USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=30 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 -59:sc= 0.92 USER MOD Set 1.2: A 134 HIS : no HD1:sc=-0.00931 X(o=0.91,f=0.89) USER MOD Set 2.1: A 121 GLN : amide:sc= 0.819 K(o=1.5,f=-0.11) USER MOD Set 2.2: A 125 ASN : amide:sc= 0.698 K(o=1.5,f=-1.5!) USER MOD Set 3.1: A 4 THR OG1 : rot 180:sc= 0.45 USER MOD Set 3.2: A 104 SER OG : rot 94:sc= 0.479 USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0.579 USER MOD Set 4.2: A 100 THR OG1 : rot -66:sc= 0.648 USER MOD Set 5.1: A 37 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-2.9!) USER MOD Set 5.2: A 39 THR OG1 : rot -170:sc= 0 USER MOD Set 5.3: A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 20 TYR OH : rot 145:sc= 1.97 USER MOD Set 6.2: A 21 THR OG1 : rot 91:sc= 1.77 USER MOD Set 6.3: A 70 TYR OH : rot -3:sc= 0.135 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.434 (180deg=-0.438) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.000649 (180deg=-0.149) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -120:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0.996 (180deg=0.907) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.552 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0.944 (180deg=0.9) USER MOD Single : A 28 GLN : amide:sc= -0.0923 X(o=-0.092,f=-0.14) USER MOD Single : A 30 ASN : amide:sc= -0.543 K(o=-0.54,f=-2.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.179 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 34:sc= 0.523 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0.922 (180deg=0.892) USER MOD Single : A 61 SER OG : rot -79:sc= 0.984 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 160:sc= 0.782 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0.749 (180deg=0.746) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 29:sc= 0.563 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.15) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.19) USER MOD Single : A 116 GLN : amide:sc= -0.564 X(o=-0.56,f=-1) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 126 ASN : amide:sc= 0.018 K(o=0.018,f=-1.4) USER MOD Single : A 128 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.906) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.730 13.534 13.450 1.00 0.00 N ATOM 2 CA MET A 1 -1.018 13.893 12.229 1.00 0.00 C ATOM 3 C MET A 1 -1.367 12.937 11.093 1.00 0.00 C ATOM 4 O MET A 1 -1.203 11.724 11.219 1.00 0.00 O ATOM 5 CB MET A 1 0.489 13.895 12.477 1.00 0.00 C ATOM 6 CG MET A 1 0.962 14.943 13.475 1.00 0.00 C ATOM 7 SD MET A 1 0.633 16.628 12.923 1.00 0.00 S ATOM 8 CE MET A 1 1.776 16.763 11.551 1.00 0.00 C ATOM 0 H1 MET A 1 -1.626 14.296 14.150 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.738 13.396 13.236 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.334 12.653 13.836 1.00 0.00 H new ATOM 0 HA MET A 1 -1.328 14.896 11.936 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.787 12.910 12.835 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.001 14.058 11.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.469 14.776 14.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.032 14.822 13.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.704 17.759 11.114 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.793 16.595 11.906 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.528 16.017 10.796 1.00 0.00 H new ATOM 20 N ASN A 2 -1.851 13.491 9.986 1.00 0.00 N ATOM 21 CA ASN A 2 -2.096 12.704 8.782 1.00 0.00 C ATOM 22 C ASN A 2 -0.963 12.880 7.778 1.00 0.00 C ATOM 23 O ASN A 2 -0.597 14.002 7.427 1.00 0.00 O ATOM 24 CB ASN A 2 -3.427 13.063 8.145 1.00 0.00 C ATOM 25 CG ASN A 2 -4.617 12.739 9.005 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.891 11.571 9.307 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.371 13.757 9.332 1.00 0.00 N ATOM 0 H ASN A 2 -2.081 14.481 9.897 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.137 11.656 9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.435 14.129 7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.520 12.533 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.230 13.606 9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.100 14.701 9.058 1.00 0.00 H new ATOM 34 N ILE A 3 -0.409 11.762 7.319 1.00 0.00 N ATOM 35 CA ILE A 3 0.668 11.792 6.337 1.00 0.00 C ATOM 36 C ILE A 3 0.190 11.278 4.983 1.00 0.00 C ATOM 37 O ILE A 3 -0.412 10.209 4.888 1.00 0.00 O ATOM 38 CB ILE A 3 1.876 10.955 6.798 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.364 11.432 8.168 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.997 11.030 5.774 1.00 0.00 C ATOM 41 CD1 ILE A 3 2.843 12.866 8.179 1.00 0.00 C ATOM 0 H ILE A 3 -0.688 10.825 7.611 1.00 0.00 H new ATOM 0 HA ILE A 3 0.977 12.833 6.239 1.00 0.00 H new ATOM 0 HB ILE A 3 1.563 9.915 6.888 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.554 11.323 8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.176 10.785 8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.843 10.433 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.643 10.644 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.310 12.067 5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.173 13.132 9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.674 12.977 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.028 13.524 7.879 1.00 0.00 H new ATOM 53 N THR A 4 0.467 12.046 3.933 1.00 0.00 N ATOM 54 CA THR A 4 -0.008 11.714 2.596 1.00 0.00 C ATOM 55 C THR A 4 1.154 11.542 1.626 1.00 0.00 C ATOM 56 O THR A 4 2.099 12.333 1.627 1.00 0.00 O ATOM 57 CB THR A 4 -0.963 12.792 2.053 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.074 12.946 2.946 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.477 12.404 0.674 1.00 0.00 C ATOM 0 H THR A 4 1.018 12.903 3.984 1.00 0.00 H new ATOM 0 HA THR A 4 -0.549 10.772 2.679 1.00 0.00 H new ATOM 0 HB THR A 4 -0.417 13.732 1.976 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.680 13.634 2.599 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.151 13.178 0.306 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.636 12.299 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.013 11.457 0.739 1.00 0.00 H new ATOM 67 N VAL A 5 1.080 10.504 0.798 1.00 0.00 N ATOM 68 CA VAL A 5 2.067 10.294 -0.254 1.00 0.00 C ATOM 69 C VAL A 5 1.392 10.013 -1.592 1.00 0.00 C ATOM 70 O VAL A 5 0.250 9.561 -1.638 1.00 0.00 O ATOM 71 CB VAL A 5 3.016 9.131 0.087 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.839 9.458 1.325 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.231 7.845 0.296 1.00 0.00 C ATOM 0 H VAL A 5 0.347 9.796 0.836 1.00 0.00 H new ATOM 0 HA VAL A 5 2.648 11.213 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 5 3.697 8.987 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.504 8.624 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.431 10.355 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.172 9.629 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.919 7.034 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.526 7.978 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.685 7.600 -0.615 1.00 0.00 H new ATOM 83 N GLU A 6 2.109 10.283 -2.679 1.00 0.00 N ATOM 84 CA GLU A 6 1.539 10.171 -4.016 1.00 0.00 C ATOM 85 C GLU A 6 2.612 9.795 -5.034 1.00 0.00 C ATOM 86 O GLU A 6 3.746 10.270 -4.965 1.00 0.00 O ATOM 87 CB GLU A 6 0.861 11.481 -4.423 1.00 0.00 C ATOM 88 CG GLU A 6 0.293 11.483 -5.835 1.00 0.00 C ATOM 89 CD GLU A 6 -0.439 12.763 -6.127 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.710 13.495 -5.205 1.00 0.00 O ATOM 91 OE2 GLU A 6 -0.630 13.066 -7.282 1.00 0.00 O ATOM 0 H GLU A 6 3.084 10.580 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 6 0.789 9.380 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.055 11.693 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.583 12.293 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.101 11.351 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.384 10.638 -5.958 1.00 0.00 H new ATOM 98 N THR A 7 2.245 8.936 -5.981 1.00 0.00 N ATOM 99 CA THR A 7 3.162 8.528 -7.038 1.00 0.00 C ATOM 100 C THR A 7 2.412 8.228 -8.332 1.00 0.00 C ATOM 101 O THR A 7 1.331 7.638 -8.312 1.00 0.00 O ATOM 102 CB THR A 7 3.978 7.288 -6.630 1.00 0.00 C ATOM 103 OG1 THR A 7 5.030 7.070 -7.579 1.00 0.00 O ATOM 104 CG2 THR A 7 3.087 6.056 -6.576 1.00 0.00 C ATOM 0 H THR A 7 1.320 8.510 -6.037 1.00 0.00 H new ATOM 0 HA THR A 7 3.844 9.362 -7.202 1.00 0.00 H new ATOM 0 HB THR A 7 4.402 7.462 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.923 6.186 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.681 5.190 -6.286 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.293 6.213 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.647 5.882 -7.558 1.00 0.00 H new ATOM 112 N THR A 8 2.992 8.639 -9.456 1.00 0.00 N ATOM 113 CA THR A 8 2.403 8.370 -10.762 1.00 0.00 C ATOM 114 C THR A 8 3.197 7.309 -11.516 1.00 0.00 C ATOM 115 O THR A 8 4.412 7.423 -11.670 1.00 0.00 O ATOM 116 CB THR A 8 2.327 9.647 -11.620 1.00 0.00 C ATOM 117 OG1 THR A 8 1.506 10.620 -10.961 1.00 0.00 O ATOM 118 CG2 THR A 8 1.739 9.336 -12.988 1.00 0.00 C ATOM 0 H THR A 8 3.869 9.159 -9.488 1.00 0.00 H new ATOM 0 HA THR A 8 1.392 8.003 -10.582 1.00 0.00 H new ATOM 0 HB THR A 8 3.335 10.040 -11.750 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.460 11.433 -11.507 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.693 10.250 -13.580 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.368 8.605 -13.497 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.735 8.930 -12.869 1.00 0.00 H new ATOM 126 N VAL A 9 2.500 6.278 -11.984 1.00 0.00 N ATOM 127 CA VAL A 9 3.153 5.143 -12.625 1.00 0.00 C ATOM 128 C VAL A 9 2.713 5.007 -14.079 1.00 0.00 C ATOM 129 O VAL A 9 1.565 5.293 -14.420 1.00 0.00 O ATOM 130 CB VAL A 9 2.857 3.827 -11.883 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.381 3.891 -10.456 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.364 3.537 -11.887 1.00 0.00 C ATOM 0 H VAL A 9 1.484 6.206 -11.931 1.00 0.00 H new ATOM 0 HA VAL A 9 4.225 5.334 -12.588 1.00 0.00 H new ATOM 0 HB VAL A 9 3.368 3.017 -12.403 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.163 2.953 -9.946 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.459 4.054 -10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.897 4.712 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.173 2.603 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.834 4.350 -11.390 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.013 3.450 -12.915 1.00 0.00 H new ATOM 142 N ALA A 10 3.633 4.567 -14.931 1.00 0.00 N ATOM 143 CA ALA A 10 3.321 4.332 -16.336 1.00 0.00 C ATOM 144 C ALA A 10 2.841 2.901 -16.559 1.00 0.00 C ATOM 145 O ALA A 10 3.558 2.077 -17.127 1.00 0.00 O ATOM 146 CB ALA A 10 4.539 4.623 -17.201 1.00 0.00 C ATOM 0 H ALA A 10 4.599 4.366 -14.674 1.00 0.00 H new ATOM 0 HA ALA A 10 2.515 5.007 -16.623 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.293 4.444 -18.248 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.837 5.663 -17.071 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.360 3.971 -16.904 1.00 0.00 H new ATOM 152 N ALA A 11 1.625 2.614 -16.107 1.00 0.00 N ATOM 153 CA ALA A 11 1.050 1.282 -16.257 1.00 0.00 C ATOM 154 C ALA A 11 -0.465 1.354 -16.411 1.00 0.00 C ATOM 155 O ALA A 11 -1.104 2.347 -16.063 1.00 0.00 O ATOM 156 CB ALA A 11 1.422 0.411 -15.067 1.00 0.00 C ATOM 0 H ALA A 11 1.019 3.285 -15.634 1.00 0.00 H new ATOM 0 HA ALA A 11 1.460 0.834 -17.162 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.987 -0.580 -15.192 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.507 0.326 -15.004 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.040 0.863 -14.152 1.00 0.00 H new ATOM 162 N PRO A 12 -1.058 0.276 -16.945 1.00 0.00 N ATOM 163 CA PRO A 12 -2.508 0.187 -17.147 1.00 0.00 C ATOM 164 C PRO A 12 -3.271 0.091 -15.830 1.00 0.00 C ATOM 165 O PRO A 12 -2.790 -0.500 -14.863 1.00 0.00 O ATOM 166 CB PRO A 12 -2.686 -1.074 -18.000 1.00 0.00 C ATOM 167 CG PRO A 12 -1.502 -1.917 -17.667 1.00 0.00 C ATOM 168 CD PRO A 12 -0.369 -0.949 -17.458 1.00 0.00 C ATOM 0 HA PRO A 12 -2.910 1.079 -17.628 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.618 -1.586 -17.762 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.717 -0.834 -19.063 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.682 -2.511 -16.771 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.278 -2.616 -18.473 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.360 -1.330 -16.743 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.168 -0.751 -18.386 1.00 0.00 H new ATOM 176 N VAL A 13 -4.463 0.678 -15.799 1.00 0.00 N ATOM 177 CA VAL A 13 -5.203 0.840 -14.553 1.00 0.00 C ATOM 178 C VAL A 13 -5.515 -0.511 -13.919 1.00 0.00 C ATOM 179 O VAL A 13 -5.627 -0.624 -12.700 1.00 0.00 O ATOM 180 CB VAL A 13 -6.518 1.611 -14.772 1.00 0.00 C ATOM 181 CG1 VAL A 13 -6.232 3.032 -15.234 1.00 0.00 C ATOM 182 CG2 VAL A 13 -7.396 0.889 -15.783 1.00 0.00 C ATOM 0 H VAL A 13 -4.937 1.049 -16.622 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.565 1.414 -13.881 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.052 1.658 -13.823 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.173 3.562 -15.384 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.641 3.548 -14.478 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.677 3.005 -16.172 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.321 1.447 -15.926 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.868 0.812 -16.734 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.629 -0.110 -15.415 1.00 0.00 H new ATOM 192 N GLY A 14 -5.653 -1.534 -14.757 1.00 0.00 N ATOM 193 CA GLY A 14 -5.900 -2.874 -14.257 1.00 0.00 C ATOM 194 C GLY A 14 -4.755 -3.398 -13.414 1.00 0.00 C ATOM 195 O GLY A 14 -4.971 -3.970 -12.346 1.00 0.00 O ATOM 0 H GLY A 14 -5.598 -1.459 -15.773 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.814 -2.874 -13.663 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.066 -3.547 -15.098 1.00 0.00 H new ATOM 199 N LYS A 15 -3.531 -3.204 -13.896 1.00 0.00 N ATOM 200 CA LYS A 15 -2.346 -3.652 -13.174 1.00 0.00 C ATOM 201 C LYS A 15 -2.077 -2.762 -11.965 1.00 0.00 C ATOM 202 O LYS A 15 -1.660 -3.239 -10.910 1.00 0.00 O ATOM 203 CB LYS A 15 -1.127 -3.667 -14.100 1.00 0.00 C ATOM 204 CG LYS A 15 -1.174 -4.738 -15.181 1.00 0.00 C ATOM 205 CD LYS A 15 0.155 -4.840 -15.916 1.00 0.00 C ATOM 206 CE LYS A 15 0.035 -5.707 -17.161 1.00 0.00 C ATOM 207 NZ LYS A 15 1.365 -6.028 -17.746 1.00 0.00 N ATOM 0 H LYS A 15 -3.334 -2.740 -14.783 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.530 -4.666 -12.820 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.035 -2.691 -14.576 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.230 -3.814 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.419 -5.701 -14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.968 -4.507 -15.891 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.495 -3.843 -16.196 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.910 -5.259 -15.250 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.484 -6.632 -16.910 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.573 -5.192 -17.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.237 -6.456 -18.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.924 -5.156 -17.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.865 -6.697 -17.126 1.00 0.00 H new ATOM 221 N VAL A 16 -2.320 -1.464 -12.124 1.00 0.00 N ATOM 222 CA VAL A 16 -2.040 -0.498 -11.069 1.00 0.00 C ATOM 223 C VAL A 16 -2.995 -0.674 -9.893 1.00 0.00 C ATOM 224 O VAL A 16 -2.571 -0.732 -8.739 1.00 0.00 O ATOM 225 CB VAL A 16 -2.139 0.949 -11.587 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.982 1.937 -10.441 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.088 1.206 -12.657 1.00 0.00 C ATOM 0 H VAL A 16 -2.710 -1.058 -12.974 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.019 -0.685 -10.735 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.125 1.088 -12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.055 2.954 -10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.769 1.770 -9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.009 1.796 -9.970 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.173 2.233 -13.011 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.095 1.048 -12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.242 0.521 -13.491 1.00 0.00 H new ATOM 237 N TRP A 17 -4.286 -0.758 -10.195 1.00 0.00 N ATOM 238 CA TRP A 17 -5.309 -0.838 -9.159 1.00 0.00 C ATOM 239 C TRP A 17 -5.137 -2.099 -8.321 1.00 0.00 C ATOM 240 O TRP A 17 -5.252 -2.062 -7.095 1.00 0.00 O ATOM 241 CB TRP A 17 -6.706 -0.805 -9.783 1.00 0.00 C ATOM 242 CG TRP A 17 -7.067 0.524 -10.374 1.00 0.00 C ATOM 243 CD1 TRP A 17 -6.389 1.696 -10.219 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.190 0.815 -11.215 1.00 0.00 C ATOM 245 NE1 TRP A 17 -7.020 2.701 -10.910 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.129 2.184 -11.531 1.00 0.00 C ATOM 247 CE3 TRP A 17 -9.242 0.049 -11.731 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.074 2.804 -12.333 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -10.188 0.672 -12.538 1.00 0.00 C ATOM 250 CH2 TRP A 17 -10.106 2.009 -12.830 1.00 0.00 C ATOM 0 H TRP A 17 -4.649 -0.772 -11.148 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.196 0.027 -8.505 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.766 -1.567 -10.560 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.441 -1.067 -9.022 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.487 1.817 -9.637 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.714 3.673 -10.954 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.317 -1.005 -11.