USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 4 ASN : amide:sc= -1.96 K(o=-7.1,f=-3) USER MOD Set 1.2: A 119 GLN : amide:sc= -5.12! C(o=-7.1!,f=-3.1!) USER MOD Set 2.1: A 104 THR OG1 : rot 75:sc= 0.637 USER MOD Set 2.2: A 105 ASN : amide:sc= 0.137 K(o=0.77,f=-4.3!) USER MOD Set 3.1: A 70 THR OG1 : rot 180:sc= -0.364 USER MOD Set 3.2: A 77 GLN : amide:sc= 0 X(o=-0.36,f=-0.36) USER MOD Set 4.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 LYS NZ :NH3+ -114:sc= -0.0687 (180deg=-0.519) USER MOD Single : A 1 GLU N :NH3+ -157:sc= 0 (180deg=-0.679) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -9:sc= -0.13 USER MOD Single : A 11 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=-0.25) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.698 K(o=-0.7,f=-1.9!) USER MOD Single : A 28 SER OG : rot -95:sc= 1.1 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00506 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 44 SER OG : rot 180:sc=8.92e-06 USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= -2.07! (180deg=-5.66!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 171:sc= -0.745 USER MOD Single : A 60 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0231 (180deg=-0.306) USER MOD Single : A 71 ASN : amide:sc= -0.581! C(o=-0.58!,f=-11!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.653 K(o=0.65,f=-3.8!) USER MOD Single : A 97 THR OG1 : rot 120:sc= -2.2 USER MOD Single : A 100 THR OG1 : rot -136:sc= -2.86! USER MOD Single : A 101 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.16) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -2.47 K(o=-2.5,f=-1.6) USER MOD Single : A 111 GLN : amide:sc=-0.00674 X(o=-0.0067,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.73) USER MOD Single : A 115 ASN : amide:sc= -0.737 K(o=-0.74,f=-7!) USER MOD Single : A 117 ASN : amide:sc= -1.34 K(o=-1.3,f=-7.4!) USER MOD Single : A 118 TYR OH : rot 2:sc= 0.794 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.342 13.207 0.614 1.00 0.00 N ATOM 2 CA GLU A 1 2.404 13.407 -0.867 1.00 0.00 C ATOM 3 C GLU A 1 3.795 13.147 -1.498 1.00 0.00 C ATOM 4 O GLU A 1 3.847 12.486 -2.521 1.00 0.00 O ATOM 5 CB GLU A 1 1.946 14.850 -1.168 1.00 0.00 C ATOM 6 CG GLU A 1 0.531 15.087 -0.497 1.00 0.00 C ATOM 7 CD GLU A 1 -0.132 16.317 -1.117 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.655 16.136 -2.215 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.069 17.338 -0.456 1.00 0.00 O ATOM 0 H1 GLU A 1 1.360 13.015 0.898 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.943 12.402 0.881 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.680 14.065 1.095 1.00 0.00 H new ATOM 0 HA GLU A 1 1.748 12.665 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.672 15.565 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.885 15.010 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.101 14.210 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.646 15.227 0.578 1.00 0.00 H new ATOM 18 N GLN A 2 4.875 13.641 -0.937 1.00 0.00 N ATOM 19 CA GLN A 2 6.208 13.361 -1.588 1.00 0.00 C ATOM 20 C GLN A 2 7.315 12.895 -0.610 1.00 0.00 C ATOM 21 O GLN A 2 7.706 13.661 0.249 1.00 0.00 O ATOM 22 CB GLN A 2 6.649 14.653 -2.320 1.00 0.00 C ATOM 23 CG GLN A 2 5.463 15.248 -3.156 1.00 0.00 C ATOM 24 CD GLN A 2 5.968 16.411 -3.997 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.589 17.327 -3.514 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.738 16.448 -5.267 1.00 0.00 N ATOM 0 H GLN A 2 4.900 14.206 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 2 6.073 12.525 -2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.994 15.389 -1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.491 14.435 -2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.036 14.479 -3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.668 15.585 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.217 15.693 -5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.078 17.232 -5.824 1.00 0.00 H new ATOM 35 N ALA A 3 7.783 11.674 -0.756 1.00 0.00 N ATOM 36 CA ALA A 3 8.869 11.165 0.152 1.00 0.00 C ATOM 37 C ALA A 3 10.010 10.603 -0.734 1.00 0.00 C ATOM 38 O ALA A 3 9.731 10.049 -1.784 1.00 0.00 O ATOM 39 CB ALA A 3 8.272 10.063 1.046 1.00 0.00 C ATOM 0 H ALA A 3 7.462 11.010 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 3 9.268 11.956 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.043 9.679 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.454 10.476 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.896 9.252 0.422 1.00 0.00 H new ATOM 45 N ASN A 4 11.246 10.749 -0.330 1.00 0.00 N ATOM 46 CA ASN A 4 12.398 10.221 -1.147 1.00 0.00 C ATOM 47 C ASN A 4 13.324 9.370 -0.254 1.00 0.00 C ATOM 48 O ASN A 4 13.143 9.373 0.949 1.00 0.00 O ATOM 49 CB ASN A 4 13.156 11.436 -1.752 1.00 0.00 C ATOM 50 CG ASN A 4 12.341 12.149 -2.843 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.689 13.202 -3.325 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.242 11.670 -3.312 1.00 0.00 N ATOM 0 H ASN A 4 11.516 11.214 0.537 1.00 0.00 H new ATOM 0 HA ASN A 4 12.041 9.581 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.394 12.144 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.103 11.098 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.734 12.176 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.879 10.785 -2.958 1.00 0.00 H new ATOM 59 N ASP A 5 14.263 8.688 -0.868 1.00 0.00 N ATOM 60 CA ASP A 5 15.246 7.799 -0.146 1.00 0.00 C ATOM 61 C ASP A 5 14.604 7.190 1.133 1.00 0.00 C ATOM 62 O ASP A 5 15.073 7.324 2.248 1.00 0.00 O ATOM 63 CB ASP A 5 16.513 8.723 0.119 1.00 0.00 C ATOM 64 CG ASP A 5 16.151 10.063 0.779 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.832 10.963 0.016 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.220 10.100 1.995 1.00 0.00 O ATOM 0 H ASP A 5 14.397 8.709 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 5 15.547 6.923 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 5 17.218 8.189 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 5 17.020 8.915 -0.827 1.00 0.00 H new ATOM 71 N VAL A 6 13.517 6.495 0.881 1.00 0.00 N ATOM 72 CA VAL A 6 12.746 5.848 1.986 1.00 0.00 C ATOM 73 C VAL A 6 13.031 4.345 2.137 1.00 0.00 C ATOM 74 O VAL A 6 13.004 3.595 1.173 1.00 0.00 O ATOM 75 CB VAL A 6 11.223 6.047 1.711 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.388 5.925 3.016 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.935 7.414 1.070 1.00 0.00 C ATOM 0 H VAL A 6 13.131 6.349 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 6 13.059 6.323 2.916 1.00 0.00 H new ATOM 0 HB VAL A 6 10.932 5.257 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.332 6.069 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.534 4.936 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.712 6.685 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.864 7.515 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.269 8.207 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.467 7.491 0.122 1.00 0.00 H new ATOM 87 N ARG A 7 13.280 3.956 3.360 1.00 0.00 N ATOM 88 CA ARG A 7 13.564 2.517 3.648 1.00 0.00 C ATOM 89 C ARG A 7 12.167 1.876 3.697 1.00 0.00 C ATOM 90 O ARG A 7 11.581 1.691 4.749 1.00 0.00 O ATOM 91 CB ARG A 7 14.294 2.426 5.007 1.00 0.00 C ATOM 92 CG ARG A 7 15.822 2.422 4.808 1.00 0.00 C ATOM 93 CD ARG A 7 16.430 2.107 6.206 1.00 0.00 C ATOM 94 NE ARG A 7 17.942 2.102 6.174 1.00 0.00 N ATOM 95 CZ ARG A 7 18.617 2.623 5.224 1.00 0.00 C ATOM 96 NH1 ARG A 7 18.476 3.870 5.032 1.00 0.00 N ATOM 97 NH2 ARG A 7 19.389 1.894 4.526 1.00 0.00 N ATOM 0 H ARG A 7 13.299 4.572 4.173 1.00 0.00 H new ATOM 0 HA ARG A 7 14.202 2.021 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 7 14.007 3.268 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.988 1.519 5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.119 1.673 4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 7 16.171 3.386 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.084 2.847 6.928 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.071 1.136 6.548 1.00 0.00 H new ATOM 0 HE ARG A 7 18.445 1.663 6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.845 4.409 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.994 4.333 4.285 1.00 0.00 H new ATOM 0 HH21 ARG A 7 19.467 0.897 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 7 19.930 2.306 3.766 1.00 0.00 H new ATOM 111 N ALA A 8 11.692 1.560 2.527 1.00 0.00 N ATOM 112 CA ALA A 8 10.354 0.940 2.374 1.00 0.00 C ATOM 113 C ALA A 8 10.326 -0.573 2.644 1.00 0.00 C ATOM 114 O ALA A 8 11.169 -1.330 2.207 1.00 0.00 O ATOM 115 CB ALA A 8 9.883 1.259 0.929 1.00 0.00 C ATOM 0 H ALA A 8 12.190 1.711 1.650 1.00 0.00 H new ATOM 0 HA ALA A 8 9.684 1.356 3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.898 0.823 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.829 2.339 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.591 0.839 0.214 1.00 0.00 H new ATOM 121 N THR A 9 9.321 -0.972 3.364 1.00 0.00 N ATOM 122 CA THR A 9 9.149 -2.424 3.704 1.00 0.00 C ATOM 123 C THR A 9 8.188 -2.905 2.611 1.00 0.00 C ATOM 124 O THR A 9 7.680 -2.072 1.882 1.00 0.00 O ATOM 125 CB THR A 9 8.496 -2.603 5.096 1.00 0.00 C ATOM 126 OG1 THR A 9 7.163 -2.159 4.928 1.00 0.00 O ATOM 127 CG2 THR A 9 9.028 -1.592 6.114 1.00 0.00 C ATOM 0 H THR A 9 8.600 -0.356 3.739 1.00 0.00 H new ATOM 0 HA THR A 9 10.093 -2.967 3.745 1.00 0.00 H new ATOM 0 HB THR A 9 8.658 -3.629 5.428 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.680 -2.245 5.777 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.542 -1.755 7.076 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.105 -1.720 6.225 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.816 -0.581 5.767 1.00 0.00 H new ATOM 135 N TYR A 10 7.941 -4.186 2.466 1.00 0.00 N ATOM 136 CA TYR A 10 7.000 -4.576 1.371 1.00 0.00 C ATOM 137 C TYR A 10 5.904 -5.657 1.604 1.00 0.00 C ATOM 138 O TYR A 10 6.147 -6.847 1.659 1.00 0.00 O ATOM 139 CB TYR A 10 7.970 -4.919 0.157 1.00 0.00 C ATOM 140 CG TYR A 10 8.211 -6.422 -0.020 1.00 0.00 C ATOM 141 CD1 TYR A 10 9.124 -7.134 0.735 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.455 -7.089 -0.953 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.265 -8.499 0.554 1.00 0.00 C ATOM 144 CE2 TYR A 10 7.598 -8.441 -1.129 1.00 0.00 C ATOM 145 CZ TYR A 10 8.495 -9.154 -0.380 1.00 0.00 C ATOM 146 OH TYR A 10 8.570 -10.513 -0.557 1.00 0.00 O ATOM 0 H TYR A 10 8.328 -4.944 3.028 1.00 0.00 H new ATOM 0 HA TYR A 10 6.314 -3.743 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.547 -4.515 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.927 -4.421 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.730 -6.623 1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.742 -6.544 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.980 -9.051 1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.996 -8.950 -1.867 1.00 0.00 H new ATOM 0 HH TYR A 10 9.324 -10.869 -0.043 1.00 0.00 H new ATOM 156 N HIS A 11 4.694 -5.194 1.777 1.00 0.00 N ATOM 157 CA HIS A 11 3.583 -6.179 1.970 1.00 0.00 C ATOM 158 C HIS A 11 2.503 -5.687 0.987 1.00 0.00 C ATOM 159 O HIS A 11 2.043 -4.547 0.945 1.00 0.00 O ATOM 160 CB HIS A 11 3.047 -6.207 3.436 1.00 0.00 C ATOM 161 CG HIS A 11 2.716 -7.664 3.758 1.00 0.00 C ATOM 162 ND1 HIS A 11 3.617 -8.566 3.947 1.00 0.00 N ATOM 163 CD2 HIS A 11 1.519 -8.341 3.912 1.00 0.00 C ATOM 164 CE1 HIS A 11 3.055 -9.709 4.198 1.00 0.00 C ATOM 165 NE2 HIS A 11 1.748 -9.610 4.184 1.00 0.00 N ATOM 0 H HIS A 11 4.429 -4.209 1.794 1.00 0.00 H new ATOM 0 HA HIS A 11 3.906 -7.204 1.786 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.794 -5.818 4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.162 -5.578 3.536 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.540 -7.894 3.822 1.00 0.00 H new ATOM 0 HE1 HIS A 11 3.595 -10.624 4.393 1.00 0.00 H new ATOM 0 HE2 HIS A 11 1.063 -10.348 4.347 1.00 0.00 H new ATOM 173 N TYR A 12 2.177 -6.684 0.219 1.00 0.00 N ATOM 174 CA TYR A 12 1.181 -6.597 -0.863 1.00 0.00 C ATOM 175 C TYR A 12 -0.048 -7.475 -0.637 1.00 0.00 C ATOM 176 O TYR A 12 0.036 -8.598 -0.171 1.00 0.00 O ATOM 177 CB TYR A 12 1.880 -7.016 -2.181 1.00 0.00 C ATOM 178 CG TYR A 12 2.609 -8.349 -1.925 1.00 0.00 C ATOM 179 CD1 TYR A 12 3.852 -8.339 -1.331 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.040 -9.565 -2.255 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.510 -9.521 -1.071 1.00 0.00 C ATOM 182 CE2 TYR A 12 2.711 -10.750 -1.992 1.00 0.00 C ATOM 183 CZ TYR A 12 3.948 -10.723 -1.398 1.00 0.00 C ATOM 184 OH TYR A 12 4.637 -11.886 -1.128 1.00 0.00 O ATOM 0 H TYR A 12 2.593 -7.611 0.311 1.00 0.00 H new ATOM 0 HA TYR A 12 0.815 -5.571 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.149 -7.128 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.586 -6.249 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.313 -7.399 -1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.066 -9.592 -2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.483 -9.497 -0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.260 -11.695 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 12 4.105 -12.656 -1.418 1.00 0.00 H new ATOM 194 N TYR A 13 -1.158 -6.904 -0.983 1.00 0.00 N ATOM 195 CA TYR A 13 -2.449 -7.641 -0.844 1.00 0.00 C ATOM 196 C TYR A 13 -2.719 -7.951 -2.349 1.00 0.00 C ATOM 197 O TYR A 13 -2.489 -7.081 -3.184 1.00 0.00 O ATOM 198 CB TYR A 13 -3.466 -6.680 -0.156 1.00 0.00 C ATOM 199 CG TYR A 13 -4.210 -7.468 0.939 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.553 -7.723 2.128 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.507 -7.931 0.782 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.172 -8.427 3.144 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.126 -8.637 1.802 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.455 -8.885 2.989 1.00 0.00 C ATOM 205 OH TYR A 13 -6.026 -9.579 4.033 1.00 0.00 O ATOM 0 H TYR A 13 -1.235 -5.958 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.488 -8.543 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.947 -5.825 0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.172 -6.287 -0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.542 -7.367 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.038 -7.741 -0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.642 -8.617 4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.136 -8.996 1.671 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.937 -9.844 3.790 1.00 0.00 H new ATOM 215 N ARG A 14 -3.177 -9.185 -2.527 1.00 0.00 N ATOM 216 CA ARG A 14 -3.549 -9.930 -3.809 1.00 0.00 C ATOM 217 C ARG A 14 -4.964 -9.817 -4.461 1.00 0.00 C ATOM 218 O ARG A 14 -5.792 -10.697 -4.305 1.00 0.00 O ATOM 219 CB ARG A 14 -3.295 -11.490 -3.594 1.00 0.00 C ATOM 220 CG ARG A 14 -1.866 -11.794 -3.105 1.00 0.00 C ATOM 221 CD ARG A 14 -1.529 -13.326 -3.035 1.00 0.00 C ATOM 222 NE ARG A 14 -2.465 -14.050 -2.089 1.00 0.00 N ATOM 223 CZ ARG A 14 -2.633 -15.321 -2.161 1.00 0.00 C ATOM 224 NH1 ARG A 14 -1.719 -16.037 -1.647 1.00 0.00 N ATOM 225 NH2 ARG A 14 -3.674 -15.792 -2.723 1.00 0.00 N ATOM 0 H ARG A 14 -3.327 -9.785 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.910 -9.399 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.013 -11.875 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.474 -12.016 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.154 -11.305 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.730 -11.357 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.604 -13.763 -4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.499 -13.460 -2.705 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.971 -13.518 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.910 -15.595 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.793 -17.054 -1.672 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.372 -15.160 -3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.810 -16.801 -2.781 1.00 0.00 H new ATOM 239 N PRO A 15 -5.206 -8.761 -5.201 1.00 0.00 N ATOM 240 CA PRO A 15 -6.555 -8.469 -5.778 1.00 0.00 C ATOM 241 C PRO A 15 -6.965 -9.677 -6.650 1.00 0.00 C ATOM 242 O PRO A 15 -8.092 -10.154 -6.647 1.00 0.00 O ATOM 243 CB PRO A 15 -6.303 -7.122 -6.504 1.00 0.00 C ATOM 244 CG PRO A 15 -4.808 -7.189 -6.876 1.00 0.00 C ATOM 245 CD PRO A 15 -4.188 -7.749 -5.605 1.00 0.00 C ATOM 0 HA PRO A 15 -7.398 -8.355 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.932 -7.018 -7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.518 -6.271 -5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.630 -7.836 -7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.406 -6.207 -7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.212 -8.199 -5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.048 -6.981 -4.844 1.00 0.00 H new ATOM 253 N ALA A 16 -5.972 -10.140 -7.375 1.00 0.00 N ATOM 254 CA ALA A 16 -6.132 -11.312 -8.293 1.00 0.00 C ATOM 255 C ALA A 16 -7.027 -12.382 -7.650 1.00 0.00 C ATOM 256 O ALA A 16 -7.785 -13.026 -8.348 1.00 0.00 O ATOM 257 CB ALA A 16 -4.729 -11.842 -8.599 1.00 0.00 C ATOM 0 H ALA A 16 -5.033 -9.742 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.624 -11.022 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.802 -12.700 -9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.140 -11.059 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.244 -12.145 -7.671 1.00 0.00 H new ATOM 263 N GLN A 17 -6.881 -12.516 -6.354 1.00 0.00 N ATOM 264 CA GLN A 17 -7.660 -13.487 -5.529 1.00 0.00 C ATOM 265 C GLN A 17 -9.001 -13.932 -6.139 1.00 0.00 C ATOM 266 O GLN A 17 -9.225 -15.083 -6.431 1.00 0.00 O ATOM 267 CB GLN A 17 -7.894 -12.804 -4.156 1.00 0.00 C ATOM 268 CG GLN A 17 -8.701 -13.717 -3.183 1.00 0.00 C ATOM 269 CD GLN A 17 -9.253 -12.884 -2.019 1.00 0.00 C ATOM 270 OE1 GLN A 17 -8.536 -12.292 -1.244 1.00 0.00 O ATOM 271 NE2 GLN A 17 -10.531 -12.797 -1.838 1.00 0.00 N ATOM 0 H GLN A 17 -6.219 -11.962 -5.811 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.084 -14.409 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.933 -12.554 -3.706 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.430 -11.867 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.520 -14.198 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.060 -14.511 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.170 -13.281 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.900 -12.244 -1.064 1.00 0.00 H new ATOM 280 N ASN A 18 -9.848 -12.959 -6.305 1.00 0.00 N ATOM 281 CA ASN A 18 -11.214 -13.176 -6.863 1.00 0.00 C ATOM 282 C ASN A 18 -11.578 -12.145 -7.945 1.00 0.00 C ATOM 283 O ASN A 18 -12.393 -11.282 -7.686 1.00 0.00 O ATOM 284 CB ASN A 18 -12.094 -13.110 -5.630 1.00 0.00 C ATOM 285 CG ASN A 18 -13.486 -13.732 -5.779 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.712 -14.873 -5.454 1.00 0.00 O ATOM 287 ND2 ASN A 18 -14.470 -13.054 -6.264 1.00 0.00 N ATOM 0 H ASN A 18 -9.645 -11.988 -6.069 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.323 -14.121 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.578 -13.609 -4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.211 -12.065 -5.344 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.389 -13.486 -6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -14.329 -12.086 -6.553 1.00 0.00 H new ATOM 294 N ASN A 19 -10.966 -12.244 -9.103 1.00 0.00 N ATOM 295 CA ASN A 19 -11.240 -11.290 -10.257 1.00 0.00 C ATOM 296 C ASN A 19 -11.517 -9.848 -9.716 1.00 0.00 C ATOM 297 O ASN A 19 -12.501 -9.199 -10.007 1.00 0.00 O ATOM 298 CB ASN A 19 -12.460 -11.870 -11.027 1.00 0.00 C ATOM 299 CG ASN A 19 -12.610 -11.250 -12.419 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.892 -10.090 -12.605 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.434 -11.970 -13.479 1.00 0.00 N ATOM 0 H ASN A 19 -10.270 -12.959 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.383 -11.204 -10.925 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.348 -12.950 -11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.369 -11.693 -10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.535 -11.550 -14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.194 -12.957 -13.391 1.00 0.00 H new ATOM 308 N TRP A 20 -10.571 -9.425 -8.915 1.00 0.00 N ATOM 309 CA TRP A 20 -10.533 -8.079 -8.216 1.00 0.00 C ATOM 310 C TRP A 20 -11.933 -7.586 -7.797 1.00 0.00 C ATOM 311 O TRP A 20 -12.209 -6.403 -7.846 1.00 0.00 O ATOM 312 CB TRP A 20 -9.827 -6.960 -9.168 1.00 0.00 C ATOM 313 CG TRP A 20 -8.300 -7.121 -9.363 1.00 0.00 C ATOM 314 CD1 TRP A 20 -7.785 -8.322 -9.283 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.308 -6.261 -9.735 1.00 0.00 C ATOM 316 NE1 TRP A 20 -6.520 -8.159 -9.633 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.137 -6.943 -9.922 1.00 0.00 C ATOM 318 CE3 TRP A 20 -7.261 -4.928 -9.907 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -4.959 -6.319 -10.295 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -6.107 -4.280 -10.269 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.941 -4.963 -10.472 1.00 0.00 C ATOM 0 H TRP A 20 -9.757 -9.999 -8.696 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.946 -8.219 -7.308 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.306 -6.986 -10.147 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.020 -5.974 -8.745 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -8.281 -9.238 -8.996 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -5.873 -8.946 -9.675 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -8.160 -4.349 -9.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.060 -6.899 -10.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.121 -3.208 -10.396 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -4.036 -4.450 -10.762 1.00 0.00 H new ATOM 332 N ASP A 21 -12.793 -8.502 -7.402 1.00 0.00 N ATOM 333 CA ASP A 21 -14.165 -8.128 -6.957 1.00 0.00 C ATOM 334 C ASP A 21 -13.992 -7.895 -5.456 1.00 0.00 C ATOM 335 O ASP A 21 -14.742 -8.361 -4.624 1.00 0.00 O ATOM 336 CB ASP A 21 -15.148 -9.287 -7.192 1.00 0.00 C ATOM 337 CG ASP A 21 -16.590 -8.755 -7.098 1.00 0.00 C ATOM 338 OD1 ASP A 21 -16.798 -7.798 -6.366 1.00 0.00 O ATOM 339 OD2 ASP A 21 -17.419 -9.342 -7.767 1.00 0.00 O ATOM 0 H ASP A 21 -12.593 -9.502 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.564 -7.267 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.975 -9.733 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.988 -10.071 -6.452 1.00 0.00 H new ATOM 344 N LEU A 22 -12.987 -7.147 -5.097 1.00 0.00 N ATOM 345 CA LEU A 22 -12.746 -6.890 -3.652 1.00 0.00 C ATOM 346 C LEU A 22 -13.983 -6.429 -2.844 1.00 0.00 C ATOM 347 O LEU A 22 -13.907 -6.310 -1.639 1.00 0.00 O ATOM 348 CB LEU A 22 -11.573 -5.884 -3.523 1.00 0.00 C ATOM 349 CG LEU A 22 -11.253 -5.105 -4.768 1.00 0.00 C ATOM 350 CD1 LEU A 22 -12.426 -4.228 -5.131 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.134 -4.171 -4.367 1.00 0.00 C ATOM 0 H LEU A 22 -12.327 -6.706 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.492 -7.848 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.806 -5.180 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.681 -6.430 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.010 -5.768 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.193 -3.664 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.304 -4.849 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.630 -3.536 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.841 -3.565 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.474 -3.520 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.278 -4.754 -4.026 1.00 0.00 H new ATOM 363 N GLY A 23 -15.091 -6.168 -3.508 1.00 0.00 N ATOM 364 CA GLY A 23 -16.359 -5.739 -2.792 1.00 0.00 C ATOM 365 C GLY A 23 -16.700 -6.905 -1.834 1.00 0.00 C ATOM 366 O GLY A 23 -17.307 -6.755 -0.793 1.00 0.00 O ATOM 0 H GLY A 23 -15.178 -6.232 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.206 -4.810 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.169 -5.561 -3.499 1.00 0.00 H new ATOM 370 N ALA A 24 -16.289 -8.067 -2.277 1.00 0.00 N ATOM 371 CA ALA A 24 -16.472 -9.358 -1.553 1.00 0.00 C ATOM 372 C ALA A 24 -16.152 -9.216 -0.010 1.00 0.00 C ATOM 373 O ALA A 24 -15.020 -8.947 0.352 1.00 0.00 O ATOM 374 CB ALA A 24 -15.537 -10.345 -2.295 1.00 0.00 C ATOM 0 H ALA A 24 -15.804 -8.174 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.503 -9.711 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.604 -11.329 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.838 -10.416 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.509 -9.986 -2.237 1.00 0.00 H new ATOM 380 N PRO A 25 -17.138 -9.402 0.860 1.00 0.00 N ATOM 381 CA PRO A 25 -17.031 -9.084 2.324 1.00 0.00 C ATOM 382 C PRO A 25 -15.610 -9.254 2.912 1.00 0.00 C ATOM 383 O PRO A 25 -14.994 -8.338 3.423 1.00 0.00 O ATOM 384 CB PRO A 25 -18.099 -10.008 2.995 1.00 0.00 C ATOM 385 CG PRO A 25 -18.757 -10.808 1.821 1.00 0.00 C ATOM 386 CD PRO A 25 -18.483 -9.982 0.557 1.00 0.00 C ATOM 0 HA PRO A 25 -17.221 -8.028 2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.637 -10.681 3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.842 -9.421 3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.328 -11.807 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.828 -10.934 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -18.470 -10.600 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -19.236 -9.210 0.401 1.00 0.00 H new ATOM 394 N ALA A 26 -15.163 -10.476 2.782 1.00 0.00 N ATOM 395 CA ALA A 26 -13.824 -10.996 3.235 1.00 0.00 C ATOM 396 C ALA A 26 -12.613 -10.063 3.026 1.00 0.00 C ATOM 397 O ALA A 26 -11.595 -10.159 3.683 1.00 0.00 O ATOM 398 CB ALA A 26 -13.619 -12.348 2.491 1.00 0.00 C ATOM 0 H ALA A 26 -15.725 -11.202 2.338 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.857 -11.093 4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.660 -12.779 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.421 -13.036 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.632 -12.177 1.415 1.00 0.00 H new ATOM 404 N VAL A 27 -12.810 -9.197 2.084 1.00 0.00 N ATOM 405 CA VAL A 27 -11.787 -8.185 1.677 1.00 0.00 C ATOM 406 C VAL A 27 -12.149 -6.755 2.054 1.00 0.00 C ATOM 407 O VAL A 27 -11.438 -6.048 2.739 1.00 0.00 O ATOM 408 CB VAL A 27 -11.627 -8.229 0.161 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.361 -7.465 -0.174 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.552 -9.678 -0.363 1.00 0.00 C ATOM 0 H VAL A 27 -13.677 -9.141 1.550 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.872 -8.447 2.208 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.494 -7.777 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.207 -7.471 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.454 -6.436 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.510 -7.938 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.438 -9.667 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.698 -10.184 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.467 -10.208 -0.099 1.00 0.00 H new ATOM 420 N SER A 28 -13.297 -6.457 1.511 1.00 0.00 N ATOM 421 CA SER A 28 -14.009 -5.146 1.619 1.00 0.00 C ATOM 422 C SER A 28 -13.146 -3.865 1.780 1.00 0.00 C ATOM 423 O SER A 28 -13.017 -3.315 2.854 1.00 0.00 O ATOM 424 CB SER A 28 -15.037 -5.239 2.800 1.00 0.00 C ATOM 425 OG SER A 28 -14.315 -5.737 3.921 1.00 0.00 O ATOM 0 H SER A 28 -13.813 -7.132 0.947 1.00 0.00 H new ATOM 0 HA SER A 28 -14.477 -5.008 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.468 -4.262 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.864 -5.902 2.544 1.00 0.00 H new ATOM 0 HG SER A 28 -14.423 -6.710 3.974 1.00 0.00 H new ATOM 431 N ALA A 29 -12.575 -3.423 0.683 1.00 0.00 N ATOM 432 CA ALA A 29 -11.698 -2.192 0.671 1.00 0.00 C ATOM 433 C ALA A 29 -12.461 -0.849 0.419 1.00 0.00 C ATOM 434 O ALA A 29 -13.566 -0.888 -0.092 1.00 0.00 O ATOM 435 CB ALA A 29 -10.653 -2.490 -0.395 1.00 0.00 C ATOM 0 H ALA A 29 -12.679 -3.870 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.259 -2.017 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.966 -1.648 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.097 -3.386 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.147 -2.650 -1.354 1.00 0.00 H new ATOM 441 N TYR A 30 -11.868 0.293 0.749 1.00 0.00 N ATOM 442 CA TYR A 30 -12.540 1.638 0.561 1.00 0.00 C ATOM 443 C TYR A 30 -13.560 1.972 -0.529 1.00 0.00 C ATOM 444 O TYR A 30 -14.657 2.395 -0.226 1.00 0.00 O ATOM 445 CB TYR A 30 -11.445 2.747 0.453 1.00 0.00 C ATOM 446 CG TYR A 30 -11.690 3.728 1.600 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.872 4.457 1.595 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.793 3.909 2.617 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.152 5.356 2.592 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.077 4.818 3.622 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.253 5.540 3.605 1.00 0.00 C ATOM 452 OH TYR A 30 -12.526 6.437 4.604 1.00 0.00 O ATOM 0 H TYR A 30 -10.931 0.348 1.147 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.180 1.584 1.442 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.448 2.313 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.504 3.256 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.582 4.314 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.871 3.347 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.076 5.915 2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.372 4.963 4.427 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.786 6.447 5.246 1.00 0.00 H new ATOM 462 N CYS A 31 -13.162 1.777 -1.749 1.00 0.00 N ATOM 463 CA CYS A 31 -14.070 2.080 -2.900 1.00 0.00 C ATOM 464 C CYS A 31 -14.659 0.823 -3.533 1.00 0.00 C ATOM 465 O CYS A 31 -15.462 0.933 -4.431 1.00 0.00 O ATOM 466 CB CYS A 31 -13.228 2.937 -3.898 1.00 0.00 C ATOM 467 SG CYS A 31 -12.945 4.627 -3.298 1.00 0.00 S ATOM 0 H CYS A 31 -12.243 1.419 -2.008 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.949 2.633 -2.570 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.268 2.450 -4.069 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.741 2.977 -4.859 1.00 0.00 H new ATOM 472 N ALA A 32 -14.260 -0.329 -3.043 1.00 0.00 N ATOM 473 CA ALA A 32 -14.748 -1.656 -3.548 1.00 0.00 C ATOM 474 C ALA A 32 -16.243 -1.497 -3.969 1.00 0.00 C ATOM 475 O ALA A 32 -16.566 -1.663 -5.125 1.00 0.00 O ATOM 476 CB ALA A 32 -14.508 -2.612 -2.387 1.00 0.00 C ATOM 0 H ALA A 32 -13.587 -0.406 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.241 -2.038 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.837 -3.613 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.445 -2.633 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.070 -2.275 -1.516 1.00 0.00 H new ATOM 482 N THR A 33 -17.092 -1.168 -3.023 1.00 0.00 N ATOM 483 CA THR A 33 -18.568 -0.960 -3.264 1.00 0.00 C ATOM 484 C THR A 33 -18.887 -0.232 -4.587 1.00 0.00 C ATOM 485 O THR A 33 -19.842 -0.504 -5.285 1.00 0.00 O ATOM 486 CB THR A 33 -19.154 -0.110 -2.148 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.851 -0.786 -0.944 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.677 -0.156 -2.156 1.00 0.00 C ATOM 0 H THR A 33 -16.814 -1.028 -2.051 1.00 0.00 H new ATOM 0 HA THR A 33 -19.000 -1.960 -3.305 1.00 0.00 H new ATOM 0 HB THR A 33 -18.774 0.906 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.206 -0.278 -0.185 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.064 0.462 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 33 -21.047 0.222 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 33 -21.011 -1.185 -2.019 1.00 0.00 H new ATOM 496 N TRP A 34 -18.024 0.706 -4.863 1.00 0.00 N ATOM 497 CA TRP A 34 -18.066 1.602 -6.067 1.00 0.00 C ATOM 498 C TRP A 34 -17.019 1.337 -7.176 1.00 0.00 C ATOM 499 O TRP A 34 -17.155 1.888 -8.249 1.00 0.00 O ATOM 500 CB TRP A 34 -17.931 3.036 -5.504 1.00 0.00 C ATOM 501 CG TRP A 34 -19.066 3.267 -4.503 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.399 3.134 -4.754 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.885 3.605 -3.216 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.931 3.403 -3.575 1.00 0.00 N ATOM 505 CE2 TRP A 34 -20.097 3.697 -2.588 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.718 3.852 -2.522 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -20.143 4.030 -1.253 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.758 4.189 -1.180 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.980 4.276 -0.548 1.00 0.00 C ATOM 0 H TRP A 34 -17.229 0.904 -4.255 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.000 1.414 -6.597 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.964 3.164 -5.018 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.981 3.767 -6.311 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.893 2.875 -5.679 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.941 3.385 -3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.767 3.782 -3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -21.097 4.100 -0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.845 4.381 -0.636 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -19.029 4.537 0.499 1.00 0.00 H new ATOM 520 N ASP A 35 -16.033 0.520 -6.912 1.00 0.00 N ATOM 521 CA ASP A 35 -14.925 0.155 -7.870 1.00 0.00 C ATOM 522 C ASP A 35 -15.026 -1.292 -8.383 1.00 0.00 C ATOM 523 O ASP A 35 -14.795 -1.586 -9.544 1.00 0.00 O ATOM 524 CB ASP A 35 -13.642 0.385 -7.104 1.00 0.00 C ATOM 525 CG ASP A 35 -12.387 0.192 -7.953 1.00 0.00 C ATOM 526 OD1 ASP A 35 -12.308 -0.858 -8.562 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.565 1.084 -7.963 1.00 0.00 O ATOM 0 H ASP A 35 -15.941 0.056 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.980 0.765 -8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.646 1.397 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.606 -0.298 -6.255 1.00 0.00 H new ATOM 532 N ALA A 36 -15.374 -2.170 -7.486 1.00 0.00 N ATOM 533 CA ALA A 36 -15.517 -3.615 -7.841 1.00 0.00 C ATOM 534 C ALA A 36 -16.494 -3.706 -9.037 1.00 0.00 C ATOM 535 O ALA A 36 -16.465 -4.637 -9.818 1.00 0.00 O ATOM 536 CB ALA A 36 -16.047 -4.349 -6.586 1.00 0.00 C ATOM 0 H ALA A 36 -15.568 -1.949 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.576 -4.079 -8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.165 -5.410 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.339 -4.226 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.011 -3.929 -6.299 1.00 0.00 H new ATOM 542 N SER A 37 -17.335 -2.699 -9.139 1.00 0.00 N ATOM 543 CA SER A 37 -18.350 -2.631 -10.242 1.00 0.00 C ATOM 544 C SER A 37 -17.788 -1.964 -11.505 1.00 0.00 C ATOM 545 O SER A 37 -18.385 -2.074 -12.559 1.00 0.00 O ATOM 546 CB SER A 37 -19.586 -1.828 -9.773 1.00 0.00 C ATOM 547 OG SER A 37 -19.182 -0.457 -9.783 1.00 0.00 O ATOM 0 H SER A 37 -17.360 -1.910 -8.493 1.00 0.00 H new ATOM 0 HA SER A 37 -18.625 -3.657 -10.485 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.434 -1.991 -10.438 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.898 -2.137 -8.776 1.00 0.00 H new ATOM 0 HG SER A 37 -19.930 0.107 -9.494 1.00 0.00 H new ATOM 553 N LYS A 38 -16.669 -1.278 -11.412 1.00 0.00 N ATOM 554 CA LYS A 38 -16.109 -0.630 -12.647 1.00 0.00 C ATOM 555 C LYS A 38 -15.680 -1.705 -13.681 1.00 0.00 C ATOM 556 O LYS A 38 -15.339 -2.826 -13.333 1.00 0.00 O ATOM 557 CB LYS A 38 -14.861 0.262 -12.271 1.00 0.00 C ATOM 558 CG LYS A 38 -15.278 1.751 -12.149 1.00 0.00 C ATOM 559 CD LYS A 38 -16.013 1.981 -10.809 1.00 0.00 C ATOM 560 CE LYS A 38 -17.052 3.069 -10.940 1.00 0.00 C ATOM 561 NZ LYS A 38 -18.163 2.460 -11.736 1.00 0.00 N ATOM 0 H LYS A 38 -16.130 -1.140 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.885 -0.004 -13.087 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.432 -0.080 -11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.087 0.155 -13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.397 2.391 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.926 2.026 -12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.490 1.055 -10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.293 2.252 -10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.403 3.397 -9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.643 3.945 -11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.236 2.941 -12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.968 1.450 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.059 2.565 -11.219 1.00 0.00 H new ATOM 575 N PRO A 39 -15.693 -1.336 -14.944 1.00 0.00 N ATOM 576 CA PRO A 39 -15.352 -2.275 -16.059 1.00 0.00 C ATOM 577 C PRO A 39 -13.917 -2.829 -15.879 1.00 0.00 C ATOM 578 O PRO A 39 -12.977 -2.058 -15.843 1.00 0.00 O ATOM 579 CB PRO A 39 -15.540 -1.418 -17.328 1.00 0.00 C ATOM 580 CG PRO A 39 -15.261 0.009 -16.792 1.00 0.00 C ATOM 581 CD PRO A 39 -16.009 0.024 -15.459 1.00 0.00 C ATOM 0 HA PRO A 39 -15.976 -3.168 -16.101 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.845 -1.701 -18.119 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.545 -1.511 -17.739 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.194 0.189 -16.659 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.632 0.776 -17.472 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.652 0.810 -14.794 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.080 0.178 -15.588 1.00 0.00 H new ATOM 589 N LEU A 40 -13.785 -4.131 -15.772 1.00 0.00 N ATOM 590 CA LEU A 40 -12.478 -4.825 -15.591 1.00 0.00 C ATOM 591 C LEU A 40 -11.237 -4.024 -16.002 1.00 0.00 C ATOM 592 O LEU A 40 -10.337 -3.838 -15.206 1.00 0.00 O ATOM 593 CB LEU A 40 -12.658 -6.152 -16.360 1.00 0.00 C ATOM 594 CG LEU A 40 -12.987 -7.279 -15.340 1.00 0.00 C ATOM 595 CD1 LEU A 40 -13.454 -8.552 -16.058 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.708 -7.654 -14.590 1.00 0.00 C ATOM 0 H LEU A 40 -14.579 -4.770 -15.806 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.259 -4.978 -14.534 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.460 -6.059 -17.092 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.750 -6.395 -16.912 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.768 -6.911 -14.675 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.677 -9.324 -15.322 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.350 -8.334 -16.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.666 -8.904 -16.725 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.926 -8.444 -13.871 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.960 -8.006 -15.300 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.325 -6.780 -14.063 1.00 0.00 H new ATOM 608 N SER A 41 -11.267 -3.591 -17.231 1.00 0.00 N ATOM 609 CA SER A 41 -10.179 -2.785 -17.857 1.00 0.00 C ATOM 610 C SER A 41 -9.602 -1.683 -16.939 1.00 0.00 C ATOM 611 O SER A 41 -8.410 -1.579 -16.720 1.00 0.00 O ATOM 612 CB SER A 41 -10.779 -2.181 -19.138 1.00 0.00 C ATOM 613 OG SER A 41 -11.195 -3.328 -19.876 1.00 0.00 O ATOM 0 H SER A 41 -12.047 -3.775 -17.862 1.00 0.00 H new ATOM 0 HA SER A 41 -9.326 -3.431 -18.063 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.616 -1.519 -18.917 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.044 -1.593 -19.688 1.00 0.00 H new ATOM 0 HG SER A 41 -11.599 -3.044 -20.722 1.00 0.00 H new ATOM 619 N TRP A 42 -10.473 -0.869 -16.401 1.00 0.00 N ATOM 620 CA TRP A 42 -9.968 0.224 -15.517 1.00 0.00 C ATOM 621 C TRP A 42 -9.458 -0.378 -14.189 1.00 0.00 C ATOM 622 O TRP A 42 -8.421 0.040 -13.709 1.00 0.00 O ATOM 623 CB TRP A 42 -11.127 1.225 -15.322 1.00 0.00 C ATOM 624 CG TRP A 42 -10.579 2.510 -14.664 1.00 0.00 C ATOM 625 CD1 TRP A 42 -10.019 3.564 -15.336 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.563 2.784 -13.341 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.704 4.401 -14.361 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.991 4.022 -13.123 1.00 0.00 C ATOM 629 CE3 TRP A 42 -11.009 2.035 -12.270 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.868 4.512 -11.835 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.888 2.518 -10.989 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.320 3.755 -10.766 1.00 0.00 C ATOM 0 H TRP A 42 -11.484 -0.910 -16.530 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.122 0.752 -15.957 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.586 1.461 -16.282 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.904 0.784 -14.697 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.871 3.683 -16.399 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.260 5.299 -14.553 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.455 1.066 -12.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.422 5.480 -11.