -10.926 7.870 1.00 0.00 C ATOM 816 C MET A 55 8.164 -11.578 8.899 1.00 0.00 C ATOM 817 O MET A 55 7.882 -11.556 10.095 1.00 0.00 O ATOM 818 CB MET A 55 7.428 -9.409 7.878 1.00 0.00 C ATOM 819 CG MET A 55 6.727 -8.685 6.738 1.00 0.00 C ATOM 820 SD MET A 55 7.065 -6.913 6.730 1.00 0.00 S ATOM 821 CE MET A 55 6.231 -6.416 5.226 1.00 0.00 C ATOM 0 H MET A 55 5.492 -10.936 9.021 1.00 0.00 H new ATOM 0 HA MET A 55 7.517 -11.306 6.885 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.057 -9.016 8.824 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.493 -9.183 7.835 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.045 -9.116 5.789 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.652 -8.846 6.817 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.350 -5.342 5.082 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.664 -6.946 4.378 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.171 -6.657 5.301 1.00 0.00 H new ATOM 831 N GLU A 56 9.262 -12.156 8.423 1.00 0.00 N ATOM 832 CA GLU A 56 10.238 -12.784 9.307 1.00 0.00 C ATOM 833 C GLU A 56 11.659 -12.550 8.801 1.00 0.00 C ATOM 834 O GLU A 56 11.885 -12.400 7.600 1.00 0.00 O ATOM 835 CB GLU A 56 9.961 -14.284 9.433 1.00 0.00 C ATOM 836 CG GLU A 56 8.618 -14.625 10.063 1.00 0.00 C ATOM 837 CD GLU A 56 8.465 -16.108 10.252 1.00 0.00 C ATOM 838 OE1 GLU A 56 9.364 -16.830 9.893 1.00 0.00 O ATOM 839 OE2 GLU A 56 7.500 -16.513 10.856 1.00 0.00 O ATOM 0 H GLU A 56 9.498 -12.203 7.432 1.00 0.00 H new ATOM 0 HA GLU A 56 10.145 -12.327 10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.008 -14.734 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.753 -14.739 10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.527 -14.122 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.812 -14.252 9.431 1.00 0.00 H new ATOM 846 N ALA A 57 12.613 -12.520 9.725 1.00 0.00 N ATOM 847 CA ALA A 57 14.025 -12.498 9.365 1.00 0.00 C ATOM 848 C ALA A 57 14.558 -13.911 9.148 1.00 0.00 C ATOM 849 O ALA A 57 14.308 -14.811 9.952 1.00 0.00 O ATOM 850 CB ALA A 57 14.832 -11.787 10.440 1.00 0.00 C ATOM 0 H ALA A 57 12.434 -12.510 10.729 1.00 0.00 H new ATOM 0 HA ALA A 57 14.128 -11.951 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.885 -11.778 10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.475 -10.762 10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.715 -12.311 11.389 1.00 0.00 H new ATOM 856 N LYS A 58 15.291 -14.101 8.059 1.00 0.00 N ATOM 857 CA LYS A 58 15.815 -15.416 7.705 1.00 0.00 C ATOM 858 C LYS A 58 16.840 -15.886 8.734 1.00 0.00 C ATOM 859 O LYS A 58 17.100 -17.082 8.863 1.00 0.00 O ATOM 860 CB LYS A 58 16.441 -15.389 6.310 1.00 0.00 C ATOM 861 CG LYS A 58 15.434 -15.286 5.172 1.00 0.00 C ATOM 862 CD LYS A 58 16.118 -15.396 3.817 1.00 0.00 C ATOM 863 CE LYS A 58 15.117 -15.262 2.678 1.00 0.00 C ATOM 864 NZ LYS A 58 15.772 -15.368 1.347 1.00 0.00 N ATOM 0 H LYS A 58 15.537 -13.360 7.403 1.00 0.00 H new ATOM 0 HA LYS A 58 14.983 -16.120 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.128 -14.545 6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.034 -16.293 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.689 -16.075 5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.903 -14.336 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.879 -14.621 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.630 -16.355 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.356 -16.037 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.606 -14.302 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.079 -15.154 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.559 -14.691 1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.136 -16.333 1.215 1.00 0.00 H new ATOM 878 N ASP A 59 17.418 -14.938 9.463 1.00 0.00 N ATOM 879 CA ASP A 59 18.369 -15.258 10.520 1.00 0.00 C ATOM 880 C ASP A 59 17.643 -15.583 11.822 1.00 0.00 C ATOM 881 O ASP A 59 18.269 -15.912 12.829 1.00 0.00 O ATOM 882 CB ASP A 59 19.347 -14.102 10.735 1.00 0.00 C ATOM 883 CG ASP A 59 18.708 -12.831 11.279 1.00 0.00 C ATOM 884 OD1 ASP A 59 17.532 -12.850 11.551 1.00 0.00 O ATOM 885 OD2 ASP A 59 19.429 -11.904 11.568 1.00 0.00 O ATOM 0 H ASP A 59 17.244 -13.940 9.341 1.00 0.00 H new ATOM 0 HA ASP A 59 18.933 -16.138 10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.127 -14.426 11.424 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.834 -13.873 9.787 1.00 0.00 H new ATOM 890 N GLY A 60 16.317 -15.488 11.795 1.00 0.00 N ATOM 891 CA GLY A 60 15.515 -15.970 12.905 1.00 0.00 C ATOM 892 C GLY A 60 15.663 -15.108 14.143 1.00 0.00 C ATOM 893 O GLY A 60 15.297 -15.524 15.244 1.00 0.00 O ATOM 0 H GLY A 60 15.784 -15.086 11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.467 -15.997 12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.805 -16.994 13.142 1.00 0.00 H new ATOM 897 N SER A 61 16.199 -13.906 13.966 1.00 0.00 N ATOM 898 CA SER A 61 16.472 -13.016 15.088 1.00 0.00 C ATOM 899 C SER A 61 15.212 -12.264 15.505 1.00 0.00 C ATOM 900 O SER A 61 15.043 -11.913 16.673 1.00 0.00 O ATOM 901 CB SER A 61 17.578 -12.043 14.729 1.00 0.00 C ATOM 902 OG SER A 61 17.185 -11.148 13.725 1.00 0.00 O ATOM 0 H SER A 61 16.453 -13.525 13.055 1.00 0.00 H new ATOM 0 HA SER A 61 16.799 -13.621 15.934 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.872 -11.484 15.618 1.00 0.00 H new ATOM 0 HB3 SER A 61 18.455 -12.598 14.397 1.00 0.00 H new ATOM 0 HG SER A 61 17.154 -11.615 12.864 1.00 0.00 H new ATOM 908 N MET A 62 14.330 -12.023 14.542 1.00 0.00 N ATOM 909 CA MET A 62 13.127 -11.236 14.788 1.00 0.00 C ATOM 910 C MET A 62 12.040 -11.572 13.770 1.00 0.00 C ATOM 911 O MET A 62 12.326 -12.087 12.690 1.00 0.00 O ATOM 912 CB MET A 62 13.452 -9.745 14.745 1.00 0.00 C ATOM 913 CG MET A 62 13.953 -9.248 13.397 1.00 0.00 C ATOM 914 SD MET A 62 14.559 -7.550 13.464 1.00 0.00 S ATOM 915 CE MET A 62 16.104 -7.776 14.339 1.00 0.00 C ATOM 0 H MET A 62 14.425 -12.361 13.584 1.00 0.00 H new ATOM 0 HA MET A 62 12.753 -11.485 15.781 1.00 0.00 H new ATOM 0 HB2 MET A 62 12.558 -9.183 15.016 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.206 -9.528 15.501 1.00 0.00 H new ATOM 0 HG2 MET A 62 14.752 -9.901 13.047 1.00 0.00 H new ATOM 0 HG3 MET A 62 13.146 -9.313 12.667 1.00 0.00 H new ATOM 0 HE1 MET A 62 16.087 -7.197 15.263 1.00 0.00 H new ATOM 0 HE2 MET A 62 16.238 -8.832 14.575 1.00 0.00 H new ATOM 0 HE3 MET A 62 16.930 -7.437 13.713 1.00 0.00 H new ATOM 925 N GLY A 63 10.792 -11.276 14.124 1.00 0.00 N ATOM 926 CA GLY A 63 9.713 -11.341 13.157 1.00 0.00 C ATOM 927 C GLY A 63 8.725 -10.202 13.314 1.00 0.00 C ATOM 928 O GLY A 63 8.871 -9.361 14.203 1.00 0.00 O ATOM 0 H GLY A 63 10.510 -10.993 15.063 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.130 -11.320 12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.189 -12.290 13.265 1.00 0.00 H new ATOM 932 N PHE A 64 7.715 -10.171 12.450 1.00 0.00 N ATOM 933 CA PHE A 64 6.735 -9.093 12.455 1.00 0.00 C ATOM 934 C PHE A 64 5.385 -9.582 11.942 1.00 0.00 C ATOM 935 O PHE A 64 5.303 -10.233 10.900 1.00 0.00 O ATOM 936 CB PHE A 64 7.228 -7.917 11.610 1.00 0.00 C ATOM 937 CG PHE A 64 6.243 -6.787 11.511 1.00 0.00 C ATOM 938 CD1 PHE A 64 5.955 -6.000 12.617 1.00 0.00 C ATOM 939 CD2 PHE A 64 5.602 -6.509 10.314 1.00 0.00 C ATOM 940 CE1 PHE A 64 5.048 -4.960 12.527 1.00 0.00 C ATOM 941 CE2 PHE A 64 4.696 -5.470 10.221 1.00 0.00 C ATOM 942 CZ PHE A 64 4.419 -4.696 11.329 1.00 0.00 C ATOM 0 H PHE A 64 7.555 -10.882 11.737 1.00 0.00 H new ATOM 0 HA PHE A 64 6.609 -8.756 13.484 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.158 -7.540 12.036 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.459 -8.274 10.606 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.445 -6.202 13.558 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.813 -7.112 9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.832 -4.355 13.395 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.205 -5.264 9.281 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.710 -3.884 11.258 1.00 0.00 H new ATOM 952 N ASP A 65 4.327 -9.265 12.681 1.00 0.00 N ATOM 953 CA ASP A 65 2.982 -9.700 12.319 1.00 0.00 C ATOM 954 C ASP A 65 2.065 -8.502 12.101 1.00 0.00 C ATOM 955 O ASP A 65 1.798 -7.734 13.024 1.00 0.00 O ATOM 956 CB ASP A 65 2.404 -10.618 13.399 1.00 0.00 C ATOM 957 CG ASP A 65 1.028 -11.182 13.075 1.00 0.00 C ATOM 958 OD1 ASP A 65 0.457 -10.773 12.090 1.00 0.00 O ATOM 959 OD2 ASP A 65 0.626 -12.122 13.716 1.00 0.00 O ATOM 0 H ASP A 65 4.375 -8.708 13.534 1.00 0.00 H new ATOM 0 HA ASP A 65 3.048 -10.258 11.385 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.094 -11.446 13.562 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.345 -10.064 14.336 1.00 0.00 H new ATOM 964 N PHE A 66 1.585 -8.348 10.871 1.00 0.00 N ATOM 965 CA PHE A 66 0.701 -7.239 10.528 1.00 0.00 C ATOM 966 C PHE A 66 -0.684 -7.747 10.141 1.00 0.00 C ATOM 967 O PHE A 66 -0.817 -8.657 9.325 1.00 0.00 O ATOM 968 CB PHE A 66 1.297 -6.410 9.389 1.00 0.00 C ATOM 969 CG PHE A 66 0.453 -5.235 8.988 1.00 0.00 C ATOM 970 CD1 PHE A 66 0.456 -4.070 9.742 1.00 0.00 C ATOM 971 CD2 PHE A 66 -0.348 -5.290 7.857 1.00 0.00 C ATOM 972 CE1 PHE A 66 -0.320 -2.988 9.374 1.00 0.00 C ATOM 973 CE2 PHE A 66 -1.124 -4.209 7.487 1.00 0.00 C ATOM 974 CZ PHE A 66 -1.110 -3.057 8.247 1.00 0.00 C ATOM 0 H PHE A 66 1.793 -8.977 10.095 1.00 0.00 H new ATOM 0 HA PHE A 66 0.600 -6.604 11.408 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.282 -6.052 9.689 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.443 -7.054 8.521 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.072 -4.009 10.627 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.365 -6.189 7.259 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.308 -2.087 9.970 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.742 -4.265 6.603 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.717 -2.211 7.959 1.00 0.00 H new ATOM 984 N ALA A 67 -1.713 -7.151 10.733 1.00 0.00 N ATOM 985 CA ALA A 67 -3.087 -7.565 10.477 1.00 0.00 C ATOM 986 C ALA A 67 -4.023 -6.362 10.423 1.00 0.00 C ATOM 987 O ALA A 67 -3.813 -5.369 11.119 1.00 0.00 O ATOM 988 CB ALA A 67 -3.550 -8.548 11.542 1.00 0.00 C ATOM 0 H ALA A 67 -1.621 -6.379 11.394 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.115 -8.058 9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.578 -8.848 11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.906 -9.427 11.530 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.499 -8.074 12.522 1.00 0.00 H new ATOM 994 N GLY A 68 -5.055 -6.458 9.592 1.00 0.00 N ATOM 995 CA GLY A 68 -6.045 -5.397 9.513 1.00 0.00 C ATOM 996 C GLY A 68 -7.261 -5.800 8.703 1.00 0.00 C ATOM 997 O GLY A 68 -7.320 -6.904 8.162 1.00 0.00 O ATOM 0 H GLY A 68 -5.225 -7.250 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.358 -5.120 10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.591 -4.513 9.066 1.00 0.00 H new ATOM 1001 N THR A 69 -8.238 -4.902 8.619 1.00 0.00 N ATOM 1002 CA THR A 69 -9.454 -5.164 7.861 1.00 0.00 C ATOM 1003 C THR A 69 -9.814 -3.980 6.971 1.00 0.00 C ATOM 1004 O THR A 69 -9.541 -2.829 7.310 1.00 0.00 O ATOM 1005 CB THR A 69 -10.642 -5.474 8.790 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.887 -4.352 9.649 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.349 -6.702 9.639 1.00 0.00 C ATOM 0 H THR A 69 -8.210 -3.986 9.067 1.00 0.00 H new ATOM 0 HA THR A 69 -9.254 -6.036 7.238 1.00 0.00 H new ATOM 0 HB THR A 69 -11.521 -5.670 8.176 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.644 -4.550 10.238 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.200 -6.906 10.289 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.175 -7.560 8.990 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.463 -6.521 10.247 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.428 -4.270 5.829 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.883 -3.225 4.918 1.00 0.00 C ATOM 1017 C TYR A 70 -12.276 -2.737 5.302 1.00 0.00 C ATOM 1018 O TYR A 70 -13.123 -3.516 5.742 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.890 -3.741 3.479 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.508 -4.005 2.924 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.748 -2.977 2.378 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -8.961 -5.282 2.947 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.486 -3.215 1.870 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -7.700 -5.528 2.442 1.00 0.00 C ATOM 1025 CZ TYR A 70 -6.966 -4.492 1.904 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.708 -4.732 1.400 1.00 0.00 O ATOM 0 H TYR A 70 -10.622 -5.220 5.512 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.190 -2.387 4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.472 -4.661 3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.395 -3.014 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.151 -1.975 2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.532 -6.096 3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.909 -2.405 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.290 -6.527 2.468 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.625 -4.317 0.516 1.00 0.00 H new ATOM 1036 N THR A 71 -12.510 -1.439 5.133 1.00 0.00 N ATOM 1037 CA THR A 71 -13.782 -0.835 5.506 1.00 0.00 C ATOM 1038 C THR A 71 -14.574 -0.418 4.272 1.00 0.00 C ATOM 1039 O THR A 71 -15.803 -0.335 4.309 1.00 0.00 O ATOM 1040 CB THR A 71 -13.582 0.392 6.414 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.827 1.390 5.713 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.841 0.000 7.684 1.00 0.00 C ATOM 0 H THR A 71 -11.833 -0.785 4.739 1.00 0.00 H new ATOM 0 HA THR A 71 -14.341 -1.593 6.056 1.00 0.00 H new ATOM 0 HB THR A 71 -14.560 0.789 6.684 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.204 2.275 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.708 0.880 8.314 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.418 -0.750 8.225 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.865 -0.410 7.424 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.865 -0.155 3.179 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.498 0.300 1.947 1.00 0.00 C ATOM 1052 C LYS A 72 -13.618 -0.006 0.739 1.00 0.00 C ATOM 1053 O LYS A 72 -12.418 0.270 0.747 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.796 1.799 2.018 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.501 2.359 0.790 1.00 0.00 C ATOM 1056 CD LYS A 72 -15.787 3.845 0.945 1.00 0.00 C ATOM 1057 CE LYS A 72 -16.833 4.100 2.021 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.120 5.550 2.187 1.00 0.00 N ATOM 0 H LYS A 72 -12.851 -0.249 3.122 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.439 -0.238 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.412 1.993 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.859 2.337 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.883 2.196 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.436 1.822 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.866 4.370 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.134 4.251 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.753 3.576 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.486 3.688 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.837 5.679 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.248 6.048 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.476 5.938 1.290 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.223 -0.573 -0.300 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.538 -0.763 -1.572 1.00 0.00 C ATOM 1074 C VAL A 73 -14.449 -0.413 -2.743 1.00 0.00 C ATOM 1075 O VAL A 73 -15.542 -0.962 -2.881 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.040 -2.212 -1.735 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.338 -2.386 -3.074 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.107 -2.587 -0.594 1.00 0.00 C ATOM 0 H VAL A 73 -15.186 -0.909 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.678 -0.093 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.903 -2.877 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.993 -3.415 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.033 -2.158 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.485 -1.710 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.765 -3.614 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.248 -1.916 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.638 -2.500 0.354 1.00 0.00 H new ATOM 1088 N VAL A 74 -13.990 0.505 -3.589 1.00 0.00 N ATOM 1089 CA VAL A 74 -14.813 1.024 -4.675 1.00 0.00 C ATOM 1090 C VAL A 74 -14.079 0.938 -6.008 1.00 0.00 C ATOM 1091 O VAL A 74 -13.079 1.619 -6.222 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.229 2.485 -4.421 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.072 3.007 -5.575 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -15.993 2.601 -3.111 1.00 0.00 C ATOM 0 H VAL A 74 -13.053 0.904 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.709 0.405 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.327 3.092 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.357 4.041 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.495 2.959 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.969 2.396 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.279 3.640 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.888 1.981 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.360 2.265 -2.290 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.588 0.096 -6.903 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.101 0.059 -8.278 1.00 0.00 C ATOM 1106 C GLU A 75 -12.575 0.043 -8.314 1.00 0.00 C ATOM 1107 O GLU A 75 -11.959 0.636 -9.200 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.637 1.253 -9.070 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.153 1.293 -9.200 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.602 2.482 -10.002 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.767 3.267 -10.384 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.763 2.550 -10.328 1.00 0.00 O ATOM 0 H GLU A 75 -15.336 -0.568 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.465 -0.858 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.302 2.172 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.199 1.237 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.503 0.377 -9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.604 1.329 -8.208 1.00 0.00 H new ATOM 1119 N ASN A 76 -11.973 -0.640 -7.347 1.00 0.00 N ATOM 1120 CA ASN A 76 -10.520 -0.737 -7.271 1.00 0.00 C ATOM 1121 C ASN A 76 -9.876 0.642 -7.369 1.00 0.00 C ATOM 1122 O ASN A 76 -8.777 0.790 -7.904 1.00 0.00 O ATOM 1123 CB ASN A 76 -9.968 -1.656 -8.345 1.00 0.00 C ATOM 1124 CG ASN A 76 -10.529 -3.050 -8.298 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -10.326 -3.791 -7.330 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -11.167 -3.437 -9.374 1.00 0.00 N ATOM 0 H ASN A 76 -12.468 -1.135 -6.605 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.272 -1.167 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.177 -1.223 -9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.884 -1.707 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.523 -4.391 -9.441 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.308 -2.785 -10.146 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.568 1.651 -6.849 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.206 3.039 -7.104 1.00 0.00 C ATOM 1135 C LYS A 77 -10.194 3.845 -5.810 1.00 0.00 C ATOM 1136 O LYS A 77 -9.406 4.778 -5.655 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.169 3.669 -8.111 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.802 5.087 -8.531 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.770 5.621 -9.575 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.496 7.086 -9.885 1.00 0.00 C ATOM 1141 NZ LYS A 77 -10.165 7.281 -10.522 1.00 0.00 N ATOM 0 H LYS A 77 -11.383 1.532 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.201 3.053 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.210 3.039 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.170 3.678 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.808 5.740 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.788 5.099 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.685 5.032 -10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.793 5.508 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.274 7.468 -10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.546 7.667 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.153 8.188 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.427 7.285 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.984 6.506 -11.192 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.072 3.479 -4.882 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.058 4.060 -3.544 1.00 0.00 C ATOM 1157 C ARG A 78 -11.104 2.971 -2.478 1.00 0.00 C ATOM 1158 O ARG A 78 -12.093 2.245 -2.360 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.169 5.082 -3.349 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.069 6.313 -4.237 1.00 0.00 C ATOM 1161 CD ARG A 78 -10.989 7.257 -3.855 1.00 0.00 C ATOM 1162 NE ARG A 78 -10.945 8.476 -4.648 1.00 0.00 N ATOM 1163 CZ ARG A 78 -10.295 8.601 -5.821 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -9.603 7.603 -6.324 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -10.351 9.766 -6.444 1.00 0.00 N ATOM 0 H ARG A 78 -11.802 2.783 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.117 4.599 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.127 4.596 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.170 5.402 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.907 5.992 -5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.022 6.841 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.113 7.525 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.030 6.747 -3.943 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.441 9.293 -4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.552 6.715 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.117 7.716 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.876 10.539 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.869 9.892 -7.334 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.031 2.861 -1.703 1.00 0.00 N ATOM 1180 CA ILE A 79 -9.911 1.803 -0.709 1.00 0.00 C ATOM 1181 C ILE A 79 -9.559 2.374 0.662 1.00 0.00 C ATOM 1182 O ILE A 79 -8.566 3.083 0.813 1.00 0.00 O ATOM 1183 CB ILE A 79 -8.845 0.767 -1.114 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.240 0.079 -2.423 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -8.652 -0.257 -0.007 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.571 0.662 -3.646 1.00 0.00 C ATOM 0 H ILE A 79 -9.231 3.493 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.881 1.309 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.899 1.285 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.992 -0.980 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.321 0.146 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.896 -0.981 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.328 0.248 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.594 -0.773 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.901 0.122 -4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.839 1.714 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.489 0.571 -3.547 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.383 2.056 1.656 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.110 2.461 3.030 1.00 0.00 C ATOM 1200 C GLU A 80 -9.817 1.248 3.908 1.00 0.00 C ATOM 1201 O GLU A 80 -10.566 0.271 3.905 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.288 3.254 3.601 1.00 0.00 C ATOM 1203 CG GLU A 80 -11.006 3.927 4.936 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.196 4.711 5.415 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -13.195 4.108 5.726 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -12.072 5.902 5.578 1.00 0.00 O ATOM 0 H GLU A 80 -11.243 1.521 1.536 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.228 3.101 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.581 4.016 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.139 2.583 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.743 3.173 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.147 4.590 4.837 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.722 1.317 4.656 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.195 0.149 5.351 1.00 0.00 C ATOM 1215 C TYR A 81 -7.796 0.500 6.781 1.00 0.00 C ATOM 1216 O TYR A 81 -7.227 1.561 7.036 1.00 0.00 O ATOM 1217 CB TYR A 81 -6.997 -0.431 4.596 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.331 -1.592 5.300 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.941 -2.836 5.357 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.092 -1.439 5.905 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -6.337 -3.899 6.001 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.478 -2.496 6.550 1.00 0.00 C ATOM 1223 CZ TYR A 81 -5.104 -3.725 6.596 1.00 0.00 C ATOM 1224 OH TYR A 81 -4.498 -4.780 7.236 1.00 0.00 O ATOM 0 H TYR A 81 -8.181 2.170 4.797 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.983 -0.603 5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.326 -0.758 3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -6.261 0.358 4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.905 -2.976 4.890 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.599 -0.479 5.871 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.827 -4.861 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.513 -2.361 7.016 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.535 -4.612 7.304 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.099 -0.400 7.710 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.857 -0.149 9.126 1.00 0.00 C ATOM 1236 C ALA A 82 -6.912 -1.191 9.715 1.00 0.00 C ATOM 1237 O ALA A 82 -7.061 -2.388 9.470 1.00 0.00 O ATOM 1238 CB ALA A 82 -9.172 -0.134 9.891 1.00 0.00 C ATOM 0 H ALA A 82 -8.513 -1.310 7.508 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.383 0.828 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.977 0.054 10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.814 0.652 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.668 -1.098 9.780 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.938 -0.727 10.491 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.952 -1.617 11.093 1.00 0.00 C ATOM 1246 C PHE A 83 -4.511 -1.095 12.457 1.00 0.00 C ATOM 1247 O PHE A 83 -4.189 0.083 12.610 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.742 -1.779 10.172 1.00 0.00 C ATOM 1249 CG PHE A 83 -3.062 -0.484 9.832 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -3.488 0.279 8.754 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.995 -0.024 10.588 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -2.862 1.470 8.439 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -1.368 1.167 10.277 1.00 0.00 C ATOM 1254 CZ PHE A 83 -1.802 1.915 9.202 1.00 0.00 C ATOM 0 H PHE A 83 -5.810 0.259 10.718 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.418 -2.593 11.232 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.021 -2.443 10.648 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.061 -2.264 9.250 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.319 -0.062 8.154 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.649 -0.604 11.431 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.202 2.052 7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.538 1.513 10.875 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.313 2.847 8.958 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.499 -1.982 13.449 1.00 0.00 N ATOM 1265 CA GLY A 84 -4.105 -1.590 14.790 1.00 0.00 C ATOM 1266 C GLY A 84 -4.965 -0.470 15.343 1.00 0.00 C ATOM 1267 O GLY A 84 -6.185 -0.608 15.444 1.00 0.00 O ATOM 0 H GLY A 84 -4.755 -2.964 13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.169 -2.454 15.451 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.062 -1.273 14.781 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.330 0.639 15.704 1.00 0.00 N ATOM 1272 CA ASP A 85 -5.054 1.839 16.104 1.00 0.00 C ATOM 1273 C ASP A 85 -4.831 2.968 15.102 1.00 0.00 C ATOM 1274 O ASP A 85 -4.961 4.145 15.440 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.628 2.283 17.506 1.00 0.00 C ATOM 1276 CG ASP A 85 -3.145 2.606 17.638 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -2.423 2.390 16.693 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -2.774 3.207 18.618 1.00 0.00 O ATOM 0 H ASP A 85 -3.315 0.732 15.728 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.117 1.601 16.122 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.206 3.163 17.787 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.881 1.496 18.216 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.494 2.601 13.871 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.313 3.579 12.804 1.00 0.00 C ATOM 1285 C ARG A 86 -5.062 3.156 11.545 1.00 0.00 C ATOM 1286 O ARG A 86 -5.451 1.996 11.399 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.844 3.853 12.516 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.071 4.472 13.669 1.00 0.00 C ATOM 1289 CD ARG A 86 -2.457 5.871 13.985 1.00 0.00 C ATOM 1290 NE ARG A 86 -1.662 6.496 15.028 1.00 0.00 N ATOM 1291 CZ ARG A 86 -1.905 6.380 16.348 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -2.939 5.699 16.789 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -1.089 6.992 17.189 1.00 0.00 N ATOM 0 H ARG A 86 -4.341 1.634 13.587 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.742 4.519 13.151 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.363 2.916 12.236 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.775 4.516 11.654 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.215 3.858 14.558 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.007 4.446 13.433 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.378 6.470 13.078 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.504 5.886 14.286 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.864 7.062 14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.572 5.248 16.128 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.108 5.621 17.792 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.301 7.533 16.833 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.247 6.923 18.194 1.00 0.00 H new ATOM 1307 N THR A 87 -5.263 4.104 10.634 1.00 0.00 N ATOM 1308 CA THR A 87 -5.975 3.831 9.392 1.00 0.00 C ATOM 1309 C THR A 87 -5.221 4.398 8.193 1.00 0.00 C ATOM 