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 133 SER OG : rot 69:sc= 1.09 USER MOD Set 1.2: A 134 HIS : no HD1:sc= 0.969 K(o=2.1,f=-3.8!) USER MOD Set 2.1: A 4 THR OG1 : rot -77:sc= 0.729 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.646 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.489 USER MOD Set 3.2: A 100 THR OG1 : rot -75:sc= 0.532 USER MOD Set 4.1: A 37 HIS : no HD1:sc= 0.512 K(o=0.37,f=-9.1!) USER MOD Set 4.2: A 61 SER OG : rot 114:sc= -0.146! USER MOD Set 5.1: A 7 THR OG1 : rot -121:sc= -0.712 USER MOD Set 5.2: A 121 GLN : amide:sc= 0.415 K(o=0.081,f=-4.2!) USER MOD Set 5.3: A 125 ASN : amide:sc= 0.379 K(o=0.081,f=-5.3) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0546 (180deg=-0.485) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.00885 (180deg=-0.081) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -30:sc= 0 USER MOD Single : A 21 THR OG1 : rot -67:sc= -0.0173 USER MOD Single : A 22 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0.919 (180deg=0.908) USER MOD Single : A 28 GLN : amide:sc= -0.0982 X(o=-0.098,f=-0.23) USER MOD Single : A 30 ASN : amide:sc= 0.596 K(o=0.6,f=-5.2!) USER MOD Single : A 33 SER OG : rot -90:sc= 0.77 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 128:sc= 1.19 USER MOD Single : A 42 THR OG1 : rot -72:sc= 0.977 USER MOD Single : A 52 SER OG : rot 29:sc= 0.177 USER MOD Single : A 53 SER OG : rot 180:sc= 0.549 USER MOD Single : A 55 MET CE :methyl -123:sc= -1.18 (180deg=-1.54) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 165:sc=-0.00624 (180deg=-0.212) USER MOD Single : A 69 THR OG1 : rot 31:sc= 1.17 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -24:sc= 1.16 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0107 X(o=-0.011,f=0.28) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.95) 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= -0.129 X(o=-0.13,f=-0.28) USER MOD Single : A 116 GLN : amide:sc= 0.947 K(o=0.95,f=-5.5!) 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=-0.96) USER MOD Single : A 126 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.3!) USER MOD Single : A 128 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.904) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 137 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.6) USER MOD Single : A 138 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.335 13.917 13.547 1.00 0.00 N ATOM 2 CA MET A 1 -1.988 14.433 12.228 1.00 0.00 C ATOM 3 C MET A 1 -2.259 13.390 11.148 1.00 0.00 C ATOM 4 O MET A 1 -2.079 12.193 11.369 1.00 0.00 O ATOM 5 CB MET A 1 -0.523 14.862 12.196 1.00 0.00 C ATOM 6 CG MET A 1 -0.210 16.096 13.031 1.00 0.00 C ATOM 7 SD MET A 1 1.542 16.526 13.007 1.00 0.00 S ATOM 8 CE MET A 1 1.758 16.969 11.286 1.00 0.00 C ATOM 0 H1 MET A 1 -3.138 14.455 13.930 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.596 12.913 13.469 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.518 14.014 14.184 1.00 0.00 H new ATOM 0 HA MET A 1 -2.613 15.303 12.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.093 14.034 12.548 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.236 15.056 11.162 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.792 16.939 12.659 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.523 15.922 14.060 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.673 17.551 11.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.827 16.064 10.683 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.906 17.563 10.953 1.00 0.00 H new ATOM 20 N ASN A 2 -2.691 13.853 9.980 1.00 0.00 N ATOM 21 CA ASN A 2 -2.795 12.991 8.807 1.00 0.00 C ATOM 22 C ASN A 2 -1.594 13.180 7.885 1.00 0.00 C ATOM 23 O ASN A 2 -1.246 14.306 7.526 1.00 0.00 O ATOM 24 CB ASN A 2 -4.086 13.237 8.049 1.00 0.00 C ATOM 25 CG ASN A 2 -5.323 12.883 8.827 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.555 11.717 9.166 1.00 0.00 O ATOM 27 ND2 ASN A 2 -6.157 13.868 9.042 1.00 0.00 N ATOM 0 H ASN A 2 -2.975 14.820 9.820 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.804 11.960 9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.135 14.288 7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.070 12.658 7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.046 13.691 9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.918 14.813 8.742 1.00 0.00 H new ATOM 34 N ILE A 3 -0.967 12.072 7.505 1.00 0.00 N ATOM 35 CA ILE A 3 0.182 12.115 6.608 1.00 0.00 C ATOM 36 C ILE A 3 -0.183 11.594 5.222 1.00 0.00 C ATOM 37 O ILE A 3 -0.764 10.517 5.084 1.00 0.00 O ATOM 38 CB ILE A 3 1.362 11.296 7.162 1.00 0.00 C ATOM 39 CG1 ILE A 3 1.796 11.839 8.525 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.526 11.311 6.183 1.00 0.00 C ATOM 41 CD1 ILE A 3 2.754 10.934 9.266 1.00 0.00 C ATOM 0 H ILE A 3 -1.235 11.134 7.804 1.00 0.00 H new ATOM 0 HA ILE A 3 0.484 13.160 6.532 1.00 0.00 H new ATOM 0 HB ILE A 3 1.037 10.264 7.292 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.266 12.813 8.385 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.911 11.998 9.141 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.352 10.727 6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.209 10.878 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.853 12.338 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.016 11.386 10.223 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.281 9.967 9.439 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.657 10.795 8.671 1.00 0.00 H new ATOM 53 N THR A 4 0.162 12.366 4.197 1.00 0.00 N ATOM 54 CA THR A 4 -0.218 12.034 2.829 1.00 0.00 C ATOM 55 C THR A 4 1.012 11.808 1.957 1.00 0.00 C ATOM 56 O THR A 4 1.969 12.582 2.001 1.00 0.00 O ATOM 57 CB THR A 4 -1.085 13.140 2.200 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.290 13.297 2.962 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.441 12.786 0.764 1.00 0.00 C ATOM 0 H THR A 4 0.704 13.225 4.288 1.00 0.00 H new ATOM 0 HA THR A 4 -0.800 11.114 2.878 1.00 0.00 H new ATOM 0 HB THR A 4 -0.519 14.072 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.910 12.570 2.746 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.054 13.579 0.335 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.528 12.677 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.997 11.848 0.747 1.00 0.00 H new ATOM 67 N VAL A 5 0.982 10.741 1.164 1.00 0.00 N ATOM 68 CA VAL A 5 2.031 10.486 0.185 1.00 0.00 C ATOM 69 C VAL A 5 1.440 10.162 -1.183 1.00 0.00 C ATOM 70 O VAL A 5 0.314 9.675 -1.283 1.00 0.00 O ATOM 71 CB VAL A 5 2.946 9.328 0.626 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.693 9.695 1.899 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.136 8.057 0.833 1.00 0.00 C ATOM 0 H VAL A 5 0.242 10.039 1.181 1.00 0.00 H new ATOM 0 HA VAL A 5 2.624 11.398 0.114 1.00 0.00 H new ATOM 0 HB VAL A 5 3.676 9.147 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.335 8.866 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.303 10.580 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.977 9.903 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.799 7.250 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.384 8.226 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.644 7.783 -0.100 1.00 0.00 H new ATOM 83 N GLU A 6 2.207 10.435 -2.233 1.00 0.00 N ATOM 84 CA GLU A 6 1.703 10.324 -3.597 1.00 0.00 C ATOM 85 C GLU A 6 2.799 9.848 -4.546 1.00 0.00 C ATOM 86 O GLU A 6 3.955 10.259 -4.434 1.00 0.00 O ATOM 87 CB GLU A 6 1.137 11.664 -4.071 1.00 0.00 C ATOM 88 CG GLU A 6 0.464 11.616 -5.435 1.00 0.00 C ATOM 89 CD GLU A 6 -0.082 12.961 -5.823 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.827 13.522 -5.056 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.332 13.480 -6.834 1.00 0.00 O ATOM 0 H GLU A 6 3.180 10.735 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 6 0.902 9.585 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.415 12.020 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.945 12.395 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.181 11.282 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.344 10.884 -5.419 1.00 0.00 H new ATOM 98 N THR A 7 2.428 8.978 -5.480 1.00 0.00 N ATOM 99 CA THR A 7 3.347 8.539 -6.523 1.00 0.00 C ATOM 100 C THR A 7 2.625 8.368 -7.855 1.00 0.00 C ATOM 101 O THR A 7 1.546 7.778 -7.917 1.00 0.00 O ATOM 102 CB THR A 7 4.036 7.214 -6.149 1.00 0.00 C ATOM 103 OG1 THR A 7 4.818 7.398 -4.962 1.00 0.00 O ATOM 104 CG2 THR A 7 4.939 6.745 -7.279 1.00 0.00 C ATOM 0 H THR A 7 1.498 8.563 -5.536 1.00 0.00 H new ATOM 0 HA THR A 7 4.106 9.315 -6.621 1.00 0.00 H new ATOM 0 HB THR A 7 3.269 6.460 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.755 7.180 -5.150 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.418 5.807 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.345 6.593 -8.180 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.703 7.499 -7.471 1.00 0.00 H new ATOM 112 N THR A 8 3.227 8.887 -8.921 1.00 0.00 N ATOM 113 CA THR A 8 2.632 8.808 -10.249 1.00 0.00 C ATOM 114 C THR A 8 3.383 7.813 -11.128 1.00 0.00 C ATOM 115 O THR A 8 4.603 7.893 -11.272 1.00 0.00 O ATOM 116 CB THR A 8 2.616 10.182 -10.943 1.00 0.00 C ATOM 117 OG1 THR A 8 1.817 11.096 -10.179 1.00 0.00 O ATOM 118 CG2 THR A 8 2.042 10.064 -12.346 1.00 0.00 C ATOM 0 H THR A 8 4.127 9.367 -8.890 1.00 0.00 H new ATOM 0 HA THR A 8 1.605 8.468 -10.115 1.00 0.00 H new ATOM 0 HB THR A 8 3.640 10.551 -11.010 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.808 11.971 -10.620 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.038 11.045 -12.821 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.653 9.379 -12.933 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.022 9.684 -12.291 1.00 0.00 H new ATOM 126 N VAL A 9 2.644 6.876 -11.715 1.00 0.00 N ATOM 127 CA VAL A 9 3.244 5.845 -12.554 1.00 0.00 C ATOM 128 C VAL A 9 2.560 5.777 -13.914 1.00 0.00 C ATOM 129 O VAL A 9 1.357 6.012 -14.028 1.00 0.00 O ATOM 130 CB VAL A 9 3.175 4.460 -11.884 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.896 4.480 -10.544 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.727 4.028 -11.702 1.00 0.00 C ATOM 0 H VAL A 9 1.630 6.810 -11.625 1.00 0.00 H new ATOM 0 HA VAL A 9 4.290 6.119 -12.690 1.00 0.00 H new ATOM 0 HB VAL A 9 3.672 3.738 -12.533 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.837 3.493 -10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.942 4.747 -10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.426 5.214 -9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.697 3.047 -11.227 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.208 4.752 -11.074 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.238 3.975 -12.675 1.00 0.00 H new ATOM 142 N ALA A 10 3.334 5.452 -14.945 1.00 0.00 N ATOM 143 CA ALA A 10 2.797 5.326 -16.294 1.00 0.00 C ATOM 144 C ALA A 10 2.293 3.910 -16.553 1.00 0.00 C ATOM 145 O ALA A 10 2.963 3.113 -17.208 1.00 0.00 O ATOM 146 CB ALA A 10 3.853 5.709 -17.320 1.00 0.00 C ATOM 0 H ALA A 10 4.335 5.271 -14.871 1.00 0.00 H new ATOM 0 HA ALA A 10 1.952 6.008 -16.388 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.438 5.610 -18.323 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.163 6.741 -17.155 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.716 5.051 -17.218 1.00 0.00 H new ATOM 152 N ALA A 11 1.107 3.605 -16.037 1.00 0.00 N ATOM 153 CA ALA A 11 0.515 2.285 -16.209 1.00 0.00 C ATOM 154 C ALA A 11 -1.005 2.346 -16.098 1.00 0.00 C ATOM 155 O ALA A 11 -1.568 3.210 -15.426 1.00 0.00 O ATOM 156 CB ALA A 11 1.083 1.315 -15.183 1.00 0.00 C ATOM 0 H ALA A 11 0.537 4.255 -15.496 1.00 0.00 H new ATOM 0 HA ALA A 11 0.766 1.928 -17.208 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.632 0.332 -15.323 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.163 1.240 -15.312 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.861 1.676 -14.179 1.00 0.00 H new ATOM 162 N PRO A 12 -1.686 1.408 -16.773 1.00 0.00 N ATOM 163 CA PRO A 12 -3.148 1.317 -16.744 1.00 0.00 C ATOM 164 C PRO A 12 -3.696 1.229 -15.324 1.00 0.00 C ATOM 165 O PRO A 12 -3.091 0.605 -14.453 1.00 0.00 O ATOM 166 CB PRO A 12 -3.455 0.051 -17.552 1.00 0.00 C ATOM 167 CG PRO A 12 -2.287 -0.098 -18.466 1.00 0.00 C ATOM 168 CD PRO A 12 -1.097 0.371 -17.673 1.00 0.00 C ATOM 0 HA PRO A 12 -3.622 2.206 -17.160 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.565 -0.818 -16.903 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.386 0.152 -18.110 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.165 -1.134 -18.782 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.417 0.498 -19.370 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.641 -0.442 -17.109 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.321 0.787 -18.316 1.00 0.00 H new ATOM 176 N VAL A 13 -4.845 1.857 -15.098 1.00 0.00 N ATOM 177 CA VAL A 13 -5.439 1.910 -13.768 1.00 0.00 C ATOM 178 C VAL A 13 -5.721 0.509 -13.236 1.00 0.00 C ATOM 179 O VAL A 13 -5.473 0.215 -12.068 1.00 0.00 O ATOM 180 CB VAL A 13 -6.747 2.724 -13.764 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.446 2.602 -12.418 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.467 4.183 -14.088 1.00 0.00 C ATOM 0 H VAL A 13 -5.383 2.337 -15.819 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.715 2.403 -13.120 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.406 2.321 -14.533 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.368 3.183 -12.433 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.680 1.555 -12.223 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.792 2.980 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.402 4.743 -14.081 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.790 4.598 -13.342 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.008 4.255 -15.074 1.00 0.00 H new ATOM 192 N GLY A 14 -6.242 -0.353 -14.104 1.00 0.00 N ATOM 193 CA GLY A 14 -6.605 -1.696 -13.689 1.00 0.00 C ATOM 194 C GLY A 14 -5.404 -2.518 -13.268 1.00 0.00 C ATOM 195 O GLY A 14 -5.458 -3.251 -12.280 1.00 0.00 O ATOM 0 H GLY A 14 -6.419 -0.146 -15.087 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.310 -1.638 -12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.117 -2.200 -14.509 1.00 0.00 H new ATOM 199 N LYS A 15 -4.314 -2.399 -14.019 1.00 0.00 N ATOM 200 CA LYS A 15 -3.098 -3.149 -13.729 1.00 0.00 C ATOM 201 C LYS A 15 -2.458 -2.668 -12.432 1.00 0.00 C ATOM 202 O LYS A 15 -1.988 -3.470 -11.624 1.00 0.00 O ATOM 203 CB LYS A 15 -2.104 -3.029 -14.885 1.00 0.00 C ATOM 204 CG LYS A 15 -2.521 -3.762 -16.153 1.00 0.00 C ATOM 205 CD LYS A 15 -1.453 -3.656 -17.231 1.00 0.00 C ATOM 206 CE LYS A 15 -1.891 -4.344 -18.515 1.00 0.00 C ATOM 207 NZ LYS A 15 -0.854 -4.250 -19.579 1.00 0.00 N ATOM 0 H LYS A 15 -4.248 -1.789 -14.834 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.370 -4.198 -13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.964 -1.974 -15.119 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.138 -3.414 -14.559 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.707 -4.811 -15.924 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.458 -3.346 -16.524 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.241 -2.606 -17.433 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.527 -4.105 -16.873 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.106 -5.393 -18.309 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.817 -3.893 -18.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.192 -4.731 -20.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.667 -3.250 -19.