USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 HIS : no HE2:sc= 1.04 K(o=2.2,f=-3.4) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 1.18 K(o=2.2,f=-7.3!) USER MOD Set 2.1: A 4 THR OG1 : rot -76:sc= 0.794 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.699 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.465 USER MOD Set 3.2: A 100 THR OG1 : rot -70:sc= 0.509 USER MOD Set 4.1: A 30 ASN : amide:sc= 0.00737 K(o=-0.24,f=-13!) USER MOD Set 4.2: A 37 HIS : no HE2:sc= -1 K(o=-0.24,f=-2.5) USER MOD Set 4.3: A 39 THR OG1 : rot 130:sc= 0.756 USER MOD Set 5.1: A 20 TYR OH : rot 30:sc= 0.18 USER MOD Set 5.2: A 81 TYR OH : rot -25:sc= 0.529 USER MOD Set 6.1: A 7 THR OG1 : rot 80:sc= 0.638 USER MOD Set 6.2: A 121 GLN : amide:sc= 1.48 K(o=2.9,f=-0.34) USER MOD Set 6.3: A 125 ASN : amide:sc= 0.755 K(o=2.9,f=-1.8!) USER MOD Single : A 1 MET CE :methyl -176:sc= -0.299 (180deg=-0.35) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.000606 (180deg=-0.152) USER MOD Single : A 2 ASN : amide:sc=-0.00587 X(o=-0.0059,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -72:sc= 0.141 USER MOD Single : A 22 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 33 SER OG : rot 170:sc= 0.987 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 35:sc= 0.451 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -132:sc= 0 (180deg=-0.166) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 110:sc= 0 USER MOD Single : A 71 THR OG1 : rot 153:sc= 0.783 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0171 X(o=-0.017,f=0.00074) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0526 X(o=-0.053,f=-0.2) USER MOD Single : A 116 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.3) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 126 ASN : amide:sc= 0.921 K(o=0.92,f=-1.3!) USER MOD Single : A 128 LYS NZ :NH3+ -175:sc= 0.929 (180deg=0.908) USER MOD Single : A 133 SER OG : rot 69:sc= 0.724 USER MOD Single : A 137 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.49) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.401 12.845 13.718 1.00 0.00 N ATOM 2 CA MET A 1 -0.683 13.269 12.522 1.00 0.00 C ATOM 3 C MET A 1 -1.057 12.399 11.326 1.00 0.00 C ATOM 4 O MET A 1 -0.778 11.201 11.307 1.00 0.00 O ATOM 5 CB MET A 1 0.824 13.221 12.764 1.00 0.00 C ATOM 6 CG MET A 1 1.324 14.199 13.818 1.00 0.00 C ATOM 7 SD MET A 1 1.057 15.920 13.352 1.00 0.00 S ATOM 8 CE MET A 1 2.224 16.090 12.005 1.00 0.00 C ATOM 0 H1 MET A 1 -1.278 13.556 14.467 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.413 12.745 13.498 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.025 11.931 14.043 1.00 0.00 H new ATOM 0 HA MET A 1 -0.970 14.296 12.298 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.099 12.210 13.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.337 13.425 11.824 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.817 14.000 14.762 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.388 14.033 13.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.229 17.123 11.656 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.221 15.819 12.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.933 15.432 11.186 1.00 0.00 H new ATOM 20 N ASN A 2 -1.692 13.010 10.331 1.00 0.00 N ATOM 21 CA ASN A 2 -2.004 12.318 9.085 1.00 0.00 C ATOM 22 C ASN A 2 -0.954 12.616 8.019 1.00 0.00 C ATOM 23 O ASN A 2 -0.635 13.775 7.755 1.00 0.00 O ATOM 24 CB ASN A 2 -3.388 12.682 8.579 1.00 0.00 C ATOM 25 CG ASN A 2 -4.501 12.236 9.486 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.713 11.037 9.700 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.263 13.191 9.956 1.00 0.00 N ATOM 0 H ASN A 2 -2.000 13.982 10.363 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.993 11.248 9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.446 13.763 8.452 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.534 12.237 7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.075 12.960 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.044 14.166 9.750 1.00 0.00 H new ATOM 34 N ILE A 3 -0.423 11.562 7.410 1.00 0.00 N ATOM 35 CA ILE A 3 0.573 11.711 6.356 1.00 0.00 C ATOM 36 C ILE A 3 -0.028 11.421 4.985 1.00 0.00 C ATOM 37 O ILE A 3 -0.660 10.383 4.779 1.00 0.00 O ATOM 38 CB ILE A 3 1.780 10.782 6.585 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.474 11.123 7.906 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.758 10.885 5.425 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.532 10.125 8.316 1.00 0.00 C ATOM 0 H ILE A 3 -0.665 10.596 7.628 1.00 0.00 H new ATOM 0 HA ILE A 3 0.913 12.746 6.388 1.00 0.00 H new ATOM 0 HB ILE A 3 1.420 9.755 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.931 12.109 7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.723 11.187 8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.605 10.222 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.258 10.595 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.113 11.912 5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.978 10.435 9.261 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.078 9.141 8.435 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.305 10.078 7.548 1.00 0.00 H new ATOM 53 N THR A 4 0.174 12.343 4.048 1.00 0.00 N ATOM 54 CA THR A 4 -0.344 12.184 2.696 1.00 0.00 C ATOM 55 C THR A 4 0.788 12.155 1.675 1.00 0.00 C ATOM 56 O THR A 4 1.659 13.024 1.675 1.00 0.00 O ATOM 57 CB THR A 4 -1.324 13.314 2.330 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.436 13.298 3.235 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.831 13.140 0.906 1.00 0.00 C ATOM 0 H THR A 4 0.693 13.208 4.202 1.00 0.00 H new ATOM 0 HA THR A 4 -0.877 11.233 2.672 1.00 0.00 H new ATOM 0 HB THR A 4 -0.800 14.267 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.043 12.567 2.995 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.522 13.947 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.989 13.164 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.346 12.183 0.817 1.00 0.00 H new ATOM 67 N VAL A 5 0.767 11.152 0.805 1.00 0.00 N ATOM 68 CA VAL A 5 1.797 11.002 -0.215 1.00 0.00 C ATOM 69 C VAL A 5 1.186 10.674 -1.572 1.00 0.00 C ATOM 70 O VAL A 5 0.048 10.213 -1.656 1.00 0.00 O ATOM 71 CB VAL A 5 2.809 9.904 0.161 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.562 10.283 1.428 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.104 8.568 0.342 1.00 0.00 C ATOM 0 H VAL A 5 0.047 10.430 0.786 1.00 0.00 H new ATOM 0 HA VAL A 5 2.318 11.957 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 5 3.528 9.807 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.273 9.495 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.099 11.218 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.855 10.408 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.835 7.804 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.363 8.653 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.609 8.289 -0.588 1.00 0.00 H new ATOM 83 N GLU A 6 1.948 10.917 -2.634 1.00 0.00 N ATOM 84 CA GLU A 6 1.469 10.677 -3.990 1.00 0.00 C ATOM 85 C GLU A 6 2.563 10.053 -4.852 1.00 0.00 C ATOM 86 O GLU A 6 3.726 10.454 -4.787 1.00 0.00 O ATOM 87 CB GLU A 6 0.976 11.980 -4.623 1.00 0.00 C ATOM 88 CG GLU A 6 -0.257 12.576 -3.957 1.00 0.00 C ATOM 89 CD GLU A 6 -0.692 13.839 -4.644 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.091 14.756 -4.712 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.765 13.851 -5.200 1.00 0.00 O ATOM 0 H GLU A 6 2.900 11.280 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 6 0.635 9.977 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.782 12.713 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.754 11.798 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.070 11.850 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.042 12.785 -2.909 1.00 0.00 H new ATOM 98 N THR A 7 2.182 9.070 -5.661 1.00 0.00 N ATOM 99 CA THR A 7 3.106 8.459 -6.608 1.00 0.00 C ATOM 100 C THR A 7 2.419 8.173 -7.939 1.00 0.00 C ATOM 101 O THR A 7 1.357 7.549 -7.980 1.00 0.00 O ATOM 102 CB THR A 7 3.699 7.149 -6.055 1.00 0.00 C ATOM 103 OG1 THR A 7 4.347 7.407 -4.803 1.00 0.00 O ATOM 104 CG2 THR A 7 4.708 6.566 -7.033 1.00 0.00 C ATOM 0 H THR A 7 1.240 8.680 -5.679 1.00 0.00 H new ATOM 0 HA THR A 7 3.914 9.173 -6.765 1.00 0.00 H new ATOM 0 HB THR A 7 2.890 6.432 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.676 7.454 -4.091 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.117 5.641 -6.626 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.216 6.358 -7.983 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.516 7.281 -7.192 1.00 0.00 H new ATOM 112 N THR A 8 3.032 8.629 -9.026 1.00 0.00 N ATOM 113 CA THR A 8 2.449 8.477 -10.353 1.00 0.00 C ATOM 114 C THR A 8 3.158 7.382 -11.142 1.00 0.00 C ATOM 115 O THR A 8 4.375 7.426 -11.329 1.00 0.00 O ATOM 116 CB THR A 8 2.507 9.792 -11.150 1.00 0.00 C ATOM 117 OG1 THR A 8 1.763 10.806 -10.461 1.00 0.00 O ATOM 118 CG2 THR A 8 1.924 9.598 -12.542 1.00 0.00 C ATOM 0 H THR A 8 3.933 9.107 -9.014 1.00 0.00 H new ATOM 0 HA THR A 8 1.405 8.199 -10.209 1.00 0.00 H new ATOM 0 HB THR A 8 3.549 10.097 -11.243 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.802 11.643 -10.969 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.973 10.538 -13.091 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.496 8.837 -13.073 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.885 9.280 -12.460 1.00 0.00 H new ATOM 126 N VAL A 9 2.391 6.401 -11.605 1.00 0.00 N ATOM 127 CA VAL A 9 2.955 5.261 -12.320 1.00 0.00 C ATOM 128 C VAL A 9 2.340 5.124 -13.708 1.00 0.00 C ATOM 129 O VAL A 9 1.170 5.443 -13.913 1.00 0.00 O ATOM 130 CB VAL A 9 2.746 3.948 -11.543 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.418 4.023 -10.179 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.263 3.649 -11.390 1.00 0.00 C ATOM 0 H VAL A 9 1.377 6.372 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 9 4.025 5.447 -12.417 1.00 0.00 H new ATOM 0 HB VAL A 9 3.204 3.137 -12.109 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.260 3.087 -9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.487 4.191 -10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.988 4.845 -9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.135 2.718 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.782 4.462 -10.846 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.808 3.553 -12.376 1.00 0.00 H new ATOM 142 N ALA A 10 3.136 4.645 -14.658 1.00 0.00 N ATOM 143 CA ALA A 10 2.664 4.439 -16.021 1.00 0.00 C ATOM 144 C ALA A 10 2.033 3.060 -16.181 1.00 0.00 C ATOM 145 O ALA A 10 2.636 2.155 -16.756 1.00 0.00 O ATOM 146 CB ALA A 10 3.806 4.618 -17.009 1.00 0.00 C ATOM 0 H ALA A 10 4.113 4.392 -14.508 1.00 0.00 H new ATOM 0 HA ALA A 10 1.898 5.186 -16.230 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.438 4.461 -18.023 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.208 5.627 -16.921 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.592 3.894 -16.792 1.00 0.00 H new ATOM 152 N ALA A 11 0.817 2.908 -15.668 1.00 0.00 N ATOM 153 CA ALA A 11 0.085 1.653 -15.798 1.00 0.00 C ATOM 154 C ALA A 11 -1.419 1.883 -15.709 1.00 0.00 C ATOM 155 O ALA A 11 -1.893 2.802 -15.041 1.00 0.00 O ATOM 156 CB ALA A 11 0.534 0.668 -14.728 1.00 0.00 C ATOM 0 H ALA A 11 0.318 3.637 -15.159 1.00 0.00 H new ATOM 0 HA ALA A 11 0.304 1.233 -16.780 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.020 -0.264 -14.836 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.600 0.471 -14.839 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.344 1.091 -13.741 1.00 0.00 H new ATOM 162 N PRO A 12 -2.190 1.030 -16.400 1.00 0.00 N ATOM 163 CA PRO A 12 -3.656 1.084 -16.366 1.00 0.00 C ATOM 164 C PRO A 12 -4.205 1.044 -14.945 1.00 0.00 C ATOM 165 O PRO A 12 -3.652 0.374 -14.073 1.00 0.00 O ATOM 166 CB PRO A 12 -4.089 -0.142 -17.177 1.00 0.00 C ATOM 167 CG PRO A 12 -2.942 -0.407 -18.091 1.00 0.00 C ATOM 168 CD PRO A 12 -1.711 -0.060 -17.297 1.00 0.00 C ATOM 0 HA PRO A 12 -4.041 2.017 -16.777 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.287 -0.997 -16.530 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.005 0.054 -17.735 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.924 -1.450 -18.408 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.011 0.199 -18.994 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.341 -0.915 -16.732 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.897 0.274 -17.940 1.00 0.00 H new ATOM 176 N VAL A 13 -5.297 1.768 -14.717 1.00 0.00 N ATOM 177 CA VAL A 13 -5.828 1.948 -13.370 1.00 0.00 C ATOM 178 C VAL A 13 -6.126 0.605 -12.714 1.00 0.00 C ATOM 179 O VAL A 13 -5.837 0.401 -11.536 1.00 0.00 O ATOM 180 CB VAL A 13 -7.109 2.802 -13.377 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.750 2.812 -11.998 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.802 4.221 -13.831 1.00 0.00 C ATOM 0 H VAL A 13 -5.831 2.239 -15.447 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.061 2.468 -12.795 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.813 2.360 -14.082 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.654 3.420 -12.021 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.006 1.793 -11.708 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.050 3.230 -11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.719 4.810 -13.830 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.080 4.672 -13.151 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.387 4.199 -14.838 1.00 0.00 H new ATOM 192 N GLY A 14 -6.706 -0.309 -13.484 1.00 0.00 N ATOM 193 CA GLY A 14 -7.074 -1.607 -12.949 1.00 0.00 C ATOM 194 C GLY A 14 -5.869 -2.424 -12.530 1.00 0.00 C ATOM 195 O GLY A 14 -5.886 -3.083 -11.490 1.00 0.00 O ATOM 0 H GLY A 14 -6.928 -0.174 -14.470 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.732 -1.470 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.640 -2.159 -13.700 1.00 0.00 H new ATOM 199 N LYS A 15 -4.818 -2.384 -13.344 1.00 0.00 N ATOM 200 CA LYS A 15 -3.579 -3.084 -13.026 1.00 0.00 C ATOM 201 C LYS A 15 -2.895 -2.454 -11.816 1.00 0.00 C ATOM 202 O LYS A 15 -2.334 -3.157 -10.974 1.00 0.00 O ATOM 203 CB LYS A 15 -2.635 -3.076 -14.230 1.00 0.00 C ATOM 204 CG LYS A 15 -3.088 -3.951 -15.390 1.00 0.00 C ATOM 205 CD LYS A 15 -2.070 -3.944 -16.520 1.00 0.00 C ATOM 206 CE LYS A 15 -2.532 -4.802 -17.689 1.00 0.00 C ATOM 207 NZ LYS A 15 -1.543 -4.808 -18.801 1.00 0.00 N ATOM 0 H LYS A 15 -4.800 -1.875 -14.228 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.827 -4.117 -12.782 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.527 -2.051 -14.585 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.649 -3.407 -13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.239 -4.972 -15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.049 -3.596 -15.762 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.908 -2.921 -16.859 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.113 -4.313 -16.152 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.698 -5.823 -17.346 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.488 -4.430 -18.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.896 -5.404 -19.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.403 -3.837 -19.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.637 -5.187 -18.458 1.00 0.00 H new ATOM 221 N VAL A 16 -2.946 -1.129 -11.733 1.00 0.00 N ATOM 222 CA VAL A 16 -2.357 -0.409 -10.612 1.00 0.00 C ATOM 223 C VAL A 16 -3.066 -0.750 -9.306 1.00 0.00 C ATOM 224 O VAL A 16 -2.422 -1.015 -8.290 1.00 0.00 O ATOM 225 CB VAL A 16 -2.407 1.115 -10.830 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.010 1.848 -9.558 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.500 1.519 -11.982 1.00 0.00 C ATOM 0 H VAL A 16 -3.390 -0.532 -12.430 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.315 -0.723 -10.549 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.430 1.393 -11.083 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.051 2.924 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.698 1.583 -8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.996 1.564 -9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.548 2.599 -12.121 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.474 1.228 -11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.827 1.020 -12.895 1.00 0.00 H new ATOM 237 N TRP A 17 -4.393 -0.743 -9.340 1.00 0.00 N ATOM 238 CA TRP A 17 -5.190 -1.074 -8.165 1.00 0.00 C ATOM 239 C TRP A 17 -4.952 -2.518 -7.736 1.00 0.00 C ATOM 240 O TRP A 17 -4.765 -2.800 -6.552 1.00 0.00 O ATOM 241 CB TRP A 17 -6.675 -0.853 -8.451 1.00 0.00 C ATOM 242 CG TRP A 17 -7.555 -1.111 -7.265 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.939 -0.207 -6.316 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.157 -2.359 -6.901 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.744 -0.818 -5.385 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.893 -2.136 -5.721 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.148 -3.640 -7.458 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.611 -3.149 -5.090 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -8.860 -4.644 -6.830 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.584 -4.395 -5.656 1.00 0.00 C ATOM 0 H TRP A 17 -4.940 -0.512 -10.169 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.883 -0.417 -7.352 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.824 0.173 -8.788 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.981 -1.505 -9.269 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.652 0.834 -6.300 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.163 -0.362 -4.574 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.595 -3.842 -8.