1310 O THR A 87 -4.378 5.283 8.339 1.00 0.00 O ATOM 1311 CB THR A 87 -7.399 4.416 9.416 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.330 5.843 9.534 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.187 3.851 10.587 1.00 0.00 C ATOM 0 H THR A 87 -4.943 5.067 10.734 1.00 0.00 H new ATOM 0 HA THR A 87 -6.042 2.747 9.297 1.00 0.00 H new ATOM 0 HB THR A 87 -7.903 4.146 8.488 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.237 6.214 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.191 4.275 10.588 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.251 2.767 10.493 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.684 4.105 11.520 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.532 3.882 7.008 1.00 0.00 N ATOM 1322 CA ALA A 88 -4.962 4.407 5.773 1.00 0.00 C ATOM 1323 C ALA A 88 -5.939 4.259 4.611 1.00 0.00 C ATOM 1324 O ALA A 88 -6.790 3.370 4.612 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.649 3.706 5.456 1.00 0.00 C ATOM 0 H ALA A 88 -6.175 3.101 6.877 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.767 5.470 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.236 4.109 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.943 3.870 6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.826 2.637 5.339 1.00 0.00 H new ATOM 1331 N LYS A 89 -5.810 5.135 3.621 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.692 5.112 2.461 1.00 0.00 C ATOM 1333 C LYS A 89 -5.890 5.189 1.166 1.00 0.00 C ATOM 1334 O LYS A 89 -5.026 6.052 1.008 1.00 0.00 O ATOM 1335 CB LYS A 89 -7.697 6.263 2.528 1.00 0.00 C ATOM 1336 CG LYS A 89 -8.760 6.235 1.437 1.00 0.00 C ATOM 1337 CD LYS A 89 -9.771 7.356 1.620 1.00 0.00 C ATOM 1338 CE LYS A 89 -10.849 7.313 0.548 1.00 0.00 C ATOM 1339 NZ LYS A 89 -11.887 8.358 0.757 1.00 0.00 N ATOM 0 H LYS A 89 -5.103 5.870 3.599 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.238 4.169 2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.190 6.242 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.155 7.207 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.284 6.328 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.273 5.274 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.232 7.275 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.260 8.318 1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.391 7.448 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.320 6.330 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.602 8.293 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.343 8.215 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.443 9.298 0.732 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.181 4.280 0.240 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.513 4.268 -1.057 1.00 0.00 C ATOM 1355 C VAL A 90 -6.441 4.768 -2.158 1.00 0.00 C ATOM 1356 O VAL A 90 -7.557 4.274 -2.313 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.012 2.858 -1.422 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.304 2.877 -2.768 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.084 2.326 -0.341 1.00 0.00 C ATOM 0 H VAL A 90 -6.875 3.543 0.364 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.656 4.937 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.874 2.194 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.956 1.873 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.996 3.217 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.451 3.555 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.740 1.329 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.226 2.991 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.620 2.277 0.607 1.00 0.00 H new ATOM 1369 N GLU A 91 -5.971 5.750 -2.920 1.00 0.00 N ATOM 1370 CA GLU A 91 -6.777 6.347 -3.979 1.00 0.00 C ATOM 1371 C GLU A 91 -6.046 6.289 -5.317 1.00 0.00 C ATOM 1372 O GLU A 91 -4.826 6.440 -5.378 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.132 7.795 -3.632 1.00 0.00 C ATOM 1374 CG GLU A 91 -7.898 7.960 -2.328 1.00 0.00 C ATOM 1375 CD GLU A 91 -8.270 9.397 -2.091 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -7.945 10.218 -2.914 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -8.976 9.659 -1.145 1.00 0.00 O ATOM 0 H GLU A 91 -5.037 6.149 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.699 5.772 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.213 8.378 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.726 8.215 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.800 7.348 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.291 7.598 -1.499 1.00 0.00 H new ATOM 1384 N PHE A 92 -6.802 6.066 -6.387 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.229 6.004 -7.727 1.00 0.00 C ATOM 1386 C PHE A 92 -6.803 7.104 -8.615 1.00 0.00 C ATOM 1387 O PHE A 92 -8.018 7.294 -8.683 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.483 4.632 -8.353 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.758 3.509 -7.668 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -4.473 3.156 -8.051 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -6.360 2.803 -6.636 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -3.805 2.123 -7.422 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -5.694 1.770 -6.004 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.417 1.430 -6.397 1.00 0.00 C ATOM 0 H PHE A 92 -7.812 5.925 -6.353 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.153 6.158 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.553 4.427 -8.333 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.183 4.660 -9.401 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.988 3.695 -8.851 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.360 3.064 -6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.805 1.858 -7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.174 1.229 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.896 0.623 -5.904 1.00 0.00 H new ATOM 1404 N LEU A 93 -5.919 7.829 -9.293 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.336 8.802 -10.297 1.00 0.00 C ATOM 1406 C LEU A 93 -5.785 8.437 -11.671 1.00 0.00 C ATOM 1407 O LEU A 93 -4.577 8.283 -11.845 1.00 0.00 O ATOM 1408 CB LEU A 93 -5.880 10.210 -9.895 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.156 11.307 -10.932 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -7.658 11.492 -11.107 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.501 12.605 -10.486 1.00 0.00 C ATOM 0 H LEU A 93 -4.909 7.761 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.424 8.788 -10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.374 10.482 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.809 10.184 -9.693 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.734 11.014 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.845 12.272 -11.845 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.103 10.557 -11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.103 11.779 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.697 13.384 -11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.910 12.906 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.425 12.456 -10.393 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.680 8.300 -12.645 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.283 7.951 -14.004 1.00 0.00 C ATOM 1425 C GLU A 94 -5.872 9.194 -14.786 1.00 0.00 C ATOM 1426 O GLU A 94 -6.656 10.129 -14.946 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.419 7.224 -14.726 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.078 6.768 -16.136 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.241 6.063 -16.779 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.266 5.954 -16.151 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.143 5.734 -17.938 1.00 0.00 O ATOM 0 H GLU A 94 -7.684 8.425 -12.518 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.424 7.283 -13.943 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.710 6.354 -14.137 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.286 7.884 -14.770 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.793 7.629 -16.740 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.217 6.101 -16.106 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.635 9.197 -15.275 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.135 10.300 -16.086 1.00 0.00 C ATOM 1440 C ALA A 95 -3.856 9.847 -17.515 1.00 0.00 C ATOM 1441 O ALA A 95 -3.678 8.662 -17.792 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.879 10.890 -15.462 1.00 0.00 C ATOM 0 H ALA A 95 -3.961 8.447 -15.123 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.905 11.071 -16.120 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.518 11.713 -16.079 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.108 11.260 -14.463 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.110 10.121 -15.396 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.816 10.812 -18.446 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.534 10.539 -19.857 1.00 0.00 C ATOM 1450 C PRO A 96 -2.103 10.066 -20.082 1.00 0.00 C ATOM 1451 O PRO A 96 -1.817 9.364 -21.052 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.805 11.878 -20.553 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.605 12.899 -19.484 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.100 12.252 -18.219 1.00 0.00 C ATOM 0 HA PRO A 96 -4.150 9.729 -20.248 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.122 12.037 -21.387 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.817 11.918 -20.957 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.555 13.178 -19.398 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.160 13.811 -19.703 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.579 12.632 -17.341 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.163 12.434 -18.062 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.207 10.452 -19.178 1.00 0.00 N ATOM 1463 CA GLN A 97 0.202 10.102 -19.300 1.00 0.00 C ATOM 1464 C GLN A 97 0.540 8.894 -18.433 1.00 0.00 C ATOM 1465 O GLN A 97 1.541 8.215 -18.659 1.00 0.00 O ATOM 1466 CB GLN A 97 1.086 11.288 -18.906 1.00 0.00 C ATOM 1467 CG GLN A 97 0.883 12.527 -19.761 1.00 0.00 C ATOM 1468 CD GLN A 97 1.156 12.268 -21.229 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.177 