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.023 -4.703 -19.251 1.00 0.00 H new ATOM 221 N VAL A 16 -2.445 -1.353 -12.235 1.00 0.00 N ATOM 222 CA VAL A 16 -1.877 -0.767 -11.027 1.00 0.00 C ATOM 223 C VAL A 16 -2.680 -1.163 -9.793 1.00 0.00 C ATOM 224 O VAL A 16 -2.116 -1.569 -8.777 1.00 0.00 O ATOM 225 CB VAL A 16 -1.817 0.770 -11.120 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.438 1.370 -9.774 1.00 0.00 C ATOM 227 CG2 VAL A 16 -0.828 1.201 -12.192 1.00 0.00 C ATOM 0 H VAL A 16 -2.821 -0.674 -12.897 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.863 -1.155 -10.935 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.805 1.137 -11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.400 2.456 -9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.182 1.089 -9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.460 0.995 -9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.799 2.289 -12.244 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.164 0.823 -11.945 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.139 0.800 -13.157 1.00 0.00 H new ATOM 237 N TRP A 17 -3.999 -1.043 -9.890 1.00 0.00 N ATOM 238 CA TRP A 17 -4.879 -1.346 -8.767 1.00 0.00 C ATOM 239 C TRP A 17 -4.789 -2.822 -8.389 1.00 0.00 C ATOM 240 O TRP A 17 -4.720 -3.167 -7.210 1.00 0.00 O ATOM 241 CB TRP A 17 -6.324 -0.982 -9.110 1.00 0.00 C ATOM 242 CG TRP A 17 -7.283 -1.235 -7.986 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.569 -0.396 -6.948 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.082 -2.407 -7.789 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.496 -0.976 -6.116 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.828 -2.210 -6.611 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.240 -3.603 -8.494 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.716 -3.165 -6.124 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -9.122 -4.550 -8.009 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.852 -4.327 -6.834 1.00 0.00 C ATOM 0 H TRP A 17 -4.483 -0.738 -10.735 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.556 -0.750 -7.913 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.370 0.071 -9.387 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.638 -1.555 -9.982 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.131 0.580 -6.802 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -8.876 -0.556 -5.267 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.683 -3.784 -9.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.278 -2.995 -5.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -9.251 -5.479 -8.545 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.535 -5.086 -6.482 1.00 0.00 H new ATOM 261 N ARG A 18 -4.789 -3.687 -9.398 1.00 0.00 N ATOM 262 CA ARG A 18 -4.713 -5.125 -9.172 1.00 0.00 C ATOM 263 C ARG A 18 -3.355 -5.511 -8.593 1.00 0.00 C ATOM 264 O ARG A 18 -3.264 -6.370 -7.716 1.00 0.00 O ATOM 265 CB ARG A 18 -5.035 -5.924 -10.426 1.00 0.00 C ATOM 266 CG ARG A 18 -6.507 -5.956 -10.804 1.00 0.00 C ATOM 267 CD ARG A 18 -6.811 -6.760 -12.015 1.00 0.00 C ATOM 268 NE ARG A 18 -8.226 -6.855 -12.336 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.733 -7.573 -13.357 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.945 -8.230 -14.179 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.044 -7.582 -13.524 1.00 0.00 N ATOM 0 H ARG A 18 -4.841 -3.417 -10.380 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.478 -5.380 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.470 -5.508 -11.260 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.688 -6.948 -10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.077 -6.355 -9.965 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.851 -4.934 -10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.287 -6.325 -12.866 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.414 -7.766 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.881 -6.342 -11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.934 -8.201 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.345 -8.769 -14.947 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.643 -7.054 -12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.457 -8.116 -14.288 1.00 0.00 H new ATOM 285 N ALA A 19 -2.301 -4.871 -9.089 1.00 0.00 N ATOM 286 CA ALA A 19 -0.957 -5.097 -8.573 1.00 0.00 C ATOM 287 C ALA A 19 -0.796 -4.496 -7.180 1.00 0.00 C ATOM 288 O ALA A 19 0.041 -4.940 -6.395 1.00 0.00 O ATOM 289 CB ALA A 19 0.078 -4.514 -9.524 1.00 0.00 C ATOM 0 H ALA A 19 -2.352 -4.192 -9.848 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.799 -6.173 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.077 -4.690 -9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.014 -4.992 -10.499 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.087 -3.442 -9.629 1.00 0.00 H new ATOM 295 N TYR A 20 -1.603 -3.484 -6.881 1.00 0.00 N ATOM 296 CA TYR A 20 -1.541 -2.813 -5.588 1.00 0.00 C ATOM 297 C TYR A 20 -2.006 -3.742 -4.471 1.00 0.00 C ATOM 298 O TYR A 20 -1.591 -3.605 -3.320 1.00 0.00 O ATOM 299 CB TYR A 20 -2.390 -1.540 -5.603 1.00 0.00 C ATOM 300 CG TYR A 20 -2.124 -0.612 -4.438 1.00 0.00 C ATOM 301 CD1 TYR A 20 -1.068 0.287 -4.469 1.00 0.00 C ATOM 302 CD2 TYR A 20 -2.932 -0.637 -3.311 1.00 0.00 C ATOM 303 CE1 TYR A 20 -0.821 1.136 -3.408 1.00 0.00 C ATOM 304 CE2 TYR A 20 -2.695 0.208 -2.244 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.638 1.093 -2.296 1.00 0.00 C ATOM 306 OH TYR A 20 -1.397 1.937 -1.237 1.00 0.00 O ATOM 0 H TYR A 20 -2.308 -3.110 -7.517 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.503 -2.540 -5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.205 -1.002 -6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.444 -1.818 -5.600 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.428 0.324 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.760 -1.329 -3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.006 1.829 -3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.334 0.176 -1.374 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.438 2.129 -1.184 1.00 0.00 H new ATOM 316 N THR A 21 -2.871 -4.690 -4.819 1.00 0.00 N ATOM 317 CA THR A 21 -3.501 -5.552 -3.827 1.00 0.00 C ATOM 318 C THR A 21 -3.266 -7.023 -4.149 1.00 0.00 C ATOM 319 O THR A 21 -4.062 -7.887 -3.777 1.00 0.00 O ATOM 320 CB THR A 21 -5.016 -5.293 -3.734 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.619 -5.502 -5.018 1.00 0.00 O ATOM 322 CG2 THR A 21 -5.286 -3.868 -3.278 1.00 0.00 C ATOM 0 H THR A 21 -3.151 -4.880 -5.781 1.00 0.00 H new ATOM 0 HA THR A 21 -3.042 -5.315 -2.867 1.00 0.00 H new ATOM 0 HB THR A 21 -5.443 -5.984 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.307 -4.814 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.362 -3.703 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.839 -3.709 -2.297 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.851 -3.169 -3.992 1.00 0.00 H new ATOM 330 N THR A 22 -2.166 -7.304 -4.840 1.00 0.00 N ATOM 331 CA THR A 22 -1.682 -8.672 -4.983 1.00 0.00 C ATOM 332 C THR A 22 -0.456 -8.915 -4.111 1.00 0.00 C ATOM 333 O THR A 22 0.544 -8.202 -4.191 1.00 0.00 O ATOM 334 CB THR A 22 -1.332 -8.997 -6.447 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.499 -8.845 -7.266 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.815 -10.423 -6.568 1.00 0.00 C ATOM 0 H THR A 22 -1.593 -6.603 -5.310 1.00 0.00 H new ATOM 0 HA THR A 22 -2.490 -9.328 -4.659 1.00 0.00 H new ATOM 0 HB THR A 22 -0.554 -8.309 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.647 -7.894 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.573 -10.635 -7.609 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.080 -10.539 -5.956 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.581 -11.118 -6.225 1.00 0.00 H new ATOM 344 N PRO A 23 -0.532 -9.949 -3.259 1.00 0.00 N ATOM 345 CA PRO A 23 0.519 -10.246 -2.280 1.00 0.00 C ATOM 346 C PRO A 23 1.786 -10.784 -2.937 1.00 0.00 C ATOM 347 O PRO A 23 2.898 -10.474 -2.508 1.00 0.00 O ATOM 348 CB PRO A 23 -0.117 -11.315 -1.390 1.00 0.00 C ATOM 349 CG PRO A 23 -1.197 -11.910 -2.226 1.00 0.00 C ATOM 350 CD PRO A 23 -1.725 -10.791 -3.079 1.00 0.00 C ATOM 0 HA PRO A 23 0.836 -9.355 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.613 -12.068 -1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.519 -10.880 -0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.811 -12.722 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.986 -12.331 -1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.115 -11.153 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.534 -10.251 -2.587 1.00 0.00 H new ATOM 358 N GLU A 24 1.611 -11.591 -3.979 1.00 0.00 N ATOM 359 CA GLU A 24 2.740 -12.098 -4.749 1.00 0.00 C ATOM 360 C GLU A 24 3.505 -10.955 -5.410 1.00 0.00 C ATOM 361 O GLU A 24 4.729 -11.008 -5.541 1.00 0.00 O ATOM 362 CB GLU A 24 2.262 -13.096 -5.807 1.00 0.00 C ATOM 363 CG GLU A 24 1.782 -14.426 -5.244 1.00 0.00 C ATOM 364 CD GLU A 24 2.868 -15.115 -4.465 1.00 0.00 C ATOM 365 OE1 GLU A 24 3.948 -15.256 -4.987 1.00 0.00 O ATOM 366 OE2 GLU A 24 2.655 -15.399 -3.310 1.00 0.00 O ATOM 0 H GLU A 24 0.699 -11.907 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 24 3.414 -12.610 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.451 -12.642 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.077 -13.284 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.919 -14.260 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.452 -15.070 -6.059 1.00 0.00 H new ATOM 373 N ASP A 25 2.777 -9.925 -5.825 1.00 0.00 N ATOM 374 CA ASP A 25 3.394 -8.727 -6.380 1.00 0.00 C ATOM 375 C ASP A 25 4.109 -7.930 -5.292 1.00 0.00 C ATOM 376 O ASP A 25 5.175 -7.361 -5.525 1.00 0.00 O ATOM 377 CB ASP A 25 2.345 -7.853 -7.072 1.00 0.00 C ATOM 378 CG ASP A 25 1.866 -8.390 -8.414 1.00 0.00 C ATOM 379 OD1 ASP A 25 2.478 -9.301 -8.920 1.00 0.00 O ATOM 380 OD2 ASP A 25 0.808 -7.997 -8.845 1.00 0.00 O ATOM 0 H ASP A 25 1.758 -9.896 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 25 4.132 -9.039 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.486 -7.745 -6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.761 -6.856 -7.220 1.00 0.00 H new ATOM 385 N ILE A 26 3.513 -7.894 -4.105 1.00 0.00 N ATOM 386 CA ILE A 26 4.118 -7.212 -2.968 1.00 0.00 C ATOM 387 C ILE A 26 5.480 -7.810 -2.628 1.00 0.00 C ATOM 388 O ILE A 26 6.402 -7.099 -2.230 1.00 0.00 O ATOM 389 CB ILE A 26 3.213 -7.276 -1.724 1.00 0.00 C ATOM 390 CG1 ILE A 26 1.984 -6.383 -1.911 1.00 0.00 C ATOM 391 CG2 ILE A 26 3.988 -6.867 -0.481 1.00 0.00 C ATOM 392 CD1 ILE A 26 0.927 -6.568 -0.846 1.00 0.00 C ATOM 0 H ILE A 26 2.612 -8.329 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 26 4.246 -6.169 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 26 2.874 -8.304 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.302 -5.340 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.543 -6.587 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.333 -6.918 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.832 -7.542 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.355 -5.847 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.088 -5.902 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.580 -7.601 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.350 -6.335 0.131 1.00 0.00 H new ATOM 404 N LYS A 27 5.599 -9.123 -2.791 1.00 0.00 N ATOM 405 CA LYS A 27 6.829 -9.829 -2.450 1.00 0.00 C ATOM 406 C LYS A 27 7.967 -9.418 -3.378 1.00 0.00 C ATOM 407 O LYS A 27 9.141 -9.576 -3.043 1.00 0.00 O ATOM 408 CB LYS A 27 6.616 -11.342 -2.513 1.00 0.00 C ATOM 409 CG LYS A 27 5.705 -11.895 -1.426 1.00 0.00 C ATOM 410 CD LYS A 27 5.430 -13.377 -1.634 1.00 0.00 C ATOM 411 CE LYS A 27 4.503 -13.925 -0.560 1.00 0.00 C ATOM 412 NZ LYS A 27 4.139 -15.346 -0.812 1.00 0.00 N ATOM 0 H LYS A 27 4.858 -9.721 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 27 7.102 -9.557 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.197 -11.597 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.585 -11.836 -2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.166 -11.742 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.764 -11.345 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.983 -13.531 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.370 -13.928 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.986 -13.841 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.597 -13.320 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.548 -15.697 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.610 -15.416 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.004 -15.920 -0.876 1.00 0.00 H new ATOM 426 N GLN A 28 7.612 -8.889 -4.545 1.00 0.00 N ATOM 427 CA GLN A 28 8.603 -8.521 -5.549 1.00 0.00 C ATOM 428 C GLN A 28 9.493 -7.389 -5.046 1.00 0.00 C ATOM 429 O GLN A 28 10.668 -7.306 -5.404 1.00 0.00 O ATOM 430 CB GLN A 28 7.917 -8.102 -6.852 1.00 0.00 C ATOM 431 CG GLN A 28 7.168 -9.224 -7.550 1.00 0.00 C ATOM 432 CD GLN A 28 8.084 -10.359 -7.967 1.00 0.00 C ATOM 433 OE1 GLN A 28 9.158 -10.133 -8.531 1.00 0.00 O ATOM 434 NE2 GLN A 28 7.663 -11.589 -7.694 1.00 0.00 N ATOM 0 H GLN A 28 6.646 -8.706 -4.818 1.00 0.00 H new ATOM 0 HA GLN A 28 9.226 -9.395 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.219 -7.293 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.669 -7.703 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.395 -9.610 -6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.662 -8.827 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.768 -11.729 -7.226 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.235 -12.393 -7.952 1.00 0.00 H new ATOM 443 N TRP A 29 8.926 -6.522 -4.215 1.00 0.00 N ATOM 444 CA TRP A 29 9.621 -5.315 -3.780 1.00 0.00 C ATOM 445 C TRP A 29 9.694 -5.250 -2.258 1.00 0.00 C ATOM 446 O TRP A 29 10.211 -4.286 -1.694 1.00 0.00 O ATOM 447 CB TRP A 29 8.923 -4.069 -4.328 1.00 0.00 C ATOM 448 CG TRP A 29 7.441 -4.064 -4.101 1.00 0.00 C ATOM 449 CD1 TRP A 29 6.484 -4.517 -4.959 1.00 0.00 C ATOM 450 CD2 TRP A 29 6.749 -3.585 -2.942 1.00 0.00 C ATOM 451 NE1 TRP A 29 5.238 -4.349 -4.408 1.00 0.00 N ATOM 452 CE2 TRP A 29 5.374 -3.779 -3.167 1.00 0.00 C ATOM 453 CE3 TRP A 29 7.160 -3.011 -1.733 1.00 0.00 C ATOM 454 CZ2 TRP A 29 4.411 -3.421 -2.237 1.00 0.00 C ATOM 455 CZ3 TRP A 29 6.194 -2.653 -0.800 1.00 0.00 C ATOM 456 CH2 TRP A 29 4.859 -2.852 -1.045 1.00 0.00 C ATOM 0 H TRP A 29 7.988 -6.632 -3.829 1.00 0.00 H new ATOM 0 HA TRP A 29 10.637 -5.349 -4.172 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.357 -3.185 -3.861 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.119 -3.994 -5.398 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.678 -4.946 -5.931 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.355 -4.606 -4.849 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.208 -2.849 -1.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.359 -3.576 -2.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.500 -2.210 0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.137 -2.561 -0.296 1.00 0.00 H new ATOM 467 N ASN A 30 9.176 -6.281 -1.599 1.00 0.00 N ATOM 468 CA ASN A 30 9.274 -6.388 -0.148 1.00 0.00 C ATOM 469 C ASN A 30 9.176 -7.844 0.297 1.00 0.00 C ATOM 470 O ASN A 30 8.919 -8.735 -0.512 1.00 0.00 O ATOM 471 CB ASN A 30 8.214 -5.552 0.544 1.00 0.00 C ATOM 472 CG ASN A 30 8.652 -4.996 1.871 1.00 0.00 C ATOM 473 OD1 ASN A 30 9.605 -5.486 2.487 1.00 0.00 O ATOM 474 ND2 ASN A 30 7.912 -4.030 2.350 1.00 0.00 N ATOM 0 H ASN A 30 8.684 -7.054 -2.047 1.00 0.00 H new ATOM 0 HA ASN A 30 10.250 -6.000 0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.931 -4.727 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.323 -6.162 0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.110 -3.646 3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.136 -3.661 1.800 1.00 0.00 H new ATOM 481 N ALA A 31 9.381 -8.077 1.590 1.00 0.00 N ATOM 482 CA ALA A 31 9.138 -9.389 2.177 1.00 0.00 C ATOM 483 C ALA A 31 9.978 -10.461 1.491 1.00 0.00 C ATOM 484 O ALA A 31 9.448 -11.458 1.000 1.00 0.00 O ATOM 485 CB ALA A 31 7.660 -9.740 2.093 1.00 0.00 C ATOM 0 H ALA A 31 9.715 -7.375 2.250 1.00 0.00 H new ATOM 0 HA ALA A 31 9.431 -9.350 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.494 -10.722 2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.078 -8.995 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.348 -9.755 1.049 1.00 0.00 H new ATOM 491 N ALA A 32 11.290 -10.249 1.461 1.00 0.00 N ATOM 492 CA ALA A 32 12.208 -11.230 0.897 1.00 0.00 C ATOM 493 C ALA A 32 13.637 -10.975 1.364 1.00 0.00 C ATOM 494 O ALA A 32 14.033 -9.830 1.586 1.00 0.00 O ATOM 495 CB ALA A 32 12.136 -11.210 -0.623 1.00 0.00 C ATOM 0 H ALA A 32 11.740 -9.407 1.820 1.00 0.00 H new ATOM 0 HA ALA A 32 11.908 -12.217 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.827 -11.948 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.121 -11.448 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.408 -10.219 -0.987 1.00 0.00 H new ATOM 501 N SER A 33 14.408 -12.048 1.509 1.00 0.00 N ATOM 502 CA SER A 33 15.762 -11.950 2.043 1.00 0.00 C ATOM 503 C SER A 33 16.691 -12.946 1.354 1.00 0.00 C ATOM 504 O SER A 33 16.248 -13.973 0.843 1.00 0.00 O ATOM 505 CB SER A 33 15.752 -12.183 3.541 1.00 0.00 C ATOM 506 OG SER A 33 15.323 -13.475 3.871 1.00 0.00 O ATOM 0 H SER A 33 14.119 -12.995 1.264 1.00 0.00 H new ATOM 0 HA SER A 33 16.137 -10.946 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.754 -12.021 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 33 15.098 -11.452 4.017 1.00 0.00 H new ATOM 0 HG SER A 33 14.350 -13.476 3.990 1.00 0.00 H new ATOM 512 N ASP A 34 17.982 -12.632 1.347 1.00 0.00 N ATOM 513 CA ASP A 34 18.984 -13.535 0.795 1.00 0.00 C ATOM 514 C ASP A 34 19.563 -14.436 1.882 1.00 0.00 C ATOM 515 O ASP A 34 19.966 -15.568 1.615 1.00 0.00 O ATOM 516 CB ASP A 34 20.103 -12.744 0.112 1.00 0.00 C ATOM 517 CG ASP A 34 19.657 -11.944 -1.104 1.00 0.00 C ATOM 518 OD1 ASP A 34 19.085 -12.526 -1.995 1.00 0.00 O ATOM 519 OD2 ASP A 34 19.749 -10.741 -1.065 1.00 0.00 O ATOM 0 H ASP A 34 18.359 -11.759 1.717 1.00 0.00 H new ATOM 0 HA ASP A 34 18.496 -14.165 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 34 20.544 -12.062 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.888 -13.437 -0.192 1.00 0.00 H new ATOM 524 N ASP A 35 19.603 -13.925 3.107 1.00 0.00 N ATOM 525 CA ASP A 35 20.173 -14.665 4.226 1.00 0.00 C ATOM 526 C ASP A 35 19.122 -15.556 4.882 1.00 0.00 C ATOM 527 O ASP A 35 19.140 -15.763 6.095 1.00 0.00 O ATOM 528 CB ASP A 35 20.770 -13.705 5.258 1.00 0.00 C ATOM 529 CG ASP A 35 22.064 -13.035 4.818 1.00 0.00 C ATOM 530 OD1 ASP A 35 22.632 -13.466 3.843 1.00 0.00 O ATOM 531 OD2 ASP A 35 22.391 -12.006 5.361 1.00 0.00 O ATOM 0 H ASP A 35 19.247 -13.001 3.350 1.00 0.00 H new ATOM 0 HA ASP A 35 20.969 -15.301 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.035 -12.933 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.955 -14.253 6.182 1.00 0.00 H new ATOM 536 N TRP A 36 18.209 -16.078 4.072 1.00 0.00 N ATOM 537 CA TRP A 36 17.316 -17.144 4.513 1.00 0.00 C ATOM 538 C TRP A 36 16.544 -16.725 5.758 1.00 0.00 C ATOM 539 O TRP A 36 16.645 -17.362 6.808 1.00 0.00 O ATOM 540 CB TRP A 36 18.107 -18.424 4.790 1.00 0.00 C ATOM 541 CG TRP A 36 18.895 -18.907 3.611 1.00 0.00 C ATOM 542 CD1 TRP A 36 18.419 -19.613 2.547 1.00 0.00 C ATOM 543 CD2 TRP A 36 20.296 -18.720 3.375 1.00 0.00 C ATOM 544 NE1 TRP A 36 19.436 -19.880 1.663 1.00 0.00 N ATOM 545 CE2 TRP A 36 20.599 -19.339 2.149 1.00 0.00 C ATOM 546 CE3 TRP A 36 21.324 -18.086 4.084 1.00 0.00 C ATOM 547 CZ2 TRP A 36 21.879 -19.347 1.618 1.00 0.00 C ATOM 548 CZ3 TRP A 36 22.607 -18.093 3.550 1.00 0.00 C ATOM 549 CH2 TRP A 36 22.876 -18.705 2.352 1.00 0.00 C ATOM 0 H TRP A 36 18.067 -15.781 3.107 1.00 0.00 H new ATOM 0 HA TRP A 36 16.601 -17.338 3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.787 -18.248 5.624 1.00 0.00 H new ATOM 0 HB3 TRP A 36 17.417 -19.208 5.101 1.00 0.00 H new ATOM 0 HD1 TRP A 36 17.391 -19.918 2.418 1.00 0.00 H new ATOM 0 HE1 TRP A 36 19.342 -20.396 0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 36 21.123 -17.601 5.