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.170 -2.958 -4.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.859 -5.638 -7.251 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.131 -5.201 -5.189 1.00 0.00 H new ATOM 261 N ARG A 18 -4.961 -3.428 -8.704 1.00 0.00 N ATOM 262 CA ARG A 18 -4.791 -4.847 -8.420 1.00 0.00 C ATOM 263 C ARG A 18 -3.392 -5.130 -7.878 1.00 0.00 C ATOM 264 O ARG A 18 -3.222 -5.931 -6.960 1.00 0.00 O ATOM 265 CB ARG A 18 -5.111 -5.718 -9.627 1.00 0.00 C ATOM 266 CG ARG A 18 -6.592 -5.859 -9.938 1.00 0.00 C ATOM 267 CD ARG A 18 -6.893 -6.736 -11.098 1.00 0.00 C ATOM 268 NE ARG A 18 -8.311 -6.933 -11.354 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.812 -7.711 -12.333 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.018 -8.336 -13.174 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.125 -7.810 -12.442 1.00 0.00 N ATOM 0 H ARG A 18 -5.084 -3.208 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.512 -5.112 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.609 -5.302 -10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.693 -6.711 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.100 -6.254 -9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.007 -4.869 -10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.432 -6.310 -11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.428 -7.708 -10.933 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.973 -6.447 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.006 -8.236 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.414 -8.921 -13.910 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.730 -7.305 -11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.534 -8.392 -13.174 1.00 0.00 H new ATOM 285 N ALA A 19 -2.395 -4.467 -8.456 1.00 0.00 N ATOM 286 CA ALA A 19 -1.015 -4.625 -8.012 1.00 0.00 C ATOM 287 C ALA A 19 -0.829 -4.088 -6.597 1.00 0.00 C ATOM 288 O ALA A 19 -0.066 -4.645 -5.807 1.00 0.00 O ATOM 289 CB ALA A 19 -0.069 -3.922 -8.974 1.00 0.00 C ATOM 0 H ALA A 19 -2.517 -3.816 -9.232 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.781 -5.690 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.958 -4.048 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.175 -4.354 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.312 -2.860 -9.012 1.00 0.00 H new ATOM 295 N TYR A 20 -1.531 -3.005 -6.282 1.00 0.00 N ATOM 296 CA TYR A 20 -1.413 -2.370 -4.976 1.00 0.00 C ATOM 297 C TYR A 20 -1.902 -3.302 -3.870 1.00 0.00 C ATOM 298 O TYR A 20 -1.453 -3.219 -2.728 1.00 0.00 O ATOM 299 CB TYR A 20 -2.197 -1.056 -4.944 1.00 0.00 C ATOM 300 CG TYR A 20 -2.090 -0.309 -3.634 1.00 0.00 C ATOM 301 CD1 TYR A 20 -0.932 0.377 -3.297 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.147 -0.289 -2.737 1.00 0.00 C ATOM 303 CE1 TYR A 20 -0.827 1.061 -2.102 1.00 0.00 C ATOM 304 CE2 TYR A 20 -3.056 0.392 -1.539 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.893 1.066 -1.225 1.00 0.00 C ATOM 306 OH TYR A 20 -1.795 1.747 -0.033 1.00 0.00 O ATOM 0 H TYR A 20 -2.188 -2.549 -6.915 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.359 -2.153 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.840 -0.412 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.247 -1.266 -5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.097 0.376 -3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.058 -0.816 -2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.083 1.588 -1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.889 0.397 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.192 2.512 -0.142 1.00 0.00 H new ATOM 316 N THR A 21 -2.826 -4.191 -4.222 1.00 0.00 N ATOM 317 CA THR A 21 -3.470 -5.054 -3.239 1.00 0.00 C ATOM 318 C THR A 21 -3.194 -6.524 -3.536 1.00 0.00 C ATOM 319 O THR A 21 -3.944 -7.404 -3.112 1.00 0.00 O ATOM 320 CB THR A 21 -4.992 -4.825 -3.195 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.553 -5.074 -4.490 1.00 0.00 O ATOM 322 CG2 THR A 21 -5.304 -3.397 -2.776 1.00 0.00 C ATOM 0 H THR A 21 -3.145 -4.332 -5.180 1.00 0.00 H new ATOM 0 HA THR A 21 -3.047 -4.796 -2.268 1.00 0.00 H new ATOM 0 HB THR A 21 -5.427 -5.509 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.307 -4.347 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.384 -3.253 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.889 -3.210 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.862 -2.703 -3.491 1.00 0.00 H new ATOM 330 N THR A 22 -2.113 -6.784 -4.263 1.00 0.00 N ATOM 331 CA THR A 22 -1.611 -8.142 -4.429 1.00 0.00 C ATOM 332 C THR A 22 -0.557 -8.470 -3.377 1.00 0.00 C ATOM 333 O THR A 22 0.445 -7.771 -3.227 1.00 0.00 O ATOM 334 CB THR A 22 -1.008 -8.354 -5.829 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.025 -8.168 -6.823 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.433 -9.757 -5.955 1.00 0.00 C ATOM 0 H THR A 22 -1.567 -6.071 -4.747 1.00 0.00 H new ATOM 0 HA THR A 22 -2.463 -8.810 -4.307 1.00 0.00 H new ATOM 0 HB THR A 22 -0.208 -7.629 -5.977 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.257 -7.217 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.011 -9.889 -6.951 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.348 -9.898 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.224 -10.490 -5.796 1.00 0.00 H new ATOM 344 N PRO A 23 -0.787 -9.560 -2.628 1.00 0.00 N ATOM 345 CA PRO A 23 0.090 -9.960 -1.525 1.00 0.00 C ATOM 346 C PRO A 23 1.491 -10.326 -2.001 1.00 0.00 C ATOM 347 O PRO A 23 2.483 -10.023 -1.338 1.00 0.00 O ATOM 348 CB PRO A 23 -0.630 -11.159 -0.898 1.00 0.00 C ATOM 349 CG PRO A 23 -1.548 -11.642 -1.968 1.00 0.00 C ATOM 350 CD PRO A 23 -1.976 -10.405 -2.712 1.00 0.00 C ATOM 0 HA PRO A 23 0.252 -9.149 -0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.076 -11.935 -0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.181 -10.868 -0.003 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.044 -12.345 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.407 -12.163 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.245 -10.625 -3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.843 -9.933 -2.250 1.00 0.00 H new ATOM 358 N GLU A 24 1.566 -10.981 -3.156 1.00 0.00 N ATOM 359 CA GLU A 24 2.849 -11.325 -3.756 1.00 0.00 C ATOM 360 C GLU A 24 3.637 -10.068 -4.112 1.00 0.00 C ATOM 361 O GLU A 24 4.865 -10.042 -4.013 1.00 0.00 O ATOM 362 CB GLU A 24 2.646 -12.191 -5.001 1.00 0.00 C ATOM 363 CG GLU A 24 2.160 -13.604 -4.712 1.00 0.00 C ATOM 364 CD GLU A 24 1.923 -14.371 -5.983 1.00 0.00 C ATOM 365 OE1 GLU A 24 2.071 -13.800 -7.036 1.00 0.00 O ATOM 366 OE2 GLU A 24 1.703 -15.558 -5.905 1.00 0.00 O ATOM 0 H GLU A 24 0.754 -11.283 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 24 3.421 -11.894 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.927 -11.700 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.588 -12.248 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.897 -14.126 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.238 -13.562 -4.133 1.00 0.00 H new ATOM 373 N ASP A 25 2.925 -9.028 -4.527 1.00 0.00 N ATOM 374 CA ASP A 25 3.553 -7.757 -4.869 1.00 0.00 C ATOM 375 C ASP A 25 3.940 -6.985 -3.612 1.00 0.00 C ATOM 376 O ASP A 25 5.029 -6.416 -3.531 1.00 0.00 O ATOM 377 CB ASP A 25 2.621 -6.913 -5.742 1.00 0.00 C ATOM 378 CG ASP A 25 2.444 -7.435 -7.161 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.184 -8.307 -7.549 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.478 -7.073 -7.789 1.00 0.00 O ATOM 0 H ASP A 25 1.911 -9.039 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 25 4.461 -7.972 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.643 -6.860 -5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.009 -5.895 -5.788 1.00 0.00 H new ATOM 385 N ILE A 26 3.040 -6.970 -2.633 1.00 0.00 N ATOM 386 CA ILE A 26 3.241 -6.178 -1.426 1.00 0.00 C ATOM 387 C ILE A 26 4.455 -6.666 -0.642 1.00 0.00 C ATOM 388 O ILE A 26 5.264 -5.868 -0.170 1.00 0.00 O ATOM 389 CB ILE A 26 2.001 -6.218 -0.514 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.840 -5.456 -1.158 1.00 0.00 C ATOM 391 CG2 ILE A 26 2.329 -5.639 0.854 1.00 0.00 C ATOM 392 CD1 ILE A 26 -0.494 -5.696 -0.487 1.00 0.00 C ATOM 0 H ILE A 26 2.167 -7.496 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 26 3.411 -5.150 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 26 1.699 -7.257 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.061 -4.389 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.766 -5.744 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.442 -5.675 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.126 -6.222 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.654 -4.605 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.267 -5.123 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.739 -6.757 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.439 -5.381 0.555 1.00 0.00 H new ATOM 404 N LYS A 27 4.575 -7.983 -0.510 1.00 0.00 N ATOM 405 CA LYS A 27 5.645 -8.578 0.283 1.00 0.00 C ATOM 406 C LYS A 27 7.010 -8.250 -0.315 1.00 0.00 C ATOM 407 O LYS A 27 8.030 -8.325 0.370 1.00 0.00 O ATOM 408 CB LYS A 27 5.462 -10.093 0.382 1.00 0.00 C ATOM 409 CG LYS A 27 5.727 -10.845 -0.916 1.00 0.00 C ATOM 410 CD LYS A 27 5.495 -12.339 -0.747 1.00 0.00 C ATOM 411 CE LYS A 27 5.901 -13.108 -1.995 1.00 0.00 C ATOM 412 NZ LYS A 27 5.667 -14.570 -1.849 1.00 0.00 N ATOM 0 H LYS A 27 3.945 -8.659 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 27 5.597 -8.154 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.129 -10.478 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.443 -10.303 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.076 -10.460 -1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.753 -10.668 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.065 -12.703 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.443 -12.523 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.338 -12.734 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.956 -12.929 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.957 -15.057 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.224 -14.932 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.657 -14.744 -1.675 1.00 0.00 H new ATOM 426 N GLN A 28 7.021 -7.886 -1.593 1.00 0.00 N ATOM 427 CA GLN A 28 8.262 -7.552 -2.281 1.00 0.00 C ATOM 428 C GLN A 28 8.601 -6.076 -2.107 1.00 0.00 C ATOM 429 O GLN A 28 9.759 -5.678 -2.224 1.00 0.00 O ATOM 430 CB GLN A 28 8.157 -7.887 -3.772 1.00 0.00 C ATOM 431 CG GLN A 28 8.110 -9.375 -4.073 1.00 0.00 C ATOM 432 CD GLN A 28 8.066 -9.663 -5.562 1.00 0.00 C ATOM 433 OE1 GLN A 28 9.081 -9.571 -6.257 1.00 0.00 O ATOM 434 NE2 GLN A 28 6.885 -10.011 -6.062 1.00 0.00 N ATOM 0 H GLN A 28 6.185 -7.815 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 28 9.060 -8.148 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.260 -7.417 -4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.009 -7.449 -4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.985 -9.859 -3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.233 -9.812 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.071 -10.075 -5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.792 -10.214 -7.057 1.00 0.00 H new ATOM 443 N TRP A 29 7.583 -5.269 -1.824 1.00 0.00 N ATOM 444 CA TRP A 29 7.740 -3.820 -1.807 1.00 0.00 C ATOM 445 C TRP A 29 8.228 -3.341 -0.444 1.00 0.00 C ATOM 446 O TRP A 29 8.519 -2.159 -0.259 1.00 0.00 O ATOM 447 CB TRP A 29 6.419 -3.135 -2.164 1.00 0.00 C ATOM 448 CG TRP A 29 5.957 -3.419 -3.563 1.00 0.00 C ATOM 449 CD1 TRP A 29 6.692 -3.976 -4.566 1.00 0.00 C ATOM 450 CD2 TRP A 29 4.659 -3.158 -4.109 1.00 0.00 C ATOM 451 NE1 TRP A 29 5.933 -4.079 -5.706 1.00 0.00 N ATOM 452 CE2 TRP A 29 4.679 -3.585 -5.450 1.00 0.00 C ATOM 453 CE3 TRP A 29 3.480 -2.606 -3.594 1.00 0.00 C ATOM 454 CZ2 TRP A 29 3.574 -3.476 -6.281 1.00 0.00 C ATOM 455 CZ3 TRP A 29 2.372 -2.500 -4.427 1.00 0.00 C ATOM 456 CH2 TRP A 29 2.418 -2.922 -5.731 1.00 0.00 C ATOM 0 H TRP A 29 6.642 -5.594 -1.604 1.00 0.00 H new ATOM 0 HA TRP A 29 8.488 -3.553 -2.553 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.650 -3.459 -1.463 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.532 -2.058 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.721 -4.291 -4.477 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.250 -4.460 -6.597 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.432 -2.269 -2.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.607 -3.806 -7.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.457 -2.077 -4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.537 -2.823 -6.348 1.00 0.00 H new ATOM 467 N ASN A 30 8.315 -4.265 0.507 1.00 0.00 N ATOM 468 CA ASN A 30 8.841 -3.952 1.830 1.00 0.00 C ATOM 469 C ASN A 30 10.087 -3.079 1.728 1.00 0.00 C ATOM 470 O ASN A 30 10.989 -3.355 0.937 1.00 0.00 O ATOM 471 CB ASN A 30 9.143 -5.211 2.621 1.00 0.00 C ATOM 472 CG ASN A 30 9.549 -4.949 4.045 1.00 0.00 C ATOM 473 OD1 ASN A 30 10.004 -3.852 4.390 1.00 0.00 O ATOM 474 ND2 ASN A 30 9.465 -5.974 4.854 1.00 0.00 N ATOM 0 H ASN A 30 8.028 -5.236 0.386 1.00 0.00 H new ATOM 0 HA ASN A 30 8.070 -3.396 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.262 -5.852 2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.940 -5.761 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.783 -5.889 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.081 -6.858 4.519 1.00 0.00 H new ATOM 481 N ALA A 31 10.132 -2.023 2.533 1.00 0.00 N ATOM 482 CA ALA A 31 11.159 -0.997 2.393 1.00 0.00 C ATOM 483 C ALA A 31 12.507 -1.499 2.897 1.00 0.00 C ATOM 484 O ALA A 31 13.553 -0.954 2.546 1.00 0.00 O ATOM 485 CB ALA A 31 10.749 0.264 3.140 1.00 0.00 C ATOM 0 H ALA A 31 9.469 -1.855 3.290 1.00 0.00 H new ATOM 0 HA ALA A 31 11.262 -0.761 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.524 1.022 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.811 0.641 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.617 0.034 4.197 1.00 0.00 H new ATOM 491 N ALA A 32 12.475 -2.539 3.722 1.00 0.00 N ATOM 492 CA ALA A 32 13.684 -3.040 4.368 1.00 0.00 C ATOM 493 C ALA A 32 14.482 -3.933 3.425 1.00 0.00 C ATOM 494 O ALA A 32 14.158 -4.049 2.243 1.00 0.00 O ATOM 495 CB ALA A 32 13.328 -3.796 5.640 1.00 0.00 C ATOM 0 H ALA A 32 11.626 -3.052 3.960 1.00 0.00 H new ATOM 0 HA ALA A 32 14.307 -2.185 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.239 -4.164 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.808 -3.128 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.681 -4.638 5.394 1.00 0.00 H new ATOM 501 N SER A 33 15.526 -4.561 3.955 1.00 0.00 N ATOM 502 CA SER A 33 16.458 -5.322 3.131 1.00 0.00 C ATOM 503 C SER A 33 15.756 -6.503 2.465 1.00 0.00 C ATOM 504 O SER A 33 14.939 -7.184 3.086 1.00 0.00 O ATOM 505 CB SER A 33 17.626 -5.805 3.971 1.00 0.00 C ATOM 506 OG SER A 33 18.449 -6.692 3.266 1.00 0.00 O ATOM 0 H SER A 33 15.748 -4.558 4.951 1.00 0.00 H new ATOM 0 HA SER A 33 16.837 -4.667 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.214 -4.948 4.300 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.249 -6.296 4.868 1.00 0.00 H new ATOM 0 HG SER A 33 19.269 -6.854 3.777 1.00 0.00 H new ATOM 512 N ASP A 34 16.080 -6.738 1.200 1.00 0.00 N ATOM 513 CA ASP A 34 15.576 -7.905 0.486 1.00 0.00 C ATOM 514 C ASP A 34 16.394 -9.146 0.825 1.00 0.00 C ATOM 515 O ASP A 34 16.068 -10.253 0.398 1.00 0.00 O ATOM 516 CB ASP A 34 15.591 -7.660 -1.025 1.00 0.00 C ATOM 517 CG ASP A 34 14.548 -6.662 -1.511 1.00 0.00 C ATOM 518 OD1 ASP A 34 13.651 -6.357 -0.761 1.00 0.00 O ATOM 519 OD2 ASP A 34 14.742 -6.095 -2.560 1.00 0.00 O ATOM 0 H ASP A 34 16.690 -6.136 0.647 1.00 0.00 H new ATOM 0 HA ASP A 34 14.547 -8.074 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.580 -7.303 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.434 -8.610 -1.536 1.00 0.00 H new ATOM 524 N ASP A 35 17.459 -8.953 1.596 1.00 0.00 N ATOM 525 CA ASP A 35 18.432 -10.014 1.835 1.00 0.00 C ATOM 526 C ASP A 35 18.370 -10.492 3.283 1.00 0.00 C ATOM 527 O ASP A 35 18.387 -11.692 3.550 1.00 0.00 O ATOM 528 CB ASP A 35 19.845 -9.533 1.495 1.00 0.00 C ATOM 529 CG ASP A 35 20.033 -9.105 0.047 1.00 0.00 C ATOM 530 OD1 ASP A 35 19.761 -9.894 -0.826 1.00 0.00 O ATOM 531 OD2 ASP A 35 20.295 -7.947 -0.180 1.00 0.00 O ATOM 0 H ASP A 35 17.671 -8.073 2.066 1.00 0.00 H new ATOM 0 HA ASP A 35 18.183 -10.854 1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.096 -8.694 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.551 -10.332 1.719 1.00 0.00 H new ATOM 536 N TRP A 36 18.301 -9.543 4.210 1.00 0.00 N ATOM 537 CA TRP A 36 18.310 -9.865 5.632 1.00 0.00 C ATOM 538 C TRP A 36 16.927 -9.664 6.245 1.00 0.00 C ATOM 539 O TRP A 36 16.798 -9.437 7.448 1.00 0.00 O ATOM 540 CB TRP A 36 19.341 -9.008 6.368 1.00 0.00 C ATOM 541 CG TRP A 36 20.754 -9.274 5.942 1.00 0.00 C ATOM 542 CD1 TRP A 36 21.514 -8.504 5.114 1.00 0.00 C ATOM 543 CD2 TRP A 36 21.573 -10.386 6.322 1.00 0.00 C ATOM 544 NE1 TRP A 36 22.756 -9.066 4.953 1.00 0.00 N ATOM 545 CE2 TRP A 36 22.818 -10.223 5.687 1.00 0.00 C ATOM 546 CE3 TRP A 36 21.373 -11.505 7.141 1.00 0.00 C ATOM 547 CZ2 TRP A 36 23.854 -11.132 5.840 1.00 0.00 C ATOM 548 CZ3 TRP A 36 22.413 -12.414 7.294 1.00 0.00 C ATOM 549 CH2 TRP A 36 23.618 -12.232 6.664 1.00 0.00 C ATOM 0 H TRP A 36 18.238 -8.546 4.003 1.00 0.00 H new ATOM 0 HA TRP A 36 18.584 -10.915 5.738 1.00 0.00 H new ATOM 0 HB2 TRP A 36 19.112 -7.955 6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 36 19.253 -9.188 7.439 1.00 0.00 H new ATOM 0 HD1 TRP A 36 21.187 -7.585 4.651 1.00 0.00 H new ATOM 0 HE1 TRP A 36 23.510 -8.685 4.381 1.00 0.00 H new ATOM 0 HE3 TRP A 36 20.429 -11.658 7.