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.238 1.928 -10.155 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.228 4.133 -9.759 1.00 0.00 H new ATOM 643 N ARG A 43 -10.184 -1.330 -13.659 1.00 0.00 N ATOM 644 CA ARG A 43 -9.784 -2.001 -12.368 1.00 0.00 C ATOM 645 C ARG A 43 -8.317 -2.517 -12.416 1.00 0.00 C ATOM 646 O ARG A 43 -7.479 -2.110 -11.635 1.00 0.00 O ATOM 647 CB ARG A 43 -10.732 -3.177 -12.112 1.00 0.00 C ATOM 648 CG ARG A 43 -12.171 -2.683 -11.833 1.00 0.00 C ATOM 649 CD ARG A 43 -12.867 -3.733 -10.963 1.00 0.00 C ATOM 650 NE ARG A 43 -13.031 -4.999 -11.762 1.00 0.00 N ATOM 651 CZ ARG A 43 -13.728 -5.968 -11.306 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.132 -6.803 -10.552 1.00 0.00 N ATOM 653 NH2 ARG A 43 -14.949 -5.991 -11.654 1.00 0.00 N ATOM 0 H ARG A 43 -11.051 -1.681 -14.067 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.850 -1.269 -11.563 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.734 -3.841 -12.976 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.373 -3.759 -11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.152 -1.719 -11.326 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.714 -2.541 -12.767 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.280 -3.927 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.839 -3.366 -10.635 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.582 -5.084 -12.674 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.142 -6.681 -10.338 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.644 -7.594 -10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.319 -5.262 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.559 -6.739 -11.324 1.00 0.00 H new ATOM 667 N SER A 44 -8.060 -3.396 -13.360 1.00 0.00 N ATOM 668 CA SER A 44 -6.701 -4.034 -13.602 1.00 0.00 C ATOM 669 C SER A 44 -5.622 -2.928 -13.931 1.00 0.00 C ATOM 670 O SER A 44 -4.446 -3.075 -13.634 1.00 0.00 O ATOM 671 CB SER A 44 -6.822 -5.002 -14.811 1.00 0.00 C ATOM 672 OG SER A 44 -7.360 -4.175 -15.844 1.00 0.00 O ATOM 0 H SER A 44 -8.773 -3.720 -14.013 1.00 0.00 H new ATOM 0 HA SER A 44 -6.389 -4.571 -12.707 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.854 -5.417 -15.092 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.477 -5.844 -14.588 1.00 0.00 H new ATOM 0 HG SER A 44 -7.473 -4.704 -16.661 1.00 0.00 H new ATOM 678 N LYS A 45 -6.101 -1.866 -14.554 1.00 0.00 N ATOM 679 CA LYS A 45 -5.298 -0.645 -14.998 1.00 0.00 C ATOM 680 C LYS A 45 -4.827 0.326 -13.887 1.00 0.00 C ATOM 681 O LYS A 45 -3.678 0.233 -13.496 1.00 0.00 O ATOM 682 CB LYS A 45 -6.191 0.062 -16.024 1.00 0.00 C ATOM 683 CG LYS A 45 -5.649 1.420 -16.481 1.00 0.00 C ATOM 684 CD LYS A 45 -6.699 1.929 -17.516 1.00 0.00 C ATOM 685 CE LYS A 45 -6.592 3.409 -17.833 1.00 0.00 C ATOM 686 NZ LYS A 45 -6.888 4.228 -16.614 1.00 0.00 N ATOM 0 H LYS A 45 -7.090 -1.786 -14.792 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.344 -0.987 -15.400 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.310 -0.583 -16.894 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.182 0.203 -15.594 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.550 2.110 -15.643 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.662 1.322 -16.932 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.586 1.362 -18.440 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.699 1.722 -17.135 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.591 3.638 -18.198 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.289 3.668 -18.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.783 4.741 -16.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.969 3.603 -15.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.118 4.910 -16.459 1.00 0.00 H new ATOM 700 N TYR A 46 -5.666 1.223 -13.410 1.00 0.00 N ATOM 701 CA TYR A 46 -5.238 2.184 -12.317 1.00 0.00 C ATOM 702 C TYR A 46 -6.340 2.370 -11.240 1.00 0.00 C ATOM 703 O TYR A 46 -7.402 1.806 -11.378 1.00 0.00 O ATOM 704 CB TYR A 46 -4.886 3.610 -12.812 1.00 0.00 C ATOM 705 CG TYR A 46 -3.673 3.727 -13.746 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.504 3.061 -13.451 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.700 4.538 -14.865 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.390 3.200 -14.239 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.572 4.679 -15.662 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.408 4.003 -15.339 1.00 0.00 C ATOM 711 OH TYR A 46 -0.249 4.121 -16.075 1.00 0.00 O ATOM 0 H TYR A 46 -6.629 1.336 -13.726 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.344 1.709 -11.913 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.755 4.017 -13.328 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.709 4.240 -11.941 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.464 2.418 -12.584 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.606 5.066 -15.121 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.487 2.666 -13.984 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.603 5.316 -16.534 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.403 4.723 -16.833 1.00 0.00 H new ATOM 721 N GLY A 47 -6.062 3.158 -10.217 1.00 0.00 N ATOM 722 CA GLY A 47 -7.090 3.351 -9.126 1.00 0.00 C ATOM 723 C GLY A 47 -7.151 1.966 -8.452 1.00 0.00 C ATOM 724 O GLY A 47 -8.193 1.378 -8.267 1.00 0.00 O ATOM 0 H GLY A 47 -5.187 3.667 -10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.790 4.128 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.058 3.644 -9.532 1.00 0.00 H new ATOM 728 N TRP A 48 -6.011 1.467 -8.087 1.00 0.00 N ATOM 729 CA TRP A 48 -5.967 0.123 -7.460 1.00 0.00 C ATOM 730 C TRP A 48 -4.764 -0.338 -6.745 1.00 0.00 C ATOM 731 O TRP A 48 -3.926 -1.054 -7.258 1.00 0.00 O ATOM 732 CB TRP A 48 -6.238 -0.889 -8.498 1.00 0.00 C ATOM 733 CG TRP A 48 -6.506 -2.263 -7.952 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.553 -3.171 -7.585 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.731 -2.769 -7.814 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.310 -4.198 -7.255 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.602 -4.042 -7.356 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.989 -2.269 -8.045 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -8.656 -4.831 -7.117 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -10.084 -3.070 -7.807 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.890 -4.339 -7.344 1.00 0.00 C ATOM 0 H TRP A 48 -5.108 1.929 -8.195 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.710 0.238 -6.670 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.097 -0.569 -9.088 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.386 -0.938 -9.176 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.477 -3.074 -7.570 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.904 -5.077 -6.934 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.118 -1.260 -8.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.521 -5.838 -6.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.083 -2.699 -7.984 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.749 -4.966 -7.154 1.00 0.00 H new ATOM 752 N THR A 49 -4.696 0.103 -5.565 1.00 0.00 N ATOM 753 CA THR A 49 -3.566 -0.359 -4.793 1.00 0.00 C ATOM 754 C THR A 49 -3.963 -0.131 -3.390 1.00 0.00 C ATOM 755 O THR A 49 -4.237 1.009 -3.031 1.00 0.00 O ATOM 756 CB THR A 49 -2.322 0.430 -5.222 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.364 -0.462 -4.707 1.00 0.00 O ATOM 758 CG2 THR A 49 -2.000 1.688 -4.426 1.00 0.00 C ATOM 0 H THR A 49 -5.347 0.742 -5.108 1.00 0.00 H new ATOM 0 HA THR A 49 -3.311 -1.409 -4.938 1.00 0.00 H new ATOM 0 HB THR A 49 -2.395 0.719 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.472 -0.196 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.100 2.153 -4.828 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.833 2.388 -4.499 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.837 1.425 -3.381 1.00 0.00 H new ATOM 766 N ALA A 50 -4.042 -1.215 -2.641 1.00 0.00 N ATOM 767 CA ALA A 50 -4.420 -0.774 -1.213 1.00 0.00 C ATOM 768 C ALA A 50 -3.030 -0.357 -0.751 1.00 0.00 C ATOM 769 O ALA A 50 -2.182 -1.207 -0.678 1.00 0.00 O ATOM 770 CB ALA A 50 -4.878 -1.885 -0.213 1.00 0.00 C ATOM 0 H ALA A 50 -3.899 -2.199 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.256 -0.075 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.112 -1.433 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.764 -2.384 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.077 -2.614 -0.087 1.00 0.00 H new ATOM 776 N PHE A 51 -2.868 0.913 -0.457 1.00 0.00 N ATOM 777 CA PHE A 51 -1.543 1.481 -0.014 1.00 0.00 C ATOM 778 C PHE A 51 -1.272 1.553 1.526 1.00 0.00 C ATOM 779 O PHE A 51 -2.110 2.019 2.277 1.00 0.00 O ATOM 780 CB PHE A 51 -1.426 2.950 -0.705 1.00 0.00 C ATOM 781 CG PHE A 51 -0.105 3.598 -0.224 1.00 0.00 C ATOM 782 CD1 PHE A 51 0.007 4.199 1.021 1.00 0.00 C ATOM 783 CD2 PHE A 51 1.005 3.555 -1.039 1.00 0.00 C ATOM 784 CE1 PHE A 51 1.209 4.741 1.440 1.00 0.00 C ATOM 785 CE2 PHE A 51 2.205 4.096 -0.622 1.00 0.00 C ATOM 786 CZ PHE A 51 2.309 4.688 0.616 1.00 0.00 C ATOM 0 H PHE A 51 -3.619 1.602 -0.506 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.770 0.784 -0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.435 2.862 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.278 3.571 -0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.854 4.244 1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.936 3.094 -2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.283 5.205 2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.067 4.054 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.250 5.109 0.939 1.00 0.00 H new ATOM 796 N CYS A 52 -0.105 1.112 1.962 1.00 0.00 N ATOM 797 CA CYS A 52 0.222 1.149 3.448 1.00 0.00 C ATOM 798 C CYS A 52 1.730 1.423 3.822 1.00 0.00 C ATOM 799 O CYS A 52 2.450 0.550 4.282 1.00 0.00 O ATOM 800 CB CYS A 52 -0.297 -0.218 4.052 1.00 0.00 C ATOM 801 SG CYS A 52 -1.123 -1.424 2.981 1.00 0.00 S ATOM 0 H CYS A 52 0.631 0.732 1.367 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.278 2.015 3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.559 -0.719 4.505 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.987 0.025 4.860 1.00 0.00 H new ATOM 806 N GLY A 53 2.149 2.644 3.600 1.00 0.00 N ATOM 807 CA GLY A 53 3.569 3.070 3.900 1.00 0.00 C ATOM 808 C GLY A 53 3.703 4.302 4.821 1.00 0.00 C ATOM 809 O GLY A 53 2.733 4.973 5.116 1.00 0.00 O ATOM 0 H GLY A 53 1.562 3.384 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.093 2.233 4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.074 3.283 2.958 1.00 0.00 H new ATOM 813 N PRO A 54 4.923 4.575 5.249 1.00 0.00 N ATOM 814 CA PRO A 54 5.199 5.515 6.376 1.00 0.00 C ATOM 815 C PRO A 54 4.617 6.933 6.182 1.00 0.00 C ATOM 816 O PRO A 54 4.021 7.468 7.093 1.00 0.00 O ATOM 817 CB PRO A 54 6.757 5.468 6.516 1.00 0.00 C ATOM 818 CG PRO A 54 7.268 4.986 5.135 1.00 0.00 C ATOM 819 CD PRO A 54 6.178 4.005 4.660 1.00 0.00 C ATOM 0 HA PRO A 54 4.695 5.215 7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.161 6.449 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.062 4.786 7.310 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.388 5.818 4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.238 4.497 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.126 3.957 3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.366 2.992 5.016 1.00 0.00 H new ATOM 827 N ALA A 55 4.800 7.509 5.023 1.00 0.00 N ATOM 828 CA ALA A 55 4.270 8.883 4.738 1.00 0.00 C ATOM 829 C ALA A 55 3.374 8.879 3.467 1.00 0.00 C ATOM 830 O ALA A 55 3.849 9.144 2.374 1.00 0.00 O ATOM 831 CB ALA A 55 5.500 9.810 4.587 1.00 0.00 C ATOM 0 H ALA A 55 5.303 7.080 4.246 1.00 0.00 H new ATOM 0 HA ALA A 55 3.632 9.240 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.166 10.826 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.078 9.801 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.123 9.457 3.766 1.00 0.00 H new ATOM 837 N GLY A 56 2.116 8.554 3.654 1.00 0.00 N ATOM 838 CA GLY A 56 1.152 8.515 2.500 1.00 0.00 C ATOM 839 C GLY A 56 -0.348 8.579 2.847 1.00 0.00 C ATOM 840 O GLY A 56 -1.066 7.692 2.437 1.00 0.00 O ATOM 0 H GLY A 56 1.711 8.313 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.383 9.348 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.332 7.599 1.937 1.00 0.00 H new ATOM 844 N PRO A 57 -0.820 9.582 3.556 1.00 0.00 N ATOM 845 CA PRO A 57 -2.285 9.694 3.875 1.00 0.00 C ATOM 846 C PRO A 57 -3.087 10.128 2.608 1.00 0.00 C ATOM 847 O PRO A 57 -3.142 11.282 2.236 1.00 0.00 O ATOM 848 CB PRO A 57 -2.298 10.721 5.010 1.00 0.00 C ATOM 849 CG PRO A 57 -1.175 11.689 4.537 1.00 0.00 C ATOM 850 CD PRO A 57 -0.037 10.714 4.122 1.00 0.00 C ATOM 0 HA PRO A 57 -2.766 8.763 4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.262 11.221 5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.076 10.271 5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.501 12.310 3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.860 12.364 5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.637 11.156 3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.573 10.408 4.972 1.00 0.00 H new ATOM 858 N ARG A 58 -3.701 9.175 1.962 1.00 0.00 N ATOM 859 CA ARG A 58 -4.493 9.471 0.736 1.00 0.00 C ATOM 860 C ARG A 58 -5.697 8.517 0.571 1.00 0.00 C ATOM 861 O ARG A 58 -5.600 7.565 -0.174 1.00 0.00 O ATOM 862 CB ARG A 58 -3.500 9.343 -0.381 1.00 0.00 C ATOM 863 CG ARG A 58 -3.925 10.192 -1.619 1.00 0.00 C ATOM 864 CD ARG A 58 -3.175 11.526 -1.508 1.00 0.00 C ATOM 865 NE ARG A 58 -3.523 12.362 -2.712 1.00 0.00 N ATOM 866 CZ ARG A 58 -3.255 13.612 -2.749 1.00 0.00 C ATOM 867 NH1 ARG A 58 -2.080 13.915 -3.096 1.00 0.00 N ATOM 868 NH2 ARG A 58 -4.167 14.443 -2.437 1.00 0.00 N ATOM 0 H ARG A 58 -3.687 8.192 2.235 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.948 10.461 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.518 9.666 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.408 8.296 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.671 9.680 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.003 10.352 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.455 12.045 -0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.099 11.355 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.980 11.924 -3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.411 13.180 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.800 14.894 -3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.091 14.108 -2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.974 15.444 -2.460 1.00 0.00 H new ATOM 882 N GLY A 59 -6.796 8.741 1.243 1.00 0.00 N ATOM 883 CA GLY A 59 -7.968 7.801 1.066 1.00 0.00 C ATOM 884 C GLY A 59 -9.077 8.510 0.301 1.00 0.00 C ATOM 885 O GLY A 59 -9.145 8.421 -0.913 1.00 0.00 O ATOM 0 H GLY A 59 -6.942 9.512 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.653 6.908 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.335 7.473 2.039 1.00 0.00 H new ATOM 889 N GLN A 60 -9.910 