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.014 3.857 -12.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.003 0.091 -12.943 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.859 2.458 -13.461 1.00 0.00 H new ATOM 261 N ARG A 18 -4.863 -3.216 -8.988 1.00 0.00 N ATOM 262 CA ARG A 18 -4.757 -4.502 -8.312 1.00 0.00 C ATOM 263 C ARG A 18 -3.525 -4.544 -7.413 1.00 0.00 C ATOM 264 O ARG A 18 -3.515 -5.231 -6.391 1.00 0.00 O ATOM 265 CB ARG A 18 -4.776 -5.668 -9.290 1.00 0.00 C ATOM 266 CG ARG A 18 -6.126 -5.942 -9.934 1.00 0.00 C ATOM 267 CD ARG A 18 -6.120 -7.051 -10.921 1.00 0.00 C ATOM 268 NE ARG A 18 -7.416 -7.337 -11.514 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.634 -8.258 -12.473 1.00 0.00 C ATOM 270 NH1 ARG A 18 -6.641 -8.957 -12.977 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.869 -8.424 -12.912 1.00 0.00 N ATOM 0 H ARG A 18 -4.711 -3.255 -9.996 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.639 -4.611 -7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.047 -5.475 -10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.450 -6.567 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.848 -6.172 -9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.470 -5.034 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.416 -6.808 -11.717 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.751 -7.953 -10.433 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.218 -6.802 -11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.689 -8.806 -12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.822 -9.651 -13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.628 -7.862 -12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.064 -9.114 -13.638 1.00 0.00 H new ATOM 285 N ALA A 19 -2.491 -3.806 -7.799 1.00 0.00 N ATOM 286 CA ALA A 19 -1.198 -3.895 -7.133 1.00 0.00 C ATOM 287 C ALA A 19 -1.240 -3.227 -5.762 1.00 0.00 C ATOM 288 O ALA A 19 -0.313 -3.367 -4.964 1.00 0.00 O ATOM 289 CB ALA A 19 -0.115 -3.265 -7.996 1.00 0.00 C ATOM 0 H ALA A 19 -2.523 -3.139 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.964 -4.950 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.845 -3.339 -7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.060 -3.788 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.353 -2.216 -8.171 1.00 0.00 H new ATOM 295 N TYR A 20 -2.320 -2.501 -5.495 1.00 0.00 N ATOM 296 CA TYR A 20 -2.414 -1.686 -4.291 1.00 0.00 C ATOM 297 C TYR A 20 -2.266 -2.544 -3.038 1.00 0.00 C ATOM 298 O TYR A 20 -1.827 -2.066 -1.992 1.00 0.00 O ATOM 299 CB TYR A 20 -3.744 -0.930 -4.258 1.00 0.00 C ATOM 300 CG TYR A 20 -4.871 -1.700 -3.607 1.00 0.00 C ATOM 301 CD1 TYR A 20 -5.463 -2.775 -4.252 1.00 0.00 C ATOM 302 CD2 TYR A 20 -5.341 -1.349 -2.349 1.00 0.00 C ATOM 303 CE1 TYR A 20 -6.493 -3.483 -3.662 1.00 0.00 C ATOM 304 CE2 TYR A 20 -6.369 -2.051 -1.749 1.00 0.00 C ATOM 305 CZ TYR A 20 -6.943 -3.118 -2.411 1.00 0.00 C ATOM 306 OH TYR A 20 -7.969 -3.818 -1.819 1.00 0.00 O ATOM 0 H TYR A 20 -3.143 -2.461 -6.097 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.599 -0.963 -4.310 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.603 0.010 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.032 -0.677 -5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.113 -3.064 -5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.896 -0.513 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.943 -4.318 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.721 -1.767 -0.768 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.821 -3.859 -0.851 1.00 0.00 H new ATOM 316 N THR A 21 -2.633 -3.815 -3.154 1.00 0.00 N ATOM 317 CA THR A 21 -2.343 -4.793 -2.112 1.00 0.00 C ATOM 318 C THR A 21 -2.008 -6.153 -2.712 1.00 0.00 C ATOM 319 O THR A 21 -2.783 -7.102 -2.599 1.00 0.00 O ATOM 320 CB THR A 21 -3.527 -4.949 -1.139 1.00 0.00 C ATOM 321 OG1 THR A 21 -3.960 -3.657 -0.698 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.119 -5.783 0.066 1.00 0.00 C ATOM 0 H THR A 21 -3.132 -4.193 -3.959 1.00 0.00 H new ATOM 0 HA THR A 21 -1.479 -4.420 -1.561 1.00 0.00 H new ATOM 0 HB THR A 21 -4.342 -5.454 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.659 -3.323 -1.299 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.967 -5.883 0.743 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.801 -6.771 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.296 -5.293 0.586 1.00 0.00 H new ATOM 330 N THR A 22 -0.845 -6.242 -3.351 1.00 0.00 N ATOM 331 CA THR A 22 -0.328 -7.520 -3.824 1.00 0.00 C ATOM 332 C THR A 22 0.840 -7.993 -2.966 1.00 0.00 C ATOM 333 O THR A 22 1.791 -7.253 -2.708 1.00 0.00 O ATOM 334 CB THR A 22 0.127 -7.438 -5.293 1.00 0.00 C ATOM 335 OG1 THR A 22 -0.991 -7.103 -6.124 1.00 0.00 O ATOM 336 CG2 THR A 22 0.710 -8.767 -5.746 1.00 0.00 C ATOM 0 H THR A 22 -0.243 -5.443 -3.553 1.00 0.00 H new ATOM 0 HA THR A 22 -1.146 -8.237 -3.747 1.00 0.00 H new ATOM 0 HB THR A 22 0.895 -6.669 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.741 -7.205 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.026 -8.690 -6.786 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.569 -9.019 -5.124 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.046 -9.547 -5.653 1.00 0.00 H new ATOM 344 N PRO A 23 0.771 -9.253 -2.513 1.00 0.00 N ATOM 345 CA PRO A 23 1.788 -9.834 -1.632 1.00 0.00 C ATOM 346 C PRO A 23 3.158 -9.904 -2.296 1.00 0.00 C ATOM 347 O PRO A 23 4.186 -9.745 -1.639 1.00 0.00 O ATOM 348 CB PRO A 23 1.256 -11.243 -1.357 1.00 0.00 C ATOM 349 CG PRO A 23 0.262 -11.490 -2.439 1.00 0.00 C ATOM 350 CD PRO A 23 -0.363 -10.157 -2.739 1.00 0.00 C ATOM 0 HA PRO A 23 1.937 -9.236 -0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.058 -11.981 -1.380 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.793 -11.306 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.744 -11.903 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.491 -12.211 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.738 -10.099 -3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.202 -9.938 -2.079 1.00 0.00 H new ATOM 358 N GLU A 24 3.166 -10.140 -3.604 1.00 0.00 N ATOM 359 CA GLU A 24 4.403 -10.123 -4.377 1.00 0.00 C ATOM 360 C GLU A 24 5.045 -8.739 -4.344 1.00 0.00 C ATOM 361 O GLU A 24 6.269 -8.611 -4.292 1.00 0.00 O ATOM 362 CB GLU A 24 4.140 -10.549 -5.822 1.00 0.00 C ATOM 363 CG GLU A 24 3.802 -12.024 -5.991 1.00 0.00 C ATOM 364 CD GLU A 24 4.919 -12.900 -5.498 1.00 0.00 C ATOM 365 OE1 GLU A 24 6.038 -12.687 -5.899 1.00 0.00 O ATOM 366 OE2 GLU A 24 4.675 -13.710 -4.635 1.00 0.00 O ATOM 0 H GLU A 24 2.330 -10.345 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 24 5.094 -10.834 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.319 -9.953 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.021 -10.319 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.888 -12.255 -5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.607 -12.237 -7.042 1.00 0.00 H new ATOM 373 N ASP A 25 4.212 -7.706 -4.375 1.00 0.00 N ATOM 374 CA ASP A 25 4.687 -6.335 -4.221 1.00 0.00 C ATOM 375 C ASP A 25 5.127 -6.071 -2.785 1.00 0.00 C ATOM 376 O ASP A 25 6.127 -5.393 -2.546 1.00 0.00 O ATOM 377 CB ASP A 25 3.598 -5.339 -4.631 1.00 0.00 C ATOM 378 CG ASP A 25 4.042 -3.882 -4.619 1.00 0.00 C ATOM 379 OD1 ASP A 25 4.954 -3.553 -5.340 1.00 0.00 O ATOM 380 OD2 ASP A 25 3.369 -3.084 -4.013 1.00 0.00 O ATOM 0 H ASP A 25 3.204 -7.791 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 25 5.548 -6.201 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.250 -5.592 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.747 -5.453 -3.959 1.00 0.00 H new ATOM 385 N ILE A 26 4.373 -6.608 -1.832 1.00 0.00 N ATOM 386 CA ILE A 26 4.690 -6.436 -0.420 1.00 0.00 C ATOM 387 C ILE A 26 6.040 -7.057 -0.079 1.00 0.00 C ATOM 388 O ILE A 26 6.751 -6.579 0.805 1.00 0.00 O ATOM 389 CB ILE A 26 3.607 -7.056 0.482 1.00 0.00 C ATOM 390 CG1 ILE A 26 2.307 -6.254 0.383 1.00 0.00 C ATOM 391 CG2 ILE A 26 4.088 -7.120 1.923 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.119 -6.937 1.023 1.00 0.00 C ATOM 0 H ILE A 26 3.538 -7.166 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 26 4.731 -5.362 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 26 3.411 -8.072 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.453 -5.282 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.085 -6.068 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.310 -7.561 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.988 -7.732 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.310 -6.113 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.235 -6.309 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.945 -7.897 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.319 -7.099 2.082 1.00 0.00 H new ATOM 404 N LYS A 27 6.389 -8.125 -0.788 1.00 0.00 N ATOM 405 CA LYS A 27 7.696 -8.754 -0.632 1.00 0.00 C ATOM 406 C LYS A 27 8.816 -7.770 -0.960 1.00 0.00 C ATOM 407 O LYS A 27 9.937 -7.912 -0.477 1.00 0.00 O ATOM 408 CB LYS A 27 7.804 -9.993 -1.521 1.00 0.00 C ATOM 409 CG LYS A 27 7.015 -11.196 -1.023 1.00 0.00 C ATOM 410 CD LYS A 27 7.092 -12.355 -2.005 1.00 0.00 C ATOM 411 CE LYS A 27 6.352 -13.577 -1.481 1.00 0.00 C ATOM 412 NZ LYS A 27 6.334 -14.685 -2.474 1.00 0.00 N ATOM 0 H LYS A 27 5.785 -8.574 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 27 7.802 -9.060 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.459 -9.737 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.854 -10.273 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.402 -11.512 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.973 -10.913 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.666 -12.052 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.136 -12.610 -2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.826 -13.921 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.329 -13.300 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.942 -15.541 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.744 -14.414 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.303 -14.876 -2.799 1.00 0.00 H new ATOM 426 N GLN A 28 8.500 -6.774 -1.781 1.00 0.00 N ATOM 427 CA GLN A 28 9.443 -5.702 -2.078 1.00 0.00 C ATOM 428 C GLN A 28 9.436 -4.650 -0.975 1.00 0.00 C ATOM 429 O GLN A 28 10.342 -3.821 -0.889 1.00 0.00 O ATOM 430 CB GLN A 28 9.107 -5.049 -3.422 1.00 0.00 C ATOM 431 CG GLN A 28 9.144 -6.001 -4.604 1.00 0.00 C ATOM 432 CD GLN A 28 10.502 -6.654 -4.779 1.00 0.00 C ATOM 433 OE1 GLN A 28 11.537 -5.983 -4.749 1.00 0.00 O ATOM 434 NE2 GLN A 28 10.506 -7.968 -4.968 1.00 0.00 N ATOM 0 H GLN A 28 7.599 -6.687 -2.252 1.00 0.00 H new ATOM 0 HA GLN A 28 10.440 -6.139 -2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.114 -4.605 -3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.809 -4.235 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.387 -6.774 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.885 -5.458 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.626 -8.483 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.389 -8.462 -5.096 1.00 0.00 H new ATOM 443 N TRP A 29 8.408 -4.687 -0.134 1.00 0.00 N ATOM 444 CA TRP A 29 8.311 -3.769 0.994 1.00 0.00 C ATOM 445 C TRP A 29 8.955 -4.369 2.240 1.00 0.00 C ATOM 446 O TRP A 29 8.620 -3.994 3.364 1.00 0.00 O ATOM 447 CB TRP A 29 6.848 -3.418 1.273 1.00 0.00 C ATOM 448 CG TRP A 29 6.176 -2.710 0.136 1.00 0.00 C ATOM 449 CD1 TRP A 29 6.754 -2.308 -1.030 1.00 0.00 C ATOM 450 CD2 TRP A 29 4.798 -2.324 0.057 1.00 0.00 C ATOM 451 NE1 TRP A 29 5.825 -1.692 -1.832 1.00 0.00 N ATOM 452 CE2 TRP A 29 4.614 -1.691 -1.186 1.00 0.00 C ATOM 453 CE3 TRP A 29 3.701 -2.452 0.918 1.00 0.00 C ATOM 454 CZ2 TRP A 29 3.386 -1.188 -1.589 1.00 0.00 C ATOM 455 CZ3 TRP A 29 2.471 -1.950 0.512 1.00 0.00 C ATOM 456 CH2 TRP A 29 2.318 -1.337 -0.706 1.00 0.00 C ATOM 0 H TRP A 29 7.631 -5.343 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 29 8.848 -2.857 0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.299 -4.333 1.496 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.796 -2.790 2.163 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.793 -2.453 -1.287 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.005 -1.300 -2.756 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.809 -2.932 1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.263 -0.702 -2.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.618 -2.044 1.168 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.346 -0.961 -0.988 1.00 0.00 H new ATOM 467 N ASN A 30 9.877 -5.302 2.034 1.00 0.00 N ATOM 468 CA ASN A 30 10.429 -6.086 3.132 1.00 0.00 C ATOM 469 C ASN A 30 11.191 -5.196 4.109 1.00 0.00 C ATOM 470 O ASN A 30 11.461 -4.031 3.821 1.00 0.00 O ATOM 471 CB ASN A 30 11.326 -7.200 2.623 1.00 0.00 C ATOM 472 CG ASN A 30 12.571 -6.711 1.939 1.00 0.00 C ATOM 473 OD1 ASN A 30 13.362 -5.954 2.512 1.00 0.00 O ATOM 474 ND2 ASN A 30 12.707 -7.072 0.689 1.00 0.00 N ATOM 0 H ASN A 30 10.258 -5.534 1.117 1.00 0.00 H new ATOM 0 HA ASN A 30 9.591 -6.542 3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.609 -7.837 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.760 -7.820 1.928 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.495 -6.726 0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.026 -7.700 0.262 1.00 0.00 H new ATOM 481 N ALA A 31 11.539 -5.755 5.263 1.00 0.00 N ATOM 482 CA ALA A 31 12.116 -4.972 6.349 1.00 0.00 C ATOM 483 C ALA A 31 13.606 -4.736 6.123 1.00 0.00 C ATOM 484 O ALA A 31 14.069 -3.596 6.114 1.00 0.00 O ATOM 485 CB ALA A 31 11.885 -5.667 7.683 1.00 0.00 C ATOM 0 H ALA A 31 11.431 -6.748 5.470 1.00 0.00 H new ATOM 0 HA ALA A 31 11.620 -4.002 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.321 -5.071 8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.814 -5.778 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.354 -6.651 7.667 1.00 0.00 H new ATOM 491 N ALA A 32 14.351 -5.822 5.943 1.00 0.00 N ATOM 492 CA ALA A 32 15.804 -5.748 5.884 1.00 0.00 C ATOM 493 C ALA A 32 16.305 -5.902 4.453 1.00 0.00 C ATOM 494 O ALA A 32 16.865 -4.968 3.877 1.00 0.00 O ATOM 495 CB ALA A 32 16.423 -6.812 6.779 1.00 0.00 C ATOM 0 H ALA A 32 13.971 -6.763 5.836 1.00 0.00 H new ATOM 0 HA ALA A 32 16.107 -4.764 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.510 -6.745 6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.100 -6.655 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.103 -7.799 6.445 1.00 0.00 H new ATOM 501 N SER A 33 16.101 -7.084 3.882 1.00 0.00 N ATOM 502 CA SER A 33 16.604 -7.387 2.547 1.00 0.00 C ATOM 503 C SER A 33 15.842 -8.555 1.932 1.00 0.00 C ATOM 504 O SER A 33 15.290 -9.395 2.642 1.00 0.00 O ATOM 505 CB SER A 33 18.089 -7.693 2.603 1.00 0.00 C ATOM 506 OG SER A 33 18.575 -8.169 1.379 1.00 0.00 O ATOM 0 H SER A 33 15.590 -7.849 4.323 1.00 0.00 H new ATOM 0 HA SER A 33 16.450 -6.512 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.634 -6.792 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.277 -8.434 3.380 1.00 0.00 H new ATOM 0 HG SER A 33 19.535 -8.352 1.457 1.00 0.00 H new ATOM 512 N ASP A 34 15.815 -8.602 0.604 1.00 0.00 N ATOM 513 CA ASP A 34 15.167 -9.696 -0.109 1.00 0.00 C ATOM 514 C ASP A 34 16.022 -10.959 -0.060 1.00 0.00 C ATOM 515 O ASP A 34 15.646 -11.996 -0.605 1.00 0.00 O ATOM 516 CB ASP A 34 14.890 -9.301 -1.563 1.00 0.00 C ATOM 517 CG ASP A 34 16.139 -9.019 -2.387 1.00 0.00 C ATOM 518 OD1 ASP A 34 17.217 -9.110 -1.847 1.00 0.00 O ATOM 519 OD2 ASP A 34 16.019 -8.870 -3.579 1.00 0.00 O ATOM 0 H ASP A 34 16.234 -7.895 0.000 1.00 0.00 H new ATOM 0 HA ASP A 34 14.217 -9.904 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.326 -10.101 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.256 -8.414 -1.571 1.00 0.00 H new ATOM 524 N ASP A 35 17.173 -10.862 0.595 1.00 0.00 N ATOM 525 CA ASP A 35 18.062 -12.008 0.753 1.00 0.00 C ATOM 526 C ASP A 35 18.091 -12.477 2.204 1.00 0.00 C ATOM 527 O ASP A 35 18.103 -13.678 2.478 1.00 0.00 O ATOM 528 CB ASP A 35 19.476 -11.660 0.280 1.00 0.00 C ATOM 529 CG ASP A 35 19.576 -11.303 -1.196 1.00 0.00 C ATOM 530 OD1 ASP A 35 19.144 -12.088 -2.008 1.00 0.00 O ATOM 531 OD2 ASP A 35 19.934 -10.188 -1.494 1.00 0.00 O ATOM 0 H ASP A 35 17.513 -10.002 1.025 1.00 0.00 H new ATOM 0 HA ASP A 35 17.678 -12.821 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.847 -10.822 0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.132 -12.507 0.482 1.00 0.00 H new ATOM 536 N TRP A 36 18.104 -11.524 3.129 1.00 0.00 N ATOM 537 CA TRP A 36 18.242 -11.836 4.546 1.00 0.00 C ATOM 538 C TRP A 36 16.875 -11.949 5.214 1.00 0.00 C ATOM 539 O TRP A 36 16.745 -12.529 6.291 1.00 0.00 O ATOM 540 CB TRP A 36 19.085 -10.771 5.250 1.00 0.00 C ATOM 541 CG TRP A 36 20.514 -10.747 4.801 1.00 0.00 C ATOM 542 CD1 TRP A 36 21.057 -9.930 3.853 1.00 0.00 C ATOM 543 CD2 TRP A 36 21.583 -11.573 5.279 1.00 0.00 C ATOM 544 NE1 TRP A 36 22.396 -10.198 3.709 1.00 0.00 N ATOM 545 CE2 TRP A 36 22.743 -11.203 4.577 1.00 0.00 C ATOM 546 CE3 TRP A 36 21.668 -12.592 6.236 1.00 0.00 C ATOM 547 CZ2 TRP A 36 23.970 -11.811 4.796 1.00 0.00 C ATOM 548 CZ3 TRP A 36 22.898 -13.201 6.455 1.00 0.00 C ATOM 549 CH2 TRP A 36 24.016 -12.821 5.757 1.00 0.00 C ATOM 0 H TRP A 36 18.021 -10.529 2.923 1.00 0.00 H new ATOM 0 HA TRP A 36 18.748 -12.798 4.631 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.640 -9.792 5.073 1.00 0.00 H new ATOM 0 HB3 TRP A 36 19.053 -10.946 6.325 1.00 0.00 H new ATOM 0 HD1 TRP A 36 20.513 -9.181 3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 36 23.029 -9.727 3.063 1.00 0.00 H new ATOM 0 HE3 TRP A 36 20.795 -12.899 6.