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 24.803 -10.994 5.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 22.270 -13.281 7.922 1.00 0.00 H new ATOM 0 HH2 TRP A 36 24.403 -12.959 6.810 1.00 0.00 H new ATOM 560 N HIS A 37 15.897 -9.748 5.410 1.00 0.00 N ATOM 561 CA HIS A 37 14.519 -9.737 5.890 1.00 0.00 C ATOM 562 C HIS A 37 13.637 -10.636 5.031 1.00 0.00 C ATOM 563 O HIS A 37 13.726 -10.621 3.803 1.00 0.00 O ATOM 564 CB HIS A 37 13.961 -8.310 5.905 1.00 0.00 C ATOM 565 CG HIS A 37 12.664 -8.181 6.640 1.00 0.00 C ATOM 566 ND1 HIS A 37 11.450 -8.504 6.070 1.00 0.00 N ATOM 567 CD2 HIS A 37 12.389 -7.762 7.898 1.00 0.00 C ATOM 568 CE1 HIS A 37 10.485 -8.291 6.948 1.00 0.00 C ATOM 569 NE2 HIS A 37 11.028 -7.840 8.064 1.00 0.00 N ATOM 0 H HIS A 37 15.990 -9.824 4.397 1.00 0.00 H new ATOM 0 HA HIS A 37 14.517 -10.123 6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.695 -7.647 6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.822 -7.972 4.878 1.00 0.00 H new ATOM 0 HD1 HIS A 37 11.318 -8.852 5.120 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.106 -7.429 8.634 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.431 -8.458 6.781 1.00 0.00 H new ATOM 576 N THR A 38 12.786 -11.421 5.685 1.00 0.00 N ATOM 577 CA THR A 38 11.814 -12.246 4.981 1.00 0.00 C ATOM 578 C THR A 38 10.397 -11.712 5.171 1.00 0.00 C ATOM 579 O THR A 38 9.965 -11.458 6.295 1.00 0.00 O ATOM 580 CB THR A 38 11.868 -13.710 5.454 1.00 0.00 C ATOM 581 OG1 THR A 38 13.168 -14.252 5.190 1.00 0.00 O ATOM 582 CG2 THR A 38 10.819 -14.544 4.733 1.00 0.00 C ATOM 0 H THR A 38 12.751 -11.502 6.701 1.00 0.00 H new ATOM 0 HA THR A 38 12.075 -12.206 3.924 1.00 0.00 H new ATOM 0 HB THR A 38 11.665 -13.737 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.202 -15.183 5.493 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.873 -15.576 5.081 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.828 -14.142 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.004 -14.513 3.659 1.00 0.00 H new ATOM 590 N THR A 39 9.681 -11.544 4.065 1.00 0.00 N ATOM 591 CA THR A 39 8.355 -10.941 4.098 1.00 0.00 C ATOM 592 C THR A 39 7.333 -11.816 3.380 1.00 0.00 C ATOM 593 O THR A 39 7.603 -12.344 2.301 1.00 0.00 O ATOM 594 CB THR A 39 8.355 -9.539 3.459 1.00 0.00 C ATOM 595 OG1 THR A 39 9.320 -8.710 4.119 1.00 0.00 O ATOM 596 CG2 THR A 39 6.979 -8.901 3.574 1.00 0.00 C ATOM 0 H THR A 39 9.997 -11.817 3.134 1.00 0.00 H new ATOM 0 HA THR A 39 8.078 -10.851 5.148 1.00 0.00 H new ATOM 0 HB THR A 39 8.612 -9.637 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.894 -8.280 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.998 -7.911 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.245 -9.523 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.707 -8.810 4.626 1.00 0.00 H new ATOM 604 N ALA A 40 6.160 -11.967 3.986 1.00 0.00 N ATOM 605 CA ALA A 40 5.056 -12.669 3.346 1.00 0.00 C ATOM 606 C ALA A 40 3.725 -11.988 3.646 1.00 0.00 C ATOM 607 O ALA A 40 3.524 -11.447 4.732 1.00 0.00 O ATOM 608 CB ALA A 40 5.020 -14.122 3.801 1.00 0.00 C ATOM 0 H ALA A 40 5.950 -11.612 4.919 1.00 0.00 H new ATOM 0 HA ALA A 40 5.216 -12.640 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.190 -14.635 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.956 -14.611 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.888 -14.162 4.882 1.00 0.00 H new ATOM 614 N ALA A 41 2.818 -12.018 2.675 1.00 0.00 N ATOM 615 CA ALA A 41 1.520 -11.370 2.819 1.00 0.00 C ATOM 616 C ALA A 41 0.406 -12.238 2.245 1.00 0.00 C ATOM 617 O ALA A 41 0.619 -12.995 1.298 1.00 0.00 O ATOM 618 CB ALA A 41 1.533 -10.008 2.143 1.00 0.00 C ATOM 0 H ALA A 41 2.959 -12.485 1.779 1.00 0.00 H new ATOM 0 HA ALA A 41 1.326 -11.233 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.558 -9.535 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.297 -9.381 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.754 -10.130 1.083 1.00 0.00 H new ATOM 624 N THR A 42 -0.786 -12.122 2.825 1.00 0.00 N ATOM 625 CA THR A 42 -1.988 -12.678 2.217 1.00 0.00 C ATOM 626 C THR A 42 -3.140 -11.681 2.265 1.00 0.00 C ATOM 627 O THR A 42 -3.434 -11.105 3.312 1.00 0.00 O ATOM 628 CB THR A 42 -2.420 -13.982 2.911 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.358 -14.943 2.834 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.664 -14.553 2.247 1.00 0.00 C ATOM 0 H THR A 42 -0.943 -11.648 3.714 1.00 0.00 H new ATOM 0 HA THR A 42 -1.743 -12.896 1.177 1.00 0.00 H new ATOM 0 HB THR A 42 -2.646 -13.762 3.955 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.634 -15.772 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.955 -15.475 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.477 -13.830 2.315 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.453 -14.764 1.199 1.00 0.00 H new ATOM 638 N VAL A 43 -3.792 -11.481 1.122 1.00 0.00 N ATOM 639 CA VAL A 43 -4.849 -10.483 1.011 1.00 0.00 C ATOM 640 C VAL A 43 -6.129 -11.099 0.454 1.00 0.00 C ATOM 641 O VAL A 43 -6.111 -11.766 -0.580 1.00 0.00 O ATOM 642 CB VAL A 43 -4.421 -9.307 0.114 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.552 -8.295 -0.011 1.00 0.00 C ATOM 644 CG2 VAL A 43 -3.171 -8.641 0.666 1.00 0.00 C ATOM 0 H VAL A 43 -3.606 -11.997 0.262 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.038 -10.108 2.017 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.193 -9.696 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.233 -7.470 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.425 -8.777 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.809 -7.912 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.884 -7.812 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.372 -8.265 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.359 -9.367 0.707 1.00 0.00 H new ATOM 654 N ASP A 44 -7.238 -10.869 1.147 1.00 0.00 N ATOM 655 CA ASP A 44 -8.556 -11.167 0.600 1.00 0.00 C ATOM 656 C ASP A 44 -9.160 -9.933 -0.064 1.00 0.00 C ATOM 657 O ASP A 44 -9.485 -8.952 0.605 1.00 0.00 O ATOM 658 CB ASP A 44 -9.490 -11.686 1.696 1.00 0.00 C ATOM 659 CG ASP A 44 -10.875 -12.087 1.205 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.138 -11.928 0.037 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.598 -12.692 1.960 1.00 0.00 O ATOM 0 H ASP A 44 -7.251 -10.477 2.089 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.439 -11.944 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.024 -12.547 2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.598 -10.916 2.460 1.00 0.00 H new ATOM 666 N LEU A 45 -9.307 -9.989 -1.383 1.00 0.00 N ATOM 667 CA LEU A 45 -9.713 -8.823 -2.159 1.00 0.00 C ATOM 668 C LEU A 45 -11.230 -8.659 -2.141 1.00 0.00 C ATOM 669 O LEU A 45 -11.929 -9.164 -3.020 1.00 0.00 O ATOM 670 CB LEU A 45 -9.203 -8.938 -3.600 1.00 0.00 C ATOM 671 CG LEU A 45 -7.687 -8.775 -3.771 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.305 -8.943 -5.236 1.00 0.00 C ATOM 673 CD2 LEU A 45 -7.260 -7.408 -3.256 1.00 0.00 C ATOM 0 H LEU A 45 -9.151 -10.831 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.271 -7.938 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.495 -9.911 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.704 -8.184 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.172 -9.543 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.227 -8.825 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.599 -9.936 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.816 -8.188 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.183 -7.293 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.774 -6.630 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.517 -7.320 -2.200 1.00 0.00 H new ATOM 685 N ARG A 46 -11.731 -7.947 -1.138 1.00 0.00 N ATOM 686 CA ARG A 46 -13.148 -7.611 -1.073 1.00 0.00 C ATOM 687 C ARG A 46 -13.403 -6.535 -0.021 1.00 0.00 C ATOM 688 O ARG A 46 -12.636 -6.388 0.929 1.00 0.00 O ATOM 689 CB ARG A 46 -14.021 -8.835 -0.845 1.00 0.00 C ATOM 690 CG ARG A 46 -13.802 -9.538 0.486 1.00 0.00 C ATOM 691 CD ARG A 46 -14.577 -10.795 0.648 1.00 0.00 C ATOM 692 NE ARG A 46 -14.201 -11.588 1.808 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.734 -11.446 3.037 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.636 -10.522 3.281 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.309 -12.247 3.999 1.00 0.00 N ATOM 0 H ARG A 46 -11.177 -7.591 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.430 -7.207 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.067 -8.535 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.840 -9.547 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.741 -9.763 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.068 -8.855 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.636 -10.548 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.452 -11.403 -0.248 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.483 -12.302 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.943 -9.899 2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.029 -10.428 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.596 -12.949 3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.694 -12.163 4.940 1.00 0.00 H new ATOM 709 N GLU A 47 -14.488 -5.786 -0.199 1.00 0.00 N ATOM 710 CA GLU A 47 -14.946 -4.850 0.821 1.00 0.00 C ATOM 711 C GLU A 47 -15.346 -5.589 2.095 1.00 0.00 C ATOM 712 O GLU A 47 -16.229 -6.445 2.078 1.00 0.00 O ATOM 713 CB GLU A 47 -16.121 -4.020 0.301 1.00 0.00 C ATOM 714 CG GLU A 47 -16.537 -2.877 1.215 1.00 0.00 C ATOM 715 CD GLU A 47 -17.462 -1.923 0.512 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.072 -1.379 -0.493 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.598 -1.824 0.913 1.00 0.00 O ATOM 0 H GLU A 47 -15.065 -5.810 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.121 -4.178 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.858 -3.611 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.977 -4.678 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.030 -3.278 2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.651 -2.342 1.558 1.00 0.00 H new ATOM 724 N GLY A 48 -14.688 -5.251 3.201 1.00 0.00 N ATOM 725 CA GLY A 48 -14.869 -5.999 4.430 1.00 0.00 C ATOM 726 C GLY A 48 -13.890 -7.148 4.559 1.00 0.00 C ATOM 727 O GLY A 48 -13.793 -7.778 5.611 1.00 0.00 O ATOM 0 H GLY A 48 -14.033 -4.472 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.751 -5.328 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.887 -6.387 4.469 1.00 0.00 H new ATOM 731 N GLY A 49 -13.161 -7.427 3.481 1.00 0.00 N ATOM 732 CA GLY A 49 -12.245 -8.552 3.476 1.00 0.00 C ATOM 733 C GLY A 49 -11.006 -8.296 4.308 1.00 0.00 C ATOM 734 O GLY A 49 -10.601 -7.148 4.494 1.00 0.00 O ATOM 0 H GLY A 49 -13.189 -6.894 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.758 -9.435 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.950 -8.772 2.450 1.00 0.00 H new ATOM 738 N ALA A 50 -10.401 -9.368 4.813 1.00 0.00 N ATOM 739 CA ALA A 50 -9.261 -9.247 5.712 1.00 0.00 C ATOM 740 C ALA A 50 -7.948 -9.455 4.967 1.00 0.00 C ATOM 741 O ALA A 50 -7.905 -10.148 3.949 1.00 0.00 O ATOM 742 CB ALA A 50 -9.384 -10.244 6.855 1.00 0.00 C ATOM 0 H ALA A 50 -10.682 -10.328 4.614 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.259 -8.237 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.526 -10.143 7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.300 -10.047 7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.415 -11.257 6.453 1.00 0.00 H new ATOM 748 N PHE A 51 -6.880 -8.851 5.475 1.00 0.00 N ATOM 749 CA PHE A 51 -5.542 -9.090 4.949 1.00 0.00 C ATOM 750 C PHE A 51 -4.509 -9.102 6.072 1.00 0.00 C ATOM 751 O PHE A 51 -4.726 -8.519 7.135 1.00 0.00 O ATOM 752 CB PHE A 51 -5.179 -8.030 3.907 1.00 0.00 C ATOM 753 CG PHE A 51 -5.193 -6.626 4.441 1.00 0.00 C ATOM 754 CD1 PHE A 51 -4.050 -6.067 4.992 1.00 0.00 C ATOM 755 CD2 PHE A 51 -6.348 -5.861 4.395 1.00 0.00 C ATOM 756 CE1 PHE A 51 -4.061 -4.776 5.485 1.00 0.00 C ATOM 757 CE2 PHE A 51 -6.362 -4.570 4.885 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.217 -4.027 5.430 1.00 0.00 C ATOM 0 H PHE A 51 -6.915 -8.191 6.252 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.538 -10.069 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.187 -8.248 3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.878 -8.099 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.140 -6.647 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.248 -6.280 3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.164 -4.354 5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.269 -3.986 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.226 -3.017 5.813 1.00 0.00 H new ATOM 768 N SER A 52 -3.386 -9.768 5.829 1.00 0.00 N ATOM 769 CA SER A 52 -2.367 -9.954 6.856 1.00 0.00 C ATOM 770 C SER A 52 -0.972 -9.975 6.240 1.00 0.00 C ATOM 771 O SER A 52 -0.783 -10.455 5.123 1.00 0.00 O ATOM 772 CB SER A 52 -2.627 -11.234 7.626 1.00 0.00 C ATOM 773 OG SER A 52 -1.650 -11.468 8.602 1.00 0.00 O ATOM 0 H SER A 52 -3.158 -10.189 4.928 1.00 0.00 H new ATOM 0 HA SER A 52 -2.418 -9.113 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.607 -11.179 8.100 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.655 -12.075 6.933 1.00 0.00 H new ATOM 0 HG SER A 52 -1.353 -10.614 8.979 1.00 0.00 H new ATOM 779 N SER A 53 0.000 -9.449 6.977 1.00 0.00 N ATOM 780 CA SER A 53 1.393 -9.478 6.540 1.00 0.00 C ATOM 781 C SER A 53 2.310 -9.916 7.676 1.00 0.00 C ATOM 782 O SER A 53 2.260 -9.368 8.778 1.00 0.00 O ATOM 783 CB SER A 53 1.805 -8.114 6.020 1.00 0.00 C ATOM 784 OG SER A 53 3.143 -8.095 5.601 1.00 0.00 O ATOM 0 H SER A 53 -0.150 -8.997 7.879 1.00 0.00 H new ATOM 0 HA SER A 53 1.486 -10.205 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.160 -7.833 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.659 -7.368 6.802 1.00 0.00 H new ATOM 0 HG SER A 53 3.370 -7.200 5.271 1.00 0.00 H new ATOM 790 N ARG A 54 3.151 -10.909 7.400 1.00 0.00 N ATOM 791 CA ARG A 54 4.091 -11.412 8.393 1.00 0.00 C ATOM 792 C ARG A 54 5.520 -11.011 8.041 1.00 0.00 C ATOM 793 O ARG A 54 6.028 -11.361 6.976 1.00 0.00 O ATOM 794 CB ARG A 54 3.964 -12.916 8.596 1.00 0.00 C ATOM 795 CG ARG A 54 4.886 -13.498 9.655 1.00 0.00 C ATOM 796 CD ARG A 54 4.771 -14.969 9.826 1.00 0.00 C ATOM 797 NE ARG A 54 5.595 -15.518 10.890 1.00 0.00 N ATOM 798 CZ ARG A 54 6.913 -15.773 10.784 1.00 0.00 C ATOM 799 NH1 ARG A 54 7.553 -15.566 9.655 1.00 0.00 N ATOM 800 NH2 ARG A 54 7.542 -16.261 11.839 1.00 0.00 N ATOM 0 H ARG A 54 