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 22.095 -19.830 0.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 23.408 -17.607 4.088 1.00 0.00 H new ATOM 0 HH2 TRP A 36 23.885 -18.689 1.968 1.00 0.00 H new ATOM 560 N HIS A 37 15.770 -15.651 5.637 1.00 0.00 N ATOM 561 CA HIS A 37 14.795 -15.291 6.660 1.00 0.00 C ATOM 562 C HIS A 37 13.371 -15.484 6.145 1.00 0.00 C ATOM 563 O HIS A 37 13.095 -15.285 4.961 1.00 0.00 O ATOM 564 CB HIS A 37 14.998 -13.843 7.118 1.00 0.00 C ATOM 565 CG HIS A 37 16.410 -13.525 7.499 1.00 0.00 C ATOM 566 ND1 HIS A 37 17.009 -14.037 8.630 1.00 0.00 N ATOM 567 CD2 HIS A 37 17.341 -12.747 6.899 1.00 0.00 C ATOM 568 CE1 HIS A 37 18.250 -13.588 8.709 1.00 0.00 C ATOM 569 NE2 HIS A 37 18.475 -12.803 7.672 1.00 0.00 N ATOM 0 H HIS A 37 15.799 -15.015 4.840 1.00 0.00 H new ATOM 0 HA HIS A 37 14.947 -15.951 7.514 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.687 -13.171 6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.348 -13.646 7.970 1.00 0.00 H new ATOM 0 HD2 HIS A 37 17.216 -12.187 5.984 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.959 -13.823 9.489 1.00 0.00 H new ATOM 0 HE2 HIS A 37 19.350 -12.316 7.476 1.00 0.00 H new ATOM 576 N THR A 38 12.470 -15.871 7.042 1.00 0.00 N ATOM 577 CA THR A 38 11.136 -16.306 6.647 1.00 0.00 C ATOM 578 C THR A 38 10.194 -15.119 6.493 1.00 0.00 C ATOM 579 O THR A 38 9.871 -14.437 7.467 1.00 0.00 O ATOM 580 CB THR A 38 10.539 -17.295 7.665 1.00 0.00 C ATOM 581 OG1 THR A 38 11.376 -18.455 7.756 1.00 0.00 O ATOM 582 CG2 THR A 38 9.139 -17.715 7.243 1.00 0.00 C ATOM 0 H THR A 38 12.640 -15.892 8.048 1.00 0.00 H new ATOM 0 HA THR A 38 11.241 -16.810 5.686 1.00 0.00 H new ATOM 0 HB THR A 38 10.482 -16.803 8.636 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.996 -19.083 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.733 -18.414 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.497 -16.836 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.183 -18.197 6.266 1.00 0.00 H new ATOM 590 N THR A 39 9.752 -14.874 5.262 1.00 0.00 N ATOM 591 CA THR A 39 8.802 -13.803 4.989 1.00 0.00 C ATOM 592 C THR A 39 7.528 -14.347 4.354 1.00 0.00 C ATOM 593 O THR A 39 7.552 -15.369 3.669 1.00 0.00 O ATOM 594 CB THR A 39 9.409 -12.732 4.063 1.00 0.00 C ATOM 595 OG1 THR A 39 9.686 -13.308 2.780 1.00 0.00 O ATOM 596 CG2 THR A 39 10.697 -12.182 4.657 1.00 0.00 C ATOM 0 H THR A 39 10.038 -15.404 4.439 1.00 0.00 H new ATOM 0 HA THR A 39 8.560 -13.345 5.948 1.00 0.00 H new ATOM 0 HB THR A 39 8.693 -11.917 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.275 -12.759 2.080 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.112 -11.427 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.487 -11.733 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.416 -12.992 4.780 1.00 0.00 H new ATOM 604 N ALA A 40 6.415 -13.658 4.585 1.00 0.00 N ATOM 605 CA ALA A 40 5.165 -13.976 3.909 1.00 0.00 C ATOM 606 C ALA A 40 4.248 -12.759 3.848 1.00 0.00 C ATOM 607 O ALA A 40 4.099 -12.033 4.830 1.00 0.00 O ATOM 608 CB ALA A 40 4.464 -15.132 4.610 1.00 0.00 C ATOM 0 H ALA A 40 6.355 -12.875 5.236 1.00 0.00 H new ATOM 0 HA ALA A 40 5.400 -14.273 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.531 -15.359 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.109 -16.011 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.249 -14.855 5.642 1.00 0.00 H new ATOM 614 N ALA A 41 3.638 -12.541 2.688 1.00 0.00 N ATOM 615 CA ALA A 41 2.664 -11.468 2.527 1.00 0.00 C ATOM 616 C ALA A 41 1.346 -12.001 1.975 1.00 0.00 C ATOM 617 O ALA A 41 1.332 -12.824 1.060 1.00 0.00 O ATOM 618 CB ALA A 41 3.220 -10.384 1.615 1.00 0.00 C ATOM 0 H ALA A 41 3.801 -13.093 1.846 1.00 0.00 H new ATOM 0 HA ALA A 41 2.469 -11.037 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.483 -9.589 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.132 -9.975 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.444 -10.811 0.637 1.00 0.00 H new ATOM 624 N THR A 42 0.239 -11.526 2.537 1.00 0.00 N ATOM 625 CA THR A 42 -1.084 -11.904 2.059 1.00 0.00 C ATOM 626 C THR A 42 -1.995 -10.688 1.939 1.00 0.00 C ATOM 627 O THR A 42 -1.915 -9.758 2.742 1.00 0.00 O ATOM 628 CB THR A 42 -1.745 -12.940 2.988 1.00 0.00 C ATOM 629 OG1 THR A 42 -2.035 -12.333 4.254 1.00 0.00 O ATOM 630 CG2 THR A 42 -0.824 -14.131 3.200 1.00 0.00 C ATOM 0 H THR A 42 0.233 -10.878 3.325 1.00 0.00 H new ATOM 0 HA THR A 42 -0.947 -12.349 1.073 1.00 0.00 H new ATOM 0 HB THR A 42 -2.668 -13.286 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.201 -12.194 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.308 -14.852 3.859 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.611 -14.602 2.240 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.108 -13.794 3.653 1.00 0.00 H new ATOM 638 N VAL A 43 -2.861 -10.700 0.931 1.00 0.00 N ATOM 639 CA VAL A 43 -3.873 -9.662 0.779 1.00 0.00 C ATOM 640 C VAL A 43 -5.251 -10.268 0.535 1.00 0.00 C ATOM 641 O VAL A 43 -5.426 -11.094 -0.359 1.00 0.00 O ATOM 642 CB VAL A 43 -3.531 -8.704 -0.378 1.00 0.00 C ATOM 643 CG1 VAL A 43 -4.611 -7.643 -0.528 1.00 0.00 C ATOM 644 CG2 VAL A 43 -2.176 -8.054 -0.148 1.00 0.00 C ATOM 0 H VAL A 43 -2.882 -11.418 0.207 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.888 -9.098 1.712 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.484 -9.282 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.353 -6.975 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.567 -8.124 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.688 -7.069 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.950 -7.381 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.197 -7.490 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.408 -8.825 -0.088 1.00 0.00 H new ATOM 654 N ASP A 44 -6.224 -9.852 1.339 1.00 0.00 N ATOM 655 CA ASP A 44 -7.610 -10.251 1.128 1.00 0.00 C ATOM 656 C ASP A 44 -8.382 -9.166 0.383 1.00 0.00 C ATOM 657 O ASP A 44 -8.786 -8.162 0.971 1.00 0.00 O ATOM 658 CB ASP A 44 -8.290 -10.560 2.464 1.00 0.00 C ATOM 659 CG ASP A 44 -9.741 -11.006 2.344 1.00 0.00 C ATOM 660 OD1 ASP A 44 -10.255 -10.999 1.251 1.00 0.00 O ATOM 661 OD2 ASP A 44 -10.272 -11.497 3.311 1.00 0.00 O ATOM 0 H ASP A 44 -6.078 -9.240 2.142 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.611 -11.154 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.724 -11.340 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.247 -9.671 3.094 1.00 0.00 H new ATOM 666 N LEU A 45 -8.581 -9.374 -0.913 1.00 0.00 N ATOM 667 CA LEU A 45 -9.166 -8.348 -1.771 1.00 0.00 C ATOM 668 C LEU A 45 -10.688 -8.430 -1.758 1.00 0.00 C ATOM 669 O LEU A 45 -11.303 -8.915 -2.708 1.00 0.00 O ATOM 670 CB LEU A 45 -8.634 -8.487 -3.204 1.00 0.00 C ATOM 671 CG LEU A 45 -9.060 -7.373 -4.169 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.643 -6.017 -3.617 1.00 0.00 C ATOM 673 CD2 LEU A 45 -8.433 -7.616 -5.534 1.00 0.00 C ATOM 0 H LEU A 45 -8.347 -10.243 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.877 -7.372 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.545 -8.519 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.968 -9.443 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.145 -7.379 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.950 -5.233 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.120 -5.855 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.560 -5.991 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.736 -6.825 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.347 -7.619 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.766 -8.579 -5.921 1.00 0.00 H new ATOM 685 N ARG A 46 -11.292 -7.951 -0.676 1.00 0.00 N ATOM 686 CA ARG A 46 -12.739 -7.783 -0.618 1.00 0.00 C ATOM 687 C ARG A 46 -13.130 -6.804 0.484 1.00 0.00 C ATOM 688 O ARG A 46 -12.485 -6.743 1.531 1.00 0.00 O ATOM 689 CB ARG A 46 -13.466 -9.112 -0.471 1.00 0.00 C ATOM 690 CG ARG A 46 -14.982 -9.020 -0.520 1.00 0.00 C ATOM 691 CD ARG A 46 -15.679 -10.327 -0.411 1.00 0.00 C ATOM 692 NE ARG A 46 -17.130 -10.237 -0.398 1.00 0.00 N ATOM 693 CZ ARG A 46 -17.963 -11.294 -0.475 1.00 0.00 C ATOM 694 NH1 ARG A 46 -17.497 -12.515 -0.608 1.00 0.00 N ATOM 695 NH2 ARG A 46 -19.264 -11.067 -0.437 1.00 0.00 N ATOM 0 H ARG A 46 -10.801 -7.672 0.174 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.055 -7.359 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.131 -9.782 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.174 -9.566 0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.321 -8.372 0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.275 -8.542 -1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.374 -10.958 -1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.350 -10.825 0.501 1.00 0.00 H new ATOM 0 HE ARG A 46 -17.547 -9.309 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.491 -12.675 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.142 -13.304 -0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -19.613 -10.112 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -19.920 -11.846 -0.493 1.00 0.00 H new ATOM 709 N GLU A 47 -14.190 -6.040 0.242 1.00 0.00 N ATOM 710 CA GLU A 47 -14.691 -5.091 1.230 1.00 0.00 C ATOM 711 C GLU A 47 -15.106 -5.809 2.510 1.00 0.00 C ATOM 712 O GLU A 47 -15.939 -6.715 2.485 1.00 0.00 O ATOM 713 CB GLU A 47 -15.869 -4.296 0.664 1.00 0.00 C ATOM 714 CG GLU A 47 -16.319 -3.132 1.536 1.00 0.00 C ATOM 715 CD GLU A 47 -17.291 -2.247 0.806 1.00 0.00 C ATOM 716 OE1 GLU A 47 -16.925 -1.704 -0.208 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.433 -2.202 1.200 1.00 0.00 O ATOM 0 H GLU A 47 -14.719 -6.059 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.885 -4.397 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.594 -3.913 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.711 -4.972 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.784 -3.514 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.451 -2.548 1.843 1.00 0.00 H new ATOM 724 N GLY A 48 -14.519 -5.398 3.630 1.00 0.00 N ATOM 725 CA GLY A 48 -14.752 -6.086 4.886 1.00 0.00 C ATOM 726 C GLY A 48 -13.742 -7.188 5.138 1.00 0.00 C ATOM 727 O GLY A 48 -13.679 -7.743 6.235 1.00 0.00 O ATOM 0 H GLY A 48 -13.886 -4.600 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.712 -5.367 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.756 -6.511 4.884 1.00 0.00 H new ATOM 731 N GLY A 49 -12.950 -7.509 4.119 1.00 0.00 N ATOM 732 CA GLY A 49 -12.006 -8.605 4.228 1.00 0.00 C ATOM 733 C GLY A 49 -10.798 -8.248 5.072 1.00 0.00 C ATOM 734 O GLY A 49 -10.424 -7.080 5.168 1.00 0.00 O ATOM 0 H GLY A 49 -12.946 -7.029 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.507 -9.470 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.676 -8.896 3.231 1.00 0.00 H new ATOM 738 N ALA A 50 -10.188 -9.257 5.686 1.00 0.00 N ATOM 739 CA ALA A 50 -9.085 -9.033 6.612 1.00 0.00 C ATOM 740 C ALA A 50 -7.864 -9.858 6.220 1.00 0.00 C ATOM 741 O ALA A 50 -7.991 -10.987 5.747 1.00 0.00 O ATOM 742 CB ALA A 50 -9.514 -9.362 8.034 1.00 0.00 C ATOM 0 H ALA A 50 -10.439 -10.237 5.559 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.810 -7.979 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.680 -9.190 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.352 -8.725 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.818 -10.407 8.090 1.00 0.00 H new ATOM 748 N PHE A 51 -6.681 -9.287 6.420 1.00 0.00 N ATOM 749 CA PHE A 51 -5.439 -9.940 6.022 1.00 0.00 C ATOM 750 C PHE A 51 -4.287 -9.518 6.929 1.00 0.00 C ATOM 751 O PHE A 51 -4.382 -8.524 7.648 1.00 0.00 O ATOM 752 CB PHE A 51 -5.109 -9.618 4.563 1.00 0.00 C ATOM 753 CG PHE A 51 -4.969 -8.149 4.283 1.00 0.00 C ATOM 754 CD1 PHE A 51 -6.084 -7.367 4.025 1.00 0.00 C ATOM 755 CD2 PHE A 51 -3.720 -7.545 4.279 1.00 0.00 C ATOM 756 CE1 PHE A 51 -5.957 -6.016 3.766 1.00 0.00 C ATOM 757 CE2 PHE A 51 -3.590 -6.193 4.022 1.00 0.00 C ATOM 758 CZ PHE A 51 -4.708 -5.429 3.765 1.00 0.00 C ATOM 0 H PHE A 51 -6.556 -8.373 6.855 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.576 -11.017 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.181 -10.120 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.892 -10.027 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.065 -7.820 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.840 -8.138 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.835 -5.420 3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.612 -5.735 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.607 -4.373 3.563 1.00 0.00 H new ATOM 768 N SER A 52 -3.200 -10.282 6.889 1.00 0.00 N ATOM 769 CA SER A 52 -2.010 -9.959 7.668 1.00 0.00 C ATOM 770 C SER A 52 -0.746 -10.401 6.936 1.00 0.00 C ATOM 771 O SER A 52 -0.686 -11.499 6.386 1.00 0.00 O ATOM 772 CB SER A 52 -2.085 -10.609 9.036 1.00 0.00 C ATOM 773 OG SER A 52 -0.944 -10.349 9.806 1.00 0.00 O ATOM 0 H SER A 52 -3.119 -11.129 6.326 1.00 0.00 H new ATOM 0 HA SER A 52 -1.967 -8.877 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.968 -10.245 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.205 -11.686 8.919 1.00 0.00 H new ATOM 0 HG SER A 52 -0.566 -9.483 9.548 1.00 0.00 H new ATOM 779 N SER A 53 0.262 -9.534 6.935 1.00 0.00 N ATOM 780 CA SER A 53 1.554 -9.865 6.345 1.00 0.00 C ATOM 781 C SER A 53 2.676 -9.697 7.364 1.00 0.00 C ATOM 782 O SER A 53 2.707 -8.722 8.115 1.00 0.00 O ATOM 783 CB SER A 53 1.809 -8.999 5.126 1.00 0.00 C ATOM 784 OG SER A 53 0.840 -9.190 4.132 1.00 0.00 O ATOM 0 H SER A 53 0.209 -8.598 7.336 1.00 0.00 H new ATOM 0 HA SER A 53 1.533 -10.910 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.821 -7.950 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.794 -9.227 4.720 1.00 0.00 H new ATOM 0 HG SER A 53 1.040 -8.613 3.365 1.00 0.00 H new ATOM 790 N ARG A 54 3.597 -10.656 7.385 1.00 0.00 N ATOM 791 CA ARG A 54 4.586 -10.742 8.452 1.00 0.00 C ATOM 792 C ARG A 54 5.963 -11.083 7.891 1.00 0.00 C ATOM 793 O ARG A 54 6.085 -11.878 6.959 1.00 0.00 O ATOM 794 CB ARG A 54 4.170 -11.715 9.545 1.00 0.00 C ATOM 795 CG ARG A 54 3.980 -13.151 9.085 1.00 0.00 C ATOM 796 CD ARG A 54 3.400 -14.052 10.113 1.00 0.00 C ATOM 797 NE ARG A 54 4.292 -14.356 11.220 1.00 0.00 N