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 24.851 -11.515 4.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 22.975 -13.989 7.189 1.00 0.00 H new ATOM 0 HH2 TRP A 36 24.955 -13.316 5.956 1.00 0.00 H new ATOM 560 N HIS A 37 15.857 -11.389 4.566 1.00 0.00 N ATOM 561 CA HIS A 37 14.542 -11.254 5.180 1.00 0.00 C ATOM 562 C HIS A 37 13.471 -11.924 4.322 1.00 0.00 C ATOM 563 O HIS A 37 13.473 -11.799 3.097 1.00 0.00 O ATOM 564 CB HIS A 37 14.194 -9.778 5.400 1.00 0.00 C ATOM 565 CG HIS A 37 12.901 -9.566 6.124 1.00 0.00 C ATOM 566 ND1 HIS A 37 11.691 -9.456 5.471 1.00 0.00 N ATOM 567 CD2 HIS A 37 12.628 -9.444 7.444 1.00 0.00 C ATOM 568 CE1 HIS A 37 10.730 -9.276 6.359 1.00 0.00 C ATOM 569 NE2 HIS A 37 11.272 -9.264 7.563 1.00 0.00 N ATOM 0 H HIS A 37 15.919 -11.022 3.616 1.00 0.00 H new ATOM 0 HA HIS A 37 14.572 -11.752 6.149 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.998 -9.305 5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.145 -9.277 4.433 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.343 -9.481 8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.679 -9.159 6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.765 -9.141 8.440 1.00 0.00 H new ATOM 576 N THR A 38 12.557 -12.635 4.975 1.00 0.00 N ATOM 577 CA THR A 38 11.478 -13.319 4.274 1.00 0.00 C ATOM 578 C THR A 38 10.139 -12.635 4.527 1.00 0.00 C ATOM 579 O THR A 38 9.783 -12.347 5.671 1.00 0.00 O ATOM 580 CB THR A 38 11.377 -14.797 4.693 1.00 0.00 C ATOM 581 OG1 THR A 38 12.599 -15.473 4.370 1.00 0.00 O ATOM 582 CG2 THR A 38 10.220 -15.477 3.978 1.00 0.00 C ATOM 0 H THR A 38 12.543 -12.752 5.988 1.00 0.00 H new ATOM 0 HA THR A 38 11.713 -13.270 3.211 1.00 0.00 H new ATOM 0 HB THR A 38 11.202 -14.843 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.534 -16.413 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.164 -16.521 4.287 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.288 -14.973 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.377 -15.425 2.901 1.00 0.00 H new ATOM 590 N THR A 39 9.397 -12.381 3.453 1.00 0.00 N ATOM 591 CA THR A 39 8.108 -11.709 3.557 1.00 0.00 C ATOM 592 C THR A 39 6.997 -12.555 2.944 1.00 0.00 C ATOM 593 O THR A 39 7.129 -13.057 1.828 1.00 0.00 O ATOM 594 CB THR A 39 8.130 -10.333 2.867 1.00 0.00 C ATOM 595 OG1 THR A 39 9.128 -9.506 3.480 1.00 0.00 O ATOM 596 CG2 THR A 39 6.774 -9.655 2.984 1.00 0.00 C ATOM 0 H THR A 39 9.667 -12.631 2.502 1.00 0.00 H new ATOM 0 HA THR A 39 7.912 -11.568 4.620 1.00 0.00 H new ATOM 0 HB THR A 39 8.363 -10.476 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.037 -8.587 3.153 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.809 -8.684 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.014 -10.276 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.525 -9.518 4.036 1.00 0.00 H new ATOM 604 N ALA A 40 5.902 -12.708 3.682 1.00 0.00 N ATOM 605 CA ALA A 40 4.715 -13.372 3.157 1.00 0.00 C ATOM 606 C ALA A 40 3.453 -12.578 3.481 1.00 0.00 C ATOM 607 O ALA A 40 3.315 -12.033 4.575 1.00 0.00 O ATOM 608 CB ALA A 40 4.609 -14.784 3.716 1.00 0.00 C ATOM 0 H ALA A 40 5.812 -12.381 4.644 1.00 0.00 H new ATOM 0 HA ALA A 40 4.810 -13.428 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.718 -15.268 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.492 -15.356 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.541 -14.741 4.803 1.00 0.00 H new ATOM 614 N ALA A 41 2.537 -12.516 2.522 1.00 0.00 N ATOM 615 CA ALA A 41 1.306 -11.752 2.688 1.00 0.00 C ATOM 616 C ALA A 41 0.112 -12.502 2.106 1.00 0.00 C ATOM 617 O ALA A 41 0.208 -13.116 1.043 1.00 0.00 O ATOM 618 CB ALA A 41 1.441 -10.384 2.036 1.00 0.00 C ATOM 0 H ALA A 41 2.623 -12.986 1.621 1.00 0.00 H new ATOM 0 HA ALA A 41 1.133 -11.617 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.515 -9.825 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.263 -9.839 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.642 -10.506 0.972 1.00 0.00 H new ATOM 624 N THR A 42 -1.015 -12.448 2.810 1.00 0.00 N ATOM 625 CA THR A 42 -2.269 -12.974 2.287 1.00 0.00 C ATOM 626 C THR A 42 -3.391 -11.951 2.416 1.00 0.00 C ATOM 627 O THR A 42 -3.605 -11.383 3.487 1.00 0.00 O ATOM 628 CB THR A 42 -2.683 -14.270 3.007 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.662 -15.263 2.836 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.996 -14.797 2.447 1.00 0.00 C ATOM 0 H THR A 42 -1.084 -12.045 3.744 1.00 0.00 H new ATOM 0 HA THR A 42 -2.102 -13.194 1.233 1.00 0.00 H new ATOM 0 HB THR A 42 -2.814 -14.052 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.926 -16.087 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.272 -15.713 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.777 -14.050 2.587 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.880 -15.006 1.383 1.00 0.00 H new ATOM 638 N VAL A 43 -4.107 -11.722 1.321 1.00 0.00 N ATOM 639 CA VAL A 43 -5.137 -10.690 1.283 1.00 0.00 C ATOM 640 C VAL A 43 -6.404 -11.203 0.607 1.00 0.00 C ATOM 641 O VAL A 43 -6.343 -11.864 -0.429 1.00 0.00 O ATOM 642 CB VAL A 43 -4.645 -9.432 0.540 1.00 0.00 C ATOM 643 CG1 VAL A 43 -4.182 -9.789 -0.865 1.00 0.00 C ATOM 644 CG2 VAL A 43 -5.741 -8.377 0.496 1.00 0.00 C ATOM 0 H VAL A 43 -3.993 -12.237 0.448 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.361 -10.428 2.317 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.795 -9.019 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.838 -8.889 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.365 -10.508 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.011 -10.226 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.377 -7.496 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.611 -8.778 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.021 -8.101 1.513 1.00 0.00 H new ATOM 654 N ASP A 44 -7.551 -10.894 1.201 1.00 0.00 N ATOM 655 CA ASP A 44 -8.830 -11.037 0.517 1.00 0.00 C ATOM 656 C ASP A 44 -9.297 -9.700 -0.050 1.00 0.00 C ATOM 657 O ASP A 44 -9.714 -8.812 0.692 1.00 0.00 O ATOM 658 CB ASP A 44 -9.888 -11.607 1.466 1.00 0.00 C ATOM 659 CG ASP A 44 -11.243 -11.861 0.818 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.394 -11.548 -0.339 1.00 0.00 O ATOM 661 OD2 ASP A 44 -12.060 -12.504 1.431 1.00 0.00 O ATOM 0 H ASP A 44 -7.621 -10.542 2.156 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.692 -11.732 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.517 -12.543 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.021 -10.917 2.299 1.00 0.00 H new ATOM 666 N LEU A 45 -9.221 -9.564 -1.370 1.00 0.00 N ATOM 667 CA LEU A 45 -9.455 -8.280 -2.020 1.00 0.00 C ATOM 668 C LEU A 45 -10.949 -8.006 -2.162 1.00 0.00 C ATOM 669 O LEU A 45 -11.568 -8.376 -3.159 1.00 0.00 O ATOM 670 CB LEU A 45 -8.773 -8.247 -3.394 1.00 0.00 C ATOM 671 CG LEU A 45 -7.238 -8.243 -3.360 1.00 0.00 C ATOM 672 CD1 LEU A 45 -6.685 -8.323 -4.777 1.00 0.00 C ATOM 673 CD2 LEU A 45 -6.748 -6.985 -2.660 1.00 0.00 C ATOM 0 H LEU A 45 -8.999 -10.327 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.024 -7.498 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.106 -9.112 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.111 -7.360 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.884 -9.112 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.596 -8.320 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.030 -9.242 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.033 -7.465 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.658 -6.983 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.101 -6.107 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.133 -6.962 -1.641 1.00 0.00 H new ATOM 685 N ARG A 46 -11.522 -7.351 -1.156 1.00 0.00 N ATOM 686 CA ARG A 46 -12.933 -6.985 -1.189 1.00 0.00 C ATOM 687 C ARG A 46 -13.262 -5.990 -0.079 1.00 0.00 C ATOM 688 O ARG A 46 -12.546 -5.899 0.917 1.00 0.00 O ATOM 689 CB ARG A 46 -13.845 -8.201 -1.139 1.00 0.00 C ATOM 690 CG ARG A 46 -13.781 -8.996 0.156 1.00 0.00 C ATOM 691 CD ARG A 46 -14.662 -10.191 0.185 1.00 0.00 C ATOM 692 NE ARG A 46 -14.458 -11.062 1.331 1.00 0.00 N ATOM 693 CZ ARG A 46 -15.063 -10.909 2.525 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.880 -9.903 2.747 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.796 -11.786 3.478 1.00 0.00 N ATOM 0 H ARG A 46 -11.031 -7.064 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.119 -6.497 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.873 -7.873 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.591 -8.862 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.752 -9.314 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.050 -8.341 0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.701 -9.861 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.502 -10.767 -0.726 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.812 -11.844 1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.064 -9.223 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.330 -9.802 3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.147 -12.552 3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.239 -11.696 4.392 1.00 0.00 H new ATOM 709 N GLU A 47 -14.349 -5.246 -0.261 1.00 0.00 N ATOM 710 CA GLU A 47 -14.883 -4.403 0.801 1.00 0.00 C ATOM 711 C GLU A 47 -15.295 -5.241 2.008 1.00 0.00 C ATOM 712 O GLU A 47 -16.137 -6.131 1.899 1.00 0.00 O ATOM 713 CB GLU A 47 -16.073 -3.587 0.293 1.00 0.00 C ATOM 714 CG GLU A 47 -16.616 -2.577 1.293 1.00 0.00 C ATOM 715 CD GLU A 47 -17.594 -1.637 0.644 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.221 -0.979 -0.297 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.744 -1.658 1.016 1.00 0.00 O ATOM 0 H GLU A 47 -14.876 -5.210 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.096 -3.717 1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.775 -3.059 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.875 -4.271 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.103 -3.102 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.792 -2.008 1.722 1.00 0.00 H new ATOM 724 N GLY A 48 -14.694 -4.950 3.157 1.00 0.00 N ATOM 725 CA GLY A 48 -14.941 -5.747 4.345 1.00 0.00 C ATOM 726 C GLY A 48 -13.979 -6.911 4.472 1.00 0.00 C ATOM 727 O GLY A 48 -13.958 -7.600 5.492 1.00 0.00 O ATOM 0 H GLY A 48 -14.041 -4.177 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.858 -5.113 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.963 -6.125 4.319 1.00 0.00 H new ATOM 731 N GLY A 49 -13.180 -7.134 3.432 1.00 0.00 N ATOM 732 CA GLY A 49 -12.275 -8.269 3.422 1.00 0.00 C ATOM 733 C GLY A 49 -11.082 -8.067 4.333 1.00 0.00 C ATOM 734 O GLY A 49 -10.669 -6.936 4.585 1.00 0.00 O ATOM 0 H GLY A 49 -13.143 -6.549 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.816 -9.164 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.926 -8.442 2.404 1.00 0.00 H new ATOM 738 N ALA A 50 -10.526 -9.168 4.829 1.00 0.00 N ATOM 739 CA ALA A 50 -9.394 -9.104 5.746 1.00 0.00 C ATOM 740 C ALA A 50 -8.079 -9.351 5.013 1.00 0.00 C ATOM 741 O ALA A 50 -8.040 -10.069 4.013 1.00 0.00 O ATOM 742 CB ALA A 50 -9.570 -10.114 6.872 1.00 0.00 C ATOM 0 H ALA A 50 -10.841 -10.114 4.612 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.359 -8.102 6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.718 -10.056 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.485 -9.892 7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.633 -11.118 6.453 1.00 0.00 H new ATOM 748 N PHE A 51 -7.006 -8.751 5.515 1.00 0.00 N ATOM 749 CA PHE A 51 -5.672 -8.999 4.982 1.00 0.00 C ATOM 750 C PHE A 51 -4.640 -9.056 6.105 1.00 0.00 C ATOM 751 O PHE A 51 -4.837 -8.480 7.174 1.00 0.00 O ATOM 752 CB PHE A 51 -5.292 -7.920 3.968 1.00 0.00 C ATOM 753 CG PHE A 51 -5.282 -6.530 4.537 1.00 0.00 C ATOM 754 CD1 PHE A 51 -4.138 -6.014 5.128 1.00 0.00 C ATOM 755 CD2 PHE A 51 -6.417 -5.735 4.484 1.00 0.00 C ATOM 756 CE1 PHE A 51 -4.129 -4.735 5.652 1.00 0.00 C ATOM 757 CE2 PHE A 51 -6.411 -4.456 5.006 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.264 -3.956 5.591 1.00 0.00 C ATOM 0 H PHE A 51 -7.034 -8.089 6.291 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.683 -9.965 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.304 -8.145 3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.992 -7.956 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.244 -6.618 5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.317 -6.121 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.232 -4.346 6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.302 -3.848 4.957 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.257 -2.956 6.000 1.00 0.00 H new ATOM 768 N SER A 52 -3.537 -9.755 5.852 1.00 0.00 N ATOM 769 CA SER A 52 -2.504 -9.945 6.864 1.00 0.00 C ATOM 770 C SER A 52 -1.146 -10.187 6.214 1.00 0.00 C ATOM 771 O SER A 52 -1.052 -10.819 5.163 1.00 0.00 O ATOM 772 CB SER A 52 -2.871 -11.100 7.776 1.00 0.00 C ATOM 773 OG SER A 52 -1.880 -11.348 8.735 1.00 0.00 O ATOM 0 H SER A 52 -3.336 -10.199 4.956 1.00 0.00 H new ATOM 0 HA SER A 52 -2.435 -9.036 7.461 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.814 -10.880 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.029 -11.998 7.178 1.00 0.00 H new ATOM 0 HG SER A 52 -1.458 -10.503 8.995 1.00 0.00 H new ATOM 779 N SER A 53 -0.094 -9.677 6.849 1.00 0.00 N ATOM 780 CA SER A 53 1.261 -9.846 6.340 1.00 0.00 C ATOM 781 C SER A 53 2.206 -10.301 7.449 1.00 0.00 C ATOM 782 O SER A 53 2.298 -9.665 8.501 1.00 0.00 O ATOM 783 CB SER A 53 1.753 -8.553 5.721 1.00 0.00 C ATOM 784 OG SER A 53 3.062 -8.665 5.236 1.00 0.00 O ATOM 0 H SER A 53 -0.155 -9.144 7.716 1.00 0.00 H new ATOM 0 HA SER A 53 1.245 -10.619 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.088 -8.266 4.906 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.709 -7.756 6.464 1.00 0.00 H new ATOM 0 HG SER A 53 3.340 -7.811 4.844 1.00 0.00 H new ATOM 790 N ARG A 54 2.903 -11.405 7.206 1.00 0.00 N ATOM 791 CA ARG A 54 3.848 -11.941 8.181 1.00 0.00 C ATOM 792 C ARG A 54 5.285 -11.760 7.701 1.00 0.00 C ATOM 793 O ARG A 54 5.661 -12.252 6.638 1.00 0.00 O ATOM 794 CB ARG A 54 3.553 -13.392 8.531 1.00 0.00 C ATOM 795 CG ARG A 54 4.410 -13.968 9.646 1.00 0.00 C ATOM 796 CD ARG A 54 4.165 -15.405 9.928 1.00 0.00 C ATOM 797 NE ARG A 54 5.045 -15.982 10.931 1.00 0.00 N ATOM 798 CZ ARG A 54 4.791 -15.997 12.254 1.00 0.00 C ATOM 799 NH1 ARG A 54 3.707 -15.436 12.742 1.00 0.00 N ATOM 800 NH2 