9.201 1.044 1.00 0.00 N ATOM 890 CA GLN A 60 -11.074 9.978 0.475 1.00 0.00 C ATOM 891 C GLN A 60 -10.861 10.413 -1.003 1.00 0.00 C ATOM 892 O GLN A 60 -11.429 9.886 -1.936 1.00 0.00 O ATOM 893 CB GLN A 60 -11.317 11.261 1.375 1.00 0.00 C ATOM 894 CG GLN A 60 -11.686 10.885 2.846 1.00 0.00 C ATOM 895 CD GLN A 60 -11.939 12.115 3.740 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.096 11.996 4.932 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.995 13.318 3.265 1.00 0.00 N ATOM 0 H GLN A 60 -9.832 9.264 2.059 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.941 9.318 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.420 11.880 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.118 11.860 0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.577 10.257 2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.880 10.291 3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.870 13.478 2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.165 14.106 3.890 1.00 0.00 H new ATOM 906 N ALA A 61 -10.005 11.391 -1.133 1.00 0.00 N ATOM 907 CA ALA A 61 -9.631 11.988 -2.458 1.00 0.00 C ATOM 908 C ALA A 61 -8.425 11.302 -3.165 1.00 0.00 C ATOM 909 O ALA A 61 -7.581 11.930 -3.783 1.00 0.00 O ATOM 910 CB ALA A 61 -9.387 13.475 -2.155 1.00 0.00 C ATOM 0 H ALA A 61 -9.527 11.821 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.427 11.838 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.107 13.992 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.298 13.918 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.583 13.570 -1.425 1.00 0.00 H new ATOM 916 N ALA A 62 -8.397 10.009 -3.041 1.00 0.00 N ATOM 917 CA ALA A 62 -7.325 9.169 -3.656 1.00 0.00 C ATOM 918 C ALA A 62 -8.017 8.338 -4.734 1.00 0.00 C ATOM 919 O ALA A 62 -7.554 8.339 -5.851 1.00 0.00 O ATOM 920 CB ALA A 62 -6.727 8.293 -2.567 1.00 0.00 C ATOM 0 H ALA A 62 -9.095 9.477 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.515 9.751 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.941 7.669 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.306 8.923 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.505 7.657 -2.143 1.00 0.00 H new ATOM 926 N CYS A 63 -9.071 7.686 -4.321 1.00 0.00 N ATOM 927 CA CYS A 63 -9.931 6.812 -5.184 1.00 0.00 C ATOM 928 C CYS A 63 -9.874 7.256 -6.681 1.00 0.00 C ATOM 929 O CYS A 63 -10.709 8.011 -7.145 1.00 0.00 O ATOM 930 CB CYS A 63 -11.339 6.915 -4.530 1.00 0.00 C ATOM 931 SG CYS A 63 -12.755 5.840 -4.907 1.00 0.00 S ATOM 0 H CYS A 63 -9.392 7.727 -3.354 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.603 5.773 -5.226 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.175 6.826 -3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.680 7.933 -4.717 1.00 0.00 H new ATOM 936 N GLY A 64 -8.876 6.800 -7.400 1.00 0.00 N ATOM 937 CA GLY A 64 -8.770 7.193 -8.855 1.00 0.00 C ATOM 938 C GLY A 64 -7.408 7.715 -9.287 1.00 0.00 C ATOM 939 O GLY A 64 -7.175 7.854 -10.471 1.00 0.00 O ATOM 0 H GLY A 64 -8.139 6.184 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.021 6.327 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.518 7.958 -9.064 1.00 0.00 H new ATOM 943 N LYS A 65 -6.552 8.001 -8.351 1.00 0.00 N ATOM 944 CA LYS A 65 -5.192 8.509 -8.688 1.00 0.00 C ATOM 945 C LYS A 65 -4.246 7.310 -8.935 1.00 0.00 C ATOM 946 O LYS A 65 -4.640 6.159 -8.946 1.00 0.00 O ATOM 947 CB LYS A 65 -4.686 9.377 -7.498 1.00 0.00 C ATOM 948 CG LYS A 65 -5.504 10.662 -7.431 1.00 0.00 C ATOM 949 CD LYS A 65 -4.946 11.543 -6.295 1.00 0.00 C ATOM 950 CE LYS A 65 -5.831 12.781 -6.186 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.605 13.651 -7.390 1.00 0.00 N ATOM 0 H LYS A 65 -6.737 7.904 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.218 9.117 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.779 8.824 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.629 9.611 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.452 11.193 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.554 10.433 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.940 10.994 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.915 11.828 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.880 12.490 -6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.598 13.331 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.951 14.612 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.588 13.687 -7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.119 13.257 -8.204 1.00 0.00 H new ATOM 965 N CYS A 66 -3.006 7.667 -9.138 1.00 0.00 N ATOM 966 CA CYS A 66 -1.877 6.742 -9.392 1.00 0.00 C ATOM 967 C CYS A 66 -0.686 7.139 -8.449 1.00 0.00 C ATOM 968 O CYS A 66 -0.652 8.201 -7.857 1.00 0.00 O ATOM 969 CB CYS A 66 -1.573 6.893 -10.899 1.00 0.00 C ATOM 970 SG CYS A 66 -2.671 5.982 -12.018 1.00 0.00 S ATOM 0 H CYS A 66 -2.718 8.646 -9.136 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.085 5.695 -9.173 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.620 7.951 -11.156 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.549 6.566 -11.079 1.00 0.00 H new ATOM 975 N LEU A 67 0.300 6.300 -8.295 1.00 0.00 N ATOM 976 CA LEU A 67 1.462 6.669 -7.390 1.00 0.00 C ATOM 977 C LEU A 67 2.694 6.455 -8.267 1.00 0.00 C ATOM 978 O LEU A 67 2.700 5.456 -8.947 1.00 0.00 O ATOM 979 CB LEU A 67 1.437 5.709 -6.145 1.00 0.00 C ATOM 980 CG LEU A 67 2.075 6.340 -4.874 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.953 5.337 -3.694 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.574 6.614 -5.050 1.00 0.00 C ATOM 0 H LEU A 67 0.366 5.386 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 67 1.436 7.687 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.405 5.433 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.968 4.789 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 67 1.550 7.277 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.398 5.772 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.901 5.121 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.474 4.413 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.973 7.054 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.093 5.678 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.723 7.304 -5.880 1.00 0.00 H new ATOM 994 N ARG A 68 3.684 7.295 -8.278 1.00 0.00 N ATOM 995 CA ARG A 68 4.836 6.992 -9.164 1.00 0.00 C ATOM 996 C ARG A 68 5.965 6.571 -8.221 1.00 0.00 C ATOM 997 O ARG A 68 6.335 7.257 -7.280 1.00 0.00 O ATOM 998 CB ARG A 68 5.231 8.247 -9.959 1.00 0.00 C ATOM 999 CG ARG A 68 6.513 7.914 -10.772 1.00 0.00 C ATOM 1000 CD ARG A 68 7.162 9.202 -11.237 1.00 0.00 C ATOM 1001 NE ARG A 68 8.362 8.818 -12.064 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.455 9.357 -13.220 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.851 8.777 -14.170 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.119 10.427 -13.361 1.00 0.00 N ATOM 0 H ARG A 68 3.748 8.153 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 68 4.607 6.213 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.423 8.546 -10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.413 9.084 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.209 7.344 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.261 7.290 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.462 9.796 -11.825 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.460 9.813 -10.385 1.00 0.00 H new ATOM 0 HE ARG A 68 9.063 8.162 -11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.323 7.922 -13.993 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.892 9.165 -15.113 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.576 10.854 -12.555 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.197 10.862 -14.281 1.00 0.00 H new ATOM 1018 N VAL A 69 6.462 5.418 -8.558 1.00 0.00 N ATOM 1019 CA VAL A 69 7.565 4.791 -7.790 1.00 0.00 C ATOM 1020 C VAL A 69 8.737 4.496 -8.720 1.00 0.00 C ATOM 1021 O VAL A 69 8.569 3.888 -9.763 1.00 0.00 O ATOM 1022 CB VAL A 69 7.045 3.480 -7.160 1.00 0.00 C ATOM 1023 CG1 VAL A 69 8.142 2.853 -6.264 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.803 3.769 -6.313 1.00 0.00 C ATOM 0 H VAL A 69 6.140 4.870 -9.356 1.00 0.00 H new ATOM 0 HA VAL A 69 7.905 5.466 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 69 6.788 2.783 -7.957 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.768 1.929 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.024 2.636 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.407 3.552 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.440 2.841 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.059 4.473 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.025 4.199 -6.943 1.00 0.00 H new ATOM 1034 N THR A 70 9.884 4.939 -8.282 1.00 0.00 N ATOM 1035 CA THR A 70 11.149 4.720 -9.079 1.00 0.00 C ATOM 1036 C THR A 70 12.162 4.016 -8.138 1.00 0.00 C ATOM 1037 O THR A 70 12.145 4.214 -6.934 1.00 0.00 O ATOM 1038 CB THR A 70 11.716 6.093 -9.596 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.906 6.510 -10.710 1.00 0.00 O ATOM 1040 CG2 THR A 70 13.160 5.884 -10.156 1.00 0.00 C ATOM 0 H THR A 70 10.011 5.446 -7.406 1.00 0.00 H new ATOM 0 HA THR A 70 10.957 4.104 -9.958 1.00 0.00 H new ATOM 0 HB THR A 70 11.715 6.819 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.237 7.367 -11.052 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.553 6.836 -10.514 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.805 5.500 -9.366 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.131 5.170 -10.979 1.00 0.00 H new ATOM 1048 N ASN A 71 13.021 3.217 -8.720 1.00 0.00 N ATOM 1049 CA ASN A 71 14.078 2.427 -7.996 1.00 0.00 C ATOM 1050 C ASN A 71 15.555 2.862 -8.291 1.00 0.00 C ATOM 1051 O ASN A 71 16.151 2.383 -9.245 1.00 0.00 O ATOM 1052 CB ASN A 71 13.847 0.928 -8.387 1.00 0.00 C ATOM 1053 CG ASN A 71 14.896 0.027 -7.718 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.829 0.506 -7.110 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.836 -1.266 -7.773 1.00 0.00 N ATOM 0 H ASN A 71 13.035 3.070 -9.729 1.00 0.00 H new ATOM 0 HA ASN A 71 13.970 2.607 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.847 0.618 -8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.901 0.816 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.554 -1.830 -7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.071 -1.720 -8.272 1.00 0.00 H new ATOM 1062 N PRO A 72 16.115 3.731 -7.464 1.00 0.00 N ATOM 1063 CA PRO A 72 17.434 4.384 -7.738 1.00 0.00 C ATOM 1064 C PRO A 72 18.587 3.373 -7.895 1.00 0.00 C ATOM 1065 O PRO A 72 19.673 3.746 -8.291 1.00 0.00 O ATOM 1066 CB PRO A 72 17.659 5.345 -6.552 1.00 0.00 C ATOM 1067 CG PRO A 72 16.241 5.570 -5.977 1.00 0.00 C ATOM 1068 CD PRO A 72 15.557 4.199 -6.156 1.00 0.00 C ATOM 0 HA PRO A 72 17.420 4.911 -8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.327 4.911 -5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.111 6.282 -6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.276 5.867 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.710 6.356 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.799 3.515 -5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.471 4.287 -6.186 1.00 0.00 H new ATOM 1076 N ALA A 73 18.329 2.124 -7.583 1.00 0.00 N ATOM 1077 CA ALA A 73 19.384 1.075 -7.696 1.00 0.00 C ATOM 1078 C ALA A 73 19.558 0.578 -9.147 1.00 0.00 C ATOM 1079 O ALA A 73 20.665 0.312 -9.566 1.00 0.00 O ATOM 1080 CB ALA A 73 18.976 -0.069 -6.744 1.00 0.00 C ATOM 0 H ALA A 73 17.424 1.788 -7.253 1.00 0.00 H new ATOM 0 HA ALA A 73 20.355 1.483 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.720 -0.864 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.915 0.311 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.005 -0.463 -7.043 1.00 0.00 H new ATOM 1086 N THR A 74 18.482 0.470 -9.874 1.00 0.00 N ATOM 1087 CA THR A 74 18.579 -0.013 -11.305 1.00 0.00 C ATOM 1088 C THR A 74 18.140 1.069 -12.291 1.00 0.00 C ATOM 1089 O THR A 74 18.611 1.128 -13.413 1.00 0.00 O ATOM 1090 CB THR A 74 17.678 -1.240 -11.528 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.402 -0.709 -11.189 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.890 -2.332 -10.461 1.00 0.00 C ATOM 0 H THR A 74 17.539 0.691 -9.554 1.00 0.00 H new ATOM 0 HA THR A 74 19.624 -0.269 -11.478 1.00 0.00 H new ATOM 0 HB THR A 74 17.838 -1.666 -12.519 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.720 -1.405 -11.292 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.230 -3.174 -10.666 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.926 -2.669 -10.486 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.664 -1.926 -9.475 1.00 0.00 H new ATOM 1100 N GLY A 75 17.243 1.907 -11.842 1.00 0.00 N ATOM 1101 CA GLY A 75 16.722 3.009 -12.714 1.00 0.00 C ATOM 1102 C GLY A 75 15.286 2.682 -13.100 1.00 0.00 C ATOM 1103 O GLY A 75 14.610 3.490 -13.696 1.00 0.00 O ATOM 0 H GLY A 75 16.845 1.878 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.765 3.962 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.340 3.111 -13.606 1.00 0.00 H new ATOM 1107 N ALA A 76 14.865 1.491 -12.751 1.00 0.00 N ATOM 1108 CA ALA A 76 13.478 1.029 -13.061 1.00 0.00 C ATOM 1109 C ALA A 76 12.421 1.899 -12.357 1.00 0.00 C ATOM 1110 O ALA A 76 12.672 2.500 -11.329 1.00 0.00 O ATOM 1111 CB ALA A 76 13.386 -0.455 -12.603 1.00 0.00 C ATOM 0 H ALA A 76 15.436 0.807 -12.255 1.00 0.00 H new ATOM 0 HA ALA A 76 13.275 1.118 -14.128 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.387 -0.838 -12.810 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.122 -1.049 -13.145 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.585 -0.519 -11.533 1.00 0.00 H new ATOM 1117 N GLN A 77 11.257 1.960 -12.935 1.00 0.00 N ATOM 1118 CA GLN A 77 10.155 2.765 -12.337 1.00 0.00 C ATOM 1119 C GLN A 77 8.797 2.307 -12.882 1.00 0.00 C ATOM 1120 O GLN A 77 8.727 1.755 -13.964 1.00 0.00 O ATOM 1121 CB GLN A 77 10.455 4.254 -12.653 1.00 0.00 C ATOM 1122 CG