11.677 -21.592 1.00 0.00 O ATOM 1470 NE2 GLN A 97 0.243 12.712 -22.087 1.00 0.00 N ATOM 0 H GLN A 97 -1.433 11.008 -18.353 1.00 0.00 H new ATOM 0 HA GLN A 97 0.394 9.847 -20.342 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.890 11.543 -17.865 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.131 10.984 -18.968 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.140 12.883 -19.642 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.540 13.321 -19.407 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.587 13.196 -21.744 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.372 12.569 -23.089 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.304 8.630 -17.439 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.030 7.559 -16.499 1.00 0.00 C ATOM 1481 C GLY A 98 -1.115 7.419 -15.449 1.00 0.00 C ATOM 1482 O GLY A 98 -2.170 8.044 -15.548 1.00 0.00 O ATOM 0 H GLY A 98 -1.172 9.139 -17.269 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.069 6.619 -17.042 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.925 7.746 -16.008 1.00 0.00 H new ATOM 1486 N VAL A 99 -0.855 6.593 -14.439 1.00 0.00 N ATOM 1487 CA VAL A 99 -1.782 6.433 -13.326 1.00 0.00 C ATOM 1488 C VAL A 99 -1.145 6.878 -12.012 1.00 0.00 C ATOM 1489 O VAL A 99 -0.052 6.435 -11.658 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.255 4.975 -13.189 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.239 4.838 -12.037 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -2.888 4.495 -14.487 1.00 0.00 C ATOM 0 H VAL A 99 -0.010 6.025 -14.370 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.644 7.064 -13.541 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.386 4.352 -12.977 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.562 3.800 -11.956 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.756 5.141 -11.108 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.105 5.474 -12.220 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.216 3.462 -14.371 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.745 5.124 -14.728 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.156 4.555 -15.293 1.00 0.00 H new ATOM 1502 N THR A 100 -1.836 7.757 -11.294 1.00 0.00 N ATOM 1503 CA THR A 100 -1.305 8.318 -10.059 1.00 0.00 C ATOM 1504 C THR A 100 -1.865 7.594 -8.839 1.00 0.00 C ATOM 1505 O THR A 100 -3.080 7.492 -8.671 1.00 0.00 O ATOM 1506 CB THR A 100 -1.618 9.822 -9.941 1.00 0.00 C ATOM 1507 OG1 THR A 100 -0.968 10.532 -11.003 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.135 10.364 -8.605 1.00 0.00 C ATOM 0 H THR A 100 -2.764 8.096 -11.547 1.00 0.00 H new ATOM 0 HA THR A 100 -0.224 8.183 -10.092 1.00 0.00 H new ATOM 0 HB THR A 100 -2.697 9.960 -10.009 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.003 10.495 -10.875 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.365 11.428 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.636 9.834 -7.795 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.058 10.220 -8.522 1.00 0.00 H new ATOM 1516 N VAL A 101 -0.972 7.095 -7.990 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.379 6.362 -6.797 1.00 0.00 C ATOM 1518 C VAL A 101 -1.077 7.161 -5.534 1.00 0.00 C ATOM 1519 O VAL A 101 0.075 7.502 -5.263 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.678 4.994 -6.708 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.160 4.227 -5.486 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -0.925 4.185 -7.973 1.00 0.00 C ATOM 0 H VAL A 101 0.037 7.185 -8.106 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.454 6.203 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 101 0.394 5.163 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.654 3.263 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.936 4.799 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.236 4.069 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.422 3.221 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.996 4.026 -8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.534 4.727 -8.834 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.119 7.456 -4.765 1.00 0.00 N ATOM 1533 CA ARG A 102 -1.977 8.273 -3.566 1.00 0.00 C ATOM 1534 C ARG A 102 -2.413 7.500 -2.324 1.00 0.00 C ATOM 1535 O ARG A 102 -3.520 6.964 -2.273 1.00 0.00 O ATOM 1536 CB ARG A 102 -2.710 9.602 -3.685 1.00 0.00 C ATOM 1537 CG ARG A 102 -2.562 10.524 -2.485 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.258 11.829 -2.626 1.00 0.00 C ATOM 1539 NE ARG A 102 -2.697 12.703 -3.644 1.00 0.00 N ATOM 1540 CZ ARG A 102 -3.318 13.788 -4.148 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -4.531 14.114 -3.760 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -2.683 14.503 -5.060 1.00 0.00 N ATOM 0 H ARG A 102 -3.071 7.141 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.919 8.510 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.347 10.122 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.770 9.403 -3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.946 10.015 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.502 10.708 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.306 11.644 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.233 12.346 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.768 12.479 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.016 13.543 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.987 14.938 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.749 14.228 -5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.127 15.330 -5.460 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.536 7.446 -1.328 1.00 0.00 N ATOM 1557 CA VAL A 103 -1.836 6.749 -0.083 1.00 0.00 C ATOM 1558 C VAL A 103 -1.701 7.682 1.116 1.00 0.00 C ATOM 1559 O VAL A 103 -0.642 8.267 1.345 1.00 0.00 O ATOM 1560 CB VAL A 103 -0.914 5.532 0.119 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.271 4.800 1.405 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.006 4.590 -1.071 1.00 0.00 C ATOM 0 H VAL A 103 -0.612 7.876 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.867 6.403 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 103 0.113 5.888 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.609 3.943 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.156 5.476 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.304 4.456 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.348 3.736 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.033 4.241 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.703 5.117 -1.976 1.00 0.00 H new ATOM 1572 N SER A 104 -2.783 7.819 1.877 1.00 0.00 N ATOM 1573 CA SER A 104 -2.793 8.702 3.037 1.00 0.00 C ATOM 1574 C SER A 104 -3.152 7.930 4.304 1.00 0.00 C ATOM 1575 O SER A 104 -4.114 7.162 4.325 1.00 0.00 O ATOM 1576 CB SER A 104 -3.766 9.844 2.817 1.00 0.00 C ATOM 1577 OG SER A 104 -3.750 10.761 3.876 1.00 0.00 O ATOM 0 H SER A 104 -3.663 7.330 1.711 1.00 0.00 H new ATOM 0 HA SER A 104 -1.792 9.114 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.517 10.358 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.773 9.444 2.699 1.00 0.00 H new ATOM 0 HG SER A 104 -3.161 11.511 3.650 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.371 8.140 5.358 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.497 7.344 6.575 1.00 0.00 C ATOM 1585 C PHE A 105 -2.321 8.215 7.815 1.00 0.00 C ATOM 1586 O PHE A 105 -1.759 9.307 7.745 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.477 6.206 6.577 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.051 6.669 6.670 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.636 7.078 5.538 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.605 6.699 7.892 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.948 7.504 5.622 1.00 0.00 C ATOM 1592 CE2 PHE A 105 1.917 7.126 7.979 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.588 7.528 6.844 1.00 0.00 C ATOM 0 H PHE A 105 -1.644 8.854 5.395 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.499 6.916 6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.689 5.542 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.600 5.619 5.667 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.140 7.064 4.579 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.085 6.385 8.785 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.472 7.818 4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.416 7.145 8.936 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.613 7.861 6.911 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.805 7.721 8.951 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.692 8.449 10.209 1.00 0.00 C ATOM 1605 C VAL A 106 -1.328 8.227 10.852 1.00 0.00 C ATOM 1606 O VAL A 106 -0.857 7.095 10.958 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.792 8.032 11.203 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -3.638 8.786 12.516 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -5.169 8.278 10.609 1.00 0.00 C ATOM 0 H VAL A 106 -3.278 6.821 9.025 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.811 9.506 9.973 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.688 6.965 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.424 8.479 13.206 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -2.664 8.563 12.952 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.716 9.857 12.332 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.933 7.977 11.326 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.283 9.338 10.380 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.280 7.696 9.694 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.698 9.316 11.280 1.00 0.00 N ATOM 1620 CA ALA A 107 0.661 9.256 11.802 1.00 0.00 C ATOM 1621 C ALA A 107 0.714 8.470 13.109 1.00 0.00 C ATOM 1622 O ALA A 107 -0.167 8.602 13.958 1.00 0.00 O ATOM 1623 CB ALA A 107 1.210 10.660 12.008 1.00 0.00 C ATOM 0 H ALA A 107 -1.107 10.250 11.275 1.00 0.00 H new ATOM 0 HA ALA A 107 1.281 8.738 11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.226 10.600 12.398 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.218 11.191 11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.580 11.197 12.717 1.00 0.00 H new ATOM 1629 N GLU A 108 1.751 7.653 13.262 1.00 0.00 N ATOM 1630 