ARG A 54 5.675 -16.569 13.053 1.00 0.00 N ATOM 0 H ARG A 54 2.833 -11.946 6.344 1.00 0.00 H new ATOM 0 HA ARG A 54 3.725 -11.369 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.505 -13.475 8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.688 -14.001 7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.460 -13.835 9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.232 -13.396 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.133 -15.527 10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.274 -15.968 9.001 1.00 0.00 H new ATOM 0 HE ARG A 54 5.916 -16.405 10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.043 -14.980 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.530 -15.457 13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.522 -16.983 12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.511 -16.596 14.059 1.00 0.00 H new ATOM 814 N MET A 55 6.081 -11.050 8.493 1.00 0.00 N ATOM 815 CA MET A 55 7.484 -10.825 8.161 1.00 0.00 C ATOM 816 C MET A 55 8.400 -11.544 9.148 1.00 0.00 C ATOM 817 O MET A 55 8.179 -11.498 10.357 1.00 0.00 O ATOM 818 CB MET A 55 7.790 -9.329 8.145 1.00 0.00 C ATOM 819 CG MET A 55 7.115 -8.560 7.018 1.00 0.00 C ATOM 820 SD MET A 55 7.635 -6.833 6.946 1.00 0.00 S ATOM 821 CE MET A 55 6.797 -6.291 5.459 1.00 0.00 C ATOM 0 H MET A 55 5.780 -10.621 9.368 1.00 0.00 H new ATOM 0 HA MET A 55 7.669 -11.233 7.167 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.482 -8.898 9.098 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.869 -9.192 8.066 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.341 -9.043 6.067 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.034 -8.605 7.149 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.020 -5.239 5.278 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.139 -6.885 4.612 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.721 -6.418 5.581 1.00 0.00 H new ATOM 831 N GLU A 56 9.425 -12.205 8.623 1.00 0.00 N ATOM 832 CA GLU A 56 10.414 -12.871 9.461 1.00 0.00 C ATOM 833 C GLU A 56 11.825 -12.644 8.922 1.00 0.00 C ATOM 834 O GLU A 56 12.030 -12.548 7.713 1.00 0.00 O ATOM 835 CB GLU A 56 10.118 -14.370 9.555 1.00 0.00 C ATOM 836 CG GLU A 56 8.841 -14.711 10.311 1.00 0.00 C ATOM 837 CD GLU A 56 8.656 -16.199 10.424 1.00 0.00 C ATOM 838 OE1 GLU A 56 9.443 -16.922 9.861 1.00 0.00 O ATOM 839 OE2 GLU A 56 7.796 -16.615 11.163 1.00 0.00 O ATOM 0 H GLU A 56 9.593 -12.294 7.621 1.00 0.00 H new ATOM 0 HA GLU A 56 10.354 -12.440 10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.049 -14.779 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.958 -14.864 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.876 -14.270 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.984 -14.273 9.799 1.00 0.00 H new ATOM 846 N ALA A 57 12.793 -12.562 9.830 1.00 0.00 N ATOM 847 CA ALA A 57 14.200 -12.575 9.449 1.00 0.00 C ATOM 848 C ALA A 57 14.725 -14.002 9.343 1.00 0.00 C ATOM 849 O ALA A 57 14.436 -14.847 10.193 1.00 0.00 O ATOM 850 CB ALA A 57 15.024 -11.778 10.449 1.00 0.00 C ATOM 0 H ALA A 57 12.628 -12.486 10.834 1.00 0.00 H new ATOM 0 HA ALA A 57 14.291 -12.109 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 57 16.073 -11.796 10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.671 -10.747 10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.920 -12.219 11.440 1.00 0.00 H new ATOM 856 N LYS A 58 15.500 -14.267 8.298 1.00 0.00 N ATOM 857 CA LYS A 58 16.051 -15.597 8.069 1.00 0.00 C ATOM 858 C LYS A 58 17.028 -15.979 9.176 1.00 0.00 C ATOM 859 O LYS A 58 17.264 -17.159 9.431 1.00 0.00 O ATOM 860 CB LYS A 58 16.743 -15.665 6.706 1.00 0.00 C ATOM 861 CG LYS A 58 15.794 -15.620 5.516 1.00 0.00 C ATOM 862 CD LYS A 58 16.546 -15.781 4.202 1.00 0.00 C ATOM 863 CE LYS A 58 15.610 -15.658 3.009 1.00 0.00 C ATOM 864 NZ LYS A 58 16.340 -15.757 1.717 1.00 0.00 N ATOM 0 H LYS A 58 15.761 -13.577 7.594 1.00 0.00 H new ATOM 0 HA LYS A 58 15.226 -16.309 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.445 -14.835 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.328 -16.583 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.050 -16.411 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.254 -14.673 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.327 -15.024 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.040 -16.752 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.854 -16.441 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.085 -14.704 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.684 -15.567 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.111 -15.060 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.735 -16.713 1.614 1.00 0.00 H new ATOM 878 N ASP A 59 17.593 -14.971 9.832 1.00 0.00 N ATOM 879 CA ASP A 59 18.499 -15.200 10.952 1.00 0.00 C ATOM 880 C ASP A 59 17.726 -15.315 12.262 1.00 0.00 C ATOM 881 O ASP A 59 18.309 -15.529 13.322 1.00 0.00 O ATOM 882 CB ASP A 59 19.533 -14.076 11.047 1.00 0.00 C ATOM 883 CG ASP A 59 18.950 -12.711 11.386 1.00 0.00 C ATOM 884 OD1 ASP A 59 17.761 -12.628 11.585 1.00 0.00 O ATOM 885 OD2 ASP A 59 19.711 -11.797 11.596 1.00 0.00 O ATOM 0 H ASP A 59 17.440 -13.988 9.608 1.00 0.00 H new ATOM 0 HA ASP A 59 19.020 -16.141 10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.271 -14.341 11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.063 -14.005 10.097 1.00 0.00 H new ATOM 890 N GLY A 60 16.406 -15.173 12.179 1.00 0.00 N ATOM 891 CA GLY A 60 15.557 -15.448 13.322 1.00 0.00 C ATOM 892 C GLY A 60 15.716 -14.418 14.423 1.00 0.00 C ATOM 893 O GLY A 60 15.338 -14.662 15.569 1.00 0.00 O ATOM 0 H GLY A 60 15.910 -14.872 11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.516 -15.473 13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.793 -16.436 13.716 1.00 0.00 H new ATOM 897 N SER A 61 16.277 -13.265 14.075 1.00 0.00 N ATOM 898 CA SER A 61 16.592 -12.239 15.063 1.00 0.00 C ATOM 899 C SER A 61 15.355 -11.413 15.402 1.00 0.00 C ATOM 900 O SER A 61 15.252 -10.851 16.493 1.00 0.00 O ATOM 901 CB SER A 61 17.706 -11.345 14.554 1.00 0.00 C ATOM 902 OG SER A 61 17.310 -10.598 13.436 1.00 0.00 O ATOM 0 H SER A 61 16.523 -13.017 13.117 1.00 0.00 H new ATOM 0 HA SER A 61 16.929 -12.732 15.975 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.020 -10.669 15.349 1.00 0.00 H new ATOM 0 HB3 SER A 61 18.571 -11.955 14.294 1.00 0.00 H new ATOM 0 HG SER A 61 17.349 -11.162 12.635 1.00 0.00 H new ATOM 908 N MET A 62 14.420 -11.345 14.461 1.00 0.00 N ATOM 909 CA MET A 62 13.234 -10.513 14.620 1.00 0.00 C ATOM 910 C MET A 62 12.158 -10.900 13.612 1.00 0.00 C ATOM 911 O MET A 62 12.445 -11.529 12.594 1.00 0.00 O ATOM 912 CB MET A 62 13.599 -9.037 14.469 1.00 0.00 C ATOM 913 CG MET A 62 14.312 -8.696 13.167 1.00 0.00 C ATOM 914 SD MET A 62 13.183 -8.578 11.766 1.00 0.00 S ATOM 915 CE MET A 62 14.203 -7.706 10.581 1.00 0.00 C ATOM 0 H MET A 62 14.461 -11.857 13.580 1.00 0.00 H new ATOM 0 HA MET A 62 12.835 -10.676 15.621 1.00 0.00 H new ATOM 0 HB2 MET A 62 12.689 -8.441 14.538 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.235 -8.745 15.305 1.00 0.00 H new ATOM 0 HG2 MET A 62 14.840 -7.750 13.284 1.00 0.00 H new ATOM 0 HG3 MET A 62 15.064 -9.457 12.959 1.00 0.00 H new ATOM 0 HE1 MET A 62 13.642 -7.557 9.658 1.00 0.00 H new ATOM 0 HE2 MET A 62 14.491 -6.738 10.991 1.00 0.00 H new ATOM 0 HE3 MET A 62 15.098 -8.292 10.371 1.00 0.00 H new ATOM 925 N GLY A 63 10.917 -10.519 13.901 1.00 0.00 N ATOM 926 CA GLY A 63 9.862 -10.611 12.908 1.00 0.00 C ATOM 927 C GLY A 63 8.685 -9.712 13.229 1.00 0.00 C ATOM 928 O GLY A 63 8.570 -9.201 14.343 1.00 0.00 O ATOM 0 H GLY A 63 10.624 -10.148 14.805 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.263 -10.344 11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.519 -11.644 12.841 1.00 0.00 H new ATOM 932 N PHE A 64 7.808 -9.516 12.249 1.00 0.00 N ATOM 933 CA PHE A 64 6.704 -8.574 12.389 1.00 0.00 C ATOM 934 C PHE A 64 5.381 -9.225 11.998 1.00 0.00 C ATOM 935 O PHE A 64 5.340 -10.107 11.139 1.00 0.00 O ATOM 936 CB PHE A 64 6.952 -7.329 11.536 1.00 0.00 C ATOM 937 CG PHE A 64 8.266 -6.654 11.816 1.00 0.00 C ATOM 938 CD1 PHE A 64 8.388 -5.745 12.856 1.00 0.00 C ATOM 939 CD2 PHE A 64 9.382 -6.928 11.040 1.00 0.00 C ATOM 940 CE1 PHE A 64 9.593 -5.123 13.114 1.00 0.00 C ATOM 941 CE2 PHE A 64 10.591 -6.309 11.297 1.00 0.00 C ATOM 942 CZ PHE A 64 10.696 -5.407 12.334 1.00 0.00 C ATOM 0 H PHE A 64 7.841 -9.997 11.350 1.00 0.00 H new ATOM 0 HA PHE A 64 6.644 -8.276 13.436 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.915 -7.608 10.483 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.145 -6.617 11.706 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.530 -5.521 13.472 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.306 -7.633 10.225 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.673 -4.415 13.925 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.453 -6.532 10.686 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.640 -4.923 12.536 1.00 0.00 H new ATOM 952 N ASP A 65 4.302 -8.785 12.635 1.00 0.00 N ATOM 953 CA ASP A 65 2.969 -9.287 12.318 1.00 0.00 C ATOM 954 C ASP A 65 2.014 -8.137 12.017 1.00 0.00 C ATOM 955 O ASP A 65 1.720 -7.315 12.887 1.00 0.00 O ATOM 956 CB ASP A 65 2.426 -10.137 13.469 1.00 0.00 C ATOM 957 CG ASP A 65 1.066 -10.767 13.198 1.00 0.00 C ATOM 958 OD1 ASP A 65 0.476 -10.451 12.192 1.00 0.00 O ATOM 959 OD2 ASP A 65 0.699 -11.670 13.912 1.00 0.00 O ATOM 0 H ASP A 65 4.323 -8.082 13.374 1.00 0.00 H new ATOM 0 HA ASP A 65 3.047 -9.912 11.429 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.142 -10.929 13.689 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.354 -9.515 14.361 1.00 0.00 H new ATOM 964 N PHE A 66 1.530 -8.083 10.780 1.00 0.00 N ATOM 965 CA PHE A 66 0.616 -7.028 10.360 1.00 0.00 C ATOM 966 C PHE A 66 -0.754 -7.601 10.013 1.00 0.00 C ATOM 967 O PHE A 66 -0.858 -8.621 9.334 1.00 0.00 O ATOM 968 CB PHE A 66 1.189 -6.266 9.164 1.00 0.00 C ATOM 969 CG PHE A 66 2.544 -5.670 9.417 1.00 0.00 C ATOM 970 CD1 PHE A 66 2.670 -4.438 10.042 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.696 -6.339 9.031 1.00 0.00 C ATOM 972 CE1 PHE A 66 3.916 -3.888 10.276 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.943 -5.792 9.264 1.00 0.00 C ATOM 974 CZ PHE A 66 5.053 -4.566 9.886 1.00 0.00 C ATOM 0 H PHE A 66 1.756 -8.759 10.050 1.00 0.00 H new ATOM 0 HA PHE A 66 0.497 -6.334 11.192 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.253 -6.942 8.311 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.498 -5.470 8.888 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.784 -3.902 10.349 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.617 -7.299 8.542 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.000 -2.928 10.764 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.832 -6.324 8.959 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.027 -4.137 10.068 1.00 0.00 H new ATOM 984 N ALA A 67 -1.803 -6.937 10.484 1.00 0.00 N ATOM 985 CA ALA A 67 -3.169 -7.346 10.177 1.00 0.00 C ATOM 986 C ALA A 67 -4.077 -6.135 9.990 1.00 0.00 C ATOM 987 O ALA A 67 -3.921 -5.120 10.669 1.00 0.00 O ATOM 988 CB ALA A 67 -3.709 -8.249 11.274 1.00 0.00 C ATOM 0 H ALA A 67 -1.734 -6.112 11.080 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.153 -7.902 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.729 -8.546 11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.082 -9.137 11.356 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.703 -7.712 12.223 1.00 0.00 H new ATOM 994 N GLY A 68 -5.026 -6.248 9.066 1.00 0.00 N ATOM 995 CA GLY A 68 -5.957 -5.162 8.823 1.00 0.00 C ATOM 996 C GLY A 68 -7.197 -5.618 8.078 1.00 0.00 C ATOM 997 O GLY A 68 -7.261 -6.751 7.600 1.00 0.00 O ATOM 0 H GLY A 68 -5.167 -7.072 8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.251 -4.719 9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.458 -4.381 8.249 1.00 0.00 H new ATOM 1001 N THR A 69 -8.186 -4.735 7.983 1.00 0.00 N ATOM 1002 CA THR A 69 -9.417 -5.041 7.266 1.00 0.00 C ATOM 1003 C THR A 69 -9.835 -3.881 6.370 1.00 0.00 C ATOM 1004 O THR A 69 -9.555 -2.720 6.671 1.00 0.00 O ATOM 1005 CB THR A 69 -10.568 -5.370 8.234 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.827 -4.238 9.074 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.211 -6.568 9.100 1.00 0.00 C ATOM 0 H THR A 69 -8.158 -3.802 8.394 1.00 0.00 H new ATOM 0 HA THR A 69 -9.212 -5.917 6.650 1.00 0.00 H new ATOM 0 HB THR A 69 -11.457 -5.609 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.561 -4.448 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.036 -6.786 9.778 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.025 -7.434 8.465 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.315 -6.344 9.679 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.506 -4.202 5.270 1.00 0.00 N ATOM 1016 CA TYR A 70 -11.026 -3.180 4.367 1.00 0.00 C ATOM 1017 C TYR A 70 -12.366 -2.645 4.863 1.00 0.00 C ATOM 1018 O TYR A 70 -13.181 -3.387 5.412 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.175 -3.740 2.950 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.859 -4.087 2.288 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.980 -3.092 1.890 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.503 -5.409 2.061 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.778 -3.403 1.285 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.304 -5.732 1.457 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.443 -4.725 1.069 1.00 0.00 C ATOM 1026 OH TYR A 70 -6.247 -5.040 0.466 1.00 0.00 O ATOM 0 H TYR A 70 -10.703 -5.160 4.981 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.313 -2.356 4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.799 -4.633 2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.699 -3.009 2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.239 -2.057 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.175 -6.199 2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.103 -2.616 0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.041 -6.766 1.289 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.781 -4.216 0.213 1.00 0.00 H new ATOM 1036 N THR A 71 -12.588 -1.348 4.667 1.00 0.00 N ATOM 1037 CA THR A 71 -13.822 -0.709 5.104 1.00 0.00 C ATOM 1038 C THR A 71 -14.645 -0.231 3.914 1.00 0.00 C ATOM 1039 O THR A 71 -15.874 -0.181 3.975 1.00 0.00 O ATOM 1040 CB THR A 71 -13.542 0.485 6.034 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.843 1.505 5.309 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.701 0.048 7.224 1.00 0.00 C ATOM 0 H THR A 71 -11.928 -0.720 4.208 1.00 0.00 H new ATOM 0 HA THR A 71 -14.387 -1.461 5.655 1.00 0.00 H new ATOM 0 HB THR A 71 -14.493 0.874 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.943 2.363 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.513 0.905 7.871 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.235 -0.719 7.785 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.752 -0.355 6.870 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.961 0.118 2.830 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.624 0.650 1.644 1.00 0.00 C ATOM 1052 C LYS A 72 -13.813 0.349 0.387 1.00 0.00 C ATOM 1053 O LYS A 72 -12.600 0.555 0.357 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.847 2.156 1.781 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.684 2.773 0.668 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.002 4.232 0.959 1.00 0.00 C ATOM 1057 CE LYS A 72 -16.904 4.826 -0.113 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.280 6.233 0.193 1.00 0.00 N ATOM 0 H LYS A 72 -12.947 0.042 2.748 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.594 0.161 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.333 2.353 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.877 2.653 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.148 2.697 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.612 2.212 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.487 4.314 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.076 4.804 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.396 4.788 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.806 4.221 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.894 6.600 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.787 6.267 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.421 6.816 0.255 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.492 -0.134 -0.648 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.872 -0.300 -1.957 1.00 0.00 C ATOM 1074 C VAL A 73 -14.819 0.131 -3.071 1.00 0.00 C ATOM 1075 O VAL A 73 -15.955 -0.334 -3.151 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.440 -1.758 -2.198 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.841 -1.914 -3.588 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.444 -2.202 -1.137 1.00 0.00 C ATOM 0 H VAL A 73 -15.471 -0.417 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.987 0.336 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.323 -2.394 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.541 -2.951 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.583 -1.636 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.969 -1.267 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.150 -3.235 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.563 -1.561 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.905 -2.128 -0.152 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.342 1.025 -3.933 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.164 1.559 -5.013 1.00 0.00 C ATOM 1090 C VAL A 74 -14.486 1.364 -6.365 1.00 0.00 C ATOM 1091 O VAL A 74 -13.560 2.092 -6.717 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.462 3.056 -4.809 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.305 3.592 -5.958 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.168 3.283 -3.482 1.00 0.00 C ATOM 0 H VAL A 74 -13.392 1.394 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.104 1.007 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.515 3.596 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.507 4.651 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.765 3.463 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.247 3.046 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.371 4.346 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.108 2.731 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.533 2.935 -2.668 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.957 0.375 -7.119 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.502 0.179 -8.491 1.00 0.00 C ATOM 1106 C GLU A 75 -12.979 0.224 -8.571 1.00 0.00 C ATOM 1107 O GLU A 75 -12.412 0.621 -9.589 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.112 1.235 -9.415 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.632 1.204 -9.491 1.00 0.00 C ATOM 1110 CD GLU A 75 -17.153 2.233 -10.454 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -16.360 2.963 -11.000 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -18.329 2.217 -10.731 1.00 0.00 O ATOM 0 H GLU A 75 -15.652 -0.302 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.834 -0.806 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.798 2.222 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.708 1.099 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.962 0.213 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.051 1.384 -8.501 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.324 -0.187 -7.491 1.00 0.00 N ATOM 1120 CA ASN A 76 -10.870 -0.117 -7.406 1.00 0.00 C ATOM 1121 C ASN A 76 -10.379 1.307 -7.652 1.00 0.00 C ATOM 1122 O ASN A 76 -9.355 1.519 -8.301 1.00 0.00 O ATOM 1123 CB ASN A 76 -10.210 -1.078 -8.378 1.00 0.00 C ATOM 1124 CG ASN A 76 -10.606 -2.513 -8.172 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -10.344 -3.107 -7.120 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -11.163 -3.098 -9.202 1.00 0.00 N ATOM 0 H ASN A 76 -12.777 -0.572 -6.662 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.587 -0.413 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.464 -0.783 -9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.128 -0.992 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.401 -4.089 -9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.359 -2.563 -10.048 1.00 0.00 H new ATOM 1133 N LYS A 77 -11.118 2.280 -7.130 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.831 3.684 -7.394 1.00 0.00 C ATOM 1135 C LYS A 77 -10.771 4.482 -6.094 1.00 0.00 C ATOM 1136 O LYS A 77 -9.963 5.401 -5.956 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.882 4.280 -8.331 1.00 0.00 C ATOM 1138 CG LYS A 77 -11.819 3.759 -9.760 1.00 0.00 C ATOM 1139 CD LYS A 77 -13.001 4.251 -10.583 1.00 0.00 C ATOM 1140 CE LYS A 77 -12.996 3.645 -11.978 1.00 0.00 C ATOM 1141 NZ LYS A 77 -14.222 4.000 -12.743 1.00 0.00 N ATOM 0 H LYS A 77 -11.921 2.121 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.856 3.743 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.872 4.073 -7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.764 5.364 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.889 4.083 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.808 2.669 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.931 3.994 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.968 5.338 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.117 3.991 -12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.917 2.561 -11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.195 3.540 -13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.062 3.677 -12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.267 5.032 -12.867 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.629 4.123 -5.145 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.565 4.692 -3.804 1.00 0.00 C ATOM 1157 C ARG A 78 -11.629 3.594 -2.746 1.00 0.00 C ATOM 1158 O ARG A 78 -12.643 2.907 -2.609 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.633 5.752 -3.576 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.550 6.953 -4.504 1.00 0.00 C ATOM 1161 CD ARG A 78 -11.410 7.865 -4.225 1.00 0.00 C ATOM 1162 NE ARG A 78 -11.358 9.042 -5.076 1.00 0.00 N ATOM 1163 CZ ARG A 78 -10.750 9.090 -6.278 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -10.113 8.045 -6.757 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -10.793 10.225 -6.954 1.00 0.00 N ATOM 0 H ARG A 78 -12.376 3.442 -5.279 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.603 5.197 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.613 5.290 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.564 6.101 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.473 6.598 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.479 7.519 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.464 8.186 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.480 7.309 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.813 9.891 -4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.073 7.180 -6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.658 8.099 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.277 11.033 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.342 10.293 -7.866 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.542 3.435 -1.999 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.397 2.305 -1.090 1.00 0.00 C ATOM 1181 C ILE A 79 -9.915 2.762 0.283 1.00 0.00 C ATOM 1182 O ILE A 79 -8.900 3.449 0.397 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.420 1.255 -1.646 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.941 0.688 -2.970 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -9.206 0.140 -0.635 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.988 -0.274 -3.640 1.00 0.00 C ATOM 0 H ILE A 79 -9.748 4.075 -2.005 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.383 1.851 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.461 1.739 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.888 0.179 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.148 1.513 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.512 -0.594 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.793 0.556 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.159 -0.343 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.427 -0.632 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.048 0.235 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.800 -1.120 -2.979 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.649 2.374 1.320 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.259 2.688 2.691 1.00 0.00 C ATOM 1200 C GLU A 80 -10.097 1.416 3.516 1.00 0.00 C ATOM 1201 O GLU A 80 -10.906 0.492 3.419 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.287 3.614 3.344 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.976 3.980 4.788 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.092 4.779 5.402 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.282 5.903 5.003 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -12.826 4.229 6.189 1.00 0.00 O ATOM 0 H GLU A 80 -11.516 1.843 1.239 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.298 3.201 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.358 4.530 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.265 3.135 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.814 3.072 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.050 4.554 4.829 1.00 0.00 H new ATOM 1213 N TYR A 81 -9.045 1.373 4.326 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.748 0.193 5.131 1.00 0.00 C ATOM 1215 C TYR A 81 -8.085 0.587 6.449 1.00 0.00 C ATOM 1216 O TYR A 81 -7.584 1.700 6.596 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.849 -0.772 4.356 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.516 -0.182 3.956 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.373 0.508 2.762 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.402 -0.317 4.773 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -5.157 1.050 2.391 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.181 0.220 4.413 1.00 0.00 C ATOM 1223 CZ TYR A 81 -4.063 0.904 3.219 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.850 1.441 2.854 1.00 0.00 O ATOM 0 H TYR A 81 -8.384 2.141 4.443 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.689 -0.309 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.674 -1.659 4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.374 -1.100 3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.227 0.624 2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.491 -0.852 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.064 1.585 1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.325 0.106 5.061 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.185 1.249 3.548 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.089 -0.338 7.403 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.453 -0.105 8.694 1.00 0.00 C ATOM 1236 C ALA A 82 -6.506 -1.244 9.054 1.00 0.00 C ATOM 1237 O ALA A 82 -6.798 -2.413 8.799 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.509 0.067 9.777 1.00 0.00 C ATOM 0 H ALA A 82 -8.525 -1.255 7.306 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.866 0.811 8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.021 0.240 10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.144 0.919 9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.118 -0.835 9.837 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.367 -0.895 9.646 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.357 -1.884 9.999 1.00 0.00 C ATOM 1246 C PHE A 83 -3.786 -1.608 11.387 1.00 0.00 C ATOM 1247 O PHE A 83 -3.415 -0.478 11.704 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.234 -1.897 8.959 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.481 -0.602 8.864 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -2.931 0.421 8.041 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.321 -0.401 9.597 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -2.239 1.613 7.952 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -0.627 0.791 9.510 1.00 0.00 C ATOM 1254 CZ PHE A 83 -1.087 1.798 8.688 1.00 0.00 C ATOM 0 H PHE A 83 -5.122 0.064 9.890 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.834 -2.864 10.013 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.534 -2.696 9.204 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.658 -2.132 7.983 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.833 0.283 7.463 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.956 -1.185 10.243 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.600 2.400 7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.276 0.934 10.086 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.546 2.730 8.620 1.00 0.00 H new ATOM 1264 N GLY A 84 -3.723 -2.649 12.212 1.00 0.00 N ATOM 1265 CA GLY A 84 -3.261 -2.484 13.579 1.00 0.00 C ATOM 1266 C GLY A 84 -4.124 -1.521 14.369 1.00 0.00 C ATOM 1267 O GLY A 84 -5.339 -1.699 14.462 1.00 0.00 O ATOM 0 H GLY A 84 -3.983 -3.602 11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.254 -3.454 14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.233 -2.123 13.571 1.00 0.00 H new ATOM 1271 N ASP A 85 -3.496 -0.501 14.943 1.00 0.00 N ATOM 1272 CA ASP A 85 -4.228 0.590 15.574 1.00 0.00 C ATOM 1273 C ASP A 85 -4.198 1.842 14.702 1.00 0.00 C ATOM 1274 O ASP A 85 -4.380 2.956 15.192 1.00 0.00 O ATOM 1275 CB ASP A 85 -3.650 0.896 16.959 1.00 0.00 C ATOM 1276 CG ASP A 85 -2.187 1.318 16.950 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -1.578 1.256 15.908 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -1.734 1.841 17.939 1.00 0.00 O ATOM 0 H ASP A 85 -2.481 -0.407 14.984 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.266 0.277 15.689 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.241 1.688 17.419 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.757 0.012 17.587 1.00 0.00 H new ATOM 1283 N ARG A 86 -3.967 1.648 13.409 1.00 0.00 N ATOM 1284 CA ARG A 86 -3.888 2.764 12.471 1.00 0.00 C ATOM 1285 C ARG A 86 -4.837 2.552 11.295 1.00 0.00 C ATOM 1286 O ARG A 86 -5.402 1.472 11.125 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.464 3.024 12.002 1.00 0.00 C ATOM 1288 CG ARG A 86 -1.490 3.415 13.102 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.489 4.863 13.433 1.00 0.00 C ATOM 1290 NE ARG A 86 -2.525 5.269 14.369 1.00 0.00 N ATOM 1291 CZ ARG A 86 -2.431 5.157 15.709 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -1.371 4.622 16.272 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -3.446 5.581 16.443 1.00 0.00 N ATOM 0 H ARG A 86 -3.831 0.730 12.985 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.206 3.660 13.005 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.090 2.127 11.507 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.482 3.817 11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.731 2.849 14.002 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.484 3.123 12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.517 5.127 13.850 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.606 5.433 12.512 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.382 5.666 13.985 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.602 4.283 15.693 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.317 4.545 17.288 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.270 5.979 15.992 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.405 5.510 17.460 1.00 0.00 H new ATOM 1307 N THR A 87 -5.006 3.593 10.484 1.00 0.00 N ATOM 1308 CA THR A 87 -5.883 3.520 9.321 1.00 0.00 C ATOM 1309 C THR A 87 -5.299 4.295 8.145 1.00 0.00 C ATOM 1310 O THR A 87 -4.528 5.235 8.331 1.00 0.00 O ATOM 1311 CB THR A 87 -7.288 4.065 9.637 1.00 0.00 C ATOM 1312 OG1 THR A 87 -8.150 3.852 8.512 1.00 0.00 O ATOM 1313 CG2 THR A 87 -7.225 5.553 9.948 1.00 0.00 C ATOM 0 H THR A 87 -4.548 4.495 10.611 1.00 0.00 H new ATOM 0 HA THR A 87 -5.966 2.467 9.054 1.00 0.00 H new ATOM 0 HB THR A 87 -7.679 3.538 10.508 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.851 3.061 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.227 5.921 10.169 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.580 5.717 10.811 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.823 6.088 9.087 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.671 3.891 6.934 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.173 4.539 5.728 1.00 0.00 C ATOM 1323 C ALA A 88 -6.182 4.427 4.589 1.00 0.00 C ATOM 1324 O ALA A 88 -7.007 3.514 4.564 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.840 3.935 5.315 1.00 0.00 C ATOM 0 H ALA A 88 -6.315 3.119 6.763 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.027 5.597 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.481 4.429 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.115 4.072 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.968 2.870 5.119 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.111 5.362 3.648 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.010 5.363 2.500 1.00 0.00 C ATOM 1333 C LYS A 89 -6.248 5.654 1.211 1.00 0.00 C ATOM 1334 O LYS A 89 -5.451 6.588 1.147 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.129 