GLN A 77 10.755 4.490 -14.162 1.00 0.00 C ATOM 1123 CD GLN A 77 10.881 5.986 -14.396 1.00 0.00 C ATOM 1124 OE1 GLN A 77 11.697 6.669 -13.817 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.083 6.558 -15.231 1.00 0.00 N ATOM 0 H GLN A 77 11.018 1.483 -13.804 1.00 0.00 H new ATOM 0 HA GLN A 77 10.102 2.629 -11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.603 4.865 -12.355 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.308 4.584 -12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.675 3.982 -14.450 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.956 4.076 -14.777 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.387 6.005 -15.731 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.148 7.563 -15.391 1.00 0.00 H new ATOM 1134 N ILE A 78 7.771 2.545 -12.108 1.00 0.00 N ATOM 1135 CA ILE A 78 6.359 2.167 -12.478 1.00 0.00 C ATOM 1136 C ILE A 78 5.249 3.126 -11.918 1.00 0.00 C ATOM 1137 O ILE A 78 5.576 4.054 -11.198 1.00 0.00 O ATOM 1138 CB ILE A 78 6.220 0.771 -11.948 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.298 -0.089 -12.832 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.720 0.826 -10.491 1.00 0.00 C ATOM 1141 CD1 ILE A 78 6.145 -0.660 -14.002 1.00 0.00 C ATOM 0 H ILE A 78 7.850 3.002 -11.200 1.00 0.00 H new ATOM 0 HA ILE A 78 6.205 2.245 -13.554 1.00 0.00 H new ATOM 0 HB ILE A 78 7.198 0.290 -11.969 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.859 -0.899 -12.249 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.473 0.510 -13.217 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.618 -0.187 -10.103 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.436 1.378 -9.881 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.752 1.327 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.513 -1.274 -14.643 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.563 0.162 -14.584 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.955 -1.269 -13.601 1.00 0.00 H new ATOM 1153 N THR A 79 3.995 2.869 -12.236 1.00 0.00 N ATOM 1154 CA THR A 79 2.853 3.730 -11.737 1.00 0.00 C ATOM 1155 C THR A 79 1.763 2.878 -11.001 1.00 0.00 C ATOM 1156 O THR A 79 1.195 1.962 -11.578 1.00 0.00 O ATOM 1157 CB THR A 79 2.170 4.466 -12.929 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.133 5.383 -13.448 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.082 5.393 -12.450 1.00 0.00 C ATOM 0 H THR A 79 3.707 2.090 -12.828 1.00 0.00 H new ATOM 0 HA THR A 79 3.279 4.448 -11.036 1.00 0.00 H new ATOM 0 HB THR A 79 1.794 3.711 -13.620 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.746 5.870 -14.205 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.626 5.891 -13.305 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.324 4.819 -11.917 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.509 6.140 -11.781 1.00 0.00 H new ATOM 1167 N ALA A 80 1.478 3.175 -9.758 1.00 0.00 N ATOM 1168 CA ALA A 80 0.425 2.391 -8.990 1.00 0.00 C ATOM 1169 C ALA A 80 -0.957 2.953 -9.297 1.00 0.00 C ATOM 1170 O ALA A 80 -1.067 3.965 -9.964 1.00 0.00 O ATOM 1171 CB ALA A 80 0.560 2.513 -7.477 1.00 0.00 C ATOM 0 H ALA A 80 1.922 3.925 -9.229 1.00 0.00 H new ATOM 0 HA ALA A 80 0.561 1.354 -9.298 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.223 1.929 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.536 2.138 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.464 3.559 -7.186 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.953 2.269 -8.788 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.325 2.662 -8.982 1.00 0.00 C ATOM 1179 C ARG A 81 -3.739 3.129 -7.526 1.00 0.00 C ATOM 1180 O ARG A 81 -3.886 2.240 -6.711 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.873 1.311 -9.528 1.00 0.00 C ATOM 1182 CG ARG A 81 -2.931 0.485 -10.421 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.287 -0.667 -9.579 1.00 0.00 C ATOM 1184 NE ARG A 81 -1.398 -1.496 -10.450 1.00 0.00 N ATOM 1185 CZ ARG A 81 -1.162 -1.146 -11.656 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -0.269 -0.280 -11.936 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -1.871 -1.715 -12.537 1.00 0.00 N ATOM 0 H ARG A 81 -1.834 1.425 -8.228 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.646 3.463 -9.648 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.161 0.694 -8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.781 1.518 -10.094 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.484 0.069 -11.263 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.152 1.125 -10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.713 -0.248 -8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.067 -1.290 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.977 -2.347 -10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.276 0.150 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.100 -0.018 -12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.573 -2.402 -12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.740 -1.487 -13.523 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.942 4.361 -7.142 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.326 4.572 -5.688 1.00 0.00 C ATOM 1203 C ILE A 82 -5.838 4.542 -5.379 1.00 0.00 C ATOM 1204 O ILE A 82 -6.629 5.187 -6.044 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.790 5.909 -5.204 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.284 5.969 -5.550 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.991 5.978 -3.642 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.764 7.306 -5.036 1.00 0.00 C ATOM 0 H ILE A 82 -3.868 5.196 -7.722 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.885 3.720 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.308 6.745 -5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.748 5.142 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.131 5.883 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.614 6.930 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.052 5.891 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.447 5.161 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.701 7.393 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.304 8.118 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.915 7.365 -3.958 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.219 3.804 -4.367 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.692 3.770 -4.048 1.00 0.00 C ATOM 1222 C VAL A 83 -8.030 3.378 -2.583 1.00 0.00 C ATOM 1223 O VAL A 83 -8.865 4.005 -1.947 1.00 0.00 O ATOM 1224 CB VAL A 83 -8.374 2.788 -5.108 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.155 1.327 -4.802 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.889 2.979 -5.196 1.00 0.00 C ATOM 0 H VAL A 83 -5.612 3.245 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.091 4.781 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.888 3.054 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.645 0.719 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.086 1.112 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.575 1.093 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.301 2.287 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.338 2.784 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.110 4.003 -5.498 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.349 2.362 -2.090 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.598 1.882 -0.695 1.00 0.00 C ATOM 1238 C ASP A 84 -6.472 2.302 0.256 1.00 0.00 C ATOM 1239 O ASP A 84 -5.303 2.289 -0.083 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.715 0.306 -0.661 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.670 -0.395 -2.011 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -6.765 -0.102 -2.758 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -8.538 -1.211 -2.233 1.00 0.00 O ATOM 0 H ASP A 84 -6.631 1.847 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.533 2.336 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.907 -0.085 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.650 0.041 -0.167 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.893 2.642 1.438 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.922 3.072 2.492 1.00 0.00 C ATOM 1250 C GLN A 85 -5.933 1.932 3.507 1.00 0.00 C ATOM 1251 O GLN A 85 -6.954 1.676 4.123 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.406 4.398 3.136 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.450 4.786 4.326 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.912 6.064 5.022 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -5.227 7.063 5.050 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -7.068 6.094 5.604 1.00 0.00 N ATOM 0 H GLN A 85 -7.871 2.643 1.727 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.921 3.258 2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.417 5.193 2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.428 4.286 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.416 3.970 5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.436 4.922 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.665 5.267 5.595 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.382 6.945 6.071 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.806 1.295 3.665 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.727 0.159 4.634 1.00 0.00 C ATOM 1267 C CYS A 86 -3.969 0.561 5.913 1.00 0.00 C ATOM 1268 O CYS A 86 -3.358 1.608 5.979 1.00 0.00 O ATOM 1269 CB CYS A 86 -4.072 -1.020 3.827 1.00 0.00 C ATOM 1270 SG CYS A 86 -2.908 -0.604 2.505 1.00 0.00 S ATOM 0 H CYS A 86 -3.940 1.508 3.170 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.702 -0.149 5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.553 -1.663 4.538 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.876 -1.612 3.390 1.00 0.00 H new ATOM 1275 N ALA A 87 -4.050 -0.295 6.899 1.00 0.00 N ATOM 1276 CA ALA A 87 -3.371 -0.042 8.217 1.00 0.00 C ATOM 1277 C ALA A 87 -2.317 -1.095 8.623 1.00 0.00 C ATOM 1278 O ALA A 87 -1.602 -0.907 9.589 1.00 0.00 O ATOM 1279 CB ALA A 87 -4.500 0.063 9.269 1.00 0.00 C ATOM 0 H ALA A 87 -4.565 -1.174 6.851 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.786 0.875 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.066 0.247 10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.166 0.885 9.007 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.065 -0.869 9.291 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.239 -2.173 7.893 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.239 -3.240 8.215 1.00 0.00 C ATOM 1287 C ASN A 88 0.022 -2.944 7.385 1.00 0.00 C ATOM 1288 O ASN A 88 -0.060 -2.654 6.210 1.00 0.00 O ATOM 1289 CB ASN A 88 -1.844 -4.622 7.835 1.00 0.00 C ATOM 1290 CG ASN A 88 -2.313 -4.568 6.394 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -3.270 -3.888 6.095 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.692 -5.236 5.476 1.00 0.00 N ATOM 0 H ASN A 88 -2.827 -2.365 7.082 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.987 -3.258 9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.099 -5.408 7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.677 -4.864 8.495 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.009 -5.188 4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.885 -5.811 5.721 1.00 0.00 H new ATOM 1299 N GLY A 89 1.155 -3.016 8.033 1.00 0.00 N ATOM 1300 CA GLY A 89 2.467 -2.750 7.328 1.00 0.00 C ATOM 1301 C GLY A 89 2.568 -3.376 5.928 1.00 0.00 C ATOM 1302 O GLY A 89 2.636 -4.585 5.832 1.00 0.00 O ATOM 0 H GLY A 89 1.239 -3.247 9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.609 -1.673 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.281 -3.131 7.944 1.00 0.00 H new ATOM 1306 N GLY A 90 2.568 -2.584 4.883 1.00 0.00 N ATOM 1307 CA GLY A 90 2.673 -3.171 3.493 1.00 0.00 C ATOM 1308 C GLY A 90 3.206 -2.160 2.508 1.00 0.00 C ATOM 1309 O GLY A 90 4.384 -1.885 2.540 1.00 0.00 O ATOM 0 H GLY A 90 2.501 -1.567 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.328 -4.042 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.692 -3.517 3.167 1.00 0.00 H new ATOM 1313 N LEU A 91 2.303 -1.685 1.695 1.00 0.00 N ATOM 1314 CA LEU A 91 2.598 -0.639 0.628 1.00 0.00 C ATOM 1315 C LEU A 91 1.610 -0.522 -0.484 1.00 0.00 C ATOM 1316 O LEU A 91 1.347 0.542 -1.004 1.00 0.00 O ATOM 1317 CB LEU A 91 4.060 -0.828 -0.052 1.00 0.00 C ATOM 1318 CG LEU A 91 4.873 0.511 0.071 1.00 0.00 C ATOM 1319 CD1 LEU A 91 6.350 0.306 -0.316 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.303 1.586 -0.896 1.00 0.00 C ATOM 0 H LEU A 91 1.327 -1.982 1.715 1.00 0.00 H new ATOM 0 HA LEU A 91 2.541 0.278 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.599 -1.639 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.952 -1.105 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 91 4.792 0.831 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.886 1.251 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.800 -0.435 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.411 -0.043 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.879 2.506 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.370 1.225 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.260 1.782 -0.648 1.00 0.00 H new ATOM 1332 N ASP A 92 1.108 -1.669 -0.740 1.00 0.00 N ATOM 1333 CA ASP A 92 0.056 -1.905 -1.844 1.00 0.00 C ATOM 1334 C ASP A 92 -0.935 -3.157 -1.899 1.00 0.00 C ATOM 1335 O ASP A 92 -0.651 -4.209 -1.371 1.00 0.00 O ATOM 1336 CB ASP A 92 0.811 -1.851 -3.170 1.00 0.00 C ATOM 1337 CG ASP A 92 1.952 -2.844 -3.238 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.654 -4.024 -3.225 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.059 -2.344 -3.310 1.00 0.00 O ATOM 0 H ASP A 92 1.366 -2.516 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.669 -1.129 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.116 -2.047 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.202 -0.845 -3.319 1.00 0.00 H new ATOM 1344 N LEU A 93 -2.108 -3.091 -2.521 1.00 0.00 N ATOM 1345 