CA GLU A 108 2.012 6.980 14.528 1.00 0.00 C ATOM 1631 C GLU A 108 2.829 7.871 15.459 1.00 0.00 C ATOM 1632 O GLU A 108 3.931 8.302 15.117 1.00 0.00 O ATOM 1633 CB GLU A 108 2.740 5.654 14.291 1.00 0.00 C ATOM 1634 CG GLU A 108 3.003 4.848 15.555 1.00 0.00 C ATOM 1635 CD GLU A 108 1.721 4.495 16.256 1.00 0.00 C ATOM 1636 OE1 GLU A 108 0.867 3.909 15.633 1.00 0.00 O ATOM 1637 OE2 GLU A 108 1.636 4.709 17.442 1.00 0.00 O ATOM 0 H GLU A 108 2.424 7.441 12.525 1.00 0.00 H new ATOM 0 HA GLU A 108 1.054 6.773 15.004 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.150 5.047 13.604 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.691 5.858 13.800 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.544 3.936 15.301 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.642 5.421 16.227 1.00 0.00 H new ATOM 1644 N THR A 109 2.280 8.144 16.640 1.00 0.00 N ATOM 1645 CA THR A 109 2.883 9.100 17.560 1.00 0.00 C ATOM 1646 C THR A 109 4.200 8.572 18.116 1.00 0.00 C ATOM 1647 O THR A 109 5.030 9.340 18.602 1.00 0.00 O ATOM 1648 CB THR A 109 1.937 9.431 18.730 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.622 8.230 19.447 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.652 10.062 18.215 1.00 0.00 C ATOM 0 H THR A 109 1.419 7.716 16.981 1.00 0.00 H new ATOM 0 HA THR A 109 3.072 10.010 16.990 1.00 0.00 H new ATOM 0 HB THR A 109 2.436 10.138 19.393 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.022 8.442 20.192 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.004 10.289 19.055 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.887 10.982 17.680 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.151 9.368 17.541 1.00 0.00 H new ATOM 1658 N GLU A 110 4.383 7.258 18.044 1.00 0.00 N ATOM 1659 CA GLU A 110 5.602 6.628 18.540 1.00 0.00 C ATOM 1660 C GLU A 110 6.779 6.916 17.612 1.00 0.00 C ATOM 1661 O GLU A 110 7.938 6.749 17.991 1.00 0.00 O ATOM 1662 CB GLU A 110 5.404 5.118 18.690 1.00 0.00 C ATOM 1663 CG GLU A 110 4.426 4.718 19.785 1.00 0.00 C ATOM 1664 CD GLU A 110 4.230 3.228 19.825 1.00 0.00 C ATOM 1665 OE1 GLU A 110 4.819 2.549 19.018 1.00 0.00 O ATOM 1666 OE2 GLU A 110 3.582 2.758 20.730 1.00 0.00 O ATOM 0 H GLU A 110 3.704 6.609 17.647 1.00 0.00 H new ATOM 0 HA GLU A 110 5.825 7.050 19.520 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.053 4.714 17.741 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.370 4.656 18.895 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.796 5.064 20.750 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.467 5.209 19.616 1.00 0.00 H new ATOM 1673 N TYR A 111 6.472 7.349 16.394 1.00 0.00 N ATOM 1674 CA TYR A 111 7.503 7.664 15.413 1.00 0.00 C ATOM 1675 C TYR A 111 7.329 9.080 14.873 1.00 0.00 C ATOM 1676 O TYR A 111 6.220 9.610 14.794 1.00 0.00 O ATOM 1677 CB TYR A 111 7.477 6.654 14.263 1.00 0.00 C ATOM 1678 CG TYR A 111 7.800 5.238 14.684 1.00 0.00 C ATOM 1679 CD1 TYR A 111 9.107 4.776 14.682 1.00 0.00 C ATOM 1680 CD2 TYR A 111 6.796 4.365 15.080 1.00 0.00 C ATOM 1681 CE1 TYR A 111 9.408 3.484 15.064 1.00 0.00 C ATOM 1682 CE2 TYR A 111 7.085 3.071 15.465 1.00 0.00 C ATOM 1683 CZ TYR A 111 8.395 2.633 15.455 1.00 0.00 C ATOM 1684 OH TYR A 111 8.689 1.344 15.837 1.00 0.00 O ATOM 0 H TYR A 111 5.518 7.490 16.063 1.00 0.00 H new ATOM 0 HA TYR A 111 8.470 7.604 15.912 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.490 6.669 13.801 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.190 6.968 13.501 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.903 5.438 14.376 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.771 4.704 15.087 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.432 3.141 15.057 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.292 2.405 15.772 1.00 0.00 H new ATOM 0 HH TYR A 111 7.862 0.879 16.083 1.00 0.00 H new ATOM 1694 N PRO A 112 8.449 9.710 14.492 1.00 0.00 N ATOM 1695 CA PRO A 112 8.444 11.061 13.924 1.00 0.00 C ATOM 1696 C PRO A 112 7.781 11.111 12.551 1.00 0.00 C ATOM 1697 O PRO A 112 7.852 10.154 11.781 1.00 0.00 O ATOM 1698 CB PRO A 112 9.929 11.435 13.851 1.00 0.00 C ATOM 1699 CG PRO A 112 10.638 10.127 13.775 1.00 0.00 C ATOM 1700 CD PRO A 112 9.828 9.184 14.625 1.00 0.00 C ATOM 0 HA PRO A 112 7.864 11.758 14.529 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.141 12.053 12.978 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.239 12.004 14.727 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.701 9.773 12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.659 10.212 14.146 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.903 8.156 14.270 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.163 9.188 15.662 1.00 0.00 H new ATOM 1708 N VAL A 113 7.133 12.234 12.253 1.00 0.00 N ATOM 1709 CA VAL A 113 6.411 12.387 10.997 1.00 0.00 C ATOM 1710 C VAL A 113 7.321 12.124 9.802 1.00 0.00 C ATOM 1711 O VAL A 113 6.912 11.501 8.823 1.00 0.00 O ATOM 1712 CB VAL A 113 5.800 13.795 10.865 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.250 14.008 9.463 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.707 14.001 11.901 1.00 0.00 C ATOM 0 H VAL A 113 7.094 13.049 12.864 1.00 0.00 H new ATOM 0 HA VAL A 113 5.607 11.651 11.005 1.00 0.00 H new ATOM 0 HB VAL A 113 6.586 14.529 11.043 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.822 15.008 9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.055 13.902 8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.477 13.267 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.287 15.001 11.793 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.922 13.260 11.754 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.128 13.890 12.901 1.00 0.00 H new ATOM 1724 N GLU A 114 8.558 12.602 9.891 1.00 0.00 N ATOM 1725 CA GLU A 114 9.506 12.477 8.791 1.00 0.00 C ATOM 1726 C GLU A 114 9.777 11.009 8.470 1.00 0.00 C ATOM 1727 O GLU A 114 9.832 10.618 7.305 1.00 0.00 O ATOM 1728 CB GLU A 114 10.816 13.193 9.127 1.00 0.00 C ATOM 1729 CG GLU A 114 10.712 14.712 9.154 1.00 0.00 C ATOM 1730 CD GLU A 114 11.998 15.340 9.617 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.894 14.615 9.976 1.00 0.00 O ATOM 1732 OE2 GLU A 114 12.124 16.536 9.509 1.00 0.00 O ATOM 0 H GLU A 114 8.927 13.079 10.714 1.00 0.00 H new ATOM 0 HA GLU A 114 9.065 12.946 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.166 12.847 10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.571 12.905 8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.463 15.079 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.900 15.011 9.816 1.00 0.00 H new ATOM 1739 N GLN A 115 9.945 10.202 9.513 1.00 0.00 N ATOM 1740 CA GLN A 115 10.263 8.789 9.343 1.00 0.00 C ATOM 1741 C GLN A 115 9.096 8.042 8.705 1.00 0.00 C ATOM 1742 O GLN A 115 9.292 7.188 7.840 1.00 0.00 O ATOM 1743 CB GLN A 115 10.614 8.151 10.690 1.00 0.00 C ATOM 1744 CG GLN A 115 11.029 6.693 10.598 1.00 0.00 C ATOM 1745 CD GLN A 115 12.300 6.502 9.792 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.283 7.224 9.978 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.286 5.530 8.887 1.00 0.00 N ATOM 0 H GLN A 115 9.866 10.503 10.485 1.00 0.00 H new ATOM 0 HA GLN A 115 11.126 8.717 8.681 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.423 8.719 11.149 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.752 8.231 11.353 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.176 6.296 11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.223 6.117 10.143 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.451 4.957 8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.110 5.357 8.312 1.00 0.00 H new ATOM 1756 N GLN A 116 7.882 8.368 9.140 1.00 0.00 N ATOM 1757 CA GLN A 116 6.686 7.712 8.626 1.00 0.00 C ATOM 1758 C GLN A 116 6.405 8.139 7.189 1.00 0.00 C ATOM 1759 O GLN A 116 6.050 7.315 6.346 1.00 0.00 O ATOM 1760 CB GLN A 116 5.477 8.032 9.508 1.00 0.00 C ATOM 1761 CG GLN A 116 5.531 7.404 10.890 1.00 0.00 C ATOM 1762 CD GLN A 116 5.479 5.888 10.840 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.503 5.302 10.364 1.00 0.00 O ATOM 1764 NE2 GLN A 116 6.530 5.245 11.334 1.00 0.00 N ATOM 0 H GLN A 116 7.702 9.082 9.846 1.00 0.00 H new ATOM 0 HA GLN A 116 6.862 6.636 8.641 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.396 9.114 9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.573 7.693 9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.446 7.717 11.393 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.697 7.774 11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.315 5.771 11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.552 4.225 11.330 1.00 0.00 H new ATOM 1773 N GLN A 117 6.568 9.429 6.919 1.00 0.00 N ATOM 1774 CA GLN A 117 6.346 9.962 5.578 1.00 0.00 C ATOM 1775 C GLN A 117 7.328 9.354 4.582 1.00 0.00 C ATOM 1776 O GLN A 117 6.931 8.865 3.526 1.00 0.00 O ATOM 1777 CB GLN A 117 6.481 11.486 5.576 1.00 0.00 C ATOM 1778 CG GLN A 117 6.250 12.131 4.220 1.00 0.00 C ATOM 1779 CD GLN A 117 6.405 13.639 4.261 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.759 14.213 5.296 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.136 14.292 3.137 1.00 0.00 N ATOM 0 H GLN A 117 6.852 10.125 7.608 1.00 0.00 H new ATOM 0 HA GLN A 117 5.333 9.696 5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.771 11.903 6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.478 11.751 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.954 11.716 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.249 11.881 3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.847 13.778 2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.219 15.308 3.105 1.00 0.00 H new ATOM 1790 N GLN A 118 8.611 9.391 4.926 1.00 0.00 N ATOM 1791 CA GLN A 118 9.651 8.861 4.052 1.00 0.00 C ATOM 1792 C GLN A 118 9.520 7.347 3.907 1.00 0.00 C ATOM 1793 O GLN A 118 9.756 6.794 2.834 1.00 0.00 O ATOM 1794 CB GLN A 118 11.039 9.212 4.593 1.00 0.00 C ATOM 1795 CG GLN A 118 11.411 10.677 4.450 1.00 0.00 C ATOM 1796 CD GLN A 118 12.747 11.002 5.091 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.383 10.139 5.702 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.177 12.252 4.959 1.00 0.00 N ATOM 0 H GLN A 118 8.955 9.782 5.803 1.00 0.00 H new ATOM 0 HA GLN A 118 9.528 9.318 