6.387 2.696 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.180 6.390 1.593 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.275 7.408 1.874 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.304 7.438 0.754 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.396 8.411 1.028 1.00 0.00 N ATOM 0 H LYS A 89 -5.439 6.130 3.658 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.454 4.371 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.621 6.192 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.687 7.381 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.707 6.617 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.619 5.396 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.767 7.165 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.833 8.397 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.813 7.699 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.729 6.443 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.076 8.401 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.882 8.148 1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.994 9.365 1.126 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.500 4.847 0.185 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.824 5.007 -1.097 1.00 0.00 C ATOM 1355 C VAL A 90 -6.807 5.401 -2.193 1.00 0.00 C ATOM 1356 O VAL A 90 -7.890 4.826 -2.303 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.093 3.718 -1.515 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -6.065 2.548 -1.569 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.412 3.904 -2.863 1.00 0.00 C ATOM 0 H VAL A 90 -7.167 4.076 0.217 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.091 5.803 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.329 3.499 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.531 1.645 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.510 2.399 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.850 2.761 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.900 2.983 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.160 4.147 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.687 4.715 -2.796 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.423 6.384 -3.001 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.275 6.857 -4.085 1.00 0.00 C ATOM 1371 C GLU A 91 -6.538 6.800 -5.421 1.00 0.00 C ATOM 1372 O GLU A 91 -5.330 7.030 -5.486 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.757 8.283 -3.808 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.532 8.442 -2.507 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.038 9.849 -2.342 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.785 10.655 -3.204 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.771 10.089 -1.413 1.00 0.00 O ATOM 0 H GLU A 91 -5.528 6.868 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.143 6.200 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.894 8.948 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.388 8.608 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.372 7.747 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.891 8.183 -1.665 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.273 6.491 -6.483 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.674 6.298 -7.798 1.00 0.00 C ATOM 1386 C PHE A 92 -7.213 7.317 -8.797 1.00 0.00 C ATOM 1387 O PHE A 92 -8.425 7.469 -8.954 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.933 4.876 -8.300 1.00 0.00 C ATOM 1389 CG PHE A 92 -6.440 3.804 -7.368 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -7.247 3.332 -6.344 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -5.170 3.268 -7.514 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -6.796 2.347 -5.485 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -4.716 2.282 -6.658 1.00 0.00 C ATOM 1394 CZ PHE A 92 -5.529 1.823 -5.643 1.00 0.00 C ATOM 0 H PHE A 92 -8.285 6.369 -6.459 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.598 6.447 -7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.004 4.745 -8.455 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.452 4.750 -9.270 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.239 3.739 -6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.528 3.625 -8.306 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.434 1.988 -4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.725 1.871 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.175 1.054 -4.972 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.304 8.014 -9.470 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.684 8.975 -10.500 1.00 0.00 C ATOM 1406 C LEU A 93 -6.120 8.573 -11.858 1.00 0.00 C ATOM 1407 O LEU A 93 -4.916 8.363 -12.002 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.207 10.382 -10.117 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.437 11.461 -11.182 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -7.930 11.684 -11.385 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.754 12.752 -10.754 1.00 0.00 C ATOM 0 H LEU A 93 -5.298 7.932 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.771 8.981 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.715 10.684 -9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.142 10.338 -9.891 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.008 11.134 -12.129 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.083 12.452 -12.143 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.396 10.754 -11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.381 12.006 -10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.918 13.519 -11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.170 13.086 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.684 12.577 -10.640 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.996 8.466 -12.850 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.577 8.139 -14.208 1.00 0.00 C ATOM 1425 C GLU A 94 -6.021 9.372 -14.916 1.00 0.00 C ATOM 1426 O GLU A 94 -6.722 10.367 -15.094 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.745 7.553 -15.005 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.382 7.100 -16.411 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.575 6.529 -17.127 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.633 6.500 -16.546 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.456 6.226 -18.290 1.00 0.00 O ATOM 0 H GLU A 94 -8.001 8.601 -12.740 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.786 7.391 -14.147 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.153 6.704 -14.457 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.536 8.300 -15.070 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.986 7.944 -16.976 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.592 6.350 -16.361 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.757 9.296 -15.321 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.115 10.392 -16.035 1.00 0.00 C ATOM 1440 C ALA A 95 -3.840 10.014 -17.486 1.00 0.00 C ATOM 1441 O ALA A 95 -3.768 8.838 -17.844 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.825 10.792 -15.338 1.00 0.00 C ATOM 0 H ALA A 95 -4.157 8.486 -15.166 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.795 11.244 -16.031 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.356 11.612 -15.882 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.046 11.112 -14.320 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.146 9.939 -15.311 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.680 11.032 -18.344 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.363 10.832 -19.760 1.00 0.00 C ATOM 1450 C PRO A 96 -1.965 10.262 -19.966 1.00 0.00 C ATOM 1451 O PRO A 96 -1.701 9.586 -20.960 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.502 12.230 -20.370 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.252 13.159 -19.231 1.00 0.00 C ATOM 1454 CD PRO A 96 -3.836 12.476 -18.023 1.00 0.00 C ATOM 0 HA PRO A 96 -4.023 10.102 -20.228 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.783 12.386 -21.175 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.494 12.381 -20.795 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.186 13.343 -19.101 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.724 14.126 -19.402 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.304 12.746 -17.111 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.882 12.745 -17.874 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.072 10.539 -19.021 1.00 0.00 N ATOM 1463 CA GLN A 97 0.316 10.110 -19.131 1.00 0.00 C ATOM 1464 C GLN A 97 0.559 8.837 -18.328 1.00 0.00 C ATOM 1465 O GLN A 97 1.546 8.134 -18.543 1.00 0.00 O ATOM 1466 CB GLN A 97 1.260 11.215 -18.651 1.00 0.00 C ATOM 1467 CG GLN A 97 1.146 12.514 -19.431 1.00 0.00 C ATOM 1468 CD GLN A 97 1.426 12.328 -20.910 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.417 11.699 -21.294 1.00 0.00 O ATOM 1470 NE2 GLN A 97 0.557 12.878 -21.750 1.00 0.00 N ATOM 0 H GLN A 97 -1.286 11.059 -18.170 1.00 0.00 H new ATOM 0 HA GLN A 97 0.518 9.902 -20.182 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.059 11.417 -17.599 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.286 10.854 -18.716 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.145 12.925 -19.303 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.845 13.243 -19.021 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.248 13.389 -21.388 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.695 12.789 -22.757 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.350 8.546 -17.401 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.167 7.411 -16.515 1.00 0.00 C ATOM 1481 C GLY A 98 -1.292 7.275 -15.508 1.00 0.00 C ATOM 1482 O GLY A 98 -2.349 7.887 -15.661 1.00 0.00 O ATOM 0 H GLY A 98 -1.208 9.075 -17.248 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.101 6.498 -17.107 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.780 7.516 -15.985 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.066 6.470 -14.475 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.026 6.334 -13.387 1.00 0.00 C ATOM 1488 C VAL A 99 -1.446 6.852 -12.074 1.00 0.00 C ATOM 1489 O VAL A 99 -0.346 6.469 -11.675 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.466 4.870 -13.201 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.495 4.760 -12.087 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.028 4.313 -14.500 1.00 0.00 C ATOM 0 H VAL A 99 -0.226 5.902 -14.369 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.896 6.932 -13.658 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.592 4.281 -12.923 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.794 3.718 -11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.061 5.120 -11.154 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.368 5.362 -12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.334 3.278 -14.350 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.890 4.905 -14.807 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.263 4.357 -15.276 1.00 0.00 H new ATOM 1502 N THR A 100 -2.194 7.726 -11.408 1.00 0.00 N ATOM 1503 CA THR A 100 -1.722 8.355 -10.181 1.00 0.00 C ATOM 1504 C THR A 100 -2.306 7.667 -8.951 1.00 0.00 C ATOM 1505 O THR A 100 -3.522 7.540 -8.818 1.00 0.00 O ATOM 1506 CB THR A 100 -2.080 9.851 -10.140 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.416 10.534 -11.210 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.659 10.464 -8.813 1.00 0.00 C ATOM 0 H THR A 100 -3.129 8.014 -11.698 1.00 0.00 H new ATOM 0 HA THR A 100 -0.637 8.251 -10.171 1.00 0.00 H new ATOM 0 HB THR A 100 -3.160 9.954 -10.250 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.447 10.508 -11.064 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.920 11.522 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.173 9.955 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.582 10.355 -8.687 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.430 7.225 -8.054 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.859 6.568 -6.826 1.00 0.00 C ATOM 1518 C VAL A 101 -1.505 7.406 -5.603 1.00 0.00 C ATOM 1519 O VAL A 101 -0.343 7.753 -5.390 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.226 5.171 -6.680 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.697 4.504 -5.397 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.563 4.305 -7.884 1.00 0.00 C ATOM 0 H VAL A 101 -0.419 7.310 -8.155 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.942 6.460 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.143 5.287 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.240 3.518 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.407 5.115 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.782 4.400 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.108 3.322 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.645 4.197 -7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.178 4.775 -8.789 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.515 7.728 -4.801 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.315 8.549 -3.612 1.00 0.00 C ATOM 1534 C ARG A 102 -2.748 7.800 -2.355 1.00 0.00 C ATOM 1535 O ARG A 102 -3.853 7.259 -2.293 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.005 9.900 -3.724 1.00 0.00 C ATOM 1537 CG ARG A 102 -2.833 10.808 -2.517 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.579 12.090 -2.601 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.076 13.015 -3.603 1.00 0.00 N ATOM 1540 CZ ARG A 102 -3.757 14.078 -4.074 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -4.979 14.334 -3.664 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.170 14.846 -4.976 1.00 0.00 N ATOM 0 H ARG A 102 -3.480 7.433 -4.953 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.247 8.751 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.623 10.415 -4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.070 9.735 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.157 10.271 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.773 11.027 -2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.625 11.874 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.549 12.578 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.142 12.848 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.426 13.724 -2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.481 15.143 -4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.227 14.627 -5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.660 15.658 -5.351 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.872 7.771 -1.357 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.168 7.097 -0.098 1.00 0.00 C ATOM 1558 C VAL A 103 -2.035 8.056 1.082 1.00 0.00 C ATOM 1559 O VAL A 103 -0.989 8.674 1.278 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.242 5.888 0.127 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.555 5.218 1.457 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.379 4.891 -1.015 1.00 0.00 C ATOM 0 H VAL A 103 -0.950 8.207 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.197 6.745 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.212 6.244 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.891 4.365 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.408 5.932 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.590 4.876 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.717 4.043 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.410 4.541 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.108 5.374 -1.954 1.00 0.00 H new ATOM 1572 N SER A 104 -3.104 8.173 1.864 1.00 0.00 N ATOM 1573 CA SER A 104 -3.086 9.008 3.059 1.00 0.00 C ATOM 1574 C SER A 104 -3.397 8.181 4.303 1.00 0.00 C ATOM 1575 O SER A 104 -4.378 7.439 4.340 1.00 0.00 O ATOM 1576 CB SER A 104 -4.077 10.148 2.917 1.00 0.00 C ATOM 1577 OG SER A 104 -4.050 11.010 4.020 1.00 0.00 O ATOM 0 H SER A 104 -3.992 7.701 1.692 1.00 0.00 H new ATOM 0 HA SER A 104 -2.086 9.426 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.853 10.712 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.082 9.742 2.799 1.00 0.00 H new ATOM 0 HG SER A 104 -3.436 11.753 3.840 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.553 8.315 5.321 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.607 7.433 6.482 1.00 0.00 C ATOM 1585 C PHE A 105 -2.337 8.210 7.768 1.00 0.00 C ATOM 1586 O PHE A 105 -1.791 9.312 7.737 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.603 6.290 6.332 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.169 6.735 6.364 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.447 7.226 5.222 