3.200 -11.380 6.497 1.00 0.00 H new ATOM 0 HA ARG A 54 3.836 -10.948 9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.933 -13.146 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.164 -13.414 7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.916 -13.254 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.674 -13.016 10.609 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.729 -15.219 10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.041 -15.453 8.888 1.00 0.00 H new ATOM 0 HE ARG A 54 5.143 -15.725 11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.051 -15.207 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.552 -15.764 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.029 -16.435 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.540 -16.464 11.789 1.00 0.00 H new ATOM 814 N MET A 55 6.162 -10.272 8.942 1.00 0.00 N ATOM 815 CA MET A 55 7.535 -9.831 8.729 1.00 0.00 C ATOM 816 C MET A 55 8.484 -10.518 9.707 1.00 0.00 C ATOM 817 O MET A 55 8.235 -10.542 10.911 1.00 0.00 O ATOM 818 CB MET A 55 7.631 -8.314 8.872 1.00 0.00 C ATOM 819 CG MET A 55 6.846 -7.532 7.828 1.00 0.00 C ATOM 820 SD MET A 55 7.051 -5.748 7.997 1.00 0.00 S ATOM 821 CE MET A 55 5.951 -5.159 6.712 1.00 0.00 C ATOM 0 H MET A 55 5.753 -9.967 9.825 1.00 0.00 H new ATOM 0 HA MET A 55 7.831 -10.108 7.717 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.275 -8.032 9.863 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.679 -8.022 8.814 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.168 -7.838 6.833 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.788 -7.782 7.912 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.967 -4.069 6.690 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.278 -5.546 5.747 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.937 -5.503 6.916 1.00 0.00 H new ATOM 831 N GLU A 56 9.572 -11.071 9.179 1.00 0.00 N ATOM 832 CA GLU A 56 10.561 -11.748 10.008 1.00 0.00 C ATOM 833 C GLU A 56 11.975 -11.320 9.627 1.00 0.00 C ATOM 834 O GLU A 56 12.278 -11.118 8.452 1.00 0.00 O ATOM 835 CB GLU A 56 10.417 -13.266 9.884 1.00 0.00 C ATOM 836 CG GLU A 56 11.335 -14.062 10.801 1.00 0.00 C ATOM 837 CD GLU A 56 11.178 -15.541 10.581 1.00 0.00 C ATOM 838 OE1 GLU A 56 10.080 -16.027 10.700 1.00 0.00 O ATOM 839 OE2 GLU A 56 12.133 -16.167 10.184 1.00 0.00 O ATOM 0 H GLU A 56 9.790 -11.063 8.183 1.00 0.00 H new ATOM 0 HA GLU A 56 10.383 -11.463 11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.384 -13.539 10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.616 -13.554 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.371 -13.773 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.112 -13.821 11.840 1.00 0.00 H new ATOM 846 N ALA A 57 12.837 -11.181 10.629 1.00 0.00 N ATOM 847 CA ALA A 57 14.252 -10.929 10.393 1.00 0.00 C ATOM 848 C ALA A 57 14.964 -12.192 9.922 1.00 0.00 C ATOM 849 O ALA A 57 14.707 -13.287 10.423 1.00 0.00 O ATOM 850 CB ALA A 57 14.911 -10.388 11.653 1.00 0.00 C ATOM 0 H ALA A 57 12.578 -11.239 11.614 1.00 0.00 H new ATOM 0 HA ALA A 57 14.335 -10.181 9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.968 -10.205 11.461 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.428 -9.455 11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.810 -11.116 12.458 1.00 0.00 H new ATOM 856 N LYS A 58 15.860 -12.035 8.953 1.00 0.00 N ATOM 857 CA LYS A 58 16.642 -13.156 8.444 1.00 0.00 C ATOM 858 C LYS A 58 17.496 -13.769 9.548 1.00 0.00 C ATOM 859 O LYS A 58 17.794 -14.964 9.524 1.00 0.00 O ATOM 860 CB LYS A 58 17.525 -12.709 7.278 1.00 0.00 C ATOM 861 CG LYS A 58 18.395 -13.812 6.689 1.00 0.00 C ATOM 862 CD LYS A 58 17.555 -14.843 5.951 1.00 0.00 C ATOM 863 CE LYS A 58 18.430 -15.873 5.251 1.00 0.00 C ATOM 864 NZ LYS A 58 17.622 -16.883 4.516 1.00 0.00 N ATOM 0 H LYS A 58 16.063 -11.142 8.504 1.00 0.00 H new ATOM 0 HA LYS A 58 15.948 -13.916 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.889 -12.305 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 58 18.169 -11.897 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 58 19.124 -13.377 6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.956 -14.300 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.891 -15.345 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.922 -14.342 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.099 -15.367 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.057 -16.376 5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.256 -17.565 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.002 -17.384 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.042 -16.407 3.796 1.00 0.00 H new ATOM 878 N ASP A 59 17.884 -12.946 10.516 1.00 0.00 N ATOM 879 CA ASP A 59 18.699 -13.411 11.633 1.00 0.00 C ATOM 880 C ASP A 59 17.844 -14.140 12.663 1.00 0.00 C ATOM 881 O ASP A 59 18.363 -14.757 13.591 1.00 0.00 O ATOM 882 CB ASP A 59 19.431 -12.237 12.289 1.00 0.00 C ATOM 883 CG ASP A 59 20.570 -11.660 11.458 1.00 0.00 C ATOM 884 OD1 ASP A 59 20.983 -12.306 10.524 1.00 0.00 O ATOM 885 OD2 ASP A 59 20.910 -10.520 11.663 1.00 0.00 O ATOM 0 H ASP A 59 17.648 -11.954 10.550 1.00 0.00 H new ATOM 0 HA ASP A 59 19.438 -14.111 11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.711 -11.445 12.495 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.828 -12.564 13.250 1.00 0.00 H new ATOM 890 N GLY A 60 16.526 -14.063 12.493 1.00 0.00 N ATOM 891 CA GLY A 60 15.626 -14.851 13.314 1.00 0.00 C ATOM 892 C GLY A 60 15.505 -14.311 14.724 1.00 0.00 C ATOM 893 O GLY A 60 15.050 -15.012 15.628 1.00 0.00 O ATOM 0 H GLY A 60 16.067 -13.469 11.802 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.640 -14.871 12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.981 -15.881 13.352 1.00 0.00 H new ATOM 897 N SER A 61 15.913 -13.061 14.915 1.00 0.00 N ATOM 898 CA SER A 61 15.968 -12.467 16.247 1.00 0.00 C ATOM 899 C SER A 61 14.624 -11.850 16.622 1.00 0.00 C ATOM 900 O SER A 61 14.267 -11.784 17.797 1.00 0.00 O ATOM 901 CB SER A 61 17.068 -11.425 16.311 1.00 0.00 C ATOM 902 OG SER A 61 16.809 -10.335 15.469 1.00 0.00 O ATOM 0 H SER A 61 16.211 -12.439 14.164 1.00 0.00 H new ATOM 0 HA SER A 61 16.191 -13.255 16.966 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.175 -11.073 17.337 1.00 0.00 H new ATOM 0 HB3 SER A 61 18.017 -11.882 16.031 1.00 0.00 H new ATOM 0 HG SER A 61 17.540 -9.686 15.540 1.00 0.00 H new ATOM 908 N MET A 62 13.884 -11.401 15.614 1.00 0.00 N ATOM 909 CA MET A 62 12.675 -10.619 15.844 1.00 0.00 C ATOM 910 C MET A 62 11.724 -10.728 14.655 1.00 0.00 C ATOM 911 O MET A 62 12.128 -11.104 13.556 1.00 0.00 O ATOM 912 CB MET A 62 13.033 -9.157 16.106 1.00 0.00 C ATOM 913 CG MET A 62 13.712 -8.456 14.939 1.00 0.00 C ATOM 914 SD MET A 62 14.194 -6.762 15.331 1.00 0.00 S ATOM 915 CE MET A 62 12.595 -5.958 15.379 1.00 0.00 C ATOM 0 H MET A 62 14.100 -11.565 14.631 1.00 0.00 H new ATOM 0 HA MET A 62 12.169 -11.020 16.722 1.00 0.00 H new ATOM 0 HB2 MET A 62 12.123 -8.613 16.361 1.00 0.00 H new ATOM 0 HB3 MET A 62 13.689 -9.107 16.975 1.00 0.00 H new ATOM 0 HG2 MET A 62 14.596 -9.022 14.645 1.00 0.00 H new ATOM 0 HG3 MET A 62 13.038 -8.449 14.082 1.00 0.00 H new ATOM 0 HE1 MET A 62 12.631 -5.040 14.792 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.840 -6.625 14.963 1.00 0.00 H new ATOM 0 HE3 MET A 62 12.339 -5.719 16.411 1.00 0.00 H new ATOM 925 N GLY A 63 10.457 -10.397 14.886 1.00 0.00 N ATOM 926 CA GLY A 63 9.501 -10.314 13.796 1.00 0.00 C ATOM 927 C GLY A 63 8.148 -9.806 14.249 1.00 0.00 C ATOM 928 O GLY A 63 7.875 -9.724 15.447 1.00 0.00 O ATOM 0 H GLY A 63 10.075 -10.185 15.808 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.893 -9.654 13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.383 -11.299 13.344 1.00 0.00 H new ATOM 932 N PHE A 64 7.295 -9.462 13.289 1.00 0.00 N ATOM 933 CA PHE A 64 5.999 -8.867 13.595 1.00 0.00 C ATOM 934 C PHE A 64 4.887 -9.550 12.802 1.00 0.00 C ATOM 935 O PHE A 64 5.086 -9.955 11.656 1.00 0.00 O ATOM 936 CB PHE A 64 6.015 -7.367 13.299 1.00 0.00 C ATOM 937 CG PHE A 64 7.019 -6.599 14.112 1.00 0.00 C ATOM 938 CD1 PHE A 64 6.718 -6.188 15.402 1.00 0.00 C ATOM 939 CD2 PHE A 64 8.265 -6.288 13.590 1.00 0.00 C ATOM 940 CE1 PHE A 64 7.640 -5.481 16.151 1.00 0.00 C ATOM 941 CE2 PHE A 64 9.188 -5.583 14.337 1.00 0.00 C ATOM 942 CZ PHE A 64 8.875 -5.179 15.618 1.00 0.00 C ATOM 0 H PHE A 64 7.478 -9.585 12.293 1.00 0.00 H new ATOM 0 HA PHE A 64 5.802 -9.012 14.657 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.228 -7.217 12.240 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.022 -6.959 13.485 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.753 -6.423 15.826 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.517 -6.601 12.587 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.393 -5.165 17.154 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.155 -5.348 13.918 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.596 -4.627 16.203 1.00 0.00 H new ATOM 952 N ASP A 65 3.719 -9.675 13.422 1.00 0.00 N ATOM 953 CA ASP A 65 2.517 -10.094 12.710 1.00 0.00 C ATOM 954 C ASP A 65 1.549 -8.926 12.544 1.00 0.00 C ATOM 955 O ASP A 65 1.036 -8.387 13.525 1.00 0.00 O ATOM 956 CB ASP A 65 1.832 -11.248 13.445 1.00 0.00 C ATOM 957 CG ASP A 65 0.591 -11.790 12.746 1.00 0.00 C ATOM 958 OD1 ASP A 65 0.209 -11.235 11.743 1.00 0.00 O ATOM 959 OD2 ASP A 65 0.131 -12.840 13.126 1.00 0.00 O ATOM 0 H ASP A 65 3.579 -9.492 14.416 1.00 0.00 H new ATOM 0 HA ASP A 65 2.814 -10.438 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.548 -12.060 13.569 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.554 -10.913 14.444 1.00 0.00 H new ATOM 964 N PHE A 66 1.306 -8.539 11.296 1.00 0.00 N ATOM 965 CA PHE A 66 0.472 -7.377 11.006 1.00 0.00 C ATOM 966 C PHE A 66 -0.850 -7.802 10.372 1.00 0.00 C ATOM 967 O PHE A 66 -0.891 -8.715 9.549 1.00 0.00 O ATOM 968 CB PHE A 66 1.211 -6.404 10.085 1.00 0.00 C ATOM 969 CG PHE A 66 2.362 -5.701 10.745 1.00 0.00 C ATOM 970 CD1 PHE A 66 2.363 -5.477 12.115 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.445 -5.260 10.000 1.00 0.00 C ATOM 972 CE1 PHE A 66 3.422 -4.829 12.723 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.505 -4.615 10.606 1.00 0.00 C ATOM 974 CZ PHE A 66 4.493 -4.399 11.970 1.00 0.00 C ATOM 0 H PHE A 66 1.674 -9.012 10.470 1.00 0.00 H new ATOM 0 HA PHE A 66 0.255 -6.872 11.948 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.580 -6.950 9.217 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.505 -5.659 9.717 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.528 -5.812 12.712 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.460 -5.423 8.932 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.410 -4.660 13.790 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.343 -4.280 10.013 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.321 -3.894 12.445 1.00 0.00 H new ATOM 984 N ALA A 67 -1.929 -7.133 10.764 1.00 0.00 N ATOM 985 CA ALA A 67 -3.260 -7.484 10.287 1.00 0.00 C ATOM 986 C ALA A 67 -4.089 -6.235 10.006 1.00 0.00 C ATOM 987 O ALA A 67 -3.925 -5.209 10.663 1.00 0.00 O ATOM 988 CB ALA A 67 -3.968 -8.372 11.301 1.00 0.00 C ATOM 0 H ALA A 67 -1.907 -6.345 11.411 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.150 -8.034 9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.961 -8.626 10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.392 -9.285 11.450 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.059 -7.841 12.249 1.00 0.00 H new ATOM 994 N GLY A 68 -4.979 -6.329 9.021 1.00 0.00 N ATOM 995 CA GLY A 68 -5.896 -5.240 8.743 1.00 0.00 C ATOM 996 C GLY A 68 -7.128 -5.698 7.989 1.00 0.00 C ATOM 997 O GLY A 68 -7.188 -6.831 7.509 1.00 0.00 O ATOM 0 H GLY A 68 -5.080 -7.140 8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.200 -4.776 9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.381 -4.475 8.161 1.00 0.00 H new ATOM 1001 N THR A 69 -8.118 -4.816 7.885 1.00 0.00 N ATOM 1002 CA THR A 69 -9.358 -5.139 7.190 1.00 0.00 C ATOM 1003 C THR A 69 -9.760 -4.019 6.237 1.00 0.00 C ATOM 1004 O THR A 69 -9.486 -2.847 6.490 1.00 0.00 O ATOM 1005 CB THR A 69 -10.510 -5.398 8.178 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.737 -4.224 8.969 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.175 -6.565 9.094 1.00 0.00 C ATOM 0 H THR A 69 -8.085 -3.873 8.273 1.00 0.00 H new ATOM 0 HA THR A 69 -9.172 -6.049 6.620 1.00 0.00 H new ATOM 0 HB THR A 69 -11.408 -5.642 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.472 -4.389 9.596 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.001 -6.733 9.785 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.014 -7.462 8.496 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.270 -6.337 9.658 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.413 -4.388 5.140 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.927 -3.409 4.190 1.00 0.00 C ATOM 1017 C TYR A 70 -12.277 -2.865 4.646 1.00 0.00 C ATOM 1018 O TYR A 70 -13.097 -3.593 5.207 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.059 -4.035 2.801 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.731 -4.357 2.152 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.857 -3.345 1.776 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.353 -5.672 1.918 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.643 -3.634 1.182 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.140 -5.972 1.326 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.289 -4.949 0.960 1.00 0.00 C ATOM 1026 OH TYR A 70 -6.081 -5.242 0.370 1.00 0.00 O ATOM 0 H TYR A 70 -10.599 -5.359 4.887 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.220 -2.581 4.142 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.647 -4.949 2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.613 -3.353 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.131 -2.315 1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.017 -6.474 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.976 -2.835 0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.860 -7.000 1.151 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.484 -5.651 1.031 1.00 0.00 H new ATOM 1036 N THR A 71 -12.503 -1.578 4.401 1.00 0.00 N ATOM 1037 CA THR A 71 -13.741 -0.928 4.810 1.00 0.00 C ATOM 1038 C THR A 71 -14.572 -0.515 3.600 1.00 0.00 C ATOM 1039 O THR A 71 -15.802 -0.555 3.635 1.00 0.00 O ATOM 1040 CB THR A 71 -13.467 0.313 5.679 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.762 1.294 4.907 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.636 -0.062 6.897 1.00 0.00 C ATOM 0 H THR A 71 -11.844 -0.965 3.921 1.00 0.00 H new ATOM 0 HA THR A 71 -14.299 -1.656 5.399 1.00 0.00 H new ATOM 0 HB THR A 71 -14.420 0.721 6.014 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.955 2.188 5.259 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.452 0.827 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.175 -0.799 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.685 -0.484 6.573 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.893 -0.122 2.528 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.563 0.453 1.367 1.00 0.00 C ATOM 1052 C LYS A 72 -13.775 0.171 0.090 1.00 0.00 C ATOM 1053 O LYS A 72 -12.556 0.342 0.051 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.752 1.960 1.548 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.604 2.621 0.473 1.00 0.00 C ATOM 1056 CD LYS A 72 -15.900 4.074 0.815 1.00 0.00 C ATOM 1057 CE LYS A 72 -16.857 4.696 -0.190 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.213 6.095 0.173 1.00 0.00 N ATOM 0 H LYS A 72 -12.879 -0.191 2.439 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.543 -0.015 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.210 2.142 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.772 2.438 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.088 2.569 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.540 2.074 0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.330 4.134 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.970 4.642 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.402 4.683 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.764 4.094 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.867 6.482 -0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.670 6.106 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.351 6.676 0.203 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.480 -0.260 -0.951 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.887 -0.380 -2.278 1.00 0.00 C ATOM 1074 C VAL A 73 -14.848 0.112 -3.354 1.00 0.00 C ATOM 1075 O VAL A 73 -15.988 -0.345 -3.441 