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.086 8.938 5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.783 8.608 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.446 10.938 3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.634 11.292 4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.617 12.932 4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.067 12.531 5.372 1.00 0.00 H new ATOM 1807 N GLY A 119 9.143 6.683 4.996 1.00 0.00 N ATOM 1808 CA GLY A 119 9.013 5.239 4.976 1.00 0.00 C ATOM 1809 C GLY A 119 7.942 4.767 4.011 1.00 0.00 C ATOM 1810 O GLY A 119 8.167 3.845 3.227 1.00 0.00 O ATOM 0 H GLY A 119 8.925 7.120 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.969 4.795 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.776 4.885 5.979 1.00 0.00 H new ATOM 1814 N TRP A 120 6.775 5.398 4.071 1.00 0.00 N ATOM 1815 CA TRP A 120 5.668 5.043 3.189 1.00 0.00 C ATOM 1816 C TRP A 120 5.989 5.399 1.742 1.00 0.00 C ATOM 1817 O TRP A 120 5.650 4.656 0.822 1.00 0.00 O ATOM 1818 CB TRP A 120 4.389 5.756 3.632 1.00 0.00 C ATOM 1819 CG TRP A 120 3.410 4.849 4.313 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.208 4.423 3.823 1.00 0.00 C ATOM 1821 CD2 TRP A 120 3.547 4.261 5.611 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.591 3.604 4.737 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.392 3.488 5.842 1.00 0.00 C ATOM 1824 CE3 TRP A 120 4.533 4.308 6.599 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 2.198 2.773 7.021 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 4.340 3.598 7.769 1.00 0.00 C ATOM 1827 CH2 TRP A 120 3.180 2.838 7.970 1.00 0.00 C ATOM 0 H TRP A 120 6.570 6.157 4.720 1.00 0.00 H new ATOM 0 HA TRP A 120 5.516 3.966 3.252 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.651 6.570 4.308 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.912 6.206 2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.802 4.691 2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.684 3.155 4.613 1.00 0.00 H new ATOM 0 HE3 TRP A 120 5.431 4.889 6.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 1.304 2.188 7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.095 3.629 8.540 1.00 0.00 H new ATOM 0 HH2 TRP A 120 3.059 2.292 8.894 1.00 0.00 H new ATOM 1838 N GLN A 121 6.645 6.538 1.549 1.00 0.00 N ATOM 1839 CA GLN A 121 7.041 6.975 0.215 1.00 0.00 C ATOM 1840 C GLN A 121 8.107 6.053 -0.366 1.00 0.00 C ATOM 1841 O GLN A 121 8.106 5.762 -1.563 1.00 0.00 O ATOM 1842 CB GLN A 121 7.564 8.414 0.254 1.00 0.00 C ATOM 1843 CG GLN A 121 7.865 9.002 -1.114 1.00 0.00 C ATOM 1844 CD GLN A 121 6.619 9.158 -1.964 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.641 9.784 -1.548 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.645 8.582 -3.162 1.00 0.00 N ATOM 0 H GLN A 121 6.914 7.175 2.299 1.00 0.00 H new ATOM 0 HA GLN A 121 6.160 6.935 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.828 9.043 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.471 8.443 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.342 9.975 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.578 8.361 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.476 8.074 -3.466 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.834 8.648 -3.777 1.00 0.00 H new ATOM 1855 N ALA A 122 9.017 5.595 0.488 1.00 0.00 N ATOM 1856 CA ALA A 122 10.125 4.756 0.049 1.00 0.00 C ATOM 1857 C ALA A 122 9.622 3.418 -0.482 1.00 0.00 C ATOM 1858 O ALA A 122 10.057 2.956 -1.537 1.00 0.00 O ATOM 1859 CB ALA A 122 11.107 4.537 1.190 1.00 0.00 C ATOM 0 H ALA A 122 9.008 5.791 1.489 1.00 0.00 H new ATOM 0 HA ALA A 122 10.638 5.271 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.929 3.909 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.499 5.498 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.597 4.047 2.020 1.00 0.00 H new ATOM 1865 N ILE A 123 8.704 2.800 0.255 1.00 0.00 N ATOM 1866 CA ILE A 123 8.114 1.535 -0.163 1.00 0.00 C ATOM 1867 C ILE A 123 7.164 1.734 -1.339 1.00 0.00 C ATOM 1868 O ILE A 123 7.019 0.854 -2.189 1.00 0.00 O ATOM 1869 CB ILE A 123 7.354 0.859 0.992 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.183 1.734 1.446 1.00 0.00 C ATOM 1871 CG2 ILE A 123 8.293 0.578 2.155 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.319 1.096 2.511 1.00 0.00 C ATOM 0 H ILE A 123 8.353 3.156 1.144 1.00 0.00 H new ATOM 0 HA ILE A 123 8.936 0.889 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 123 6.956 -0.091 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.573 2.678 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.562 1.971 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.739 0.100 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.094 -0.083 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.720 1.515 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.511 1.777 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.898 0.166 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.924 0.885 3.392 1.00 0.00 H new ATOM 1884 N LEU A 124 6.521 2.895 -1.384 1.00 0.00 N ATOM 1885 CA LEU A 124 5.709 3.277 -2.534 1.00 0.00 C ATOM 1886 C LEU A 124 6.580 3.509 -3.764 1.00 0.00 C ATOM 1887 O LEU A 124 6.159 3.255 -4.892 1.00 0.00 O ATOM 1888 CB LEU A 124 4.888 4.533 -2.213 1.00 0.00 C ATOM 1889 CG LEU A 124 3.840 4.915 -3.266 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.844 3.777 -3.449 1.00 0.00 C ATOM 1891 CD2 LEU A 124 3.130 6.190 -2.838 1.00 0.00 C ATOM 0 H LEU A 124 6.546 3.589 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 124 5.024 2.458 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.383 4.383 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 124 5.572 5.372 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 124 4.333 5.093 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.104 4.058 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.371 2.881 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.343 3.576 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.386 6.461 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.638 6.028 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 124 3.857 6.996 -2.741 1.00 0.00 H new ATOM 1903 N ASN A 125 7.797 3.993 -3.538 1.00 0.00 N ATOM 1904 CA ASN A 125 8.761 4.174 -4.618 1.00 0.00 C ATOM 1905 C ASN A 125 9.168 2.831 -5.216 1.00 0.00 C ATOM 1906 O ASN A 125 9.371 2.712 -6.423 1.00 0.00 O ATOM 1907 CB ASN A 125 9.987 4.934 -4.148 1.00 0.00 C ATOM 1908 CG ASN A 125 9.738 6.398 -3.914 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.740 6.962 -4.380 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.680 7.035 -3.264 1.00 0.00 N ATOM 0 H ASN A 125 8.139 4.267 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 125 8.274 4.766 -5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.350 4.484 -3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.778 4.823 -4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.610 8.043 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.483 6.523 -2.899 1.00 0.00 H new ATOM 1917 N ASN A 126 9.285 1.820 -4.360 1.00 0.00 N ATOM 1918 CA ASN A 126 9.490 0.451 -4.819 1.00 0.00 C ATOM 1919 C ASN A 126 8.276 -0.052 -5.594 1.00 0.00 C ATOM 1920 O ASN A 126 8.413 -0.750 -6.599 1.00 0.00 O ATOM 1921 CB ASN A 126 9.801 -0.483 -3.663 1.00 0.00 C ATOM 1922 CG ASN A 126 11.178 -0.298 -3.090 1.00 0.00 C ATOM 1923 OD1 ASN A 126 12.023 0.398 -3.664 1.00 0.00 O ATOM 1924 ND2 ASN A 126 11.435 -0.982 -2.004 1.00 0.00 N ATOM 0 H ASN A 126 9.241 1.923 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 126 10.351 0.458 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.065 -0.328 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.693 -1.514 -4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.368 -0.955 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.702 -1.542 -1.568 1.00 0.00 H new ATOM 1931 N PHE A 127 7.088 0.309 -5.121 1.00 0.00 N ATOM 1932 CA PHE A 127 5.857 0.030 -5.850 1.00 0.00 C ATOM 1933 C PHE A 127 5.894 0.663 -7.240 1.00 0.00 C ATOM 1934 O PHE A 127 5.488 0.047 -8.226 1.00 0.00 O ATOM 1935 CB PHE A 127 4.644 0.539 -5.070 1.00 0.00 C ATOM 1936 CG PHE A 127 3.331 0.281 -5.753 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.685 -0.938 -5.608 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.740 1.255 -6.544 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.477 -1.176 -6.236 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.532 1.020 -7.171 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.901 -0.197 -7.018 1.00 0.00 C ATOM 0 H PHE A 127 6.952 0.796 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 127 5.770 -1.050 -5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.631 0.066 -4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.753 1.611 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.131 -1.709 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.230 2.209 -6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.984 -2.129 -6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.082 1.789 -7.781 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.042 -0.383 -7.510 1.00 0.00 H new ATOM 1951 N LYS A 128 6.382 1.895 -7.309 1.00 0.00 N ATOM 1952 CA LYS A 128 6.509 2.599 -8.580 1.00 0.00 C ATOM 1953 C LYS A 128 7.392 1.819 -9.549 1.00 0.00 C ATOM 1954 O LYS A 128 6.992 1.538 -10.678 1.00 0.00 O ATOM 1955 CB LYS A 128 7.075 4.003 -8.363 1.00 0.00 C ATOM 1956 CG LYS A 128 7.274 4.807 -9.642 1.00 0.00 C ATOM 1957 CD LYS A 128 8.050 6.087 -9.376 1.00 0.00 C ATOM 1958 CE LYS A 128 8.076 6.984 -10.605 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.097 6.543 -11.595 1.00 0.00 N ATOM 0 H LYS A 128 6.697 2.429 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 128 5.514 2.687 -9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.405 4.554 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.032 3.920 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.807 4.202 -10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.304 5.051 -10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.597 6.623 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 128 9.070 5.842 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.092 6.985 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.285 8.010 