ATOM 798 CZ ARG A 54 3.969 -15.136 12.271 1.00 0.00 C ATOM 799 NH1 ARG A 54 2.768 -15.661 12.382 1.00 0.00 N ATOM 800 NH2 ARG A 54 4.885 -15.340 13.202 1.00 0.00 N ATOM 0 H ARG A 54 3.678 -11.384 6.675 1.00 0.00 H new ATOM 0 HA ARG A 54 4.646 -9.759 8.918 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.923 -11.698 10.333 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.238 -11.364 9.988 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.333 -13.156 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.945 -13.550 8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.493 -13.595 10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.104 -14.986 9.635 1.00 0.00 H new ATOM 0 HE ARG A 54 5.228 -13.951 11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.064 -15.480 11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.541 -16.249 13.184 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.807 -14.912 13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.670 -15.926 14.009 1.00 0.00 H new ATOM 814 N MET A 55 6.997 -10.476 8.464 1.00 0.00 N ATOM 815 CA MET A 55 8.372 -10.866 8.169 1.00 0.00 C ATOM 816 C MET A 55 9.077 -11.366 9.424 1.00 0.00 C ATOM 817 O MET A 55 8.865 -10.842 10.517 1.00 0.00 O ATOM 818 CB MET A 55 9.137 -9.691 7.564 1.00 0.00 C ATOM 819 CG MET A 55 8.694 -9.308 6.158 1.00 0.00 C ATOM 820 SD MET A 55 9.617 -7.907 5.496 1.00 0.00 S ATOM 821 CE MET A 55 11.235 -8.641 5.274 1.00 0.00 C ATOM 0 H MET A 55 6.910 -9.713 9.135 1.00 0.00 H new ATOM 0 HA MET A 55 8.347 -11.681 7.445 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.023 -8.825 8.216 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.199 -9.937 7.543 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.818 -10.165 5.496 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.631 -9.065 6.170 1.00 0.00 H new ATOM 0 HE1 MET A 55 11.974 -8.068 5.833 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.221 -9.668 5.638 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.496 -8.634 4.216 1.00 0.00 H new ATOM 831 N GLU A 56 9.917 -12.385 9.260 1.00 0.00 N ATOM 832 CA GLU A 56 10.593 -13.006 10.393 1.00 0.00 C ATOM 833 C GLU A 56 12.100 -13.067 10.160 1.00 0.00 C ATOM 834 O GLU A 56 12.561 -13.145 9.021 1.00 0.00 O ATOM 835 CB GLU A 56 10.041 -14.411 10.644 1.00 0.00 C ATOM 836 CG GLU A 56 8.526 -14.477 10.773 1.00 0.00 C ATOM 837 CD GLU A 56 8.066 -13.938 12.099 1.00 0.00 C ATOM 838 OE1 GLU A 56 8.896 -13.714 12.947 1.00 0.00 O ATOM 839 OE2 GLU A 56 6.901 -13.645 12.227 1.00 0.00 O ATOM 0 H GLU A 56 10.145 -12.797 8.355 1.00 0.00 H new ATOM 0 HA GLU A 56 10.405 -12.393 11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.353 -15.062 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.489 -14.807 11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.065 -13.906 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.194 -15.509 10.663 1.00 0.00 H new ATOM 846 N ALA A 57 12.863 -13.030 11.247 1.00 0.00 N ATOM 847 CA ALA A 57 14.318 -13.037 11.161 1.00 0.00 C ATOM 848 C ALA A 57 14.897 -14.315 11.759 1.00 0.00 C ATOM 849 O ALA A 57 14.593 -14.673 12.897 1.00 0.00 O ATOM 850 CB ALA A 57 14.894 -11.815 11.861 1.00 0.00 C ATOM 0 H ALA A 57 12.497 -12.995 12.199 1.00 0.00 H new ATOM 0 HA ALA A 57 14.596 -13.002 10.108 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.981 -11.833 11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.514 -10.911 11.386 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.600 -11.824 12.910 1.00 0.00 H new ATOM 856 N LYS A 58 15.734 -14.997 10.985 1.00 0.00 N ATOM 857 CA LYS A 58 16.421 -16.190 11.467 1.00 0.00 C ATOM 858 C LYS A 58 17.638 -15.815 12.307 1.00 0.00 C ATOM 859 O LYS A 58 17.963 -16.493 13.281 1.00 0.00 O ATOM 860 CB LYS A 58 16.842 -17.078 10.295 1.00 0.00 C ATOM 861 CG LYS A 58 17.511 -18.384 10.704 1.00 0.00 C ATOM 862 CD LYS A 58 17.766 -19.277 9.499 1.00 0.00 C ATOM 863 CE LYS A 58 18.442 -20.578 9.905 1.00 0.00 C ATOM 864 NZ LYS A 58 18.646 -21.485 8.744 1.00 0.00 N ATOM 0 H LYS A 58 15.953 -14.744 10.021 1.00 0.00 H new ATOM 0 HA LYS A 58 15.727 -16.747 12.097 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.962 -17.307 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.526 -16.518 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.454 -18.170 11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.880 -18.909 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.822 -19.496 9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.392 -18.749 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.405 -20.358 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.836 -21.082 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.109 -22.360 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.726 -21.716 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.246 -21.014 8.037 1.00 0.00 H new ATOM 878 N ASP A 59 18.304 -14.731 11.925 1.00 0.00 N ATOM 879 CA ASP A 59 19.536 -14.318 12.585 1.00 0.00 C ATOM 880 C ASP A 59 19.338 -13.003 13.334 1.00 0.00 C ATOM 881 O ASP A 59 20.116 -12.660 14.222 1.00 0.00 O ATOM 882 CB ASP A 59 20.671 -14.180 11.567 1.00 0.00 C ATOM 883 CG ASP A 59 20.998 -15.462 10.813 1.00 0.00 C ATOM 884 OD1 ASP A 59 21.227 -16.462 11.451 1.00 0.00 O ATOM 885 OD2 ASP A 59 20.863 -15.472 9.613 1.00 0.00 O ATOM 0 H ASP A 59 18.011 -14.122 11.161 1.00 0.00 H new ATOM 0 HA ASP A 59 19.805 -15.088 13.308 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.405 -13.407 10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.567 -13.838 12.084 1.00 0.00 H new ATOM 890 N GLY A 60 18.290 -12.271 12.966 1.00 0.00 N ATOM 891 CA GLY A 60 18.048 -10.971 13.565 1.00 0.00 C ATOM 892 C GLY A 60 18.265 -9.833 12.588 1.00 0.00 C ATOM 893 O GLY A 60 18.770 -8.775 12.961 1.00 0.00 O ATOM 0 H GLY A 60 17.606 -12.555 12.265 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.026 -10.933 13.942 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.709 -10.841 14.422 1.00 0.00 H new ATOM 897 N SER A 61 17.882 -10.050 11.334 1.00 0.00 N ATOM 898 CA SER A 61 18.150 -9.084 10.275 1.00 0.00 C ATOM 899 C SER A 61 17.000 -8.091 10.142 1.00 0.00 C ATOM 900 O SER A 61 17.209 -6.878 10.151 1.00 0.00 O ATOM 901 CB SER A 61 18.387 -9.801 8.960 1.00 0.00 C ATOM 902 OG SER A 61 19.529 -10.612 9.001 1.00 0.00 O ATOM 0 H SER A 61 17.385 -10.886 11.026 1.00 0.00 H new ATOM 0 HA SER A 61 19.049 -8.527 10.538 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.517 -10.412 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 61 18.492 -9.067 8.161 1.00 0.00 H new ATOM 0 HG SER A 61 19.265 -11.553 8.922 1.00 0.00 H new ATOM 908 N MET A 62 15.785 -8.616 10.017 1.00 0.00 N ATOM 909 CA MET A 62 14.600 -7.776 9.879 1.00 0.00 C ATOM 910 C MET A 62 13.332 -8.572 10.168 1.00 0.00 C ATOM 911 O MET A 62 13.337 -9.802 10.130 1.00 0.00 O ATOM 912 CB MET A 62 14.540 -7.171 8.478 1.00 0.00 C ATOM 913 CG MET A 62 14.428 -8.193 7.355 1.00 0.00 C ATOM 914 SD MET A 62 14.633 -7.456 5.722 1.00 0.00 S ATOM 915 CE MET A 62 16.398 -7.159 5.703 1.00 0.00 C ATOM 0 H MET A 62 15.595 -9.618 10.008 1.00 0.00 H new ATOM 0 HA MET A 62 14.668 -6.968 10.608 1.00 0.00 H new ATOM 0 HB2 MET A 62 13.687 -6.495 8.424 1.00 0.00 H new ATOM 0 HB3 MET A 62 15.434 -6.569 8.317 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.182 -8.967 7.497 1.00 0.00 H new ATOM 0 HG3 MET A 62 13.455 -8.682 7.409 1.00 0.00 H new ATOM 0 HE1 MET A 62 16.722 -6.959 4.682 1.00 0.00 H new ATOM 0 HE2 MET A 62 16.629 -6.299 6.332 1.00 0.00 H new ATOM 0 HE3 MET A 62 16.919 -8.038 6.083 1.00 0.00 H new ATOM 925 N GLY A 63 12.246 -7.863 10.459 1.00 0.00 N ATOM 926 CA GLY A 63 10.970 -8.518 10.684 1.00 0.00 C ATOM 927 C GLY A 63 9.925 -7.573 11.243 1.00 0.00 C ATOM 928 O GLY A 63 10.257 -6.519 11.786 1.00 0.00 O ATOM 0 H GLY A 63 12.227 -6.847 10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.610 -8.939 9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.109 -9.351 11.374 1.00 0.00 H new ATOM 932 N PHE A 64 8.657 -7.949 11.110 1.00 0.00 N ATOM 933 CA PHE A 64 7.560 -7.132 11.613 1.00 0.00 C ATOM 934 C PHE A 64 6.220 -7.828 11.397 1.00 0.00 C ATOM 935 O PHE A 64 6.123 -8.790 10.634 1.00 0.00 O ATOM 936 CB PHE A 64 7.559 -5.760 10.936 1.00 0.00 C ATOM 937 CG PHE A 64 7.340 -5.817 9.451 1.00 0.00 C ATOM 938 CD1 PHE A 64 6.078 -6.062 8.931 1.00 0.00 C ATOM 939 CD2 PHE A 64 8.396 -5.628 8.572 1.00 0.00 C ATOM 940 CE1 PHE A 64 5.876 -6.115 7.564 1.00 0.00 C ATOM 941 CE2 PHE A 64 8.196 -5.679 7.206 1.00 0.00 C ATOM 942 CZ PHE A 64 6.934 -5.924 6.702 1.00 0.00 C ATOM 0 H PHE A 64 8.364 -8.815 10.658 1.00 0.00 H new ATOM 0 HA PHE A 64 7.706 -6.994 12.684 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.780 -5.144 11.385 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.510 -5.266 11.135 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.244 -6.213 9.601 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.386 -5.439 8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.888 -6.306 7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.027 -5.527 6.532 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.776 -5.966 5.634 1.00 0.00 H new ATOM 952 N ASP A 65 5.188 -7.337 12.075 1.00 0.00 N ATOM 953 CA ASP A 65 3.842 -7.872 11.914 1.00 0.00 C ATOM 954 C ASP A 65 2.857 -6.766 11.548 1.00 0.00 C ATOM 955 O ASP A 65 2.614 -5.850 12.335 1.00 0.00 O ATOM 956 CB ASP A 65 3.389 -8.581 13.193 1.00 0.00 C ATOM 957 CG ASP A 65 2.019 -9.238 13.096 1.00 0.00 C ATOM 958 OD1 ASP A 65 1.362 -9.053 12.098 1.00 0.00 O ATOM 959 OD2 ASP A 65 1.707 -10.042 13.942 1.00 0.00 O ATOM 0 H ASP A 65 5.259 -6.568 12.742 1.00 0.00 H new ATOM 0 HA ASP A 65 3.863 -8.597 11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.126 -9.341 13.453 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.375 -7.859 14.009 1.00 0.00 H new ATOM 964 N PHE A 66 2.294 -6.855 10.347 1.00 0.00 N ATOM 965 CA PHE A 66 1.323 -5.871 9.884 1.00 0.00 C ATOM 966 C PHE A 66 0.000 -6.540 9.525 1.00 0.00 C ATOM 967 O PHE A 66 -0.032 -7.521 8.783 1.00 0.00 O ATOM 968 CB PHE A 66 1.872 -5.103 8.680 1.00 0.00 C ATOM 969 CG PHE A 66 0.927 -4.066 8.141 1.00 0.00 C ATOM 970 CD1 PHE A 66 0.853 -2.808 8.719 1.00 0.00 C ATOM 971 CD2 PHE A 66 0.112 -4.348 7.055 1.00 0.00 C ATOM 972 CE1 PHE A 66 -0.015 -1.853 8.224 1.00 0.00 C ATOM 973 CE2 PHE A 66 -0.757 -3.395 6.558 1.00 0.00 C ATOM 974 CZ PHE A 66 -0.820 -2.147 7.143 1.00 0.00 C ATOM 0 H PHE A 66 2.494 -7.598 9.677 1.00 0.00 H new ATOM 0 HA PHE A 66 1.142 -5.167 10.696 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.805 -4.618 8.965 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.110 -5.811 7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.481 -2.572 9.566 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.157 -5.323 6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.063 -0.877 8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.387 -3.627 5.712 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.498 -1.402 6.755 1.00 0.00 H new ATOM 984 N ALA A 67 -1.092 -6.002 10.059 1.00 0.00 N ATOM 985 CA ALA A 67 -2.424 -6.507 9.746 1.00 0.00 C ATOM 986 C ALA A 67 -3.361 -5.372 9.348 1.00 0.00 C ATOM 987 O ALA A 67 -3.264 -4.262 9.869 1.00 0.00 O ATOM 988 CB ALA A 67 -2.991 -7.270 10.933 1.00 0.00 C ATOM 0 H ALA A 67 -1.081 -5.217 10.710 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.338 -7.187 8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.985 -7.641 10.685 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.339 -8.110 11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.056 -6.606 11.795 1.00 0.00 H new ATOM 994 N GLY A 68 -4.269 -5.658 8.419 1.00 0.00 N ATOM 995 CA GLY A 68 -5.235 -4.662 7.995 1.00 0.00 C ATOM 996 C GLY A 68 -6.529 -5.281 7.506 1.00 0.00 C ATOM 997 O GLY A 68 -6.559 -6.446 7.109 1.00 0.00 O ATOM 0 H GLY A 68 -4.352 -6.562 7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.449 -3.990 8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.802 -4.056 7.199 1.00 0.00 H new ATOM 1001 N THR A 69 -7.606 -4.501 7.536 1.00 0.00 N ATOM 1002 CA THR A 69 -8.894 -4.956 7.029 1.00 0.00 C ATOM 1003 C THR A 69 -9.598 -3.853 6.247 1.00 0.00 C ATOM 1004 O THR A 69 -9.525 -2.678 6.608 1.00 0.00 O ATOM 1005 CB THR A 69 -9.813 -5.431 8.170 1.00 0.00 C ATOM 1006 OG1 THR A 69 -11.038 -5.934 7.621 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.120 -4.284 9.120 1.00 0.00 C ATOM 0 H THR A 69 -7.611 -3.551 7.907 1.00 0.00 H new ATOM 0 HA THR A 69 -8.692 -5.796 6.364 1.00 0.00 H new ATOM 0 HB THR A 69 -9.303 -6.220 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.866 -6.318 6.736 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.770 -4.638 9.920 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.191 -3.907 9.548 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.619 -3.483 8.574 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.280 -4.239 5.173 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.928 -3.274 4.294 1.00 0.00 C ATOM 1017 C TYR A 70 -12.276 -2.839 4.859 1.00 0.00 C ATOM 1018 O TYR A 70 -13.019 -3.647 5.418 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.110 -3.864 2.893 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.818 -4.031 2.125 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.642 -3.449 2.575 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.777 -4.771 0.953 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.458 -3.597 1.877 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.600 -4.927 0.248 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.442 -4.338 0.713 1.00 0.00 C ATOM 1026 OH TYR A 70 -6.267 -4.491 0.014 1.00 0.00 O ATOM 0 H TYR A 70 -10.398 -5.212 4.891 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.285 -2.396 4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.598 -4.835 2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.780 -3.220 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.652 -2.870 3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.681 -5.233 0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.552 -3.136 2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.586 -5.507 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.428 -5.041 -0.781 1.00 0.00 H new ATOM 1036 N THR A 71 -12.587 -1.555 4.711 1.00 0.00 N ATOM 1037 CA THR A 71 -13.859 -1.018 5.176 1.00 0.00 C ATOM 1038 C THR A 71 -14.744 -0.610 4.004 1.00 0.00 C ATOM 1039 O THR A 71 -15.972 -0.643 4.098 1.00 0.00 O ATOM 1040 CB THR A 71 -13.655 0.197 6.101 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.048 1.265 5.364 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.765 -0.172 7.278 1.00 0.00 C ATOM 0 H THR A 71 -11.974 -0.868 4.272 1.00 0.00 H new ATOM 0 HA THR A 71 -14.350 -1.812 5.739 1.00 0.00 H new ATOM 0 HB THR A 71 -14.627 0.514 6.479 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.561 0.898 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.632 0.698 7.920 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.230 -0.976 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.794 -0.503 6.910 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.115 -0.227 2.898 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.838 0.328 1.760 1.00 0.00 C ATOM 1052 C LYS A 72 -13.991 0.262 0.493 1.00 0.00 C ATOM 1053 O LYS A 72 -12.793 0.547 0.520 1.00 0.00 O ATOM 1054 CB LYS A 72 -15.256 1.773 2.042 1.00 0.00 C ATOM 1055 CG LYS A 72 -16.184 2.374 0.995 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.630 3.774 1.391 1.00 0.00 C ATOM 1057 CE LYS A 72 -17.685 4.311 0.434 1.00 0.00 C ATOM 1058 NZ LYS A 72 -18.134 5.678 0.811 1.00 0.00 N ATOM 0 H LYS A 72 -13.106 -0.291 2.766 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.735 -0.272 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.749 1.813 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.360 2.390 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.674 2.411 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.057 1.734 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.031 3.757 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.770 4.443 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.281 4.328 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.542 3.638 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.852 6.007 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.543 5.658 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.321 6.327 0.796 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.620 -0.112 -0.616 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.969 -0.057 -1.920 1.00 0.00 C ATOM 1074 C VAL A 73 -14.927 0.451 -2.992 1.00 0.00 C ATOM 1075 O VAL A 73 -16.077 0.017 -3.067 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.428 -1.436 -2.341 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.556 -2.024 -1.241 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -14.574 -2.380 -2.671 1.00 0.00 C ATOM 0 H VAL A 73 -15.580 -0.456 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.133 0.636 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.818 -1.308 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.182 -2.998 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.715 -1.358 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.145 -2.138 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.173 -3.350 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.209 -2.502 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.162 -1.966 -3.490 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.447 1.373 -3.819 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.301 2.056 -4.783 1.00 0.00 C ATOM 1090 C VAL A 74 -14.653 2.094 -6.162 1.00 0.00 C ATOM 1091 O VAL A 74 -13.502 2.506 -6.306 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.620 3.495 -4.336 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.483 4.196 -5.374 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.315 3.490 -2.982 1.00 0.00 C ATOM 0 H VAL A 74 -13.470 1.665 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.230 1.489 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.682 4.042 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.699 5.212 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.952 4.230 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.417 3.649 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.533 4.515 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.245 2.927 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.665 3.025 -2.241 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.400 1.662 -7.173 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.971 1.814 -8.559 1.00 0.00 C ATOM 1106 C GLU A 75 -13.528 1.351 -8.735 1.00 0.00 C ATOM 1107 O GLU A 75 -12.788 1.893 -9.556 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.118 3.269 -9.010 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.556 3.766 -9.072 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.619 5.204 -9.506 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.582 5.793 -9.694 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.700 5.680 -9.759 1.00 0.00 O ATOM 0 H GLU A 75 -16.304 1.204 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.611 1.188 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.555 3.907 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.666 3.379 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.127 3.149 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.023 3.659 -8.093 1.00 0.00 H new ATOM 1119 N ASN A 76 -13.136 0.346 -7.959 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.751 -0.113 -7.944 1.00 0.00 C ATOM 1121 C ASN A 76 -10.787 1.070 -7.948 1.00 0.00 C ATOM 1122 O ASN A 76 -9.789 1.070 -8.670 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.458 -1.037 -9.112 1.00 0.00 C ATOM 1124 CG ASN A 76 -12.360 -2.238 -9.174 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -12.373 -3.077 -8.266 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -13.053 -2.368 -10.276 1.00 0.00 N ATOM 0 H ASN A 76 -13.757 -0.166 -7.333 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.605 -0.679 -7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.552 -0.475 -10.041 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.423 -1.374 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.639 -3.191 -10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.007 -1.646 -10.995 1.00 0.00 H new ATOM 1133 N LYS A 77 -11.091 2.077 -7.137 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.556 3.417 -7.346 1.00 0.00 C ATOM 1135 C LYS A 77 -10.407 4.158 -6.022 1.00 0.00 C ATOM 1136 O LYS A 77 -9.513 4.990 -5.862 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.454 4.212 -8.297 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.968 5.626 -8.585 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.885 6.336 -9.570 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.381 7.736 -9.887 1.00 0.00 C ATOM 1141 NZ LYS A 77 -12.277 8.448 -10.838 1.00 0.00 N ATOM 0 H LYS A 77 -11.706 1.990 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.568 3.317 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.535 3.670 -9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.456 4.265 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.921 6.193 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.956 5.590 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.953 5.755 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.891 6.395 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.302 8.311 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.379 7.673 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.898 9.398 -11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.333 7.914 -11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.227 8.531 -10.424 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.286 3.848 -5.074 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.250 4.483 -3.762 1.00 0.00 C ATOM 1157 C ARG A 78 -11.455 3.454 -2.654 1.00 0.00 C ATOM 1158 O ARG A 78 -12.469 2.756 -2.623 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.242 5.631 -3.651 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.840 6.897 -4.391 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.874 7.964 -4.386 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.434 9.233 -4.943 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.250 10.266 -5.232 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.549 10.173 -5.053 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -12.711 11.368 -5.722 1.00 0.00 N ATOM 0 H ARG A 78 -12.031 3.161 -5.190 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.258 4.917 -3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.207 5.296 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.381 5.872 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.927 7.290 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.605 6.641 -5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.740 7.616 -4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.205 8.127 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.438 9.350 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.953 9.310 -4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.153 10.964 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.703 11.420 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.302 12.167 -5.951 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.488 3.368 -1.748 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.447 2.282 -0.776 1.00 0.00 C ATOM 1181 C ILE A 79 -10.005 2.786 0.593 1.00 0.00 C ATOM 1182 O ILE A 79 -9.006 3.495 0.711 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.503 1.153 -1.228 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.475 0.031 -0.187 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -8.103 1.696 -1.468 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.818 -1.240 -0.677 1.00 0.00 C ATOM 0 H ILE A 79 -9.722 4.037 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.460 1.886 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.877 0.742 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.947 0.383 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.497 -0.194 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.448 0.885 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.137 2.461 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.719 2.131 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.836 -1.988 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.359 -1.618 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.785 -1.032 -0.955 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.754 2.413 1.626 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.393 2.758 2.996 1.00 0.00 C ATOM 1200 C GLU A 80 -10.279 1.507 3.861 1.00 0.00 C ATOM 1201 O GLU A 80 -11.101 0.596 3.765 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.419 3.723 3.595 1.00 0.00 C ATOM 1203 CG GLU A 80 -11.110 4.164 5.018 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.125 5.157 5.514 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -13.060 5.429 4.800 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -12.027 5.558 6.650 1.00 0.00 O ATOM 0 H GLU A 80 -11.614 1.872 1.540 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.420 3.250 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.483 4.606 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.400 3.247 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.097 3.295 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.115 4.608 5.056 1.00 0.00 H new ATOM 1213 N TYR A 81 -9.254 1.470 4.706 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.980 0.295 5.523 1.00 0.00 C ATOM 1215 C TYR A 81 -8.384 0.695 6.870 1.00 0.00 C ATOM 1216 O TYR A 81 -7.931 1.825 7.049 1.00 0.00 O ATOM 1217 CB TYR A 81 -8.035 -0.659 4.790 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.643 -0.104 4.582 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.348 0.678 3.475 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.628 -0.364 5.491 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -5.080 1.188 3.279 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.356 0.141 5.306 1.00 0.00 C ATOM 1223 CZ TYR A 81 -4.086 0.917 4.197 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.820 1.422 4.006 1.00 0.00 O ATOM 0 H TYR A 81 -8.600 2.241 4.842 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.925 -0.217 5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.964 -1.589 5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.465 -0.907 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.123 0.892 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.836 -0.972 6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.867 1.796 2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.578 -0.070 6.024 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.240 1.139 4.744 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.390 -0.241 7.813 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.829 0.005 9.136 1.00 0.00 C ATOM 1236 C ALA A 82 -6.710 -0.981 9.451 1.00 0.00 C ATOM 1237 O ALA A 82 -6.791 -2.159 9.104 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.919 -0.076 10.195 1.00 0.00 C ATOM 0 H ALA A 82 -8.777 -1.176 7.686 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.405 1.009 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.486 0.110 11.178 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.684 0.673 9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.369 -1.069 10.179 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.664 -0.492 10.108 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.489 -1.307 10.391 1.00 0.00 C ATOM 1246 C PHE A 83 -3.969 -1.043 11.801 1.00 0.00 C ATOM 1247 O PHE A 83 -3.347 -0.014 12.064 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.389 -1.037 9.362 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.833 0.357 9.422 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.770 0.660 10.259 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -3.372 1.369 8.642 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -1.258 1.943 10.315 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -2.862 2.651 8.694 1.00 0.00 C ATOM 1254 CZ PHE A 83 -1.803 2.938 9.533 1.00 0.00 C ATOM 0 H PHE A 83 -5.606 0.466 10.455 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.781 -2.355 10.325 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.578 -1.749 9.516 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.786 -1.217 8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.337 -0.115 10.874 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.201 1.152 7.985 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.430 2.166 10.972 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.291 3.429 8.079 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.403 3.940 9.576 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.229 -1.982 12.707 1.00 0.00 N ATOM 1265 CA GLY A 84 -3.903 -1.774 14.105 1.00 0.00 C ATOM 1266 C GLY A 84 -4.748 -0.689 14.743 1.00 0.00 C ATOM 1267 O GLY A 84 -5.977 -0.733 14.682 1.00 0.00 O ATOM 0 H GLY A 84 -4.660 -2.882 12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.044 -2.707 14.650 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.849 -1.509 14.194 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.089 0.288 15.358 1.00 0.00 N ATOM 1272 CA ASP A 85 -4.788 1.382 16.021 1.00 0.00 C ATOM 1273 C ASP A 85 -4.772 2.639 15.158 1.00 0.00 C ATOM 1274 O ASP A 85 -4.988 3.746 15.652 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.162 1.671 17.388 1.00 0.00 C ATOM 1276 CG ASP A 85 -2.696 2.082 17.333 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -2.133 2.060 16.265 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -2.198 2.562 18.323 1.00 0.00 O ATOM 0 H ASP A 85 -3.072 0.344 15.411 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.825 1.079 16.169 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.731 2.463 17.875 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.255 0.782 18.012 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.516 2.461 13.866 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.556 3.569 12.919 1.00 0.00 C ATOM 1285 C ARG A 86 -5.347 3.190 11.672 1.00 0.00 C ATOM 1286 O ARG A 86 -5.713 2.029 11.483 1.00 0.00 O ATOM 1287 CB ARG A 86 -3.165 4.076 12.568 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.380 4.651 13.736 1.00 0.00 C ATOM 1289 CD ARG A 86 -2.913 5.935 14.259 1.00 0.00 C ATOM 1290 NE ARG A 86 -2.093 6.554 15.287 1.00 0.00 N ATOM 1291 CZ ARG A 86 -2.155 6.255 16.599 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -3.021 5.376 17.053 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -1.338 6.887 17.424 1.00 0.00 N ATOM 0 H ARG A 86 -4.279 1.560 13.451 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.073 4.395 13.407 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.594 3.255 12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.257 4.842 11.798 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.367 3.920 14.545 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.346 4.800 13.425 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.022 6.634 13.429 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.911 5.762 14.663 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.423 7.265 14.994 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.659 4.909 16.409 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.055 5.161 18.050 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.683 7.580 17.062 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.362 6.681 18.423 1.00 0.00 H new ATOM 1307 N THR A 87 -5.609 4.177 10.820 1.00 0.00 N ATOM 1308 CA THR A 87 -6.401 3.957 9.616 1.00 0.00 C ATOM 1309 C THR A 87 -5.756 4.623 8.406 1.00 0.00 C ATOM 1310 O THR A 87 -4.933 5.528 8.548 1.00 0.00 O ATOM 1311 CB THR A 87 -7.837 4.489 9.779 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.804 5.909 9.971 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.516 3.835 10.972 1.00 0.00 C ATOM 0 H THR A 87 -5.284 5.136 10.942 1.00 0.00 H new ATOM 0 HA THR A 87 -6.440 2.879 9.457 1.00 0.00 H new ATOM 0 HB THR A 87 -8.401 4.250 8.878 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.718 6.247 10.073 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.530 4.223 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.554 2.756 10.823 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.952 4.056 11.878 1.00 0.00 H new ATOM 1321 N ALA A 88 -6.135 4.171 7.215 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.588 4.719 5.980 1.00 0.00 C ATOM 1323 C ALA A 88 -6.617 4.673 4.856 1.00 0.00 C ATOM 1324 O ALA A 88 -7.527 3.844 4.866 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.331 3.962 5.578 1.00 0.00 C ATOM 0 H ALA A 88 -6.819 3.426 7.079 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.329 5.763 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.933 4.382 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.585 4.051 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.573 2.910 5.424 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.469 5.571 3.888 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.329 