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.486 -1.835 -2.588 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.856 -1.930 -3.969 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.527 -2.359 -1.530 1.00 0.00 C ATOM 0 H VAL A 73 -15.462 -0.532 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.992 0.242 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.385 -2.451 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.579 -2.964 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.571 -1.592 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.966 -1.302 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.254 -3.388 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.630 -1.740 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.009 -2.325 -0.553 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.379 1.046 -4.175 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.228 1.681 -5.177 1.00 0.00 C ATOM 1090 C VAL A 74 -14.546 1.701 -6.540 1.00 0.00 C ATOM 1091 O VAL A 74 -13.425 2.190 -6.676 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.598 3.120 -4.775 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.443 3.775 -5.858 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.337 3.130 -3.446 1.00 0.00 C ATOM 0 H VAL A 74 -13.415 1.380 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.141 1.088 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.677 3.692 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.696 4.792 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.881 3.802 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.359 3.201 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.590 4.156 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.250 2.542 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.701 2.700 -2.673 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.231 1.170 -7.547 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.778 1.291 -8.928 1.00 0.00 C ATOM 1106 C GLU A 75 -13.301 0.930 -9.049 1.00 0.00 C ATOM 1107 O GLU A 75 -12.581 1.487 -9.877 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.020 2.709 -9.450 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.488 3.106 -9.534 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.644 4.516 -10.033 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.649 5.165 -10.244 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.754 4.908 -10.308 1.00 0.00 O ATOM 0 H GLU A 75 -16.102 0.652 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.354 0.592 -9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.502 3.415 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.574 2.800 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.015 2.422 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.949 3.013 -8.551 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.857 -0.008 -8.218 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.444 -0.367 -8.156 1.00 0.00 C ATOM 1121 C ASN A 76 -10.564 0.878 -8.193 1.00 0.00 C ATOM 1122 O ASN A 76 -9.541 0.908 -8.878 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.062 -1.316 -9.277 1.00 0.00 C ATOM 1124 CG ASN A 76 -11.847 -2.599 -9.278 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -11.741 -3.416 -8.356 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.570 -2.817 -10.346 1.00 0.00 N ATOM 0 H ASN A 76 -13.454 -0.533 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.280 -0.881 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.206 -0.812 -10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.000 -1.550 -9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.080 -3.695 -10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.624 -2.109 -11.079 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.968 1.904 -7.451 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.481 3.258 -7.687 1.00 0.00 C ATOM 1135 C LYS A 77 -10.383 4.036 -6.379 1.00 0.00 C ATOM 1136 O LYS A 77 -9.521 4.902 -6.225 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.392 3.992 -8.672 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.946 5.410 -9.004 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.845 6.040 -10.057 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.376 7.443 -10.418 1.00 0.00 C ATOM 1141 NZ LYS A 77 -12.255 8.077 -11.438 1.00 0.00 N ATOM 0 H LYS A 77 -11.632 1.823 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.483 3.187 -8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.447 3.416 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.400 4.028 -8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.959 6.019 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.917 5.395 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.854 5.416 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.869 6.081 -9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.357 8.061 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.355 7.398 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.902 9.031 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.254 7.501 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.225 8.143 -11.068 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.270 3.722 -5.440 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.224 4.327 -4.115 1.00 0.00 C ATOM 1157 C ARG A 78 -11.374 3.266 -3.029 1.00 0.00 C ATOM 1158 O ARG A 78 -12.389 2.573 -2.959 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.250 5.440 -3.955 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.022 6.652 -4.846 1.00 0.00 C ATOM 1161 CD ARG A 78 -13.019 7.739 -4.667 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.817 8.888 -5.534 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.664 9.932 -5.629 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.786 9.960 -4.943 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -13.349 10.920 -6.449 1.00 0.00 N ATOM 0 H ARG A 78 -12.028 3.053 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.244 4.790 -4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.240 5.035 -4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.252 5.767 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.027 7.051 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.036 6.330 -5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.015 7.335 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.992 8.073 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.976 8.905 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.027 9.183 -4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.415 10.758 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.484 10.879 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.971 11.723 -6.542 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.356 3.146 -2.183 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.240 2.003 -1.284 1.00 0.00 C ATOM 1181 C ILE A 79 -9.717 2.430 0.083 1.00 0.00 C ATOM 1182 O ILE A 79 -8.681 3.087 0.184 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.313 0.920 -1.866 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.283 -0.305 -0.947 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.911 1.472 -2.068 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.676 -1.533 -1.587 1.00 0.00 C ATOM 0 H ILE A 79 -9.600 3.826 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.241 1.586 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.703 0.614 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.719 -0.059 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.301 -0.536 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.269 0.693 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.948 2.315 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.509 1.804 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.690 -2.359 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.253 -1.806 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.647 -1.321 -1.877 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.438 2.049 1.132 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.048 2.396 2.493 1.00 0.00 C ATOM 1200 C GLU A 80 -9.906 1.145 3.354 1.00 0.00 C ATOM 1201 O GLU A 80 -10.707 0.216 3.256 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.066 3.355 3.115 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.709 3.828 4.517 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.827 4.627 5.126 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.864 4.063 5.378 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.608 5.773 5.443 1.00 0.00 O ATOM 0 H GLU A 80 -11.295 1.500 1.066 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.079 2.894 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.171 4.225 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.038 2.863 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.489 2.967 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.804 4.435 4.479 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.880 1.129 4.199 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.594 -0.034 5.032 1.00 0.00 C ATOM 1215 C TYR A 81 -7.973 0.389 6.360 1.00 0.00 C ATOM 1216 O TYR A 81 -7.461 1.499 6.493 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.665 -1.003 4.298 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.353 -0.387 3.867 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.226 0.220 2.625 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.244 -0.414 4.700 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -5.032 0.785 2.225 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.044 0.148 4.310 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.941 0.747 3.071 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.748 1.307 2.677 1.00 0.00 O ATOM 0 H TYR A 81 -8.233 1.908 4.325 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.536 -0.542 5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.459 -1.855 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.180 -1.389 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.076 0.251 1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.320 -0.882 5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.951 1.254 1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.191 0.119 4.971 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.702 1.324 1.698 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.022 -0.509 7.339 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.436 -0.243 8.648 1.00 0.00 C ATOM 1236 C ALA A 82 -6.297 -1.214 8.945 1.00 0.00 C ATOM 1237 O ALA A 82 -6.438 -2.424 8.773 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.502 -0.329 9.731 1.00 0.00 C ATOM 0 H ALA A 82 -8.461 -1.426 7.251 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.026 0.767 8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.051 -0.128 10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.281 0.407 9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.939 -1.328 9.733 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.169 -0.673 9.392 1.00 0.00 N ATOM 1245 CA PHE A 83 -3.945 -1.456 9.519 1.00 0.00 C ATOM 1246 C PHE A 83 -3.430 -1.433 10.955 1.00 0.00 C ATOM 1247 O PHE A 83 -2.846 -0.447 11.401 1.00 0.00 O ATOM 1248 CB PHE A 83 -2.871 -0.932 8.564 1.00 0.00 C ATOM 1249 CG PHE A 83 -1.590 -1.718 8.601 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.468 -2.905 7.895 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -0.508 -1.272 9.342 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -0.291 -3.629 7.928 1.00 0.00 C ATOM 1253 CE2 PHE A 83 0.671 -1.993 9.376 1.00 0.00 C ATOM 1254 CZ PHE A 83 0.778 -3.173 8.668 1.00 0.00 C ATOM 0 H PHE A 83 -5.077 0.303 9.672 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.176 -2.488 9.254 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.265 -0.944 7.548 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.656 0.108 8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.302 -3.268 7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.586 -0.350 9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.209 -4.552 7.374 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.508 -1.633 9.956 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.698 -3.738 8.694 1.00 0.00 H new ATOM 1264 N GLY A 84 -3.655 -2.529 11.675 1.00 0.00 N ATOM 1265 CA GLY A 84 -3.314 -2.570 13.085 1.00 0.00 C ATOM 1266 C GLY A 84 -4.159 -1.624 13.915 1.00 0.00 C ATOM 1267 O GLY A 84 -5.384 -1.738 13.942 1.00 0.00 O ATOM 0 H GLY A 84 -4.066 -3.387 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.441 -3.587 13.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.261 -2.315 13.208 1.00 0.00 H new ATOM 1271 N ASP A 85 -3.503 -0.689 14.593 1.00 0.00 N ATOM 1272 CA ASP A 85 -4.206 0.355 15.329 1.00 0.00 C ATOM 1273 C ASP A 85 -4.220 1.661 14.540 1.00 0.00 C ATOM 1274 O ASP A 85 -4.529 2.722 15.082 1.00 0.00 O ATOM 1275 CB ASP A 85 -3.562 0.572 16.701 1.00 0.00 C ATOM 1276 CG ASP A 85 -2.108 1.023 16.648 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -1.565 1.086 15.571 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -1.603 1.449 17.660 1.00 0.00 O ATOM 0 H ASP A 85 -2.486 -0.633 14.648 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.236 0.030 15.474 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.141 1.316 17.247 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.621 -0.357 17.268 1.00 0.00 H new ATOM 1283 N ARG A 86 -3.884 1.575 13.258 1.00 0.00 N ATOM 1284 CA ARG A 86 -3.859 2.749 12.394 1.00 0.00 C ATOM 1285 C ARG A 86 -4.828 2.586 11.226 1.00 0.00 C ATOM 1286 O ARG A 86 -5.320 1.489 10.962 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.454 3.080 11.913 1.00 0.00 C ATOM 1288 CG ARG A 86 -1.478 3.474 13.011 1.00 0.00 C ATOM 1289 CD ARG A 86 -0.113 3.802 12.527 1.00 0.00 C ATOM 1290 NE ARG A 86 0.597 2.686 11.922 1.00 0.00 N ATOM 1291 CZ ARG A 86 1.144 1.665 12.609 1.00 0.00 C ATOM 1292 NH1 ARG A 86 1.100 1.630 13.923 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.748 0.707 11.928 1.00 0.00 N ATOM 0 H ARG A 86 -3.625 0.704 12.794 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.191 3.598 12.991 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.054 2.215 11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.515 3.895 11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.878 4.336 13.545 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.409 2.658 13.730 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.184 4.609 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.475 4.179 13.364 1.00 0.00 H new ATOM 0 HE ARG A 86 0.687 2.676 10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.646 2.384 14.438 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.520 0.849 14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.790 0.754 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.172 -0.079 12.420 1.00 0.00 H new ATOM 1307 N THR A 87 -5.097 3.686 10.529 1.00 0.00 N ATOM 1308 CA THR A 87 -5.996 3.661 9.381 1.00 0.00 C ATOM 1309 C THR A 87 -5.349 4.309 8.163 1.00 0.00 C ATOM 1310 O THR A 87 -4.450 5.140 8.293 1.00 0.00 O ATOM 1311 CB THR A 87 -7.323 4.380 9.689 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.065 5.759 9.985 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.018 3.732 10.876 1.00 0.00 C ATOM 0 H THR A 87 -4.706 4.604 10.739 1.00 0.00 H new ATOM 0 HA THR A 87 -6.203 2.613 9.164 1.00 0.00 H new ATOM 0 HB THR A 87 -7.971 4.304 8.816 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.910 6.216 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.954 4.253 11.079 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.227 2.687 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.372 3.791 11.752 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.813 3.924 6.979 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.324 4.516 5.739 1.00 0.00 C ATOM 1323 C ALA A 88 -6.423 4.563 4.683 1.00 0.00 C ATOM 1324 O ALA A 88 -7.299 3.697 4.642 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.125 3.737 5.219 1.00 0.00 C ATOM 0 H ALA A 88 -6.526 3.206 6.852 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.015 5.539 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.771 4.190 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.328 3.758 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.417 2.704 5.029 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.373 5.580 3.828 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.324 5.704 2.730 1.00 0.00 C ATOM 1333 C LYS A 89 -6.607 6.023 1.422 1.00 0.00 C ATOM 1334 O LYS A 89 -5.827 6.972 1.346 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.364 6.782 3.039 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.461 