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.226 7.284 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.000 6.371 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.779 5.666 -12.055 1.00 0.00 H new ATOM 1973 N ARG A 129 8.593 1.473 -9.099 1.00 0.00 N ATOM 1974 CA ARG A 129 9.581 0.841 -9.965 1.00 0.00 C ATOM 1975 C ARG A 129 9.112 -0.542 -10.408 1.00 0.00 C ATOM 1976 O ARG A 129 9.375 -0.968 -11.533 1.00 0.00 O ATOM 1977 CB ARG A 129 10.959 0.785 -9.322 1.00 0.00 C ATOM 1978 CG ARG A 129 11.678 2.123 -9.233 1.00 0.00 C ATOM 1979 CD ARG A 129 13.038 2.048 -8.639 1.00 0.00 C ATOM 1980 NE ARG A 129 13.763 3.308 -8.636 1.00 0.00 N ATOM 1981 CZ ARG A 129 15.011 3.471 -8.154 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.659 2.470 -7.600 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.557 4.672 -8.229 1.00 0.00 N ATOM 0 H ARG A 129 8.906 1.620 -8.139 1.00 0.00 H new ATOM 0 HA ARG A 129 9.678 1.465 -10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.859 0.375 -8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.581 0.092 -9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.754 2.548 -10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.073 2.809 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.954 1.689 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.621 1.309 -9.189 1.00 0.00 H new ATOM 0 HE ARG A 129 13.294 4.126 -9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 129 15.218 1.553 -7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 129 16.603 2.610 -7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.035 5.444 -8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.500 4.827 -7.873 1.00 0.00 H new ATOM 1997 N HIS A 130 8.415 -1.238 -9.516 1.00 0.00 N ATOM 1998 CA HIS A 130 7.925 -2.581 -9.807 1.00 0.00 C ATOM 1999 C HIS A 130 6.825 -2.540 -10.863 1.00 0.00 C ATOM 2000 O HIS A 130 6.908 -3.217 -11.887 1.00 0.00 O ATOM 2001 CB HIS A 130 7.408 -3.258 -8.534 1.00 0.00 C ATOM 2002 CG HIS A 130 7.203 -4.734 -8.679 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.809 -5.537 -7.629 1.00 0.00 N ATOM 2004 CD2 HIS A 130 7.338 -5.552 -9.749 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.710 -6.787 -8.048 1.00 0.00 C ATOM 2006 NE2 HIS A 130 7.026 -6.822 -9.329 1.00 0.00 N ATOM 0 H HIS A 130 8.177 -0.895 -8.586 1.00 0.00 H new ATOM 0 HA HIS A 130 8.759 -3.164 -10.197 1.00 0.00 H new ATOM 0 HB2 HIS A 130 8.114 -3.076 -7.724 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.464 -2.796 -8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 130 7.635 -5.261 -10.746 1.00 0.00 H new ATOM 0 HE1 HIS A 130 6.420 -7.635 -7.445 1.00 0.00 H new ATOM 0 HE2 HIS A 130 7.037 -7.658 -9.913 1.00 0.00 H new ATOM 2013 N VAL A 131 5.792 -1.744 -10.603 1.00 0.00 N ATOM 2014 CA VAL A 131 4.630 -1.688 -11.483 1.00 0.00 C ATOM 2015 C VAL A 131 4.969 -1.002 -12.801 1.00 0.00 C ATOM 2016 O VAL A 131 4.554 -1.447 -13.869 1.00 0.00 O ATOM 2017 CB VAL A 131 3.452 -0.951 -10.818 1.00 0.00 C ATOM 2018 CG1 VAL A 131 2.324 -0.739 -11.817 1.00 0.00 C ATOM 2019 CG2 VAL A 131 2.953 -1.725 -9.608 1.00 0.00 C ATOM 0 H VAL A 131 5.736 -1.130 -9.791 1.00 0.00 H new ATOM 0 HA VAL A 131 4.335 -2.719 -11.680 1.00 0.00 H new ATOM 0 HB VAL A 131 3.803 0.025 -10.482 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.500 -0.217 -11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.687 -0.143 -12.654 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.976 -1.705 -12.183 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.121 -1.189 -9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.619 -2.714 -9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.761 -1.827 -8.883 1.00 0.00 H new ATOM 2029 N GLU A 132 5.728 0.087 -12.716 1.00 0.00 N ATOM 2030 CA GLU A 132 6.068 0.875 -13.896 1.00 0.00 C ATOM 2031 C GLU A 132 6.743 0.006 -14.953 1.00 0.00 C ATOM 2032 O GLU A 132 6.570 0.224 -16.152 1.00 0.00 O ATOM 2033 CB GLU A 132 6.976 2.047 -13.517 1.00 0.00 C ATOM 2034 CG GLU A 132 7.339 2.961 -14.678 1.00 0.00 C ATOM 2035 CD GLU A 132 8.208 4.102 -14.224 1.00 0.00 C ATOM 2036 OE1 GLU A 132 8.538 4.147 -13.064 1.00 0.00 O ATOM 2037 OE2 GLU A 132 8.635 4.866 -15.058 1.00 0.00 O ATOM 0 H GLU A 132 6.119 0.443 -11.844 1.00 0.00 H new ATOM 0 HA GLU A 132 5.143 1.271 -14.315 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.483 2.638 -12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.894 1.653 -13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 132 7.859 2.388 -15.446 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.429 3.353 -15.134 1.00 0.00 H new ATOM 2044 N SER A 133 7.512 -0.978 -14.499 1.00 0.00 N ATOM 2045 CA SER A 133 8.322 -1.792 -15.398 1.00 0.00 C ATOM 2046 C SER A 133 7.449 -2.768 -16.181 1.00 0.00 C ATOM 2047 O SER A 133 7.935 -3.493 -17.050 1.00 0.00 O ATOM 2048 CB SER A 133 9.384 -2.539 -14.616 1.00 0.00 C ATOM 2049 OG SER A 133 8.839 -3.577 -13.848 1.00 0.00 O ATOM 0 H SER A 133 7.591 -1.231 -13.514 1.00 0.00 H new ATOM 0 HA SER A 133 8.814 -1.130 -16.111 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.122 -2.948 -15.306 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.910 -1.843 -13.963 1.00 0.00 H new ATOM 0 HG SER A 133 8.180 -3.210 -13.223 1.00 0.00 H new ATOM 2055 N HIS A 134 6.158 -2.782 -15.866 1.00 0.00 N ATOM 2056 CA HIS A 134 5.224 -3.700 -16.510 1.00 0.00 C ATOM 2057 C HIS A 134 4.622 -3.072 -17.762 1.00 0.00 C ATOM 2058 O HIS A 134 3.721 -3.639 -18.383 1.00 0.00 O ATOM 2059 CB HIS A 134 4.111 -4.110 -15.541 1.00 0.00 C ATOM 2060 CG HIS A 134 4.605 -4.851 -14.337 1.00 0.00 C ATOM 2061 ND1 HIS A 134 3.862 -4.972 -13.182 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.767 -5.508 -14.109 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.546 -5.674 -12.294 1.00 0.00 C ATOM 2064 NE2 HIS A 134 5.703 -6.010 -12.832 1.00 0.00 N ATOM 0 H HIS A 134 5.734 -2.169 -15.169 1.00 0.00 H new ATOM 0 HA HIS A 134 5.779 -4.592 -16.801 1.00 0.00 H new ATOM 0 HB2 HIS A 134 3.579 -3.217 -15.214 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.391 -4.734 -16.071 1.00 0.00 H new ATOM 0 HD2 HIS A 134 6.589 -5.617 -14.801 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.214 -5.929 -11.298 1.00 0.00 H new ATOM 0 HE2 HIS A 134 6.433 -6.555 -12.373 1.00 0.00 H new ATOM 2071 N LEU A 135 5.123 -1.897 -18.130 1.00 0.00 N ATOM 2072 CA LEU A 135 4.713 -1.243 -19.368 1.00 0.00 C ATOM 2073 C LEU A 135 5.800 -0.299 -19.872 1.00 0.00 C ATOM 2074 O LEU A 135 6.257 0.580 -19.142 1.00 0.00 O ATOM 2075 CB LEU A 135 3.398 -0.482 -19.156 1.00 0.00 C ATOM 2076 CG LEU A 135 2.913 0.332 -20.362 1.00 0.00 C ATOM 2077 CD1 LEU A 135 2.524 -0.602 -21.500 1.00 0.00 C ATOM 2078 CD2 LEU A 135 1.734 1.200 -19.950 1.00 0.00 C ATOM 0 H LEU A 135 5.814 -1.378 -17.588 1.00 0.00 H new ATOM 0 HA LEU A 135 4.556 -2.012 -20.125 1.00 0.00 H new ATOM 0 HB2 LEU A 135 2.622 -1.198 -18.885 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.519 0.192 -18.308 1.00 0.00 H new ATOM 0 HG LEU A 135 3.718 0.978 -20.711 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.181 -0.015 -22.352 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.389 -1.197 -21.794 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.723 -1.264 -21.170 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.390 1.778 -20.808 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.923 0.566 -19.591 1.00 0.00 H new ATOM 0 HD23 LEU A 135 2.042 1.879 -19.155 1.00 0.00 H new ATOM 2090 N GLU A 136 6.207 -0.487 -21.123 1.00 0.00 N ATOM 2091 CA GLU A 136 7.136 0.432 -21.769 1.00 0.00 C ATOM 2092 C GLU A 136 6.403 1.657 -22.309 1.00 0.00 C ATOM 2093 O GLU A 136 5.315 1.541 -22.879 1.00 0.00 O ATOM 2094 CB GLU A 136 7.891 -0.273 -22.898 1.00 0.00 C ATOM 2095 CG GLU A 136 8.792 -1.410 -22.438 1.00 0.00 C ATOM 2096 CD GLU A 136 9.516 -2.036 -23.597 1.00 0.00 C ATOM 2097 OE1 GLU A 136 9.290 -1.622 -24.708 1.00 0.00 O ATOM 2098 OE2 GLU A 136 10.378 -2.850 -23.363 1.00 0.00 O ATOM 0 H GLU A 136 5.908 -1.267 -21.709 1.00 0.00 H new ATOM 0 HA GLU A 136 7.856 0.765 -21.021 1.00 0.00 H new ATOM 0 HB2 GLU A 136 7.168 -0.665 -23.613 1.00 0.00 H new ATOM 0 HB3 GLU A 136 8.496 0.462 -23.428 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.516 -1.034 -21.715 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.195 -2.166 -21.928 1.00 0.00 H new ATOM 2105 N HIS A 137 7.004 2.828 -22.129 1.00 0.00 N ATOM 2106 CA HIS A 137 6.398 4.076 -22.576 1.00 0.00 C ATOM 2107 C HIS A 137 7.351 4.850 -23.480 1.00 0.00 C ATOM 2108 O HIS A 137 7.009 5.196 -24.612 1.00 0.00 O ATOM 2109 CB HIS A 137 5.988 4.941 -21.380 1.00 0.00 C ATOM 2110 CG HIS A 137 5.298 6.212 -21.765 1.00 0.00 C ATOM 2111 ND1 HIS A 137 4.014 6.239 -22.268 1.00 0.00 N ATOM 2112 CD2 HIS A 137 5.713 7.500 -21.722 1.00 0.00 C ATOM 2113 CE1 HIS A 137 3.668 7.491 -22.517 1.00 0.00 C ATOM 2114 NE2 HIS A 137 4.681 8.274 -22.195 1.00 0.00 N ATOM 0 H HIS A 137 7.911 2.939 -21.676 1.00 0.00 H new ATOM 0 HA HIS A 137 5.504 3.826 -23.148 1.00 0.00 H new ATOM 0 HB2 HIS A 137 5.329 4.362 -20.733 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.876 5.183 -20.796 1.00 0.00 H new ATOM 0 HD2 HIS A 137 6.675 7.853 -21.380 1.00 0.00 H new ATOM 0 HE1 HIS A 137 2.719 7.817 -22.916 1.00 0.00 H new ATOM 0 HE2 HIS A 137 4.695 9.290 -22.283 1.00 0.00 H new ATOM 2121 N HIS A 138 8.551 5.121 -22.973 1.00 0.00 N ATOM 2122 CA HIS A 138 9.555 5.852 -23.737 1.00 0.00 C ATOM 2123 C HIS A 138 10.941 5.669 -23.126 1.00 0.00 C ATOM 2124 O HIS A 138 11.070 4.961 -22.129 1.00 0.00 O ATOM 2125 CB HIS A 138 9.205 7.342 -23.810 1.00 0.00 C ATOM 2126 CG HIS A 138 10.157 8.144 -24.641 1.00 0.00 C ATOM 2127 ND1 HIS A 138 10.197 8.057 -26.018 1.00 0.00 N ATOM 2128 CD2 HIS A 138 11.104 9.046 -24.293 1.00 0.00 C ATOM 2129 CE1 HIS A 138 11.128 8.873 -26.480 1.00 0.00 C ATOM 2130 NE2 HIS A 138 11.692 9.484 -25.455 1.00 0.00 N ATOM 0 H HIS A 138 8.850 4.845 -22.038 1.00 0.00 H new ATOM 0 HA HIS A 138 9.565 5.447 -24.749 1.00 0.00 H new ATOM 0 HB2 HIS A 138 8.200 7.450 -24.218 1.00 0.00 H new ATOM 0 HB3 HIS A 138 9.185 7.751 -22.800 1.00 0.00 H new ATOM 0 HD2 HIS A 138 11.351 9.362 -23.290 1.00 0.00 H new ATOM 0 HE1 HIS A 138 11.384 9.016 -27.519 1.00 0.00 H new ATOM 0 HE2 HIS A 138 12.444 10.171 -25.516 1.00 0.00 H new TER 2137 HIS A 138