5.576 2.710 1.00 0.00 C ATOM 1333 C LYS A 89 -6.518 5.842 1.446 1.00 0.00 C ATOM 1334 O LYS A 89 -5.725 6.784 1.391 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.437 6.620 2.857 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.478 6.592 1.746 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.619 7.558 2.033 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.650 7.546 0.914 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.793 8.454 1.201 1.00 0.00 N ATOM 0 H LYS A 89 -5.761 6.305 3.896 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.787 4.591 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.939 6.468 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.984 7.611 2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.008 6.852 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.872 5.581 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.098 7.289 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.223 8.566 2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.175 7.845 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.020 6.531 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.472 8.416 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.263 8.154 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.444 9.428 1.311 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.721 5.007 0.431 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.975 5.125 -0.817 1.00 0.00 C ATOM 1355 C VAL A 90 -6.896 5.493 -1.974 1.00 0.00 C ATOM 1356 O VAL A 90 -7.979 4.928 -2.123 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.234 3.819 -1.158 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.390 3.997 -2.411 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.364 3.379 0.010 1.00 0.00 C ATOM 0 H VAL A 90 -7.395 4.242 0.449 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.242 5.919 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.975 3.043 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.873 3.064 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.034 4.267 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.657 4.787 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.848 2.454 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.631 4.155 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.989 3.212 0.887 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.458 6.446 -2.792 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.234 6.873 -3.951 1.00 0.00 C ATOM 1371 C GLU A 91 -6.414 6.737 -5.232 1.00 0.00 C ATOM 1372 O GLU A 91 -5.210 6.993 -5.242 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.709 8.317 -3.778 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.570 8.837 -4.920 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.127 10.198 -4.609 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.638 10.825 -3.700 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.963 10.659 -5.349 1.00 0.00 O ATOM 0 H GLU A 91 -5.571 6.936 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.107 6.226 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.275 8.392 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.837 8.963 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.976 8.885 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.388 8.141 -5.107 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.077 6.334 -6.311 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.418 6.187 -7.604 1.00 0.00 C ATOM 1386 C PHE A 92 -6.982 7.179 -8.617 1.00 0.00 C ATOM 1387 O PHE A 92 -8.180 7.178 -8.903 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.568 4.756 -8.123 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.909 3.724 -7.254 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.505 3.308 -6.073 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.692 3.167 -7.615 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.899 2.358 -5.272 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -4.085 2.216 -6.818 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.689 1.812 -5.644 1.00 0.00 C ATOM 0 H PHE A 92 -8.071 6.103 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.358 6.400 -7.469 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.629 4.520 -8.210 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.145 4.697 -9.126 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.453 3.731 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.213 3.480 -8.531 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.374 2.043 -4.354 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.138 1.789 -7.113 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.215 1.070 -5.019 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.111 8.025 -9.156 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.532 9.073 -10.079 1.00 0.00 C ATOM 1406 C LEU A 93 -6.026 8.793 -11.490 1.00 0.00 C ATOM 1407 O LEU A 93 -4.837 8.543 -11.694 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.034 10.440 -9.593 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.497 10.841 -8.186 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -5.828 12.143 -7.768 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -8.012 10.983 -8.170 1.00 0.00 C ATOM 0 H LEU A 93 -5.108 8.006 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.622 9.086 -10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.944 10.440 -9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.366 11.202 -10.298 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.210 10.067 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.163 12.419 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.746 12.011 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.096 12.932 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.340 11.268 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.313 11.750 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.469 10.033 -8.445 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.934 8.837 -12.459 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.563 8.679 -13.860 1.00 0.00 C ATOM 1425 C GLU A 94 -6.096 10.005 -14.453 1.00 0.00 C ATOM 1426 O GLU A 94 -6.847 10.979 -14.489 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.739 8.124 -14.667 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.431 7.874 -16.137 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.630 7.329 -16.861 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.652 7.163 -16.239 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.560 7.185 -18.059 1.00 0.00 O ATOM 0 H GLU A 94 -7.931 8.981 -12.300 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.737 7.970 -13.912 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.066 7.189 -14.213 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.574 8.822 -14.597 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.111 8.804 -16.607 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.602 7.172 -16.223 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.851 10.034 -14.915 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.308 11.216 -15.574 1.00 0.00 C ATOM 1440 C ALA A 95 -3.971 10.925 -17.033 1.00 0.00 C ATOM 1441 O ALA A 95 -3.769 9.778 -17.432 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.074 11.713 -14.834 1.00 0.00 C ATOM 0 H ALA A 95 -4.199 9.253 -14.845 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.069 11.996 -15.553 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.679 12.596 -15.337 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.343 11.969 -13.809 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.315 10.931 -14.825 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.908 11.988 -17.849 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.568 11.875 -19.270 1.00 0.00 C ATOM 1450 C PRO A 96 -2.147 11.366 -19.488 1.00 0.00 C ATOM 1451 O PRO A 96 -1.862 10.699 -20.482 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.752 13.297 -19.808 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.612 14.169 -18.607 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.212 13.383 -17.471 1.00 0.00 C ATOM 0 HA PRO A 96 -4.196 11.148 -19.785 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.003 13.536 -20.562 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.728 13.421 -20.278 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.566 14.405 -18.412 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.132 15.117 -18.747 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.766 13.650 -16.513 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.285 13.554 -17.382 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.259 11.687 -18.552 1.00 0.00 N ATOM 1463 CA GLN A 97 0.149 11.331 -18.683 1.00 0.00 C ATOM 1464 C GLN A 97 0.457 10.040 -17.932 1.00 0.00 C ATOM 1465 O GLN A 97 1.499 9.420 -18.143 1.00 0.00 O ATOM 1466 CB GLN A 97 1.040 12.461 -18.158 1.00 0.00 C ATOM 1467 CG GLN A 97 0.878 13.777 -18.899 1.00 0.00 C ATOM 1468 CD GLN A 97 1.787 14.863 -18.356 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.625 14.612 -17.485 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.625 16.079 -18.865 1.00 0.00 N ATOM 0 H GLN A 97 -1.489 12.192 -17.696 1.00 0.00 H new ATOM 0 HA GLN A 97 0.357 11.176 -19.742 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.820 12.622 -17.103 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.082 12.147 -18.222 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.092 13.624 -19.957 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.159 14.106 -18.828 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.920 16.241 -19.584 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.206 16.851 -18.537 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.458 9.638 -17.054 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.242 8.452 -16.248 1.00 0.00 C ATOM 1481 C GLY A 98 -1.314 8.264 -15.194 1.00 0.00 C ATOM 1482 O GLY A 98 -2.328 8.962 -15.198 1.00 0.00 O ATOM 0 H GLY A 98 -1.345 10.113 -16.887 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.216 7.576 -16.896 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.732 8.518 -15.763 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.094 7.315 -14.290 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.014 7.087 -13.181 1.00 0.00 C ATOM 1488 C VAL A 99 -1.368 7.443 -11.847 1.00 0.00 C ATOM 1489 O VAL A 99 -0.252 7.013 -11.551 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.491 5.623 -13.135 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.351 5.381 -11.903 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.264 5.275 -14.399 1.00 0.00 C ATOM 0 H VAL A 99 -0.287 6.691 -14.303 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.875 7.735 -13.348 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.615 4.977 -13.077 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.679 4.342 -11.887 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.769 5.592 -11.006 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.222 6.036 -11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.594 4.237 -14.350 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.133 5.928 -14.486 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.620 5.410 -15.268 1.00 0.00 H new ATOM 1502 N THR A 100 -2.076 8.231 -11.044 1.00 0.00 N ATOM 1503 CA THR A 100 -1.533 8.726 -9.785 1.00 0.00 C ATOM 1504 C THR A 100 -2.124 7.974 -8.599 1.00 0.00 C ATOM 1505 O THR A 100 -3.342 7.825 -8.489 1.00 0.00 O ATOM 1506 CB THR A 100 -1.797 10.233 -9.609 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.121 10.963 -10.641 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.303 10.706 -8.251 1.00 0.00 C ATOM 0 H THR A 100 -3.027 8.540 -11.243 1.00 0.00 H new ATOM 0 HA THR A 100 -0.457 8.558 -9.819 1.00 0.00 H new ATOM 0 HB THR A 100 -2.871 10.409 -9.674 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.162 10.998 -10.442 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.498 11.773 -8.144 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.825 10.161 -7.464 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.232 10.523 -8.170 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.255 7.502 -7.711 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.691 6.764 -6.531 1.00 0.00 C ATOM 1518 C VAL A 101 -1.400 7.547 -5.255 1.00 0.00 C ATOM 1519 O VAL A 101 -0.251 7.875 -4.965 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.011 5.385 -6.443 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.492 4.631 -5.212 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.282 4.575 -7.702 1.00 0.00 C ATOM 0 H VAL A 101 -0.244 7.617 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.767 6.621 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 101 0.065 5.537 -6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.001 3.659 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.249 5.203 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.571 4.490 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.794 3.604 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.356 4.433 -7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.890 5.108 -8.569 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.452 7.842 -4.497 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.326 8.683 -3.313 1.00 0.00 C ATOM 1534 C ARG A 102 -2.744 7.922 -2.059 1.00 0.00 C ATOM 1535 O ARG A 102 -3.826 7.336 -2.007 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.089 9.992 -3.453 1.00 0.00 C ATOM 1537 CG ARG A 102 -2.947 10.944 -2.276 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.696 12.218 -2.425 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.202 13.088 -3.480 1.00 0.00 N ATOM 1540 CZ ARG A 102 -3.879 14.137 -3.986 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.091 14.427 -3.567 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.302 14.853 -4.935 1.00 0.00 N ATOM 0 H ARG A 102 -3.399 7.511 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.273 8.946 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.748 10.500 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.146 9.766 -3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.289 10.439 -1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.891 11.172 -2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.743 11.988 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.660 12.759 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.278 12.890 -3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.533 13.854 -2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.589 15.225 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.369 14.605 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.790 15.653 -5.338 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.879 7.935 -1.049 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.156 7.241 0.203 1.00 0.00 C ATOM 1558 C VAL A 103 -2.117 8.205 1.385 1.00 0.00 C ATOM 1559 O VAL A 103 -1.117 8.886 1.611 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.153 6.098 0.451 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.476 5.379 1.752 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.163 5.120 -0.714 1.00 0.00 C ATOM 0 H VAL A 103 -0.981 8.418 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.157 6.818 0.114 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.154 6.527 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.758 4.575 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.421 6.084 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.481 4.962 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.449 4.319 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.161 4.697 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.886 5.642 -1.630 1.00 0.00 H new ATOM 1572 N SER A 104 -3.212 8.254 2.137 1.00 0.00 N ATOM 1573 CA SER A 104 -3.262 9.044 3.362 1.00 0.00 C ATOM 1574 C SER A 104 -3.499 8.149 4.576 1.00 0.00 C ATOM 1575 O SER A 104 -4.358 7.266 4.552 1.00 0.00 O ATOM 1576 CB SER A 104 -4.347 10.099 3.260 1.00 0.00 C ATOM 1577 OG SER A 104 -4.046 11.073 2.299 1.00 0.00 O ATOM 0 H SER A 104 -4.076 7.757 1.920 1.00 0.00 H new ATOM 0 HA SER A 104 -2.301 9.541 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.294 9.622 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.480 10.577 4.231 1.00 0.00 H new ATOM 0 HG SER A 104 -4.770 11.732 2.264 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.732 8.383 5.634 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.825 7.570 6.841 1.00 0.00 C ATOM 1585 C PHE A 105 -2.671 8.432 8.091 1.00 0.00 C ATOM 1586 O PHE A 105 -2.081 9.512 