6.917 1.992 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.506 7.940 2.412 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.592 8.089 1.358 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.653 9.042 1.782 1.00 0.00 N ATOM 0 H LYS A 89 -5.683 6.330 3.875 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.834 4.748 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.823 6.561 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.856 7.741 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.022 7.213 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.939 5.950 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.954 7.637 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.026 8.904 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.147 8.434 0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.039 7.115 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.373 9.114 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.096 8.700 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.232 9.978 1.949 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.876 5.223 0.395 1.00 0.00 N ATOM 1354 CA VAL A 90 -6.157 5.333 -0.869 1.00 0.00 C ATOM 1355 C VAL A 90 -7.102 5.686 -2.011 1.00 0.00 C ATOM 1356 O VAL A 90 -8.189 5.121 -2.126 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.416 4.027 -1.213 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.654 4.176 -2.520 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.468 3.639 -0.087 1.00 0.00 C ATOM 0 H VAL A 90 -7.587 4.492 0.414 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.426 6.132 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.154 3.234 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.136 3.244 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.352 4.409 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.926 4.982 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.953 2.714 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.736 4.433 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.035 3.492 0.832 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.681 6.624 -2.853 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.447 6.986 -4.038 1.00 0.00 C ATOM 1371 C GLU A 91 -6.593 6.865 -5.297 1.00 0.00 C ATOM 1372 O GLU A 91 -5.392 7.137 -5.274 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.999 8.407 -3.908 1.00 0.00 C ATOM 1374 CG GLU A 91 -9.002 8.590 -2.777 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.549 9.991 -2.754 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -9.139 10.782 -3.568 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.456 10.240 -1.995 1.00 0.00 O ATOM 0 H GLU A 91 -5.813 7.147 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.283 6.292 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.167 9.094 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.475 8.687 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.820 7.880 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.523 8.369 -1.823 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.221 6.458 -6.395 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.521 6.312 -7.667 1.00 0.00 C ATOM 1386 C PHE A 92 -7.102 7.254 -8.717 1.00 0.00 C ATOM 1387 O PHE A 92 -8.302 7.233 -8.991 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.594 4.865 -8.157 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.924 3.881 -7.240 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.582 3.398 -6.118 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.635 3.438 -7.496 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.967 2.493 -5.273 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -4.019 2.532 -6.654 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.686 2.059 -5.541 1.00 0.00 C ATOM 0 H PHE A 92 -8.213 6.223 -6.430 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.475 6.575 -7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.640 4.583 -8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.133 4.801 -9.143 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.586 3.733 -5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.107 3.805 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.490 2.126 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.016 2.194 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.205 1.351 -4.882 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.242 8.080 -9.303 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.679 9.078 -10.273 1.00 0.00 C ATOM 1406 C LEU A 93 -6.116 8.774 -11.658 1.00 0.00 C ATOM 1407 O LEU A 93 -4.908 8.607 -11.824 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.256 10.480 -9.817 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.577 11.611 -10.804 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -8.085 11.774 -10.937 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.934 12.903 -10.323 1.00 0.00 C ATOM 0 H LEU A 93 -5.238 8.078 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.767 9.043 -10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.744 10.699 -8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.182 10.476 -9.630 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.173 11.364 -11.786 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.303 12.579 -11.639 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.521 10.844 -11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.512 12.016 -9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.162 13.706 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.325 13.159 -9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.854 12.771 -10.262 1.00 0.00 H new ATOM 1423 N GLU A 94 -7.001 8.707 -12.649 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.585 8.491 -14.029 1.00 0.00 C ATOM 1425 C GLU A 94 -6.065 9.783 -14.651 1.00 0.00 C ATOM 1426 O GLU A 94 -6.797 10.766 -14.768 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.745 7.936 -14.859 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.382 7.588 -16.296 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.566 7.042 -17.042 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.617 6.939 -16.457 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.451 6.833 -18.227 1.00 0.00 O ATOM 0 H GLU A 94 -8.009 8.799 -12.521 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.775 7.762 -14.025 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.132 7.043 -14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.552 8.669 -14.868 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.008 8.477 -16.804 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.576 6.854 -16.302 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.796 9.774 -15.045 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.197 10.920 -15.720 1.00 0.00 C ATOM 1440 C ALA A 95 -3.943 10.616 -17.194 1.00 0.00 C ATOM 1441 O ALA A 95 -3.898 9.460 -17.615 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.903 11.323 -15.031 1.00 0.00 C ATOM 0 H ALA A 95 -4.163 8.986 -14.909 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.899 11.752 -15.662 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.468 12.179 -15.546 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.110 11.590 -13.995 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.202 10.489 -15.057 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.773 11.676 -17.997 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.484 11.546 -19.428 1.00 0.00 C ATOM 1450 C PRO A 96 -2.108 10.945 -19.690 1.00 0.00 C ATOM 1451 O PRO A 96 -1.886 10.303 -20.715 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.587 12.980 -19.956 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.304 13.835 -18.768 1.00 0.00 C ATOM 1454 CD PRO A 96 -3.899 13.101 -17.597 1.00 0.00 C ATOM 0 HA PRO A 96 -4.174 10.864 -19.925 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.869 13.161 -20.756 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.577 13.183 -20.364 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.232 13.982 -18.636 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.750 14.823 -18.880 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.360 13.310 -16.673 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.939 13.383 -17.430 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.187 11.156 -18.754 1.00 0.00 N ATOM 1463 CA GLN A 97 0.187 10.699 -18.920 1.00 0.00 C ATOM 1464 C GLN A 97 0.443 9.436 -18.102 1.00 0.00 C ATOM 1465 O GLN A 97 1.470 8.778 -18.263 1.00 0.00 O ATOM 1466 CB GLN A 97 1.172 11.794 -18.503 1.00 0.00 C ATOM 1467 CG GLN A 97 1.089 13.059 -19.343 1.00 0.00 C ATOM 1468 CD GLN A 97 2.083 14.114 -18.900 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.969 13.848 -18.083 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.941 15.321 -19.435 1.00 0.00 N ATOM 0 H GLN A 97 -1.368 11.640 -17.874 1.00 0.00 H new ATOM 0 HA GLN A 97 0.337 10.469 -19.975 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.991 12.052 -17.459 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.186 11.397 -18.563 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.270 12.810 -20.389 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.080 13.466 -19.282 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.194 15.496 -20.107 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.579 16.073 -19.174 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.499 9.105 -17.224 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.323 7.967 -16.343 1.00 0.00 C ATOM 1481 C GLY A 98 -1.448 7.833 -15.334 1.00 0.00 C ATOM 1482 O GLY A 98 -2.498 8.461 -15.478 1.00 0.00 O ATOM 0 H GLY A 98 -1.380 9.605 -17.108 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.264 7.056 -16.939 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.625 8.064 -15.814 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.232 7.010 -14.314 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.171 6.909 -13.203 1.00 0.00 C ATOM 1488 C VAL A 99 -1.521 7.337 -11.892 1.00 0.00 C ATOM 1489 O VAL A 99 -0.445 6.857 -11.532 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.714 5.476 -13.051 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.587 5.366 -11.810 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.497 5.068 -14.289 1.00 0.00 C ATOM 0 H VAL A 99 -0.416 6.404 -14.233 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.000 7.579 -13.430 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.868 4.798 -12.939 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.962 4.347 -11.718 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.998 5.617 -10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.427 6.056 -11.894 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.873 4.053 -14.163 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.335 5.750 -14.431 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.845 5.108 -15.162 1.00 0.00 H new ATOM 1502 N THR A 100 -2.180 8.247 -11.181 1.00 0.00 N ATOM 1503 CA THR A 100 -1.627 8.804 -9.953 1.00 0.00 C ATOM 1504 C THR A 100 -2.231 8.134 -8.724 1.00 0.00 C ATOM 1505 O THR A 100 -3.451 8.030 -8.598 1.00 0.00 O ATOM 1506 CB THR A 100 -1.863 10.323 -9.866 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.181 10.978 -10.943 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.350 10.867 -8.541 1.00 0.00 C ATOM 0 H THR A 100 -3.097 8.614 -11.435 1.00 0.00 H new ATOM 0 HA THR A 100 -0.554 8.614 -9.976 1.00 0.00 H new ATOM 0 HB THR A 100 -2.934 10.514 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.213 10.929 -10.795 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.525 11.942 -8.497 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.875 10.380 -7.720 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.281 10.670 -8.456 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.370 7.680 -7.820 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.818 6.991 -6.615 1.00 0.00 C ATOM 1518 C VAL A 101 -1.626 7.863 -5.380 1.00 0.00 C ATOM 1519 O VAL A 101 -0.505 8.250 -5.048 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.071 5.660 -6.414 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.582 4.944 -5.172 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.224 4.771 -7.639 1.00 0.00 C ATOM 0 H VAL A 101 -0.358 7.777 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.880 6.783 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.012 5.879 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.043 4.005 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.423 5.575 -4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.647 4.739 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.689 3.835 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.280 4.561 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.812 5.279 -8.511 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.727 8.166 -4.700 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.686 9.025 -3.522 1.00 0.00 C ATOM 1534 C ARG A 102 -3.015 8.234 -2.261 1.00 0.00 C ATOM 1535 O ARG A 102 -4.089 7.640 -2.150 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.583 10.245 -3.668 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.661 11.132 -2.435 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.540 12.319 -2.590 1.00 0.00 C ATOM 1539 NE ARG A 102 -4.083 13.283 -3.579 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.805 14.334 -4.014 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -6.030 14.540 -3.581 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -4.258 15.140 -4.906 1.00 0.00 N ATOM 0 H ARG A 102 -3.658 7.830 -4.944 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.666 9.399 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.225 10.843 -4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.589 9.910 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.019 10.536 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.656 11.469 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.539 11.982 -2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.626 12.820 -1.626 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.150 13.154 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.447 13.899 -2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.563 15.341 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.314 14.958 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.780 15.944 -5.254 1.00 0.00 H new ATOM 1556 N VAL A 103 -2.086 8.229 -1.311 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.261 7.480 -0.073 1.00 0.00 C ATOM 1558 C VAL A 103 -2.188 8.399 1.142 1.00 0.00 C ATOM 1559 O VAL A 103 -1.212 9.127 1.323 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.202 6.370 0.069 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.415 5.594 1.361 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.248 5.432 -1.126 1.00 0.00 C ATOM 0 H VAL A 103 -1.203 8.736 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.249 7.022 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.218 6.837 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.659 4.814 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.333 6.272 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.406 5.140 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.493 4.655 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.234 4.973 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.050 5.995 -2.038 1.00 0.00 H new ATOM 1572 N SER A 104 -3.226 8.359 1.970 1.00 0.00 N ATOM 1573 CA SER A 104 -3.189 9.012 3.273 1.00 0.00 C ATOM 1574 C SER A 104 -3.275 7.985 4.398 1.00 0.00 C ATOM 1575 O SER A 104 -4.161 7.130 4.409 1.00 0.00 O ATOM 1576 CB SER A 104 -4.318 10.018 3.387 1.00 0.00 C ATOM 1577 OG SER A 104 -4.154 11.094 2.504 1.00 0.00 O ATOM 0 H SER A 104 -4.103 7.881 1.762 1.00 0.00 H new ATOM 0 HA SER A 104 -2.239 9.538 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.267 9.523 3.182 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.368 10.392 4.409 1.00 0.00 H new ATOM 0 HG SER A 104 -4.902 11.719 2.607 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.345 8.073 5.344 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.260 7.101 6.427 1.00 0.00 C ATOM 1585 C PHE A 105 -1.875 7.779 7.739 1.00 0.00 C ATOM 1586 O PHE A 105 -1.249 8.839 7.742 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.253 6.002 6.084 1.00 0.00 C ATOM 1588 CG PHE A 105 0.158 6.497 5.937 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.604 7.013 4.729 1.00 0.00 C ATOM 1590 CD2 PHE A 105 1.040 6.449 7.005 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.902 7.469 