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.569 6.665 7.537 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.766 7.635 5.249 1.00 0.00 C ATOM 1592 CE2 PHE A 105 1.889 7.074 7.567 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.487 7.558 6.423 1.00 0.00 C ATOM 0 H PHE A 105 -1.823 9.026 5.366 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.610 7.011 6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.767 5.567 7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.793 5.773 5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.112 7.289 4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.107 6.287 8.437 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.233 8.015 4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.452 7.014 8.487 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.519 7.877 6.446 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.723 7.624 8.897 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.452 8.222 10.199 1.00 0.00 C ATOM 1605 C VAL A 106 -1.032 7.917 10.658 1.00 0.00 C ATOM 1606 O VAL A 106 -0.602 6.764 10.657 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.445 7.725 11.267 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -3.086 8.291 12.633 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.868 8.108 10.891 1.00 0.00 C ATOM 0 H VAL A 106 -3.224 6.736 8.936 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.570 9.299 10.082 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.382 6.638 11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.798 7.930 13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -2.081 7.970 12.907 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.121 9.380 12.596 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.556 7.749 11.657 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.945 9.193 10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.125 7.657 9.932 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.307 8.960 11.050 1.00 0.00 N ATOM 1620 CA ALA A 107 1.075 8.808 11.490 1.00 0.00 C ATOM 1621 C ALA A 107 1.145 8.144 12.861 1.00 0.00 C ATOM 1622 O ALA A 107 0.363 8.464 13.755 1.00 0.00 O ATOM 1623 CB ALA A 107 1.772 10.160 11.520 1.00 0.00 C ATOM 0 H ALA A 107 -0.654 9.919 11.072 1.00 0.00 H new ATOM 0 HA ALA A 107 1.588 8.163 10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.803 10.031 11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.763 10.596 10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.250 10.823 12.210 1.00 0.00 H new ATOM 1629 N GLU A 108 2.087 7.219 13.019 1.00 0.00 N ATOM 1630 CA GLU A 108 2.286 6.543 14.295 1.00 0.00 C ATOM 1631 C GLU A 108 2.990 7.460 15.291 1.00 0.00 C ATOM 1632 O GLU A 108 4.079 7.968 15.024 1.00 0.00 O ATOM 1633 CB GLU A 108 3.090 5.257 14.100 1.00 0.00 C ATOM 1634 CG GLU A 108 3.320 4.460 15.377 1.00 0.00 C ATOM 1635 CD GLU A 108 2.021 4.129 16.056 1.00 0.00 C ATOM 1636 OE1 GLU A 108 1.143 3.620 15.402 1.00 0.00 O ATOM 1637 OE2 GLU A 108 1.945 4.280 17.253 1.00 0.00 O ATOM 0 H GLU A 108 2.724 6.921 12.280 1.00 0.00 H new ATOM 0 HA GLU A 108 1.307 6.285 14.698 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.572 4.624 13.380 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.057 5.510 13.665 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.855 3.540 15.142 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.952 5.032 16.056 1.00 0.00 H new ATOM 1644 N THR A 109 2.360 7.667 16.444 1.00 0.00 N ATOM 1645 CA THR A 109 2.857 8.621 17.427 1.00 0.00 C ATOM 1646 C THR A 109 4.197 8.173 17.999 1.00 0.00 C ATOM 1647 O THR A 109 4.969 8.986 18.506 1.00 0.00 O ATOM 1648 CB THR A 109 1.857 8.817 18.581 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.648 7.568 19.253 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.527 9.333 18.052 1.00 0.00 C ATOM 0 H THR A 109 1.504 7.186 16.719 1.00 0.00 H new ATOM 0 HA THR A 109 2.986 9.570 16.907 1.00 0.00 H new ATOM 0 HB THR A 109 2.268 9.548 19.278 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.013 7.694 19.988 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.168 9.466 18.881 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.681 10.289 17.551 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.114 8.615 17.344 1.00 0.00 H new ATOM 1658 N GLU A 110 4.467 6.874 17.913 1.00 0.00 N ATOM 1659 CA GLU A 110 5.718 6.319 18.419 1.00 0.00 C ATOM 1660 C GLU A 110 6.888 6.710 17.521 1.00 0.00 C ATOM 1661 O GLU A 110 8.050 6.581 17.905 1.00 0.00 O ATOM 1662 CB GLU A 110 5.623 4.796 18.530 1.00 0.00 C ATOM 1663 CG GLU A 110 4.664 4.303 19.605 1.00 0.00 C ATOM 1664 CD GLU A 110 4.571 2.803 19.608 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.210 2.186 18.789 1.00 0.00 O ATOM 1666 OE2 GLU A 110 3.954 2.267 20.499 1.00 0.00 O ATOM 0 H GLU A 110 3.837 6.187 17.498 1.00 0.00 H new ATOM 0 HA GLU A 110 5.894 6.732 19.412 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.309 4.392 17.567 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.616 4.396 18.735 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.000 4.651 20.582 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.675 4.730 19.437 1.00 0.00 H new ATOM 1673 N TYR A 111 6.571 7.187 16.321 1.00 0.00 N ATOM 1674 CA TYR A 111 7.596 7.594 15.366 1.00 0.00 C ATOM 1675 C TYR A 111 7.349 9.017 14.876 1.00 0.00 C ATOM 1676 O TYR A 111 6.215 9.495 14.821 1.00 0.00 O ATOM 1677 CB TYR A 111 7.638 6.627 14.181 1.00 0.00 C ATOM 1678 CG TYR A 111 8.042 5.218 14.553 1.00 0.00 C ATOM 1679 CD1 TYR A 111 9.377 4.836 14.544 1.00 0.00 C ATOM 1680 CD2 TYR A 111 7.092 4.273 14.910 1.00 0.00 C ATOM 1681 CE1 TYR A 111 9.752 3.551 14.882 1.00 0.00 C ATOM 1682 CE2 TYR A 111 7.457 2.985 15.251 1.00 0.00 C ATOM 1683 CZ TYR A 111 8.790 2.628 15.236 1.00 0.00 C ATOM 1684 OH TYR A 111 9.159 1.345 15.573 1.00 0.00 O ATOM 0 H TYR A 111 5.614 7.301 15.987 1.00 0.00 H new ATOM 0 HA TYR A 111 8.560 7.569 15.874 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.655 6.600 13.712 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.336 7.010 13.437 1.00 0.00 H new ATOM 0 HD1 TYR A 111 10.134 5.555 14.268 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.048 4.549 14.922 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.795 3.270 14.869 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.704 2.262 15.528 1.00 0.00 H new ATOM 0 HH TYR A 111 8.360 0.823 15.797 1.00 0.00 H new ATOM 1694 N PRO A 112 8.435 9.712 14.510 1.00 0.00 N ATOM 1695 CA PRO A 112 8.358 11.058 13.932 1.00 0.00 C ATOM 1696 C PRO A 112 7.692 11.061 12.560 1.00 0.00 C ATOM 1697 O PRO A 112 7.802 10.097 11.802 1.00 0.00 O ATOM 1698 CB PRO A 112 9.819 11.510 13.856 1.00 0.00 C ATOM 1699 CG PRO A 112 10.598 10.242 13.770 1.00 0.00 C ATOM 1700 CD PRO A 112 9.845 9.253 14.620 1.00 0.00 C ATOM 0 HA PRO A 112 7.742 11.728 14.532 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.994 12.143 12.986 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.101 12.090 14.734 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.674 9.897 12.739 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.615 10.380 14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.966 8.234 14.254 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.192 9.264 15.653 1.00 0.00 H new ATOM 1708 N VAL A 113 7.000 12.153 12.246 1.00 0.00 N ATOM 1709 CA VAL A 113 6.277 12.262 10.986 1.00 0.00 C ATOM 1710 C VAL A 113 7.208 12.051 9.797 1.00 0.00 C ATOM 1711 O VAL A 113 6.792 11.554 8.751 1.00 0.00 O ATOM 1712 CB VAL A 113 5.585 13.632 10.849 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.511 13.794 11.914 1.00 0.00 C ATOM 1714 CG2 VAL A 113 6.604 14.755 10.946 1.00 0.00 C ATOM 0 H VAL A 113 6.926 12.973 12.847 1.00 0.00 H new ATOM 0 HA VAL A 113 5.517 11.481 10.990 1.00 0.00 H new ATOM 0 HB VAL A 113 5.110 13.682 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.032 14.767 11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.765 13.007 11.801 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.965 13.724 12.902 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.098 15.715 10.847 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.107 14.708 11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.339 14.649 10.149 1.00 0.00 H new ATOM 1724 N GLU A 114 8.470 12.433 9.965 1.00 0.00 N ATOM 1725 CA GLU A 114 9.470 12.247 8.920 1.00 0.00 C ATOM 1726 C GLU A 114 9.697 10.764 8.641 1.00 0.00 C ATOM 1727 O GLU A 114 9.821 10.351 7.489 1.00 0.00 O ATOM 1728 CB GLU A 114 10.788 12.919 9.313 1.00 0.00 C ATOM 1729 CG GLU A 114 10.741 14.440 9.315 1.00 0.00 C ATOM 1730 CD GLU A 114 12.025 15.025 9.833 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.877 14.272 10.241 1.00 0.00 O ATOM 1732 OE2 GLU A 114 12.202 16.215 9.719 1.00 0.00 O ATOM 0 H GLU A 114 8.824 12.873 10.814 1.00 0.00 H new ATOM 0 HA GLU A 114 9.096 12.714 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.075 12.575 10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.568 12.592 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.556 14.802 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.909 14.780 9.932 1.00 0.00 H new ATOM 1739 N GLN A 115 9.748 9.969 9.705 1.00 0.00 N ATOM 1740 CA GLN A 115 9.975 8.534 9.577 1.00 0.00 C ATOM 1741 C GLN A 115 8.806 7.860 8.865 1.00 0.00 C ATOM 1742 O GLN A 115 9.002 6.966 8.041 1.00 0.00 O ATOM 1743 CB GLN A 115 10.181 7.896 10.953 1.00 0.00 C ATOM 1744 CG GLN A 115 10.475 6.407 10.912 1.00 0.00 C ATOM 1745 CD GLN A 115 11.777 6.093 10.200 1.00 0.00 C ATOM 1746 OE1 GLN A 115 12.803 6.736 10.441 1.00 0.00 O ATOM 1747 NE2 GLN A 115 11.743 5.105 9.312 1.00 0.00 N ATOM 0 H GLN A 115 9.635 10.294 10.665 1.00 0.00 H new ATOM 0 HA GLN A 115 10.877 8.390 8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.004 8.403 11.457 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.288 8.062 11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.519 6.020 11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 115 9.656 5.892 10.410 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.873 4.600 9.144 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.587 4.852 8.798 1.00 0.00 H new ATOM 1756 N GLN A 116 7.593 8.294 9.189 1.00 0.00 N ATOM 1757 CA GLN A 116 6.393 7.723 8.590 1.00 0.00 C ATOM 1758 C GLN A 116 6.274 8.120 7.122 1.00 0.00 C ATOM 1759 O GLN A 116 5.934 7.297 6.273 1.00 0.00 O ATOM 1760 CB GLN A 116 5.144 8.175 9.352 1.00 0.00 C ATOM 1761 CG GLN A 116 5.008 7.570 10.739 1.00 0.00 C ATOM 1762 CD GLN A 116 4.868 6.059 10.700 1.00 0.00 C ATOM 1763 OE1 GLN A 116 3.974 5.522 10.041 1.00 0.00 O ATOM 1764 NE2 GLN A 116 5.749 5.366 11.411 1.00 0.00 N ATOM 0 H GLN A 116 7.415 9.039 9.863 1.00 0.00 H new ATOM 0 HA GLN A 116 6.474 6.638 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.160 9.261 9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.262 7.916 8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.881 7.836 11.336 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.139 8.000 11.236 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.472 5.852 11.941 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.703 4.347 11.427 1.00 0.00 H new ATOM 1773 N GLN A 117 6.558 9.385 6.833 1.00 0.00 N ATOM 1774 CA GLN A 117 6.500 9.887 5.463 1.00 0.00 C ATOM 1775 C GLN A 117 7.519 9.174 4.580 1.00 0.00 C ATOM 1776 O GLN A 117 7.188 8.700 3.494 1.00 0.00 O ATOM 1777 CB GLN A 117 6.752 11.396 5.433 1.00 0.00 C ATOM 1778 CG GLN A 117 6.688 12.010 4.044 1.00 0.00 C ATOM 1779 CD GLN A 117 6.956 13.503 4.058 1.00 0.00 C ATOM 1780 OE1 GLN A 117 7.261 14.084 5.104 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.840 14.135 2.896 1.00 0.00 N ATOM 0 H GLN A 117 6.830 10.081 7.527 1.00 0.00 H new ATOM 0 HA GLN A 117 5.502 9.687 5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.017 11.889 6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.733 11.598 5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.417 11.519 3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.704 11.824 3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.586 13.615 2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.005 15.140 2.843 1.00 0.00 H new ATOM 1790 N GLN A 118 8.759 9.103 5.054 1.00 0.00 N ATOM 1791 CA GLN A 118 9.830 8.468 4.296 1.00 0.00 C ATOM 1792 C GLN A 118 9.602 6.964 4.187 1.00 0.00 C ATOM 1793 O GLN A 118 9.909 6.351 3.166 1.00 0.00 O ATOM 1794 CB GLN A 118 11.187 8.742 4.951 1.00 0.00 C ATOM 1795 CG GLN A 118 11.676 10.172 4.798 1.00 0.00 C ATOM 1796 CD GLN A 118 12.973 10.424 5.543 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.491 9.539 6.231 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.503 11.634 5.415 1.00 0.00 N ATOM 0 H GLN A 118 9.046 9.477 5.958 1.00 0.00 H new ATOM 0 HA GLN A 118 9.828 8.894 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.120 8.505 6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.928 8.069 4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.819 10.393 3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.911 10.856 5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 118 13.040 12.335 4.836 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.373 11.863 5.896 1.00 0.00 H new ATOM 1807 N GLY A 119 9.061 6.373 5.249 1.00 0.00 N ATOM 1808 CA GLY A 119 8.784 4.950 5.245 1.00 0.00 C ATOM 1809 C GLY A 119 7.774 4.559 4.184 1.00 0.00 C ATOM 1810 O GLY A 119 7.976 3.589 3.455 1.00 0.00 O ATOM 0 H GLY A 119 8.810 6.856 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.712 4.403 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.410 4.653 6.225 1.00 0.00 H new ATOM 1814 N TRP A 120 6.684 5.312 4.102 1.00 0.00 N ATOM 1815 CA TRP A 120 5.663 5.072 3.088 1.00 0.00 C ATOM 1816 C TRP A 120 6.181 5.427 1.698 1.00 0.00 C ATOM 1817 O TRP A 120 5.823 4.785 0.712 1.00 0.00 O ATOM 1818 CB TRP A 120 4.405 5.883 3.400 1.00 0.00 C ATOM 1819 CG TRP A 120 3.261 5.043 3.882 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.114 4.750 3.200 1.00 0.00 C ATOM 1821 CD2 TRP A 120 3.152 4.390 5.152 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.300 3.954 3.968 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.913 3.719 5.170 1.00 0.00 C ATOM 1824 CE3 TRP A 120 3.980 4.306 6.274 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.487 2.975 6.267 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 3.555 3.569 7.361 1.00 0.00 C ATOM 1827 CH2 TRP A 120 2.318 2.910 7.351 1.00 0.00 C ATOM 0 H TRP A 120 6.484 6.094 4.725 1.00 0.00 H new ATOM 0 HA TRP A 120 5.415 4.011 3.102 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.642 6.631 4.157 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.098 6.423 2.504 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.882 5.094 2.203 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.387 3.596 3.688 1.00 0.00 H new ATOM 0 HE3 TRP A 120 4.936 4.809 6.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 0.534 2.467 6.