8.045 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.766 6.466 6.826 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.355 6.979 6.879 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.288 7.404 5.726 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.332 7.038 8.082 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.586 7.875 5.773 1.00 0.00 C ATOM 1592 CE2 PHE A 105 1.630 7.509 8.132 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.257 7.928 6.978 1.00 0.00 C ATOM 0 H PHE A 105 -2.038 9.129 5.681 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.812 7.108 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.934 5.803 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.891 5.867 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.232 7.366 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.153 6.712 8.990 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.075 8.202 4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.154 7.549 9.076 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.271 8.297 7.017 1.00 0.00 H new ATOM 1603 N VAL A 106 -3.207 7.947 9.207 1.00 0.00 N ATOM 1604 CA VAL A 106 -3.099 8.655 10.477 1.00 0.00 C ATOM 1605 C VAL A 106 -1.739 8.418 11.124 1.00 0.00 C ATOM 1606 O VAL A 106 -1.265 7.286 11.199 1.00 0.00 O ATOM 1607 CB VAL A 106 -4.207 8.228 11.458 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -4.061 8.967 12.780 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -5.580 8.483 10.856 1.00 0.00 C ATOM 0 H VAL A 106 -3.720 7.067 9.257 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.213 9.716 10.257 1.00 0.00 H new ATOM 0 HB VAL A 106 -4.106 7.159 11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.852 8.653 13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.091 8.737 13.220 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -4.136 10.041 12.607 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.350 8.175 11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.690 9.545 10.639 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.685 7.911 9.934 1.00 0.00 H new ATOM 1619 N ALA A 107 -1.117 9.496 11.591 1.00 0.00 N ATOM 1620 CA ALA A 107 0.231 9.422 12.143 1.00 0.00 C ATOM 1621 C ALA A 107 0.254 8.594 13.424 1.00 0.00 C ATOM 1622 O ALA A 107 -0.601 8.756 14.294 1.00 0.00 O ATOM 1623 CB ALA A 107 0.772 10.819 12.406 1.00 0.00 C ATOM 0 H ALA A 107 -1.525 10.431 11.598 1.00 0.00 H new ATOM 0 HA ALA A 107 0.870 8.929 11.410 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.779 10.748 12.818 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.801 11.380 11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.125 11.332 13.117 1.00 0.00 H new ATOM 1629 N GLU A 108 1.237 7.705 13.531 1.00 0.00 N ATOM 1630 CA GLU A 108 1.477 6.978 14.772 1.00 0.00 C ATOM 1631 C GLU A 108 2.468 7.726 15.659 1.00 0.00 C ATOM 1632 O GLU A 108 3.572 8.061 15.230 1.00 0.00 O ATOM 1633 CB GLU A 108 1.993 5.568 14.477 1.00 0.00 C ATOM 1634 CG GLU A 108 2.236 4.715 15.714 1.00 0.00 C ATOM 1635 CD GLU A 108 2.721 3.341 15.344 1.00 0.00 C ATOM 1636 OE1 GLU A 108 2.853 3.073 14.174 1.00 0.00 O ATOM 1637 OE2 GLU A 108 3.066 2.596 16.231 1.00 0.00 O ATOM 0 H GLU A 108 1.879 7.471 12.774 1.00 0.00 H new ATOM 0 HA GLU A 108 0.529 6.900 15.305 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.275 5.058 13.835 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.924 5.645 13.915 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.971 5.202 16.355 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.314 4.635 16.290 1.00 0.00 H new ATOM 1644 N THR A 109 2.065 7.986 16.899 1.00 0.00 N ATOM 1645 CA THR A 109 2.815 8.874 17.777 1.00 0.00 C ATOM 1646 C THR A 109 4.183 8.290 18.112 1.00 0.00 C ATOM 1647 O THR A 109 5.093 9.012 18.517 1.00 0.00 O ATOM 1648 CB THR A 109 2.052 9.153 19.085 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.830 7.921 19.783 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.714 9.814 18.791 1.00 0.00 C ATOM 0 H THR A 109 1.222 7.593 17.318 1.00 0.00 H new ATOM 0 HA THR A 109 2.946 9.812 17.238 1.00 0.00 H new ATOM 0 HB THR A 109 2.649 9.825 19.701 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.346 8.100 20.616 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.188 10.004 19.727 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.881 10.757 18.271 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.113 9.155 18.164 1.00 0.00 H new ATOM 1658 N GLU A 110 4.319 6.979 17.939 1.00 0.00 N ATOM 1659 CA GLU A 110 5.549 6.285 18.303 1.00 0.00 C ATOM 1660 C GLU A 110 6.656 6.572 17.293 1.00 0.00 C ATOM 1661 O GLU A 110 7.839 6.395 17.585 1.00 0.00 O ATOM 1662 CB GLU A 110 5.306 4.778 18.406 1.00 0.00 C ATOM 1663 CG GLU A 110 4.404 4.364 19.560 1.00 0.00 C ATOM 1664 CD GLU A 110 4.196 2.876 19.585 1.00 0.00 C ATOM 1665 OE1 GLU A 110 4.752 2.203 18.750 1.00 0.00 O ATOM 1666 OE2 GLU A 110 3.573 2.398 20.503 1.00 0.00 O ATOM 0 H GLU A 110 3.594 6.377 17.550 1.00 0.00 H new ATOM 0 HA GLU A 110 5.868 6.655 19.277 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.865 4.429 17.473 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.266 4.274 18.513 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.845 4.687 20.503 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.441 4.866 19.470 1.00 0.00 H new ATOM 1673 N TYR A 111 6.263 7.017 16.105 1.00 0.00 N ATOM 1674 CA TYR A 111 7.218 7.288 15.037 1.00 0.00 C ATOM 1675 C TYR A 111 7.101 8.731 14.554 1.00 0.00 C ATOM 1676 O TYR A 111 6.010 9.292 14.453 1.00 0.00 O ATOM 1677 CB TYR A 111 7.005 6.323 13.868 1.00 0.00 C ATOM 1678 CG TYR A 111 7.274 4.875 14.213 1.00 0.00 C ATOM 1679 CD1 TYR A 111 8.541 4.332 14.063 1.00 0.00 C ATOM 1680 CD2 TYR A 111 6.260 4.054 14.685 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.793 3.010 14.376 1.00 0.00 C ATOM 1682 CE2 TYR A 111 6.500 2.731 15.002 1.00 0.00 C ATOM 1683 CZ TYR A 111 7.770 2.213 14.845 1.00 0.00 C ATOM 1684 OH TYR A 111 8.015 0.895 15.157 1.00 0.00 O ATOM 0 H TYR A 111 5.290 7.198 15.857 1.00 0.00 H new ATOM 0 HA TYR A 111 8.221 7.139 15.437 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.978 6.417 13.514 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.655 6.617 13.044 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.345 4.953 13.695 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.265 4.456 14.807 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.786 2.603 14.254 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.700 2.106 15.370 1.00 0.00 H new ATOM 0 HH TYR A 111 7.188 0.475 15.474 1.00 0.00 H new ATOM 1694 N PRO A 112 8.252 9.347 14.248 1.00 0.00 N ATOM 1695 CA PRO A 112 8.303 10.715 13.724 1.00 0.00 C ATOM 1696 C PRO A 112 7.451 10.889 12.472 1.00 0.00 C ATOM 1697 O PRO A 112 7.384 9.998 11.626 1.00 0.00 O ATOM 1698 CB PRO A 112 9.791 10.943 13.437 1.00 0.00 C ATOM 1699 CG PRO A 112 10.495 10.003 14.354 1.00 0.00 C ATOM 1700 CD PRO A 112 9.622 8.779 14.419 1.00 0.00 C ATOM 0 HA PRO A 112 7.895 11.440 14.428 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.031 10.735 12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.079 11.976 13.630 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.488 9.758 13.978 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.628 10.444 15.342 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.866 8.065 13.632 1.00 0.00 H new ATOM 0 HD3 PRO A 112 9.728 8.255 15.369 1.00 0.00 H new ATOM 1708 N VAL A 113 6.801 12.043 12.360 1.00 0.00 N ATOM 1709 CA VAL A 113 5.950 12.333 11.212 1.00 0.00 C ATOM 1710 C VAL A 113 6.729 12.215 9.906 1.00 0.00 C ATOM 1711 O VAL A 113 6.249 11.628 8.938 1.00 0.00 O ATOM 1712 CB VAL A 113 5.333 13.741 11.308 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.641 14.108 10.004 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.354 13.816 12.469 1.00 0.00 C ATOM 0 H VAL A 113 6.847 12.792 13.050 1.00 0.00 H new ATOM 0 HA VAL A 113 5.148 11.595 11.220 1.00 0.00 H new ATOM 0 HB VAL A 113 6.135 14.457 11.487 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.210 15.106 10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.366 14.094 9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.850 13.388 9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.928 14.818 12.522 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.555 13.089 12.319 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.876 13.594 13.400 1.00 0.00 H new ATOM 1724 N GLU A 114 7.933 12.778 9.890 1.00 0.00 N ATOM 1725 CA GLU A 114 8.756 12.785 8.685 1.00 0.00 C ATOM 1726 C GLU A 114 9.162 11.366 8.296 1.00 0.00 C ATOM 1727 O GLU A 114 9.169 11.015 7.117 1.00 0.00 O ATOM 1728 CB GLU A 114 10.000 13.653 8.889 1.00 0.00 C ATOM 1729 CG GLU A 114 9.717 15.146 8.972 1.00 0.00 C ATOM 1730 CD GLU A 114 10.966 15.922 9.286 1.00 0.00 C ATOM 1731 OE1 GLU A 114 11.985 15.310 9.502 1.00 0.00 O ATOM 1732 OE2 GLU A 114 10.931 17.127 9.199 1.00 0.00 O ATOM 0 H GLU A 114 8.360 13.235 10.696 1.00 0.00 H new ATOM 0 HA GLU A 114 8.163 13.208 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.501 13.339 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.693 13.472 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.299 15.492 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.967 15.334 9.740 1.00 0.00 H new ATOM 1739 N GLN A 115 9.498 10.558 9.296 1.00 0.00 N ATOM 1740 CA GLN A 115 9.941 9.189 9.055 1.00 0.00 C ATOM 1741 C GLN A 115 8.809 8.344 8.478 1.00 0.00 C ATOM 1742 O GLN A 115 9.034 7.494 7.618 1.00 0.00 O ATOM 1743 CB GLN A 115 10.454 8.554 10.351 1.00 0.00 C ATOM 1744 CG GLN A 115 11.747 9.160 10.871 1.00 0.00 C ATOM 1745 CD GLN A 115 12.896 8.998 9.894 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.101 7.920 9.328 1.00 0.00 O ATOM 1747 NE2 GLN A 115 13.657 10.068 9.694 1.00 0.00 N ATOM 0 H GLN A 115 9.472 10.827 10.280 1.00 0.00 H new ATOM 0 HA GLN A 115 10.754 9.223 8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.686 8.650 11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.607 7.488 10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.593 10.220 11.073 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.010 8.690 11.818 1.00 0.00 H new ATOM 0 HE21 GLN A 115 13.451 10.939 10.183 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.447 10.019 9.051 1.00 0.00 H new ATOM 1756 N GLN A 116 7.594 8.585 8.960 1.00 0.00 N ATOM 1757 CA GLN A 116 6.422 7.872 8.465 1.00 0.00 C ATOM 1758 C GLN A 116 6.086 8.301 7.041 1.00 0.00 C ATOM 1759 O GLN A 116 5.735 7.473 6.201 1.00 0.00 O ATOM 1760 CB GLN A 116 5.219 8.116 9.380 1.00 0.00 C ATOM 1761 CG GLN A 116 5.333 7.465 10.747 1.00 0.00 C ATOM 1762 CD GLN A 116 4.107 7.705 11.607 1.00 0.00 C ATOM 1763 OE1 GLN A 116 3.048 7.113 11.381 1.00 0.00 O ATOM 1764 NE2 GLN A 116 4.242 8.580 12.598 1.00 0.00 N ATOM 0 H GLN A 116 7.396 9.267 9.692 1.00 0.00 H new ATOM 0 HA GLN A 116 6.654 6.807 8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.089 9.190 9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.321 7.744 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.483 6.392 10.624 1.00 0.00 H new ATOM 0 HG3 GLN A 116 6.214 7.853 11.259 1.00 0.00 H new ATOM 0 HE21 GLN A 116 5.137 9.046 12.748 1.00 0.00 H new ATOM 0 HE22 GLN A 116 3.451 8.785 13.208 1.00 0.00 H new ATOM 1773 N GLN A 117 6.195 9.598 6.777 1.00 0.00 N ATOM 1774 CA GLN A 117 5.937 10.131 5.445 1.00 0.00 C ATOM 1775 C GLN A 117 6.860 9.490 4.414 1.00 0.00 C ATOM 1776 O GLN A 117 6.414 9.061 3.350 1.00 0.00 O ATOM 1777 CB GLN A 117 6.119 11.651 5.430 1.00 0.00 C ATOM 1778 CG GLN A 117 5.841 12.298 4.084 1.00 0.00 C ATOM 1779 CD GLN A 117 6.036 13.802 4.113 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.458 14.368 5.126 1.00 0.00 O ATOM 1781 NE2 GLN A 117 5.727 14.460 3.002 1.00 0.00 N ATOM 0 H GLN A 117 6.460 10.300 7.468 1.00 0.00 H new ATOM 0 HA GLN A 117 4.906 9.894 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.458 12.092 6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.140 11.886 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.500 11.864 3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 117 4.819 12.073 3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.381 13.952 2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.835 15.473 2.963 1.00 0.00 H new ATOM 1790 N GLN A 118 8.148 9.428 4.738 1.00 0.00 N ATOM 1791 CA GLN A 118 9.134 8.846 3.835 1.00 0.00 C ATOM 1792 C GLN A 118 8.913 7.344 3.683 1.00 0.00 C ATOM 1793 O GLN A 118 9.085 6.787 2.600 1.00 0.00 O ATOM 1794 CB GLN A 118 10.553 9.112 4.346 1.00 0.00 C ATOM 1795 CG GLN A 118 10.990 10.563 4.243 1.00 0.00 C ATOM 1796 CD GLN A 118 12.358 10.801 4.854 1.00 0.00 C ATOM 1797 OE1 GLN A 118 12.970 9.887 5.415 1.00 0.00 O ATOM 1798 NE2 GLN A 118 12.844 12.032 4.753 1.00 0.00 N ATOM 0 H GLN A 118 8.532 9.773 5.618 1.00 0.00 H new ATOM 0 HA GLN A 118 9.013 9.317 2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 118 10.617 8.798 5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.252 8.493 3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.007 10.861 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.257 11.196 4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.303 12.757 4.281 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.758 12.253 5.148 1.00 0.00 H new ATOM 1807 N GLY A 119 8.529 6.694 4.778 1.00 0.00 N ATOM 1808 CA GLY A 119 8.313 5.259 4.750 1.00 0.00 C ATOM 1809 C GLY A 119 7.173 4.862 3.833 1.00 0.00 C ATOM 1810 O GLY A 119 7.314 3.950 3.018 1.00 0.00 O ATOM 0 H GLY A 119 8.364 7.135 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.227 4.763 4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.103 4.907 5.760 1.00 0.00 H new ATOM 1814 N TRP A 120 6.043 5.546 3.966 1.00 0.00 N ATOM 1815 CA TRP A 120 4.873 5.254 3.148 1.00 0.00 C ATOM 1816 C TRP A 120 5.102 5.675 1.700 1.00 0.00 C ATOM 1817 O TRP A 120 4.615 5.028 0.773 1.00 0.00 O ATOM 1818 CB TRP A 120 3.637 5.957 3.712 1.00 0.00 C ATOM 1819 CG TRP A 120 2.738 5.050 4.497 1.00 0.00 C ATOM 1820 CD1 TRP A 120 1.559 4.509 4.078 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.945 4.578 5.834 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.017 3.730 5.070 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.851 3.756 6.159 1.00 0.00 C ATOM 1824 CE3 TRP A 120 3.952 4.772 6.787 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.732 3.131 7.391 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 3.833 4.144 8.022 1.00 0.00 C ATOM 1827 CH2 TRP A 120 2.755 3.347 8.315 1.00 0.00 C ATOM 0 H TRP A 120 5.912 6.307 4.633 1.00 0.00 H new ATOM 0 HA TRP A 120 4.706 4.177 3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 120 3.957 6.780 4.351 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.071 6.394 2.890 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.116 4.670 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.138 3.216 5.008 1.00 0.00 H new ATOM 0 HE3 TRP A 120 4.805 5.397 6.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 0.884 2.504 7.