4.592 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.338 6.904 6.871 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.769 7.414 5.665 1.00 0.00 C ATOM 0 H PHE A 105 -1.639 8.809 5.382 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.244 6.648 6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.282 5.240 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.558 5.520 5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.070 7.059 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.709 6.051 7.953 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.238 7.868 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.015 6.860 7.711 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.783 7.770 5.560 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.255 7.161 8.852 1.00 0.00 N ATOM 1604 CA VAL A 106 -1.935 7.696 10.171 1.00 0.00 C ATOM 1605 C VAL A 106 -0.473 7.450 10.526 1.00 0.00 C ATOM 1606 O VAL A 106 0.037 6.342 10.358 1.00 0.00 O ATOM 1607 CB VAL A 106 -2.830 7.080 11.263 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.400 7.565 12.639 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.290 7.422 11.010 1.00 0.00 C ATOM 0 H VAL A 106 -2.785 6.290 8.867 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.119 8.770 10.127 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.719 5.996 11.229 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.043 7.120 13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.366 7.272 12.821 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.483 8.651 12.684 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.908 6.979 11.791 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.417 8.505 11.018 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.593 7.028 10.040 1.00 0.00 H new ATOM 1619 N ALA A 107 0.194 8.488 11.017 1.00 0.00 N ATOM 1620 CA ALA A 107 1.575 8.366 11.464 1.00 0.00 C ATOM 1621 C ALA A 107 1.661 7.595 12.777 1.00 0.00 C ATOM 1622 O ALA A 107 0.851 7.798 13.680 1.00 0.00 O ATOM 1623 CB ALA A 107 2.205 9.743 11.615 1.00 0.00 C ATOM 0 H ALA A 107 -0.200 9.424 11.115 1.00 0.00 H new ATOM 0 HA ALA A 107 2.127 7.807 10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.237 9.636 11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.186 10.259 10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.644 10.321 12.349 1.00 0.00 H new ATOM 1629 N GLU A 108 2.651 6.711 12.875 1.00 0.00 N ATOM 1630 CA GLU A 108 2.862 5.935 14.090 1.00 0.00 C ATOM 1631 C GLU A 108 3.669 6.732 15.111 1.00 0.00 C ATOM 1632 O GLU A 108 4.752 7.234 14.808 1.00 0.00 O ATOM 1633 CB GLU A 108 3.568 4.616 13.768 1.00 0.00 C ATOM 1634 CG GLU A 108 3.751 3.693 14.965 1.00 0.00 C ATOM 1635 CD GLU A 108 4.364 2.383 14.555 1.00 0.00 C ATOM 1636 OE1 GLU A 108 4.649 2.219 13.393 1.00 0.00 O ATOM 1637 OE2 GLU A 108 4.652 1.588 15.419 1.00 0.00 O ATOM 0 H GLU A 108 3.318 6.516 12.128 1.00 0.00 H new ATOM 0 HA GLU A 108 1.887 5.712 14.523 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.998 4.090 13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.547 4.836 13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.386 4.178 15.707 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.786 3.513 15.439 1.00 0.00 H new ATOM 1644 N THR A 109 3.135 6.844 16.323 1.00 0.00 N ATOM 1645 CA THR A 109 3.732 7.692 17.346 1.00 0.00 C ATOM 1646 C THR A 109 5.108 7.176 17.753 1.00 0.00 C ATOM 1647 O THR A 109 5.941 7.931 18.252 1.00 0.00 O ATOM 1648 CB THR A 109 2.839 7.786 18.597 1.00 0.00 C ATOM 1649 OG1 THR A 109 2.656 6.479 19.156 1.00 0.00 O ATOM 1650 CG2 THR A 109 1.483 8.376 18.240 1.00 0.00 C ATOM 0 H THR A 109 2.289 6.357 16.620 1.00 0.00 H new ATOM 0 HA THR A 109 3.833 8.686 16.910 1.00 0.00 H new ATOM 0 HB THR A 109 3.326 8.435 19.325 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.089 6.541 19.953 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.865 8.435 19.136 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.619 9.375 17.826 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.993 7.741 17.502 1.00 0.00 H new ATOM 1658 N GLU A 110 5.339 5.885 17.536 1.00 0.00 N ATOM 1659 CA GLU A 110 6.594 5.257 17.929 1.00 0.00 C ATOM 1660 C GLU A 110 7.727 5.674 16.996 1.00 0.00 C ATOM 1661 O GLU A 110 8.903 5.507 17.316 1.00 0.00 O ATOM 1662 CB GLU A 110 6.454 3.734 17.941 1.00 0.00 C ATOM 1663 CG GLU A 110 5.531 3.195 19.026 1.00 0.00 C ATOM 1664 CD GLU A 110 5.406 1.699 18.944 1.00 0.00 C ATOM 1665 OE1 GLU A 110 6.015 1.118 18.077 1.00 0.00 O ATOM 1666 OE2 GLU A 110 4.793 1.126 19.812 1.00 0.00 O ATOM 0 H GLU A 110 4.673 5.254 17.090 1.00 0.00 H new ATOM 0 HA GLU A 110 6.837 5.594 18.937 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.082 3.408 16.970 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.442 3.292 18.069 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.915 3.477 20.006 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.546 3.650 18.927 1.00 0.00 H new ATOM 1673 N TYR A 111 7.363 6.219 15.840 1.00 0.00 N ATOM 1674 CA TYR A 111 8.346 6.638 14.849 1.00 0.00 C ATOM 1675 C TYR A 111 8.095 8.075 14.405 1.00 0.00 C ATOM 1676 O TYR A 111 6.966 8.566 14.416 1.00 0.00 O ATOM 1677 CB TYR A 111 8.322 5.700 13.640 1.00 0.00 C ATOM 1678 CG TYR A 111 8.771 4.289 13.948 1.00 0.00 C ATOM 1679 CD1 TYR A 111 7.860 3.324 14.352 1.00 0.00 C ATOM 1680 CD2 TYR A 111 10.104 3.926 13.832 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.265 2.035 14.636 1.00 0.00 C ATOM 1682 CE2 TYR A 111 10.520 2.640 14.112 1.00 0.00 C ATOM 1683 CZ TYR A 111 9.598 1.695 14.514 1.00 0.00 C ATOM 1684 OH TYR A 111 10.007 0.412 14.794 1.00 0.00 O ATOM 0 H TYR A 111 6.394 6.381 15.567 1.00 0.00 H new ATOM 0 HA TYR A 111 9.332 6.590 15.312 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.310 5.669 13.237 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.962 6.112 12.860 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.816 3.585 14.446 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.829 4.662 13.517 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.543 1.296 14.952 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.563 2.374 14.017 1.00 0.00 H new ATOM 0 HH TYR A 111 10.975 0.340 14.657 1.00 0.00 H new ATOM 1694 N PRO A 112 9.172 8.766 14.005 1.00 0.00 N ATOM 1695 CA PRO A 112 9.086 10.134 13.483 1.00 0.00 C ATOM 1696 C PRO A 112 8.122 10.246 12.306 1.00 0.00 C ATOM 1697 O PRO A 112 8.028 9.338 11.480 1.00 0.00 O ATOM 1698 CB PRO A 112 10.524 10.464 13.072 1.00 0.00 C ATOM 1699 CG PRO A 112 11.366 9.566 13.913 1.00 0.00 C ATOM 1700 CD PRO A 112 10.582 8.287 14.039 1.00 0.00 C ATOM 0 HA PRO A 112 8.691 10.830 14.223 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.686 10.280 12.010 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.758 11.513 13.253 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.336 9.388 13.449 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.557 10.008 14.891 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.796 7.598 13.222 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.809 7.762 14.967 1.00 0.00 H new ATOM 1708 N VAL A 113 7.407 11.365 12.237 1.00 0.00 N ATOM 1709 CA VAL A 113 6.479 11.611 11.142 1.00 0.00 C ATOM 1710 C VAL A 113 7.192 11.564 9.795 1.00 0.00 C ATOM 1711 O VAL A 113 6.700 10.958 8.843 1.00 0.00 O ATOM 1712 CB VAL A 113 5.776 12.973 11.292 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.974 13.300 10.042 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.875 12.976 12.519 1.00 0.00 C ATOM 0 H VAL A 113 7.454 12.115 12.927 1.00 0.00 H new ATOM 0 HA VAL A 113 5.730 10.820 11.181 1.00 0.00 H new ATOM 0 HB VAL A 113 6.539 13.741 11.422 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.484 14.266 10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.642 13.340 9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.220 12.529 9.881 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.386 13.946 12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.119 12.197 12.417 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.473 12.787 13.410 1.00 0.00 H new ATOM 1724 N GLU A 114 8.353 12.205 9.723 1.00 0.00 N ATOM 1725 CA GLU A 114 9.139 12.227 8.495 1.00 0.00 C ATOM 1726 C GLU A 114 9.626 10.826 8.138 1.00 0.00 C ATOM 1727 O GLU A 114 9.657 10.448 6.966 1.00 0.00 O ATOM 1728 CB GLU A 114 10.327 13.181 8.634 1.00 0.00 C ATOM 1729 CG GLU A 114 9.949 14.654 8.683 1.00 0.00 C ATOM 1730 CD GLU A 114 11.150 15.517 8.948 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.211 14.980 9.160 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.035 16.715 8.828 1.00 0.00 O ATOM 0 H GLU A 114 8.771 12.716 10.500 1.00 0.00 H new ATOM 0 HA GLU A 114 8.497 12.584 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.875 12.929 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.006 13.020 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.490 14.946 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.204 14.815 9.462 1.00 0.00 H new ATOM 1739 N GLN A 115 10.008 10.059 9.154 1.00 0.00 N ATOM 1740 CA GLN A 115 10.483 8.697 8.947 1.00 0.00 C ATOM 1741 C GLN A 115 9.371 7.811 8.397 1.00 0.00 C ATOM 1742 O GLN A 115 9.606 6.975 7.525 1.00 0.00 O ATOM 1743 CB GLN A 115 11.014 8.109 10.257 1.00 0.00 C ATOM 1744 CG GLN A 115 11.590 6.710 10.123 1.00 0.00 C ATOM 1745 CD GLN A 115 12.801 6.669 9.210 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.702 7.505 9.311 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.827 5.693 8.307 1.00 0.00 N ATOM 0 H GLN A 115 9.998 10.358 10.129 1.00 0.00 H new ATOM 0 HA GLN A 115 11.293 8.732 8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.784 8.771 10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.205 8.088 10.987 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.869 6.339 11.109 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.823 6.040 9.735 1.00 0.00 H new ATOM 0 HE21 GLN A 115 12.060 5.023 8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.614 5.615 7.663 1.00 0.00 H new ATOM 1756 N GLN A 116 8.160 7.999 8.912 1.00 0.00 N ATOM 1757 CA GLN A 116 7.001 7.254 8.434 1.00 0.00 C ATOM 1758 C GLN A 116 6.676 7.624 6.990 1.00 0.00 C ATOM 1759 O GLN A 116 6.369 6.757 6.173 1.00 0.00 O ATOM 1760 CB GLN A 116 5.785 7.520 9.325 1.00 0.00 C ATOM 1761 CG GLN A 116 5.798 6.758 10.639 1.00 0.00 C ATOM 1762 CD GLN A 116 5.811 5.254 10.436 1.00 0.00 C ATOM 1763 OE1 GLN A 116 6.779 4.575 10.790 1.00 0.00 O ATOM 1764 NE2 GLN A 116 4.737 4.726 9.861 1.00 0.00 N ATOM 0 H GLN A 116 7.956 8.661 9.661 1.00 0.00 H new ATOM 0 HA GLN A 116 7.245 6.192 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.731 8.588 9.537 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.881 7.258 8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.674 7.051 11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.922 7.035 11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.960 5.326 9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 116 4.689 3.721 9.696 1.00 0.00 H new ATOM 1773 N GLN A 117 6.745 8.916 6.685 1.00 0.00 N ATOM 1774 CA GLN A 117 6.462 9.398 5.338 1.00 0.00 C ATOM 1775 C GLN A 117 7.447 8.811 4.333 1.00 0.00 C ATOM 1776 O GLN A 117 7.048 8.279 3.296 1.00 0.00 O ATOM 1777 CB GLN A 117 6.522 10.927 5.293 1.00 0.00 C ATOM 1778 CG GLN A 117 6.247 11.519 3.921 1.00 0.00 C ATOM 1779 CD GLN A 117 6.322 13.035 3.920 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.653 13.654 4.934 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.010 13.640 2.780 1.00 0.00 N ATOM 0 H GLN A 117 6.994 9.647 7.351 1.00 0.00 H new ATOM 0 HA GLN A 117 5.457 9.074 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.798 11.329 6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.508 11.251 5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.967 11.122 3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.258 11.206 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.742 13.087 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.039 14.658 2.718 1.00 0.00 H new ATOM 1790 N GLN A 118 8.734 8.913 4.644 1.00 0.00 N ATOM 1791 CA GLN A 118 9.779 8.487 3.720 1.00 0.00 C ATOM 1792 C GLN A 118 9.798 6.967 3.583 1.00 0.00 C ATOM 1793 O GLN A 118 9.957 6.436 2.485 1.00 0.00 O ATOM 1794 CB GLN A 118 11.148 8.983 4.192 1.00 0.00 C ATOM 1795 CG GLN A 118 11.349 10.483 4.050 1.00 0.00 C ATOM 1796 CD GLN A 118 12.673 10.946 4.628 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.418 10.160 5.221 1.00 0.00 O ATOM 1798 NE2 GLN A 118 12.974 12.229 4.461 1.00 0.00 N ATOM 0 H GLN A 118 9.079 9.287 5.528 1.00 0.00 H new ATOM 0 HA GLN A 118 9.561 8.922 2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.281 8.707 5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.924 8.468 3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.301 10.755 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.534 11.005 4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.329 12.844 3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.850 12.599 4.829 1.00 0.00 H new ATOM 1807 N GLY A 119 9.637 6.275 4.705 1.00 0.00 N ATOM 1808 CA GLY A 119 9.619 4.823 4.684 1.00 0.00 C ATOM 1809 C GLY A 119 8.458 4.268 3.884 1.00 0.00 C ATOM 1810 O GLY A 119 8.624 3.326 3.110 1.00 0.00 O ATOM 0 H GLY A 119 9.519 6.692 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.555 4.457 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.563 4.449 5.706 1.00 0.00 H new ATOM 1814 N TRP A 120 7.281 4.852 4.071 1.00 0.00 N ATOM 1815 CA TRP A 120 6.107 4.474 3.291 1.00 0.00 C ATOM 1816 C TRP A 120 6.304 4.810 1.816 1.00 0.00 C ATOM 1817 O TRP A 120 5.924 4.036 0.939 1.00 0.00 O ATOM 1818 CB TRP A 120 4.859 5.174 3.829 1.00 0.00 C ATOM 1819 CG TRP A 120 3.596 4.762 3.136 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.995 5.399 2.090 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.780 3.624 3.436 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.854 4.729 1.722 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.702 3.633 2.533 1.00 0.00 C ATOM 1824 CE3 TRP A 120 2.859 2.596 4.384 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 0.712 2.662 2.548 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 1.867 1.622 4.397 1.00 0.00 C ATOM 1827 CH2 TRP A 120 0.826 1.654 3.504 1.00 0.00 C ATOM 0 H TRP A 120 7.113 5.589 4.756 1.00 0.00 H new ATOM 0 HA TRP A 120 5.972 3.396 3.383 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.765 4.963 4.894 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.985 6.252 3.727 1.00 0.00 H new ATOM 0 HD1 TRP A 120 3.363 6.299 1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 120 1.223 5.002 0.969 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.675 2.561 5.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -0.111 2.686 1.