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 4.187 3.499 8.234 1.00 0.00 H new ATOM 0 HH2 TRP A 120 2.015 2.340 8.217 1.00 0.00 H new ATOM 1838 N GLN A 121 7.024 6.451 1.630 1.00 0.00 N ATOM 1839 CA GLN A 121 7.645 6.846 0.372 1.00 0.00 C ATOM 1840 C GLN A 121 8.574 5.753 -0.144 1.00 0.00 C ATOM 1841 O GLN A 121 8.628 5.485 -1.345 1.00 0.00 O ATOM 1842 CB GLN A 121 8.427 8.151 0.544 1.00 0.00 C ATOM 1843 CG GLN A 121 9.004 8.706 -0.748 1.00 0.00 C ATOM 1844 CD GLN A 121 7.926 9.125 -1.730 1.00 0.00 C ATOM 1845 OE1 GLN A 121 7.033 9.909 -1.396 1.00 0.00 O ATOM 1846 NE2 GLN A 121 8.000 8.601 -2.948 1.00 0.00 N ATOM 0 H GLN A 121 7.293 7.022 2.431 1.00 0.00 H new ATOM 0 HA GLN A 121 6.850 7.001 -0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.770 8.900 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.241 7.984 1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.638 9.563 -0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.641 7.953 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.756 7.957 -3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.301 8.843 -3.651 1.00 0.00 H new ATOM 1855 N ALA A 122 9.305 5.122 0.770 1.00 0.00 N ATOM 1856 CA ALA A 122 10.265 4.090 0.403 1.00 0.00 C ATOM 1857 C ALA A 122 9.565 2.888 -0.223 1.00 0.00 C ATOM 1858 O ALA A 122 10.010 2.361 -1.243 1.00 0.00 O ATOM 1859 CB ALA A 122 11.069 3.660 1.620 1.00 0.00 C ATOM 0 H ALA A 122 9.250 5.309 1.771 1.00 0.00 H new ATOM 0 HA ALA A 122 10.946 4.508 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.782 2.888 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.606 4.518 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.395 3.265 2.380 1.00 0.00 H new ATOM 1865 N ILE A 123 8.470 2.459 0.395 1.00 0.00 N ATOM 1866 CA ILE A 123 7.690 1.342 -0.121 1.00 0.00 C ATOM 1867 C ILE A 123 6.893 1.751 -1.355 1.00 0.00 C ATOM 1868 O ILE A 123 6.640 0.937 -2.245 1.00 0.00 O ATOM 1869 CB ILE A 123 6.726 0.786 0.943 1.00 0.00 C ATOM 1870 CG1 ILE A 123 5.700 1.850 1.340 1.00 0.00 C ATOM 1871 CG2 ILE A 123 7.499 0.307 2.162 1.00 0.00 C ATOM 1872 CD1 ILE A 123 4.625 1.343 2.274 1.00 0.00 C ATOM 0 H ILE A 123 8.103 2.868 1.254 1.00 0.00 H new ATOM 0 HA ILE A 123 8.400 0.562 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 123 6.193 -0.065 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.219 2.682 1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.229 2.242 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.803 -0.083 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.193 -0.480 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.056 1.140 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.936 2.154 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.079 0.531 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.084 0.978 3.193 1.00 0.00 H new ATOM 1884 N LEU A 124 6.500 3.020 -1.403 1.00 0.00 N ATOM 1885 CA LEU A 124 5.822 3.566 -2.574 1.00 0.00 C ATOM 1886 C LEU A 124 6.765 3.623 -3.772 1.00 0.00 C ATOM 1887 O LEU A 124 6.346 3.433 -4.914 1.00 0.00 O ATOM 1888 CB LEU A 124 5.265 4.962 -2.264 1.00 0.00 C ATOM 1889 CG LEU A 124 4.279 5.516 -3.298 1.00 0.00 C ATOM 1890 CD1 LEU A 124 3.048 4.624 -3.377 1.00 0.00 C ATOM 1891 CD2 LEU A 124 3.891 6.939 -2.922 1.00 0.00 C ATOM 0 H LEU A 124 6.639 3.689 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 124 4.992 2.906 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.769 4.931 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 124 6.100 5.657 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 124 4.753 5.530 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.354 5.027 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.346 3.618 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.561 4.588 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.190 7.332 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 124 3.422 6.940 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 124 4.783 7.566 -2.900 1.00 0.00 H new ATOM 1903 N ASN A 125 8.040 3.885 -3.505 1.00 0.00 N ATOM 1904 CA ASN A 125 9.055 3.894 -4.552 1.00 0.00 C ATOM 1905 C ASN A 125 9.216 2.508 -5.166 1.00 0.00 C ATOM 1906 O ASN A 125 9.369 2.368 -6.378 1.00 0.00 O ATOM 1907 CB ASN A 125 10.388 4.399 -4.030 1.00 0.00 C ATOM 1908 CG ASN A 125 10.411 5.877 -3.759 1.00 0.00 C ATOM 1909 OD1 ASN A 125 9.568 6.634 -4.255 1.00 0.00 O ATOM 1910 ND2 ASN A 125 11.420 6.304 -3.042 1.00 0.00 N ATOM 0 H ASN A 125 8.395 4.094 -2.572 1.00 0.00 H new ATOM 0 HA ASN A 125 8.716 4.580 -5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.633 3.866 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 125 11.166 4.160 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 125 11.537 7.303 -2.871 1.00 0.00 H new ATOM 0 HD22 ASN A 125 12.088 5.638 -2.655 1.00 0.00 H new ATOM 1917 N ASN A 126 9.182 1.484 -4.320 1.00 0.00 N ATOM 1918 CA ASN A 126 9.222 0.104 -4.788 1.00 0.00 C ATOM 1919 C ASN A 126 7.939 -0.257 -5.531 1.00 0.00 C ATOM 1920 O ASN A 126 7.966 -0.994 -6.516 1.00 0.00 O ATOM 1921 CB ASN A 126 9.458 -0.866 -3.644 1.00 0.00 C ATOM 1922 CG ASN A 126 10.859 -0.830 -3.100 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.770 -0.259 -3.712 1.00 0.00 O ATOM 1924 ND2 ASN A 126 11.054 -1.507 -1.997 1.00 0.00 N ATOM 0 H ASN A 126 9.127 1.584 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 126 10.061 0.020 -5.479 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.759 -0.641 -2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.236 -1.877 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.992 -1.582 -1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.268 -1.960 -1.531 1.00 0.00 H new ATOM 1931 N PHE A 127 6.817 0.270 -5.053 1.00 0.00 N ATOM 1932 CA PHE A 127 5.548 0.140 -5.760 1.00 0.00 C ATOM 1933 C PHE A 127 5.647 0.723 -7.167 1.00 0.00 C ATOM 1934 O PHE A 127 5.220 0.102 -8.141 1.00 0.00 O ATOM 1935 CB PHE A 127 4.427 0.828 -4.980 1.00 0.00 C ATOM 1936 CG PHE A 127 3.122 0.887 -5.721 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.226 -0.171 -5.664 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.785 2.000 -6.477 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.025 -0.117 -6.345 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.586 2.057 -7.158 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.704 0.996 -7.092 1.00 0.00 C ATOM 0 H PHE A 127 6.760 0.792 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 127 5.315 -0.922 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.276 0.301 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.739 1.842 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 127 2.470 -1.047 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.470 2.833 -6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.337 -0.948 -6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.337 2.931 -7.742 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.235 1.038 -7.624 1.00 0.00 H new ATOM 1951 N LYS A 128 6.217 1.919 -7.266 1.00 0.00 N ATOM 1952 CA LYS A 128 6.392 2.580 -8.555 1.00 0.00 C ATOM 1953 C LYS A 128 7.253 1.735 -9.487 1.00 0.00 C ATOM 1954 O LYS A 128 6.879 1.477 -10.631 1.00 0.00 O ATOM 1955 CB LYS A 128 7.015 3.964 -8.369 1.00 0.00 C ATOM 1956 CG LYS A 128 7.209 4.745 -9.662 1.00 0.00 C ATOM 1957 CD LYS A 128 7.890 6.081 -9.403 1.00 0.00 C ATOM 1958 CE LYS A 128 7.885 6.956 -10.649 1.00 0.00 C ATOM 1959 NZ LYS A 128 8.847 6.468 -11.675 1.00 0.00 N ATOM 0 H LYS A 128 6.566 2.451 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 128 5.408 2.698 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.383 4.546 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.982 3.851 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.808 4.158 -10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.242 4.913 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.381 6.599 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.917 5.911 -9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 128 6.881 6.977 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.136 7.980 -10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.990 7.205 -12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 9.756 6.246 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.468 5.612 -12.127 1.00 0.00 H new ATOM 1973 N ARG A 129 8.408 1.305 -8.990 1.00 0.00 N ATOM 1974 CA ARG A 129 9.357 0.553 -9.803 1.00 0.00 C ATOM 1975 C ARG A 129 8.772 -0.796 -10.213 1.00 0.00 C ATOM 1976 O ARG A 129 9.023 -1.282 -11.316 1.00 0.00 O ATOM 1977 CB ARG A 129 10.704 0.393 -9.113 1.00 0.00 C ATOM 1978 CG ARG A 129 11.540 1.661 -9.039 1.00 0.00 C ATOM 1979 CD ARG A 129 12.850 1.493 -8.358 1.00 0.00 C ATOM 1980 NE ARG A 129 13.677 2.688 -8.340 1.00 0.00 N ATOM 1981 CZ ARG A 129 14.898 2.765 -7.777 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.422 1.733 -7.153 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.548 3.913 -7.847 1.00 0.00 N ATOM 0 H ARG A 129 8.709 1.464 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 129 9.539 1.131 -10.709 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.536 0.026 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.276 -0.372 -9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.714 2.026 -10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 129 10.969 2.429 -8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.673 1.173 -7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.401 0.692 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 129 13.306 3.528 -8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 129 14.902 0.857 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 129 16.348 1.808 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.123 4.712 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.475 4.001 -7.430 1.00 0.00 H new ATOM 1997 N HIS A 130 7.994 -1.394 -9.318 1.00 0.00 N ATOM 1998 CA HIS A 130 7.401 -2.702 -9.575 1.00 0.00 C ATOM 1999 C HIS A 130 6.319 -2.607 -10.646 1.00 0.00 C ATOM 2000 O HIS A 130 6.360 -3.319 -11.649 1.00 0.00 O ATOM 2001 CB HIS A 130 6.816 -3.294 -8.288 1.00 0.00 C ATOM 2002 CG HIS A 130 6.157 -4.625 -8.483 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.871 -5.781 -8.720 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.852 -4.982 -8.478 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.032 -6.793 -8.851 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.801 -6.335 -8.709 1.00 0.00 N ATOM 0 H HIS A 130 7.759 -0.995 -8.409 1.00 0.00 H new ATOM 0 HA HIS A 130 8.190 -3.362 -9.937 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.613 -3.397 -7.551 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.088 -2.595 -7.875 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.008 -4.326 -8.322 1.00 0.00 H new ATOM 0 HE1 HIS A 130 6.306 -7.820 -9.042 1.00 0.00 H new ATOM 0 HE2 HIS A 130 3.950 -6.895 -8.762 1.00 0.00 H new ATOM 2013 N VAL A 131 5.349 -1.725 -10.425 1.00 0.00 N ATOM 2014 CA VAL A 131 4.174 -1.649 -11.285 1.00 0.00 C ATOM 2015 C VAL A 131 4.516 -1.020 -12.630 1.00 0.00 C ATOM 2016 O VAL A 131 4.088 -1.501 -13.678 1.00 0.00 O ATOM 2017 CB VAL A 131 3.041 -0.841 -10.624 1.00 0.00 C ATOM 2018 CG1 VAL A 131 1.884 -0.655 -11.593 1.00 0.00 C ATOM 2019 CG2 VAL A 131 2.565 -1.531 -9.354 1.00 0.00 C ATOM 0 H VAL A 131 5.354 -1.053 -9.658 1.00 0.00 H new ATOM 0 HA VAL A 131 3.833 -2.672 -11.442 1.00 0.00 H new ATOM 0 HB VAL A 131 3.430 0.142 -10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.093 -0.082 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.232 -0.119 -12.476 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.497 -1.630 -11.889 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.765 -0.946 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.194 -2.526 -9.598 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.395 -1.615 -8.653 1.00 0.00 H new ATOM 2029 N GLU A 132 5.292 0.059 -12.592 1.00 0.00 N ATOM 2030 CA GLU A 132 5.631 0.799 -13.804 1.00 0.00 C ATOM 2031 C GLU A 132 6.285 -0.116 -14.834 1.00 0.00 C ATOM 2032 O GLU A 132 6.117 0.070 -16.040 1.00 0.00 O ATOM 2033 CB GLU A 132 6.557 1.973 -13.475 1.00 0.00 C ATOM 2034 CG GLU A 132 6.927 2.835 -14.673 1.00 0.00 C ATOM 2035 CD GLU A 132 7.775 4.006 -14.262 1.00 0.00 C ATOM 2036 OE1 GLU A 132 8.097 4.104 -13.102 1.00 0.00 O ATOM 2037 OE2 GLU A 132 8.197 4.741 -15.124 1.00 0.00 O ATOM 0 H GLU A 132 5.697 0.440 -11.737 1.00 0.00 H new ATOM 0 HA GLU A 132 4.707 1.191 -14.230 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.075 2.601 -12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.471 1.585 -13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 132 7.465 2.233 -15.405 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.020 3.193 -15.160 1.00 0.00 H new ATOM 2044 N SER A 133 7.031 -1.104 -14.352 1.00 0.00 N ATOM 2045 CA SER A 133 7.815 -1.968 -15.227 1.00 0.00 C ATOM 2046 C SER A 133 6.914 -2.944 -15.978 1.00 0.00 C ATOM 2047 O SER A 133 7.376 -3.704 -16.829 1.00 0.00 O ATOM 2048 CB SER A 133 8.860 -2.719 -14.424 1.00 0.00 C ATOM 2049 OG SER A 133 8.289 -3.712 -13.617 1.00 0.00 O ATOM 0 H SER A 133 7.109 -1.327 -13.360 1.00 0.00 H new ATOM 0 HA SER A 133 8.322 -1.342 -15.962 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.581 -3.174 -15.103 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.411 -2.016 -13.799 1.00 0.00 H new ATOM 0 HG SER A 133 7.651 -3.302 -12.996 1.00 0.00 H new ATOM 2055 N HIS A 134 5.626 -2.918 -15.653 1.00 0.00 N ATOM 2056 CA HIS A 134 4.666 -3.833 -16.263 1.00 0.00 C ATOM 2057 C HIS A 134 4.070 -3.230 -17.530 1.00 0.00 C ATOM 2058 O HIS A 134 3.123 -3.772 -18.103 1.00 0.00 O ATOM 2059 CB HIS A 134 3.551 -4.188 -15.274 1.00 0.00 C ATOM 2060 CG HIS A 134 4.038 -4.895 -14.047 1.00 0.00 C ATOM 2061 ND1 HIS A 134 3.263 -5.036 -12.915 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.217 -5.500 -13.775 1.00 0.00 C ATOM 2063 CE1 HIS A 134 3.947 -5.699 -11.998 1.00 0.00 C ATOM 2064 NE2 HIS A 134 5.135 -5.991 -12.495 1.00 0.00 N ATOM 0 H HIS A 134 5.222 -2.275 -14.972 1.00 0.00 H new ATOM 0 HA HIS A 134 5.198 -4.746 -16.531 1.00 0.00 H new ATOM 0 HB2 HIS A 134 3.037 -3.274 -14.976 1.00 0.00 H new ATOM 0 HB3 HIS A 134 2.817 -4.817 -15.778 1.00 0.00 H new ATOM 0 HD2 HIS A 134 6.064 -5.582 -14.440 1.00 0.00 H new ATOM 0 HE1 HIS A 134 3.594 -5.958 -11.011 1.00 0.00 H new ATOM 0 HE2 HIS A 134 5.873 -6.499 -12.007 1.00 0.00 H new ATOM 2071 N LEU A 135 4.628 -2.104 -17.964 1.00 0.00 N ATOM 2072 CA LEU A 135 4.244 -1.500 -19.234 1.00 0.00 C ATOM 2073 C LEU A 135 5.421 -0.764 -19.866 1.00 0.00 C ATOM 2074 O LEU A 135 5.969 0.168 -19.278 1.00 0.00 O ATOM 2075 CB LEU A 135 3.061 -0.544 -19.032 1.00 0.00 C ATOM 2076 CG LEU A 135 2.614 0.216 -20.287 1.00 0.00 C ATOM 2077 CD1 LEU A 135 2.051 -0.756 -21.314 1.00 0.00 C ATOM 2078 CD2 LEU A 135 1.574 1.260 -19.907 1.00 0.00 C ATOM 0 H LEU A 135 5.348 -1.592 -17.454 1.00 0.00 H new ATOM 0 HA LEU A 135 3.940 -2.297 -19.912 1.00 0.00 H new ATOM 0 HB2 LEU A 135 2.214 -1.115 -18.652 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.328 0.181 -18.263 1.00 0.00 H new ATOM 0 HG LEU A 135 3.472 0.721 -20.730 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.737 -0.206 -22.201 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.818 -1.480 -21.589 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.194 -1.279 -20.889 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.257 1.800 -20.800 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.713 0.768 -19.455 1.00 0.00 H new ATOM 0 HD23 LEU A 135 2.006 1.961 -19.193 1.00 0.00 H new ATOM 2090 N GLU A 136 5.803 -1.190 -21.066 1.00 0.00 N ATOM 2091 CA GLU A 136 6.856 -0.516 -21.815 1.00 0.00 C ATOM 2092 C GLU A 136 6.296 0.671 -22.594 1.00 0.00 C ATOM 2093 O GLU A 136 5.177 0.618 -23.107 1.00 0.00 O ATOM 2094 CB GLU A 136 7.550 -1.494 -22.765 1.00 0.00 C ATOM 2095 CG GLU A 136 8.271 -2.641 -22.072 1.00 0.00 C ATOM 2096 CD GLU A 136 8.951 -3.540 -23.066 1.00 0.00 C ATOM 2097 OE1 GLU A 136 8.822 -3.297 -24.242 1.00 0.00 O ATOM 2098 OE2 GLU A 136 9.690 -4.400 -22.651 1.00 0.00 O ATOM 0 H GLU A 136 5.399 -1.998 -21.540 1.00 0.00 H new ATOM 0 HA GLU A 136 7.590 -0.142 -21.102 1.00 0.00 H new ATOM 0 HB2 GLU A 136 6.807 -1.907 -23.447 1.00 0.00 H new ATOM 0 HB3 GLU A 136 8.269 -0.943 -23.372 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.009 -2.242 -21.376 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.558 -3.219 -21.484 1.00 0.00 H new ATOM 2105 N HIS A 137 7.083 1.740 -22.681 1.00 0.00 N ATOM 2106 CA HIS A 137 6.671 2.935 -23.409 1.00 0.00 C ATOM 2107 C HIS A 137 7.707 3.314 -24.461 1.00 0.00 C ATOM 2108 O HIS A 137 7.387 3.452 -25.643 1.00 0.00 O ATOM 2109 CB HIS A 137 6.445 4.104 -22.447 1.00 0.00 C ATOM 2110 CG HIS A 137 5.962 5.352 -23.120 1.00 0.00 C ATOM 2111 ND1 HIS A 137 4.688 5.474 -23.633 1.00 0.00 N ATOM 2112 CD2 HIS A 137 6.582 6.530 -23.365 1.00 0.00 C ATOM 2113 CE1 HIS A 137 4.545 6.677 -24.164 1.00 0.00 C ATOM 2114 NE2 HIS A 137 5.680 7.336 -24.014 1.00 0.00 N ATOM 0 H HIS A 137 8.008 1.803 -22.257 1.00 0.00 H new ATOM 0 HA HIS A 137 5.731 2.712 -23.914 1.00 0.00 H new ATOM 0 HB2 HIS A 137 5.719 3.805 -21.690 1.00 0.00 H new ATOM 0 HB3 HIS A 137 7.378 4.320 -21.926 1.00 0.00 H new ATOM 0 HD2 HIS A 137 7.597 6.788 -23.100 1.00 0.00 H new ATOM 0 HE1 HIS A 137 3.652 7.056 -24.639 1.00 0.00 H new ATOM 0 HE2 HIS A 137 5.857 8.290 -24.329 1.00 0.00 H new ATOM 2121 N HIS A 138 8.951 3.485 -24.025 1.00 0.00 N ATOM 2122 CA HIS A 138 10.030 3.873 -24.926 1.00 0.00 C ATOM 2123 C HIS A 138 11.391 3.547 -24.317 1.00 0.00 C ATOM 2124 O HIS A 138 11.441 3.012 -23.211 1.00 0.00 O ATOM 2125 CB HIS A 138 9.948 5.366 -25.261 1.00 0.00 C ATOM 2126 CG HIS A 138 10.989 5.822 -26.234 1.00 0.00 C ATOM 2127 ND1 HIS A 138 10.948 5.496 -27.574 1.00 0.00 N ATOM 2128 CD2 HIS A 138 12.099 6.579 -26.065 1.00 0.00 C ATOM 2129 CE1 HIS A 138 11.990 6.034 -28.186 1.00 0.00 C ATOM 2130 NE2 HIS A 138 12.702 6.695 -27.292 1.00 0.00 N ATOM 0 H HIS A 138 9.237 3.361 -23.054 1.00 0.00 H new ATOM 0 HA HIS A 138 9.917 3.302 -25.847 1.00 0.00 H new ATOM 0 HB2 HIS A 138 8.961 5.584 -25.669 1.00 0.00 H new ATOM 0 HB3 HIS A 138 10.046 5.942 -24.341 1.00 0.00 H new ATOM 0 HD2 HIS A 138 12.445 7.011 -25.138 1.00 0.00 H new ATOM 0 HE1 HIS A 138 12.219 5.947 -29.238 1.00 0.00 H new ATOM 0 HE2 HIS A 138 13.562 7.209 -27.483 1.00 0.00 H new TER 2137 HIS A 138