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 4.604 4.286 8.765 1.00 0.00 H new ATOM 0 HH2 TRP A 120 2.697 2.875 9.285 1.00 0.00 H new ATOM 1838 N GLN A 121 5.846 6.760 1.515 1.00 0.00 N ATOM 1839 CA GLN A 121 6.234 7.201 0.180 1.00 0.00 C ATOM 1840 C GLN A 121 7.152 6.180 -0.485 1.00 0.00 C ATOM 1841 O GLN A 121 7.041 5.917 -1.681 1.00 0.00 O ATOM 1842 CB GLN A 121 6.933 8.562 0.245 1.00 0.00 C ATOM 1843 CG GLN A 121 7.336 9.120 -1.109 1.00 0.00 C ATOM 1844 CD GLN A 121 6.138 9.443 -1.982 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.225 10.162 -1.566 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.133 8.909 -3.198 1.00 0.00 N ATOM 0 H GLN A 121 6.192 7.350 2.272 1.00 0.00 H new ATOM 0 HA GLN A 121 5.327 7.296 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.271 9.275 0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 121 7.823 8.471 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 121 7.931 10.022 -0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.972 8.398 -1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.910 8.320 -3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.353 9.087 -3.830 1.00 0.00 H new ATOM 1855 N ALA A 122 8.059 5.607 0.301 1.00 0.00 N ATOM 1856 CA ALA A 122 8.964 4.580 -0.200 1.00 0.00 C ATOM 1857 C ALA A 122 8.193 3.347 -0.658 1.00 0.00 C ATOM 1858 O ALA A 122 8.592 2.671 -1.607 1.00 0.00 O ATOM 1859 CB ALA A 122 9.978 4.205 0.869 1.00 0.00 C ATOM 0 H ALA A 122 8.186 5.837 1.287 1.00 0.00 H new ATOM 0 HA ALA A 122 9.495 4.985 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.648 3.437 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.557 5.086 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.457 3.823 1.747 1.00 0.00 H new ATOM 1865 N ILE A 123 7.090 3.057 0.023 1.00 0.00 N ATOM 1866 CA ILE A 123 6.236 1.935 -0.347 1.00 0.00 C ATOM 1867 C ILE A 123 5.606 2.155 -1.719 1.00 0.00 C ATOM 1868 O ILE A 123 5.592 1.254 -2.560 1.00 0.00 O ATOM 1869 CB ILE A 123 5.122 1.707 0.690 1.00 0.00 C ATOM 1870 CG1 ILE A 123 5.715 1.198 2.007 1.00 0.00 C ATOM 1871 CG2 ILE A 123 4.089 0.728 0.154 1.00 0.00 C ATOM 1872 CD1 ILE A 123 4.732 1.190 3.156 1.00 0.00 C ATOM 0 H ILE A 123 6.766 3.584 0.834 1.00 0.00 H new ATOM 0 HA ILE A 123 6.872 1.051 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 123 4.626 2.658 0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.093 0.187 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.568 1.821 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.308 0.578 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 123 3.647 1.129 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 123 4.570 -0.225 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.225 0.817 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.372 2.203 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.890 0.544 2.910 1.00 0.00 H new ATOM 1884 N LEU A 124 5.087 3.357 -1.940 1.00 0.00 N ATOM 1885 CA LEU A 124 4.570 3.738 -3.250 1.00 0.00 C ATOM 1886 C LEU A 124 5.688 3.781 -4.286 1.00 0.00 C ATOM 1887 O LEU A 124 5.486 3.426 -5.446 1.00 0.00 O ATOM 1888 CB LEU A 124 3.864 5.098 -3.167 1.00 0.00 C ATOM 1889 CG LEU A 124 2.523 5.093 -2.422 1.00 0.00 C ATOM 1890 CD1 LEU A 124 1.950 6.503 -2.370 1.00 0.00 C ATOM 1891 CD2 LEU A 124 1.558 4.144 -3.117 1.00 0.00 C ATOM 0 H LEU A 124 5.013 4.085 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 124 3.847 2.985 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.531 5.807 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 124 3.698 5.465 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 124 2.677 4.749 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.998 6.490 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 124 2.647 7.160 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.795 6.870 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.606 4.141 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.401 4.473 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.976 3.137 -3.118 1.00 0.00 H new ATOM 1903 N ASN A 125 6.869 4.215 -3.857 1.00 0.00 N ATOM 1904 CA ASN A 125 8.043 4.220 -4.723 1.00 0.00 C ATOM 1905 C ASN A 125 8.453 2.798 -5.092 1.00 0.00 C ATOM 1906 O ASN A 125 8.918 2.543 -6.202 1.00 0.00 O ATOM 1907 CB ASN A 125 9.205 4.954 -4.080 1.00 0.00 C ATOM 1908 CG ASN A 125 8.978 6.432 -3.929 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.043 6.999 -4.506 1.00 0.00 O ATOM 1910 ND2 ASN A 125 9.876 7.073 -3.225 1.00 0.00 N ATOM 0 H ASN A 125 7.038 4.568 -2.915 1.00 0.00 H new ATOM 0 HA ASN A 125 7.773 4.752 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.396 4.523 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.101 4.793 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 125 9.823 8.088 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 125 10.629 6.558 -2.768 1.00 0.00 H new ATOM 1917 N ASN A 126 8.275 1.874 -4.152 1.00 0.00 N ATOM 1918 CA ASN A 126 8.498 0.459 -4.420 1.00 0.00 C ATOM 1919 C ASN A 126 7.467 -0.077 -5.409 1.00 0.00 C ATOM 1920 O ASN A 126 7.779 -0.913 -6.257 1.00 0.00 O ATOM 1921 CB ASN A 126 8.478 -0.359 -3.142 1.00 0.00 C ATOM 1922 CG ASN A 126 9.710 -0.192 -2.297 1.00 0.00 C ATOM 1923 OD1 ASN A 126 10.781 0.179 -2.791 1.00 0.00 O ATOM 1924 ND2 ASN A 126 9.585 -0.541 -1.042 1.00 0.00 N ATOM 0 H ASN A 126 7.977 2.081 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 126 9.489 0.364 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.604 -0.077 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.364 -1.412 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.395 -0.514 -0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.678 -0.840 -0.684 1.00 0.00 H new ATOM 1931 N PHE A 127 6.236 0.411 -5.295 1.00 0.00 N ATOM 1932 CA PHE A 127 5.200 0.111 -6.276 1.00 0.00 C ATOM 1933 C PHE A 127 5.580 0.652 -7.651 1.00 0.00 C ATOM 1934 O PHE A 127 5.339 0.009 -8.673 1.00 0.00 O ATOM 1935 CB PHE A 127 3.856 0.692 -5.831 1.00 0.00 C ATOM 1936 CG PHE A 127 3.072 -0.217 -4.928 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.611 -1.443 -5.383 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.793 0.153 -3.621 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.889 -2.279 -4.554 1.00 0.00 C ATOM 1940 CE2 PHE A 127 2.072 -0.682 -2.789 1.00 0.00 C ATOM 1941 CZ PHE A 127 1.620 -1.898 -3.255 1.00 0.00 C ATOM 0 H PHE A 127 5.932 1.016 -4.532 1.00 0.00 H new ATOM 0 HA PHE A 127 5.106 -0.973 -6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.032 1.637 -5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.257 0.916 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 127 2.819 -1.748 -6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.143 1.105 -3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.535 -3.231 -4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.862 -0.382 -1.773 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.057 -2.551 -2.605 1.00 0.00 H new ATOM 1951 N LYS A 128 6.176 1.839 -7.669 1.00 0.00 N ATOM 1952 CA LYS A 128 6.672 2.428 -8.908 1.00 0.00 C ATOM 1953 C LYS A 128 7.748 1.549 -9.536 1.00 0.00 C ATOM 1954 O LYS A 128 7.720 1.279 -10.736 1.00 0.00 O ATOM 1955 CB LYS A 128 7.220 3.833 -8.653 1.00 0.00 C ATOM 1956 CG LYS A 128 7.734 4.543 -9.898 1.00 0.00 C ATOM 1957 CD LYS A 128 8.109 5.986 -9.597 1.00 0.00 C ATOM 1958 CE LYS A 128 8.465 6.743 -10.868 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.859 6.466 -11.309 1.00 0.00 N ATOM 0 H LYS A 128 6.328 2.413 -6.839 1.00 0.00 H new ATOM 0 HA LYS A 128 5.837 2.499 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.435 4.440 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.030 3.768 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.603 4.013 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.970 4.518 -10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.278 6.483 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.954 6.008 -8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.772 6.465 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.344 7.813 -10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 10.142 7.166 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.500 6.527 -10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.910 5.511 -11.719 1.00 0.00 H new ATOM 1973 N ARG A 129 8.695 1.104 -8.716 1.00 0.00 N ATOM 1974 CA ARG A 129 9.753 0.216 -9.182 1.00 0.00 C ATOM 1975 C ARG A 129 9.179 -1.122 -9.638 1.00 0.00 C ATOM 1976 O ARG A 129 9.673 -1.730 -10.589 1.00 0.00 O ATOM 1977 CB ARG A 129 10.849 0.030 -8.142 1.00 0.00 C ATOM 1978 CG ARG A 129 11.725 1.251 -7.911 1.00 0.00 C ATOM 1979 CD ARG A 129 12.732 1.086 -6.831 1.00 0.00 C ATOM 1980 NE ARG A 129 13.569 2.253 -6.606 1.00 0.00 N ATOM 1981 CZ ARG A 129 14.486 2.359 -5.624 1.00 0.00 C ATOM 1982 NH1 ARG A 129 14.660 1.389 -4.753 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.189 3.475 -5.544 1.00 0.00 N ATOM 0 H ARG A 129 8.751 1.344 -7.726 1.00 0.00 H new ATOM 0 HA ARG A 129 10.220 0.693 -10.043 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.388 -0.253 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.483 -0.802 -8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 129 12.242 1.494 -8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.087 2.101 -7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.215 0.841 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.371 0.237 -7.074 1.00 0.00 H new ATOM 0 HE ARG A 129 13.454 3.047 -7.235 1.00 0.00 H new ATOM 0 HH11 ARG A 129 14.097 0.541 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 129 15.358 1.485 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.030 4.227 -6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 129 15.890 3.585 -4.811 1.00 0.00 H new ATOM 1997 N HIS A 130 8.133 -1.575 -8.954 1.00 0.00 N ATOM 1998 CA HIS A 130 7.421 -2.783 -9.357 1.00 0.00 C ATOM 1999 C HIS A 130 6.855 -2.634 -10.766 1.00 0.00 C ATOM 2000 O HIS A 130 6.996 -3.528 -11.601 1.00 0.00 O ATOM 2001 CB HIS A 130 6.295 -3.105 -8.369 1.00 0.00 C ATOM 2002 CG HIS A 130 5.471 -4.291 -8.762 1.00 0.00 C ATOM 2003 ND1 HIS A 130 5.914 -5.589 -8.610 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.233 -4.378 -9.302 1.00 0.00 C ATOM 2005 CE1 HIS A 130 4.982 -6.422 -9.039 1.00 0.00 C ATOM 2006 NE2 HIS A 130 3.953 -5.712 -9.464 1.00 0.00 N ATOM 0 H HIS A 130 7.760 -1.124 -8.119 1.00 0.00 H new ATOM 0 HA HIS A 130 8.133 -3.608 -9.354 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.727 -3.284 -7.385 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.644 -2.236 -8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.586 -3.552 -9.558 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.050 -7.500 -9.042 1.00 0.00 H new ATOM 0 HE2 HIS A 130 3.089 -6.093 -9.850 1.00 0.00 H new ATOM 2013 N VAL A 131 6.213 -1.499 -11.025 1.00 0.00 N ATOM 2014 CA VAL A 131 5.717 -1.188 -12.360 1.00 0.00 C ATOM 2015 C VAL A 131 6.856 -1.143 -13.372 1.00 0.00 C ATOM 2016 O VAL A 131 6.744 -1.684 -14.472 1.00 0.00 O ATOM 2017 CB VAL A 131 4.967 0.157 -12.386 1.00 0.00 C ATOM 2018 CG1 VAL A 131 4.664 0.570 -13.818 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.683 0.066 -11.576 1.00 0.00 C ATOM 0 H VAL A 131 6.024 -0.779 -10.327 1.00 0.00 H new ATOM 0 HA VAL A 131 5.024 -1.984 -12.631 1.00 0.00 H new ATOM 0 HB VAL A 131 5.606 0.917 -11.936 1.00 0.00 H new ATOM 0 HG11 VAL A 131 4.134 1.522 -13.818 1.00 0.00 H new ATOM 0 HG12 VAL A 131 5.597 0.674 -14.372 1.00 0.00 H new ATOM 0 HG13 VAL A 131 4.044 -0.190 -14.292 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.166 1.025 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.040 -0.706 -11.999 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.922 -0.186 -10.543 1.00 0.00 H new ATOM 2029 N GLU A 132 7.953 -0.495 -12.992 1.00 0.00 N ATOM 2030 CA GLU A 132 9.088 -0.322 -13.892 1.00 0.00 C ATOM 2031 C GLU A 132 9.695 -1.672 -14.267 1.00 0.00 C ATOM 2032 O GLU A 132 10.165 -1.862 -15.389 1.00 0.00 O ATOM 2033 CB GLU A 132 10.149 0.576 -13.253 1.00 0.00 C ATOM 2034 CG GLU A 132 9.765 2.047 -13.179 1.00 0.00 C ATOM 2035 CD GLU A 132 10.797 2.844 -12.431 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.711 2.254 -11.907 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.736 4.050 -12.477 1.00 0.00 O ATOM 0 H GLU A 132 8.080 -0.082 -12.068 1.00 0.00 H new ATOM 0 HA GLU A 132 8.727 0.157 -14.802 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.354 0.215 -12.245 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.076 0.483 -13.819 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.654 2.447 -14.187 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.798 2.148 -12.687 1.00 0.00 H new ATOM 2044 N SER A 133 9.683 -2.603 -13.319 1.00 0.00 N ATOM 2045 CA SER A 133 10.233 -3.934 -13.549 1.00 0.00 C ATOM 2046 C SER A 133 9.276 -4.781 -14.382 1.00 0.00 C ATOM 2047 O SER A 133 9.691 -5.719 -15.063 1.00 0.00 O ATOM 2048 CB SER A 133 10.530 -4.614 -12.226 1.00 0.00 C ATOM 2049 OG SER A 133 9.369 -4.825 -11.471 1.00 0.00 O ATOM 0 H SER A 133 9.299 -2.461 -12.385 1.00 0.00 H new ATOM 0 HA SER A 133 11.164 -3.829 -14.106 1.00 0.00 H new ATOM 0 HB2 SER A 133 11.020 -5.570 -12.412 1.00 0.00 H new ATOM 0 HB3 SER A 133 11.228 -4.004 -11.654 1.00 0.00 H new ATOM 0 HG SER A 133 8.816 -5.508 -11.905 1.00 0.00 H new ATOM 2055 N HIS A 134 7.992 -4.442 -14.325 1.00 0.00 N ATOM 2056 CA HIS A 134 6.963 -5.229 -14.993 1.00 0.00 C ATOM 2057 C HIS A 134 6.385 -4.470 -16.184 1.00 0.00 C ATOM 2058 O HIS A 134 5.414 -4.908 -16.800 1.00 0.00 O ATOM 2059 CB HIS A 134 5.845 -5.603 -14.014 1.00 0.00 C ATOM 2060 CG HIS A 134 6.231 -6.672 -13.040 1.00 0.00 C ATOM 2061 ND1 HIS A 134 7.094 -6.444 -11.989 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.874 -7.975 -12.958 1.00 0.00 C ATOM 2063 CE1 HIS A 134 7.250 -7.562 -11.301 1.00 0.00 C ATOM 2064 NE2 HIS A 134 6.521 -8.505 -11.868 1.00 0.00 N ATOM 0 H HIS A 134 7.640 -3.627 -13.823 1.00 0.00 H new ATOM 0 HA HIS A 134 7.428 -6.145 -15.359 1.00 0.00 H new ATOM 0 HB2 HIS A 134 5.544 -4.712 -13.462 1.00 0.00 H new ATOM 0 HB3 HIS A 134 4.975 -5.936 -14.580 1.00 0.00 H new ATOM 0 HD2 HIS A 134 5.206 -8.500 -13.625 1.00 0.00 H new ATOM 0 HE1 HIS A 134 7.869 -7.683 -10.424 1.00 0.00 H new ATOM 0 HE2 HIS A 134 6.450 -9.471 -11.549 1.00 0.00 H new ATOM 2071 N LEU A 135 6.988 -3.329 -16.500 1.00 0.00 N ATOM 2072 CA LEU A 135 6.575 -2.540 -17.654 1.00 0.00 C ATOM 2073 C LEU A 135 7.735 -1.706 -18.189 1.00 0.00 C ATOM 2074 O LEU A 135 8.432 -1.037 -17.427 1.00 0.00 O ATOM 2075 CB LEU A 135 5.392 -1.636 -17.284 1.00 0.00 C ATOM 2076 CG LEU A 135 4.885 -0.729 -18.412 1.00 0.00 C ATOM 2077 CD1 LEU A 135 4.270 -1.570 -19.522 1.00 0.00 C ATOM 2078 CD2 LEU A 135 3.868 0.256 -17.855 1.00 0.00 C ATOM 0 H LEU A 135 7.765 -2.930 -15.973 1.00 0.00 H new ATOM 0 HA LEU A 135 6.261 -3.226 -18.441 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.568 -2.264 -16.946 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.683 -1.011 -16.440 1.00 0.00 H new ATOM 0 HG LEU A 135 5.721 -0.170 -18.832 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.913 -0.917 -20.318 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.021 -2.251 -19.921 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.435 -2.145 -19.123 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.508 0.900 -18.657 1.00 0.00 H new ATOM 0 HD22 LEU A 135 3.029 -0.291 -17.425 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.337 0.866 -17.083 1.00 0.00 H new ATOM 2090 N GLU A 136 7.934 -1.750 -19.502 1.00 0.00 N ATOM 2091 CA GLU A 136 9.027 -1.021 -20.134 1.00 0.00 C ATOM 2092 C GLU A 136 9.258 0.319 -19.441 1.00 0.00 C ATOM 2093 O GLU A 136 10.398 0.704 -19.174 1.00 0.00 O ATOM 2094 CB GLU A 136 8.741 -0.804 -21.621 1.00 0.00 C ATOM 2095 CG GLU A 136 9.863 -0.114 -22.384 1.00 0.00 C ATOM 2096 CD GLU A 136 9.542 -0.007 -23.849 1.00 0.00 C ATOM 2097 OE1 GLU A 136 8.484 -0.438 -24.239 1.00 0.00 O ATOM 2098 OE2 GLU A 136 10.304 0.605 -24.560 1.00 0.00 O ATOM 0 H GLU A 136 7.353 -2.283 -20.149 1.00 0.00 H new ATOM 0 HA GLU A 136 9.932 -1.620 -20.037 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.543 -1.770 -22.085 1.00 0.00 H new ATOM 0 HB3 GLU A 136 7.832 -0.211 -21.721 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.027 0.882 -21.972 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.791 -0.671 -22.253 1.00 0.00 H new ATOM 2105 N HIS A 137 8.170 1.025 -19.152 1.00 0.00 N ATOM 2106 CA HIS A 137 8.249 2.294 -18.439 1.00 0.00 C ATOM 2107 C HIS A 137 9.354 2.259 -17.387 1.00 0.00 C ATOM 2108 O HIS A 137 9.402 1.354 -16.553 1.00 0.00 O ATOM 2109 CB HIS A 137 6.907 2.632 -17.781 1.00 0.00 C ATOM 2110 CG HIS A 137 6.967 3.813 -16.863 1.00 0.00 C ATOM 2111 ND1 HIS A 137 7.230 5.091 -17.310 1.00 0.00 N ATOM 2112 CD2 HIS A 137 6.800 3.909 -15.523 1.00 0.00 C ATOM 2113 CE1 HIS A 137 7.220 5.923 -16.283 1.00 0.00 C ATOM 2114 NE2 HIS A 137 6.963 5.231 -15.188 1.00 0.00 N ATOM 0 H HIS A 137 7.223 0.739 -19.401 1.00 0.00 H new ATOM 0 HA HIS A 137 8.487 3.071 -19.166 1.00 0.00 H new ATOM 0 HB2 HIS A 137 6.169 2.825 -18.560 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.559 1.765 -17.220 1.00 0.00 H new ATOM 0 HD2 HIS A 137 6.580 3.098 -14.845 1.00 0.00 H new ATOM 0 HE1 HIS A 137 7.393 6.988 -16.331 1.00 0.00 H new ATOM 0 HE2 HIS A 137 6.896 5.616 -14.246 1.00 0.00 H new ATOM 2121 N HIS A 138 10.240 3.249 -17.432 1.00 0.00 N ATOM 2122 CA HIS A 138 11.389 3.288 -16.535 1.00 0.00 C ATOM 2123 C HIS A 138 12.047 4.664 -16.553 1.00 0.00 C ATOM 2124 O HIS A 138 12.222 5.233 -17.630 1.00 0.00 O ATOM 2125 CB HIS A 138 12.410 2.211 -16.914 1.00 0.00 C ATOM 2126 CG HIS A 138 13.417 1.932 -15.842 1.00 0.00 C ATOM 2127 ND1 HIS A 138 14.463 2.787 -15.564 1.00 0.00 N ATOM 2128 CD2 HIS A 138 13.539 0.895 -14.980 1.00 0.00 C ATOM 2129 CE1 HIS A 138 15.185 2.287 -14.576 1.00 0.00 C ATOM 2130 NE2 HIS A 138 14.646 1.141 -14.205 1.00 0.00 N ATOM 0 H HIS A 138 10.184 4.035 -18.080 1.00 0.00 H new ATOM 0 HA HIS A 138 11.031 3.089 -15.525 1.00 0.00 H new ATOM 0 HB2 HIS A 138 11.880 1.288 -17.152 1.00 0.00 H new ATOM 0 HB3 HIS A 138 12.932 2.521 -17.819 1.00 0.00 H new ATOM 0 HD2 HIS A 138 12.888 0.036 -14.914 1.00 0.00 H new ATOM 0 HE1 HIS A 138 16.066 2.739 -14.146 1.00 0.00 H new ATOM 0 HE2 HIS A 138 14.995 0.535 -13.462 1.00 0.00 H new TER 2137 HIS A 138