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 1.917 0.825 5.124 1.00 0.00 H new ATOM 0 HH2 TRP A 120 0.076 0.878 3.543 1.00 0.00 H new ATOM 1838 N GLN A 121 6.901 5.969 1.551 1.00 0.00 N ATOM 1839 CA GLN A 121 7.161 6.397 0.182 1.00 0.00 C ATOM 1840 C GLN A 121 8.130 5.445 -0.511 1.00 0.00 C ATOM 1841 O GLN A 121 8.020 5.199 -1.711 1.00 0.00 O ATOM 1842 CB GLN A 121 7.727 7.820 0.163 1.00 0.00 C ATOM 1843 CG GLN A 121 7.987 8.367 -1.230 1.00 0.00 C ATOM 1844 CD GLN A 121 6.727 8.430 -2.072 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.695 8.946 -1.633 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.801 7.899 -3.287 1.00 0.00 N ATOM 0 H GLN A 121 7.213 6.627 2.266 1.00 0.00 H new ATOM 0 HA GLN A 121 6.215 6.384 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.031 8.483 0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.659 7.836 0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.418 9.365 -1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.725 7.740 -1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.675 7.483 -3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.984 7.907 -3.898 1.00 0.00 H new ATOM 1855 N ALA A 122 9.079 4.914 0.253 1.00 0.00 N ATOM 1856 CA ALA A 122 10.013 3.925 -0.268 1.00 0.00 C ATOM 1857 C ALA A 122 9.280 2.687 -0.773 1.00 0.00 C ATOM 1858 O ALA A 122 9.674 2.085 -1.772 1.00 0.00 O ATOM 1859 CB ALA A 122 11.025 3.539 0.802 1.00 0.00 C ATOM 0 H ALA A 122 9.221 5.153 1.235 1.00 0.00 H new ATOM 0 HA ALA A 122 10.541 4.372 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.717 2.799 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.581 4.424 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.503 3.117 1.661 1.00 0.00 H new ATOM 1865 N ILE A 123 8.210 2.315 -0.078 1.00 0.00 N ATOM 1866 CA ILE A 123 7.361 1.215 -0.517 1.00 0.00 C ATOM 1867 C ILE A 123 6.642 1.560 -1.817 1.00 0.00 C ATOM 1868 O ILE A 123 6.583 0.748 -2.742 1.00 0.00 O ATOM 1869 CB ILE A 123 6.318 0.845 0.553 1.00 0.00 C ATOM 1870 CG1 ILE A 123 7.006 0.263 1.791 1.00 0.00 C ATOM 1871 CG2 ILE A 123 5.304 -0.141 -0.008 1.00 0.00 C ATOM 1872 CD1 ILE A 123 6.097 0.131 2.991 1.00 0.00 C ATOM 0 H ILE A 123 7.911 2.759 0.790 1.00 0.00 H new ATOM 0 HA ILE A 123 8.015 0.359 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 123 5.788 1.751 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.409 -0.719 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.852 0.897 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.575 -0.391 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.793 0.308 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.817 -1.047 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.657 -0.288 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.714 1.113 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.264 -0.528 2.746 1.00 0.00 H new ATOM 1884 N LEU A 124 6.096 2.770 -1.882 1.00 0.00 N ATOM 1885 CA LEU A 124 5.430 3.245 -3.090 1.00 0.00 C ATOM 1886 C LEU A 124 6.426 3.400 -4.235 1.00 0.00 C ATOM 1887 O LEU A 124 6.084 3.198 -5.400 1.00 0.00 O ATOM 1888 CB LEU A 124 4.717 4.575 -2.815 1.00 0.00 C ATOM 1889 CG LEU A 124 3.511 4.486 -1.871 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.977 5.881 -1.574 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.433 3.619 -2.503 1.00 0.00 C ATOM 0 H LEU A 124 6.101 3.440 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 124 4.687 2.504 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.438 5.275 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 124 4.385 4.994 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 124 3.819 4.031 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.121 5.808 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.758 6.477 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.669 6.358 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.577 3.556 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.120 4.059 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.828 2.619 -2.681 1.00 0.00 H new ATOM 1903 N ASN A 125 7.659 3.759 -3.896 1.00 0.00 N ATOM 1904 CA ASN A 125 8.733 3.833 -4.881 1.00 0.00 C ATOM 1905 C ASN A 125 9.043 2.453 -5.451 1.00 0.00 C ATOM 1906 O ASN A 125 9.311 2.308 -6.643 1.00 0.00 O ATOM 1907 CB ASN A 125 9.986 4.454 -4.292 1.00 0.00 C ATOM 1908 CG ASN A 125 9.875 5.936 -4.061 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.999 6.608 -4.618 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.807 6.461 -3.307 1.00 0.00 N ATOM 0 H ASN A 125 7.940 4.004 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 125 8.389 4.475 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.213 3.964 -3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.825 4.261 -4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.833 7.469 -3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.507 5.862 -2.870 1.00 0.00 H new ATOM 1917 N ASN A 126 9.005 1.441 -4.591 1.00 0.00 N ATOM 1918 CA ASN A 126 9.145 0.057 -5.032 1.00 0.00 C ATOM 1919 C ASN A 126 7.972 -0.354 -5.915 1.00 0.00 C ATOM 1920 O ASN A 126 8.138 -1.102 -6.879 1.00 0.00 O ATOM 1921 CB ASN A 126 9.277 -0.891 -3.855 1.00 0.00 C ATOM 1922 CG ASN A 126 10.616 -0.830 -3.174 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.628 -0.466 -3.784 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.642 -1.261 -1.939 1.00 0.00 N ATOM 0 H ASN A 126 8.879 1.552 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 126 10.061 -0.006 -5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.499 -0.662 -3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.101 -1.910 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.527 -1.308 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.777 -1.550 -1.481 1.00 0.00 H new ATOM 1931 N PHE A 127 6.785 0.141 -5.582 1.00 0.00 N ATOM 1932 CA PHE A 127 5.606 -0.071 -6.414 1.00 0.00 C ATOM 1933 C PHE A 127 5.809 0.524 -7.806 1.00 0.00 C ATOM 1934 O PHE A 127 5.501 -0.109 -8.815 1.00 0.00 O ATOM 1935 CB PHE A 127 4.368 0.540 -5.753 1.00 0.00 C ATOM 1936 CG PHE A 127 3.102 0.339 -6.537 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.099 -0.428 -7.693 1.00 0.00 C ATOM 1938 CD2 PHE A 127 1.912 0.915 -6.120 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.935 -0.612 -8.414 1.00 0.00 C ATOM 1940 CE2 PHE A 127 0.747 0.732 -6.839 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.760 -0.034 -7.988 1.00 0.00 C ATOM 0 H PHE A 127 6.614 0.692 -4.741 1.00 0.00 H new ATOM 0 HA PHE A 127 5.454 -1.145 -6.519 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.244 0.104 -4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.532 1.608 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.016 -0.886 -8.033 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.896 1.514 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.947 -1.210 -9.313 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.173 1.187 -6.503 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.150 -0.179 -8.551 1.00 0.00 H new ATOM 1951 N LYS A 128 6.332 1.746 -7.849 1.00 0.00 N ATOM 1952 CA LYS A 128 6.638 2.401 -9.115 1.00 0.00 C ATOM 1953 C LYS A 128 7.655 1.594 -9.914 1.00 0.00 C ATOM 1954 O LYS A 128 7.503 1.406 -11.121 1.00 0.00 O ATOM 1955 CB LYS A 128 7.160 3.818 -8.873 1.00 0.00 C ATOM 1956 CG LYS A 128 7.459 4.604 -10.143 1.00 0.00 C ATOM 1957 CD LYS A 128 7.782 6.057 -9.832 1.00 0.00 C ATOM 1958 CE LYS A 128 8.031 6.854 -11.103 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.399 6.629 -11.643 1.00 0.00 N ATOM 0 H LYS A 128 6.552 2.301 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 128 5.717 2.461 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.425 4.367 -8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.069 3.760 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.299 4.147 -10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.601 4.556 -10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.958 6.504 -9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.662 6.107 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.294 6.575 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.892 7.916 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.557 7.254 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.102 6.838 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.496 5.638 -11.942 1.00 0.00 H new ATOM 1973 N ARG A 129 8.692 1.116 -9.233 1.00 0.00 N ATOM 1974 CA ARG A 129 9.716 0.299 -9.872 1.00 0.00 C ATOM 1975 C ARG A 129 9.124 -1.011 -10.385 1.00 0.00 C ATOM 1976 O ARG A 129 9.550 -1.536 -11.414 1.00 0.00 O ATOM 1977 CB ARG A 129 10.909 0.057 -8.961 1.00 0.00 C ATOM 1978 CG ARG A 129 11.782 1.277 -8.712 1.00 0.00 C ATOM 1979 CD ARG A 129 12.886 1.053 -7.745 1.00 0.00 C ATOM 1980 NE ARG A 129 13.725 2.218 -7.507 1.00 0.00 N ATOM 1981 CZ ARG A 129 14.739 2.262 -6.621 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.020 1.227 -5.861 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.430 3.383 -6.520 1.00 0.00 N ATOM 0 H ARG A 129 8.845 1.281 -8.238 1.00 0.00 H new ATOM 0 HA ARG A 129 10.090 0.858 -10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.546 -0.314 -8.002 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.525 -0.730 -9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 129 12.207 1.605 -9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.154 2.090 -8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.460 0.727 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.512 0.239 -8.110 1.00 0.00 H new ATOM 0 HE ARG A 129 13.532 3.060 -8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 129 14.467 0.373 -5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 129 15.791 1.277 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.190 4.184 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.204 3.447 -5.858 1.00 0.00 H new ATOM 1997 N HIS A 130 8.140 -1.535 -9.660 1.00 0.00 N ATOM 1998 CA HIS A 130 7.415 -2.721 -10.099 1.00 0.00 C ATOM 1999 C HIS A 130 6.691 -2.459 -11.416 1.00 0.00 C ATOM 2000 O HIS A 130 6.741 -3.272 -12.337 1.00 0.00 O ATOM 2001 CB HIS A 130 6.415 -3.173 -9.030 1.00 0.00 C ATOM 2002 CG HIS A 130 5.662 -4.414 -9.397 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.236 -5.667 -9.371 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.382 -4.594 -9.799 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.341 -6.566 -9.741 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.209 -5.941 -10.007 1.00 0.00 N ATOM 0 H HIS A 130 7.827 -1.156 -8.766 1.00 0.00 H new ATOM 0 HA HIS A 130 8.142 -3.518 -10.256 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.949 -3.345 -8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.704 -2.368 -8.847 1.00 0.00 H new ATOM 0 HD1 HIS A 130 7.201 -5.869 -9.107 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.637 -3.824 -9.931 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.507 -7.631 -9.813 1.00 0.00 H new ATOM 2013 N VAL A 131 6.017 -1.316 -11.498 1.00 0.00 N ATOM 2014 CA VAL A 131 5.372 -0.896 -12.736 1.00 0.00 C ATOM 2015 C VAL A 131 6.394 -0.695 -13.849 1.00 0.00 C ATOM 2016 O VAL A 131 6.151 -1.058 -14.999 1.00 0.00 O ATOM 2017 CB VAL A 131 4.574 0.408 -12.542 1.00 0.00 C ATOM 2018 CG1 VAL A 131 4.089 0.939 -13.883 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.398 0.179 -11.606 1.00 0.00 C ATOM 0 H VAL A 131 5.904 -0.664 -10.721 1.00 0.00 H new ATOM 0 HA VAL A 131 4.684 -1.693 -13.019 1.00 0.00 H new ATOM 0 HB VAL A 131 5.233 1.151 -12.093 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.527 1.860 -13.728 1.00 0.00 H new ATOM 0 HG12 VAL A 131 4.946 1.140 -14.526 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.446 0.197 -14.357 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.846 1.110 -11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.739 -0.579 -12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.765 -0.159 -10.637 1.00 0.00 H new ATOM 2029 N GLU A 132 7.538 -0.117 -13.498 1.00 0.00 N ATOM 2030 CA GLU A 132 8.621 0.075 -14.454 1.00 0.00 C ATOM 2031 C GLU A 132 9.144 -1.266 -14.960 1.00 0.00 C ATOM 2032 O GLU A 132 9.614 -1.374 -16.092 1.00 0.00 O ATOM 2033 CB GLU A 132 9.758 0.882 -13.823 1.00 0.00 C ATOM 2034 CG GLU A 132 9.438 2.353 -13.602 1.00 0.00 C ATOM 2035 CD GLU A 132 10.518 3.034 -12.810 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.445 2.371 -12.410 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.477 4.238 -12.696 1.00 0.00 O ATOM 0 H GLU A 132 7.739 0.226 -12.559 1.00 0.00 H new ATOM 0 HA GLU A 132 8.226 0.632 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.019 0.432 -12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.638 0.806 -14.461 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.322 2.851 -14.565 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.487 2.446 -13.078 1.00 0.00 H new ATOM 2044 N SER A 133 9.058 -2.286 -14.112 1.00 0.00 N ATOM 2045 CA SER A 133 9.482 -3.630 -14.487 1.00 0.00 C ATOM 2046 C SER A 133 8.483 -4.265 -15.451 1.00 0.00 C ATOM 2047 O SER A 133 8.774 -5.277 -16.088 1.00 0.00 O ATOM 2048 CB SER A 133 9.648 -4.492 -13.251 1.00 0.00 C ATOM 2049 OG SER A 133 10.667 -4.019 -12.414 1.00 0.00 O ATOM 0 H SER A 133 8.699 -2.207 -13.161 1.00 0.00 H new ATOM 0 HA SER A 133 10.444 -3.558 -14.995 1.00 0.00 H new ATOM 0 HB2 SER A 133 8.709 -4.519 -12.699 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.871 -5.516 -13.551 1.00 0.00 H new ATOM 0 HG SER A 133 10.394 -3.167 -12.015 1.00 0.00 H new ATOM 2055 N HIS A 134 7.303 -3.661 -15.552 1.00 0.00 N ATOM 2056 CA HIS A 134 6.287 -4.122 -16.492 1.00 0.00 C ATOM 2057 C HIS A 134 6.376 -3.353 -17.808 1.00 0.00 C ATOM 2058 O HIS A 134 5.463 -3.406 -18.632 1.00 0.00 O ATOM 2059 CB HIS A 134 4.884 -3.976 -15.891 1.00 0.00 C ATOM 2060 CG HIS A 134 4.606 -4.932 -14.773 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.586 -6.299 -14.952 1.00 0.00 N ATOM 2062 CD2 HIS A 134 4.336 -4.719 -13.464 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.315 -6.887 -13.799 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.160 -5.951 -12.881 1.00 0.00 N ATOM 0 H HIS A 134 7.027 -2.852 -14.995 1.00 0.00 H new ATOM 0 HA HIS A 134 6.472 -5.177 -16.693 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.759 -2.957 -15.525 1.00 0.00 H new ATOM 0 HB3 HIS A 134 4.144 -4.125 -16.677 1.00 0.00 H new ATOM 0 HD2 HIS A 134 4.271 -3.761 -12.970 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.234 -7.952 -13.636 1.00 0.00 H new ATOM 0 HE2 HIS A 134 3.944 -6.116 -11.898 1.00 0.00 H new ATOM 2071 N LEU A 135 7.480 -2.639 -17.995 1.00 0.00 N ATOM 2072 CA LEU A 135 7.756 -1.979 -19.265 1.00 0.00 C ATOM 2073 C LEU A 135 8.584 -2.876 -20.179 1.00 0.00 C ATOM 2074 O LEU A 135 8.477 -4.100 -20.123 1.00 0.00 O ATOM 2075 CB LEU A 135 8.478 -0.646 -19.025 1.00 0.00 C ATOM 2076 CG LEU A 135 7.743 0.338 -18.106 1.00 0.00 C ATOM 2077 CD1 LEU A 135 8.590 1.586 -17.895 1.00 0.00 C ATOM 2078 CD2 LEU A 135 6.398 0.697 -18.719 1.00 0.00 C ATOM 0 H LEU A 135 8.198 -2.503 -17.284 1.00 0.00 H new ATOM 0 HA LEU A 135 6.805 -1.780 -19.759 1.00 0.00 H new ATOM 0 HB2 LEU A 135 9.459 -0.854 -18.598 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.646 -0.163 -19.988 1.00 0.00 H new ATOM 0 HG LEU A 135 7.573 -0.127 -17.135 1.00 0.00 H new ATOM 0 HD11 LEU A 135 8.060 2.279 -17.241 1.00 0.00 H new ATOM 0 HD12 LEU A 135 9.539 1.308 -17.437 1.00 0.00 H new ATOM 0 HD13 LEU A 135 8.778 2.065 -18.856 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.876 1.396 -18.066 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.554 1.158 -19.694 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.799 -0.206 -18.837 1.00 0.00 H new ATOM 2090 N GLU A 136 9.413 -2.259 -21.015 1.00 0.00 N ATOM 2091 CA GLU A 136 10.217 -3.001 -21.979 1.00 0.00 C ATOM 2092 C GLU A 136 11.316 -3.791 -21.278 1.00 0.00 C ATOM 2093 O GLU A 136 12.490 -3.419 -21.325 1.00 0.00 O ATOM 2094 CB GLU A 136 10.826 -2.053 -23.014 1.00 0.00 C ATOM 2095 CG GLU A 136 11.450 -2.750 -24.215 1.00 0.00 C ATOM 2096 CD GLU A 136 11.926 -1.755 -25.237 1.00 0.00 C ATOM 2097 OE1 GLU A 136 11.668 -0.587 -25.067 1.00 0.00 O ATOM 2098 OE2 GLU A 136 12.642 -2.146 -26.128 1.00 0.00 O ATOM 0 H GLU A 136 9.545 -1.248 -21.044 1.00 0.00 H new ATOM 0 HA GLU A 136 9.562 -3.705 -22.492 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.051 -1.373 -23.366 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.587 -1.444 -22.527 1.00 0.00 H new ATOM 0 HG2 GLU A 136 12.287 -3.366 -23.886 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.720 -3.420 -24.669 1.00 0.00 H new ATOM 2105 N HIS A 137 10.930 -4.884 -20.628 1.00 0.00 N ATOM 2106 CA HIS A 137 11.885 -5.735 -19.927 1.00 0.00 C ATOM 2107 C HIS A 137 12.828 -6.420 -20.910 1.00 0.00 C ATOM 2108 O HIS A 137 12.399 -6.922 -21.950 1.00 0.00 O ATOM 2109 CB HIS A 137 11.157 -6.782 -19.079 1.00 0.00 C ATOM 2110 CG HIS A 137 12.053 -7.517 -18.130 1.00 0.00 C ATOM 2111 ND1 HIS A 137 12.883 -8.542 -18.534 1.00 0.00 N ATOM 2112 CD2 HIS A 137 12.248 -7.376 -16.798 1.00 0.00 C ATOM 2113 CE1 HIS A 137 13.552 -8.999 -17.489 1.00 0.00 C ATOM 2114 NE2 HIS A 137 13.184 -8.309 -16.425 1.00 0.00 N ATOM 0 H HIS A 137 9.962 -5.201 -20.572 1.00 0.00 H new ATOM 0 HA HIS A 137 12.476 -5.100 -19.267 1.00 0.00 H new ATOM 0 HB2 HIS A 137 10.366 -6.291 -18.512 1.00 0.00 H new ATOM 0 HB3 HIS A 137 10.675 -7.502 -19.741 1.00 0.00 H new ATOM 0 HD2 HIS A 137 11.759 -6.663 -16.150 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.276 -9.800 -17.503 1.00 0.00 H new ATOM 0 HE2 HIS A 137 13.538 -8.447 -15.478 1.00 0.00 H new ATOM 2121 N HIS A 138 14.115 -6.436 -20.577 1.00 0.00 N ATOM 2122 CA HIS A 138 15.119 -7.059 -21.432 1.00 0.00 C ATOM 2123 C HIS A 138 15.682 -8.318 -20.778 1.00 0.00 C ATOM 2124 O HIS A 138 16.755 -8.256 -20.180 1.00 0.00 O ATOM 2125 CB HIS A 138 16.252 -6.077 -21.745 1.00 0.00 C ATOM 2126 CG HIS A 138 15.804 -4.861 -22.495 1.00 0.00 C ATOM 2127 ND1 HIS A 138 15.600 -4.862 -23.858 1.00 0.00 N ATOM 2128 CD2 HIS A 138 15.521 -3.606 -22.072 1.00 0.00 C ATOM 2129 CE1 HIS A 138 15.209 -3.658 -24.242 1.00 0.00 C ATOM 2130 NE2 HIS A 138 15.154 -2.879 -23.179 1.00 0.00 N ATOM 0 H HIS A 138 14.487 -6.025 -19.721 1.00 0.00 H new ATOM 0 HA HIS A 138 14.634 -7.340 -22.367 1.00 0.00 H new ATOM 0 HB2 HIS A 138 16.719 -5.765 -20.811 1.00 0.00 H new ATOM 0 HB3 HIS A 138 17.016 -6.591 -22.328 1.00 0.00 H new ATOM 0 HD2 HIS A 138 15.574 -3.244 -21.056 1.00 0.00 H new ATOM 0 HE1 HIS A 138 14.975 -3.363 -25.254 1.00 0.00 H new ATOM 0 HE2 HIS A 138 14.883 -1.896 -23.179 1.00 0.00 H new TER 2137 HIS A 138