CA LEU A 93 -3.017 -4.323 -2.565 1.00 0.00 C ATOM 1346 C LEU A 93 -2.934 -4.685 -4.035 1.00 0.00 C ATOM 1347 O LEU A 93 -3.895 -4.727 -4.746 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.605 -4.061 -2.141 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.775 -4.351 -3.141 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -7.061 -4.425 -2.293 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.925 -3.096 -4.172 1.00 0.00 C ATOM 0 H LEU A 93 -2.474 -2.263 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.697 -5.079 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.797 -4.655 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.687 -3.013 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.594 -5.267 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.914 -4.626 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.967 -5.225 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.213 -3.476 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.738 -3.294 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.142 -2.187 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.995 -2.967 -4.726 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.719 -4.801 -4.445 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.280 -5.165 -5.825 1.00 0.00 C ATOM 1365 C ASP A 94 -1.066 -6.677 -6.162 1.00 0.00 C ATOM 1366 O ASP A 94 -1.256 -7.602 -5.401 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.006 -4.229 -6.111 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.451 -2.788 -6.531 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.607 -2.640 -6.900 1.00 0.00 O ATOM 1370 OD2 ASP A 94 0.337 -1.845 -6.497 1.00 0.00 O ATOM 0 H ASP A 94 -0.929 -4.643 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.105 -4.983 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.618 -4.175 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.604 -4.670 -6.900 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.627 -6.902 -7.361 1.00 0.00 N ATOM 1376 CA TRP A 95 -0.294 -8.288 -7.870 1.00 0.00 C ATOM 1377 C TRP A 95 1.200 -7.944 -8.007 1.00 0.00 C ATOM 1378 O TRP A 95 1.900 -8.094 -8.997 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.915 -8.614 -9.263 1.00 0.00 C ATOM 1380 CG TRP A 95 -0.149 -9.860 -9.749 1.00 0.00 C ATOM 1381 CD1 TRP A 95 0.095 -10.972 -8.993 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.408 -10.024 -10.967 1.00 0.00 C ATOM 1383 NE1 TRP A 95 0.787 -11.736 -9.810 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.025 -11.253 -11.016 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.447 -9.199 -12.074 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.677 -11.667 -12.150 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.101 -9.610 -13.222 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.718 -10.847 -13.259 1.00 0.00 C ATOM 0 H TRP A 95 -0.474 -6.164 -8.048 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.618 -9.143 -7.276 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.984 -8.812 -9.184 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.796 -7.780 -9.955 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.206 -11.174 -7.976 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.123 -12.656 -9.526 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.033 -8.232 -12.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.158 -12.634 -12.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.130 -8.965 -14.088 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.230 -11.170 -14.153 1.00 0.00 H new ATOM 1399 N ASP A 96 1.624 -7.440 -6.871 1.00 0.00 N ATOM 1400 CA ASP A 96 2.982 -6.963 -6.583 1.00 0.00 C ATOM 1401 C ASP A 96 3.444 -5.939 -7.665 1.00 0.00 C ATOM 1402 O ASP A 96 4.573 -5.508 -7.609 1.00 0.00 O ATOM 1403 CB ASP A 96 3.777 -8.288 -6.476 1.00 0.00 C ATOM 1404 CG ASP A 96 3.308 -9.086 -5.246 1.00 0.00 C ATOM 1405 OD1 ASP A 96 2.124 -9.392 -5.178 1.00 0.00 O ATOM 1406 OD2 ASP A 96 4.197 -9.336 -4.447 1.00 0.00 O ATOM 0 H ASP A 96 1.003 -7.341 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 96 3.111 -6.381 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.635 -8.881 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.843 -8.076 -6.397 1.00 0.00 H new ATOM 1411 N THR A 97 2.552 -5.586 -8.578 1.00 0.00 N ATOM 1412 CA THR A 97 2.731 -4.618 -9.749 1.00 0.00 C ATOM 1413 C THR A 97 3.915 -3.659 -9.721 1.00 0.00 C ATOM 1414 O THR A 97 4.508 -3.340 -10.737 1.00 0.00 O ATOM 1415 CB THR A 97 1.427 -3.755 -9.931 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.202 -3.222 -8.637 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.189 -4.660 -10.149 1.00 0.00 C ATOM 0 H THR A 97 1.607 -5.970 -8.556 1.00 0.00 H new ATOM 0 HA THR A 97 2.940 -5.294 -10.578 1.00 0.00 H new ATOM 0 HB THR A 97 1.547 -3.052 -10.756 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.223 -2.243 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.698 -4.039 -10.272 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.334 -5.266 -11.043 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.059 -5.312 -9.286 1.00 0.00 H new ATOM 1425 N VAL A 98 4.187 -3.235 -8.525 1.00 0.00 N ATOM 1426 CA VAL A 98 5.299 -2.292 -8.242 1.00 0.00 C ATOM 1427 C VAL A 98 6.532 -3.178 -7.989 1.00 0.00 C ATOM 1428 O VAL A 98 7.482 -3.158 -8.757 1.00 0.00 O ATOM 1429 CB VAL A 98 4.889 -1.432 -6.984 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.769 -0.167 -6.906 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.380 -1.032 -7.003 1.00 0.00 C ATOM 0 H VAL A 98 3.662 -3.515 -7.697 1.00 0.00 H new ATOM 0 HA VAL A 98 5.517 -1.594 -9.050 1.00 0.00 H new ATOM 0 HB VAL A 98 5.048 -2.050 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.482 0.423 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.816 -0.457 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.632 0.428 -7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.149 -0.442 -6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.171 -0.443 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.765 -1.932 -7.010 1.00 0.00 H new ATOM 1441 N PHE A 99 6.475 -3.956 -6.935 1.00 0.00 N ATOM 1442 CA PHE A 99 7.616 -4.867 -6.588 1.00 0.00 C ATOM 1443 C PHE A 99 7.814 -5.798 -7.826 1.00 0.00 C ATOM 1444 O PHE A 99 8.836 -5.677 -8.472 1.00 0.00 O ATOM 1445 CB PHE A 99 7.210 -5.639 -5.281 1.00 0.00 C ATOM 1446 CG PHE A 99 8.374 -5.773 -4.255 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.791 -4.673 -3.511 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.021 -6.977 -4.042 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.819 -4.777 -2.582 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.050 -7.081 -3.113 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.447 -5.978 -2.384 1.00 0.00 C ATOM 0 H PHE A 99 5.682 -4.001 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 99 8.559 -4.359 -6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.375 -5.122 -4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.857 -6.634 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.306 -3.720 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.722 -7.849 -4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.123 -3.910 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.542 -8.030 -2.961 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.247 -6.061 -1.663 1.00 0.00 H new ATOM 1461 N THR A 100 6.854 -6.658 -8.126 1.00 0.00 N ATOM 1462 CA THR A 100 6.938 -7.613 -9.313 1.00 0.00 C ATOM 1463 C THR A 100 7.862 -7.203 -10.443 1.00 0.00 C ATOM 1464 O THR A 100 8.664 -7.964 -10.954 1.00 0.00 O ATOM 1465 CB THR A 100 5.576 -7.874 -10.095 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.529 -6.965 -9.807 1.00 0.00 O ATOM 1467 CG2 THR A 100 4.998 -9.202 -9.834 1.00 0.00 C ATOM 0 H THR A 100 5.992 -6.745 -7.588 1.00 0.00 H new ATOM 0 HA THR A 100 7.297 -8.485 -8.767 1.00 0.00 H new ATOM 0 HB THR A 100 5.904 -7.760 -11.128 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.689 -7.458 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.072 -9.313 -10.398 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.705 -9.973 -10.141 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.789 -9.305 -8.769 1.00 0.00 H new ATOM 1475 N LYS A 101 7.657 -5.961 -10.777 1.00 0.00 N ATOM 1476 CA LYS A 101 8.420 -5.331 -11.868 1.00 0.00 C ATOM 1477 C LYS A 101 9.684 -4.511 -11.540 1.00 0.00 C ATOM 1478 O LYS A 101 10.610 -4.560 -12.325 1.00 0.00 O ATOM 1479 CB LYS A 101 7.488 -4.404 -12.651 1.00 0.00 C ATOM 1480 CG LYS A 101 6.447 -5.212 -13.426 1.00 0.00 C ATOM 1481 CD LYS A 101 5.597 -4.201 -14.233 1.00 0.00 C ATOM 1482 CE LYS A 101 4.574 -4.931 -15.093 1.00 0.00 C ATOM 1483 NZ LYS A 101 5.309 -5.549 -16.242 1.00 0.00 N ATOM 0 H LYS A 101 6.977 -5.350 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 101 8.796 -6.200 -12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.988 -3.720 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.070 -3.794 -13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.931 -5.926 -14.092 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.819 -5.786 -12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.088 -3.519 -13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.246 -3.594 -14.865 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.060 -5.696 -14.511 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.812 -4.239 -15.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.629 -5.834 -16.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.978 -4.858 -16.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.831 -6.385 -15.911 1.00 0.00 H new ATOM 1497 N ILE A 102 9.731 -3.777 -10.451 1.00 0.00 N ATOM 1498 CA ILE A 102 10.992 -2.981 -10.178 1.00 0.00 C ATOM 1499 C ILE A 102 12.026 -3.772 -9.352 1.00 0.00 C ATOM 1500 O ILE A 102 13.061 -3.233 -8.993 1.00 0.00 O ATOM 1501 CB ILE A 102 10.621 -1.638 -9.427 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.251 -1.909 -7.926 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.469 -0.926 -10.203 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.986 -0.598 -7.151 1.00 0.00 C ATOM 0 H ILE A 102 8.987 -3.690 -9.759 1.00 0.00 H new ATOM 0 HA ILE A 102 11.451 -2.761 -11.142 1.00 0.00 H new ATOM 0 HB ILE A 102 11.487 -0.976 -9.409 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.366 -2.543 -7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.062 -2.457 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.206 0.001 -9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.798 -0.702 -11.218 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.597 -1.580 -10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.733 -0.831 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.880 0.026 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.158 -0.062 -7.615 1.00 0.00 H new ATOM 1516 N ASP A 103 11.646 -5.004 -9.109 1.00 0.00 N ATOM 1517 CA ASP A 103 12.421 -6.014 -8.348 1.00 0.00 C ATOM 1518 C ASP A 103 13.135 -6.947 -9.365 1.00 0.00 C ATOM 1519 O ASP A 103 12.852 -8.117 -9.532 1.00 0.00 O ATOM 1520 CB ASP A 103 11.380 -6.726 -7.476 1.00 0.00 C ATOM 1521 CG ASP A 103 11.976 -7.911 -6.747 1.00 0.00 C ATOM 1522 OD1 ASP A 103 12.970 -7.677 -6.080 1.00 0.00 O ATOM 1523 OD2 ASP A 103 11.409 -8.981 -6.887 1.00 0.00 O ATOM 0 H ASP A 103 10.753 -5.367 -9.441 1.00 0.00 H new ATOM 0 HA ASP A 103 13.208 -5.607 -7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.969 -6.022 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.551 -7.062 -8.100 1.00 0.00 H new ATOM 1528 N THR A 104 14.082 -6.381 -10.050 1.00 0.00 N ATOM 1529 CA THR A 104 14.870 -7.159 -11.078 1.00 0.00 C ATOM 1530 C THR A 104 15.760 -8.266 -10.485 1.00 0.00 C ATOM 1531 O THR A 104 15.994 -9.302 -11.074 1.00 0.00 O ATOM 1532 CB THR A 104 15.745 -6.158 -11.867 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.191 -5.212 -10.910 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.904 -5.220 -12.699 1.00 0.00 C ATOM 0 H THR A 104 14.357 -5.404 -9.951 1.00 0.00 H new ATOM 0 HA THR A 104 14.152 -7.670 -11.719 1.00 0.00 H new ATOM 0 HB THR A 104 16.473 -6.735 -12.438 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.890 -5.614 -10.354 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.553 -4.531 -13.239 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.313 -5.796 -13.411 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.237 -4.655 -12.048 1.00 0.00 H new ATOM 1542 N ASN A 105 16.229 -7.973 -9.308 1.00 0.00 N ATOM 1543 CA ASN A 105 17.131 -8.895 -8.539 1.00 0.00 C ATOM 1544 C ASN A 105 16.597 -9.560 -7.252 1.00 0.00 C ATOM 1545 O ASN A 105 16.918 -10.717 -7.048 1.00 0.00 O ATOM 1546 CB ASN A 105 18.437 -8.086 -8.230 1.00 0.00 C ATOM 1547 CG ASN A 105 18.102 -6.622 -7.962 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.738 -5.896 -8.854 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.186 -6.111 -6.783 1.00 0.00 N ATOM 0 H ASN A 105 16.020 -7.100 -8.823 1.00 0.00 H new ATOM 0 HA ASN A 105 17.271 -9.763 -9.183 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.942 -8.515 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.126 -8.160 -9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.949 -5.130 -6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.489 -6.687 -5.998 1.00 0.00 H new ATOM 1556 N GLY A 106 15.839 -8.885 -6.420 1.00 0.00 N ATOM 1557 CA GLY A 106 15.345 -9.590 -5.172 1.00 0.00 C ATOM 1558 C GLY A 106 15.981 -9.180 -3.846 1.00 0.00 C ATOM 1559 O GLY A 106 15.417 -9.488 -2.817 1.00 0.00 O ATOM 0 H GLY A 106 15.545 -7.915 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.270 -9.430 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.499 -10.661 -5.305 1.00 0.00 H new ATOM 1563 N ILE A 107 17.126 -8.529 -3.855 1.00 0.00 N ATOM 1564 CA ILE A 107 17.799 -8.092 -2.557 1.00 0.00 C ATOM 1565 C ILE A 107 16.778 -7.814 -1.427 1.00 0.00 C ATOM 1566 O ILE A 107 16.856 -8.323 -0.325 1.00 0.00 O ATOM 1567 CB ILE A 107 18.640 -6.804 -2.813 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.879 -7.080 -3.723 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.103 -6.201 -1.455 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.952 -7.954 -3.016 1.00 0.00 C ATOM 0 H ILE A 107 17.634 -8.276 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 107 18.439 -8.912 -2.232 1.00 0.00 H new ATOM 0 HB ILE A 107 18.002 -6.093 -3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.552 -7.579 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.326 -6.131 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.690 -5.301 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.230 -5.949 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.713 -6.930 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.792 -8.116 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 107 21.302 -7.445 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 107 20.516 -8.915 -2.742 1.00 0.00 H new ATOM 1582 N GLY A 108 15.832 -6.977 -1.770 1.00 0.00 N ATOM 1583 CA GLY A 108 14.742 -6.591 -0.815 1.00 0.00 C ATOM 1584 C GLY A 108 14.266 -7.832 -0.055 1.00 0.00 C ATOM 1585 O GLY A 108 14.384 -7.895 1.145 1.00 0.00 O ATOM 0 H GLY A 108 15.766 -6.536 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.107 -5.840 -0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.910 -6.143 -1.358 1.00 0.00 H new ATOM 1589 N TYR A 109 13.759 -8.789 -0.785 1.00 0.00 N ATOM 1590 CA TYR A 109 13.244 -10.069 -0.179 1.00 0.00 C ATOM 1591 C TYR A 109 14.223 -10.664 0.851 1.00 0.00 C ATOM 1592 O TYR A 109 13.837 -11.201 1.868 1.00 0.00 O ATOM 1593 CB TYR A 109 12.981 -11.056 -1.345 1.00 0.00 C ATOM 1594 CG TYR A 109 12.331 -12.354 -0.822 1.00 0.00 C ATOM 1595 CD1 TYR A 109 13.089 -13.417 -0.370 1.00 0.00 C ATOM 1596 CD2 TYR A 109 10.956 -12.466 -0.798 1.00 0.00 C ATOM 1597 CE1 TYR A 109 12.471 -14.567 0.094 1.00 0.00 C ATOM 1598 CE2 TYR A 109 10.343 -13.615 -0.331 1.00 0.00 C ATOM 1599 CZ TYR A 109 11.099 -14.671 0.117 1.00 0.00 C ATOM 1600 OH TYR A 109 10.493 -15.819 0.582 1.00 0.00 O ATOM 0 H TYR A 109 13.675 -8.743 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 109 12.325 -9.872 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.330 -10.589 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.919 -11.290 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 109 14.167 -13.351 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.349 -11.644 -1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 109 13.074 -15.393 0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.265 -13.682 -0.319 1.00 0.00 H new ATOM 0 HH TYR A 109 9.520 -15.720 0.528 1.00 0.00 H new ATOM 1610 N GLN A 110 15.474 -10.535 0.517 1.00 0.00 N ATOM 1611 CA GLN A 110 16.588 -11.046 1.374 1.00 0.00 C ATOM 1612 C GLN A 110 16.576 -10.353 2.769 1.00 0.00 C ATOM 1613 O GLN A 110 16.687 -11.010 3.788 1.00 0.00 O ATOM 1614 CB GLN A 110 17.903 -10.784 0.561 1.00 0.00 C ATOM 1615 CG GLN A 110 19.077 -11.661 1.056 1.00 0.00 C ATOM 1616 CD GLN A 110 19.430 -11.288 2.482 1.00 0.00 C ATOM 1617 OE1 GLN A 110 20.067 -10.300 2.770 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.038 -12.041 3.449 1.00 0.00 N ATOM 0 H GLN A 110 15.785 -10.082 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 110 16.492 -12.110 1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.722 -10.984 -0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.177 -9.732 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.803 -12.715 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 110 19.944 -11.524 0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.498 -12.884 3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.267 -11.795 4.412 1.00 0.00 H new ATOM 1627 N GLN A 111 16.435 -9.053 2.782 1.00 0.00 N ATOM 1628 CA GLN A 111 16.419 -8.319 4.104 1.00 0.00 C ATOM 1629 C GLN A 111 14.975 -8.103 4.671 1.00 0.00 C ATOM 1630 O GLN A 111 14.777 -8.069 5.870 1.00 0.00 O ATOM 1631 CB GLN A 111 17.153 -6.956 3.881 1.00 0.00 C ATOM 1632 CG GLN A 111 17.530 -6.282 5.262 1.00 0.00 C ATOM 1633 CD GLN A 111 18.797 -6.849 5.941 1.00 0.00 C ATOM 1634 OE1 GLN A 111 19.870 -6.293 5.865 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.761 -7.945 6.625 1.00 0.00 N ATOM 0 H GLN A 111 16.331 -8.467 1.954 1.00 0.00 H new ATOM 0 HA GLN A 111 16.927 -8.921 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 111 18.056 -7.117 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.514 -6.285 3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.670 -5.213 5.101 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.689 -6.394 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.884 -8.456 6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.610 -8.299 7.067 1.00 0.00 H new ATOM 1644 N GLY A 112 14.018 -7.963 3.791 1.00 0.00 N ATOM 1645 CA GLY A 112 12.561 -7.747 4.135 1.00 0.00 C ATOM 1646 C GLY A 112 11.985 -6.414 3.608 1.00 0.00 C ATOM 1647 O GLY A 112 10.796 -6.247 3.401 1.00 0.00 O ATOM 0 H GLY A 112 14.191 -7.990 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.975 -8.571 3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.445 -7.779 5.218 1.00 0.00 H new ATOM 1651 N HIS A 113 12.900 -5.497 3.430 1.00 0.00 N ATOM 1652 CA HIS A 113 12.620 -4.099 2.936 1.00 0.00 C ATOM 1653 C HIS A 113 13.742 -3.495 2.035 1.00 0.00 C ATOM 1654 O HIS A 113 14.866 -3.955 2.079 1.00 0.00 O ATOM 1655 CB HIS A 113 12.411 -3.303 4.225 1.00 0.00 C ATOM 1656 CG HIS A 113 13.659 -3.516 5.095 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.796 -2.926 4.940 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.858 -4.352 6.180 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.631 -3.348 5.839 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.088 -4.236 6.632 1.00 0.00 N ATOM 0 H HIS A 113 13.889 -5.665 3.616 1.00 0.00 H new ATOM 0 HA HIS A 113 11.757 -4.078 2.270 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.271 -2.245 4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.516 -3.642 4.746 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.108 -5.008 6.597 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.652 -3.007 5.923 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.518 -4.724 7.417 1.00 0.00 H new ATOM 1668 N LEU A 114 13.428 -2.489 1.257 1.00 0.00 N ATOM 1669 CA LEU A 114 14.441 -1.829 0.351 1.00 0.00 C ATOM 1670 C LEU A 114 14.347 -0.268 0.326 1.00 0.00 C ATOM 1671 O LEU A 114 13.547 0.318 1.027 1.00 0.00 O ATOM 1672 CB LEU A 114 14.236 -2.428 -1.063 1.00 0.00 C ATOM 1673 CG LEU A 114 13.072 -1.786 -1.859 1.00 0.00 C ATOM 1674 CD1 LEU A 114 12.914 -2.571 -3.164 1.00 0.00 C ATOM 1675 CD2 LEU A 114 11.742 -1.801 -1.082 1.00 0.00 C ATOM 0 H LEU A 114 12.494 -2.083 1.205 1.00 0.00 H new ATOM 0 HA LEU A 114 15.442 -2.031 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 114 15.158 -2.312 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 114 14.051 -3.498 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 114 13.313 -0.739 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 114 12.100 -2.143 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 114 13.840 -2.516 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 114 12.689 -3.613 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 114 10.962 -1.339 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 114 11.464 -2.831 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.858 -1.244 -0.152 1.00 0.00 H new ATOM 1687 N ASN A 115 15.160 0.376 -0.477 1.00 0.00 N ATOM 1688 CA ASN A 115 15.125 1.878 -0.559 1.00 0.00 C ATOM 1689 C ASN A 115 14.587 2.339 -1.938 1.00 0.00 C ATOM 1690 O ASN A 115 15.185 2.106 -2.975 1.00 0.00 O ATOM 1691 CB ASN A 115 16.563 2.390 -0.300 1.00 0.00 C ATOM 1692 CG ASN A 115 16.637 3.922 -0.325 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.667 4.640 -0.418 1.00 0.00 O ATOM 1694 ND2 ASN A 115 17.795 4.486 -0.244 1.00 0.00 N ATOM 0 H ASN A 115 15.849 -0.071 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 115 14.448 2.292 0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.910 2.025 0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.235 1.982 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.869 5.503 -0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 115 18.636 3.915 -0.164 1.00 0.00 H new ATOM 1701 N VAL A 116 13.445 2.977 -1.880 1.00 0.00 N ATOM 1702 CA VAL A 116 12.775 3.493 -3.120 1.00 0.00 C ATOM 1703 C VAL A 116 12.275 4.938 -2.914 1.00 0.00 C ATOM 1704 O VAL A 116 12.267 5.479 -1.821 1.00 0.00 O ATOM 1705 CB VAL A 116 11.543 2.565 -3.513 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.858 1.066 -3.334 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.281 2.870 -2.664 1.00 0.00 C ATOM 0 H VAL A 116 12.939 3.166 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 116 13.510 3.482 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 116 11.353 2.787 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.986 0.475 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.701 0.793 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.109 0.869 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.469 2.211 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.503 2.706 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.983 3.908 -2.815 1.00 0.00 H new ATOM 1717 N ASN A 117 11.867 5.531 -3.999 1.00 0.00 N ATOM 1718 CA ASN A 117 11.341 6.935 -3.971 1.00 0.00 C ATOM 1719 C ASN A 117 9.902 6.866 -4.469 1.00 0.00 C ATOM 1720 O ASN A 117 9.664 6.222 -5.479 1.00 0.00 O ATOM 1721 CB ASN A 117 12.236 7.765 -4.883 1.00 0.00 C ATOM 1722 CG ASN A 117 13.514 7.987 -4.132 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.733 9.009 -3.530 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.398 7.055 -4.123 1.00 0.00 N ATOM 0 H ASN A 117 11.874 5.100 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 117 11.347 7.393 -2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.423 7.245 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.762 8.714 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.271 7.185 -3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.227 6.185 -4.627 1.00 0.00 H new ATOM 1731 N TYR A 118 8.997 7.511 -3.776 1.00 0.00 N ATOM 1732 CA TYR A 118 7.586 7.460 -4.229 1.00 0.00 C ATOM 1733 C TYR A 118 6.961 8.846 -4.124 1.00 0.00 C ATOM 1734 O TYR A 118 7.004 9.538 -3.118 1.00 0.00 O ATOM 1735 CB TYR A 118 6.856 6.387 -3.368 1.00 0.00 C ATOM 1736 CG TYR A 118 6.675 6.716 -1.879 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.753 7.648 -1.443 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.432 6.048 -0.944 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.593 7.900 -0.095 1.00 0.00 C ATOM 1740 CE2 TYR A 118 7.271 6.302 0.408 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.351 7.228 0.834 1.00 0.00 C ATOM 1742 OH TYR A 118 6.162 7.497 2.171 1.00 0.00 O ATOM 0 H TYR A 118 9.174 8.058 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 118 7.504 7.172 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.871 6.213 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.409 5.451 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.152 8.184 -2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 118 8.159 5.318 -1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.867 8.630 0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.872 5.769 1.130 1.00 0.00 H new ATOM 0 HH TYR A 118 5.442 8.153 2.274 1.00 0.00 H new ATOM 1752 N GLN A 119 6.385 9.201 -5.233 1.00 0.00 N ATOM 1753 CA GLN A 119 5.719 10.524 -5.342 1.00 0.00 C ATOM 1754 C GLN A 119 4.272 10.287 -5.797 1.00 0.00 C ATOM 1755 O GLN A 119 4.034 9.499 -6.692 1.00 0.00 O ATOM 1756 CB GLN A 119 6.521 11.388 -6.385 1.00 0.00 C ATOM 1757 CG GLN A 119 8.028 10.921 -6.557 1.00 0.00 C ATOM 1758 CD GLN A 119 8.828 10.842 -5.258 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.783 10.104 -5.139 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.520 11.563 -4.231 1.00 0.00 N ATOM 0 H GLN A 119 6.346 8.627 -6.076 1.00 0.00 H new ATOM 0 HA GLN A 119 5.702 11.057 -4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.019 11.337 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.504 12.432 -6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.037 9.940 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.531 11.609 -7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.726 12.201 -4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.071 11.494 -3.376 1.00 0.00 H new ATOM 1769 N PHE A 120 3.322 10.943 -5.186 1.00 0.00 N ATOM 1770 CA PHE A 120 1.916 10.703 -5.663 1.00 0.00 C ATOM 1771 C PHE A 120 1.773 11.251 -7.112 1.00 0.00 C ATOM 1772 O PHE A 120 2.329 12.279 -7.450 1.00 0.00 O ATOM 1773 CB PHE A 120 0.949 11.417 -4.699 1.00 0.00 C ATOM 1774 CG PHE A 120 0.713 10.543 -3.452 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.711 10.297 -2.522 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.534 9.989 -3.245 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.477 9.521 -1.405 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.768 9.208 -2.125 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.232 8.972 -1.203 1.00 0.00 C ATOM 0 H PHE A 120 3.439 11.603 -4.417 1.00 0.00 H new ATOM 0 HA PHE A 120 1.681 9.639 -5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.361 12.382 -4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.001 11.615 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.692 10.721 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.328 10.164 -3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.269 9.345 -0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.747 8.778 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.039 8.363 -0.332 1.00 0.00 H new ATOM 1789 N VAL A 121 1.032 10.558 -7.939 1.00 0.00 N ATOM 1790 CA VAL A 121 0.853 11.027 -9.353 1.00 0.00 C ATOM 1791 C VAL A 121 -0.582 10.870 -9.896 1.00 0.00 C ATOM 1792 O VAL A 121 -1.355 10.026 -9.478 1.00 0.00 O ATOM 1793 CB VAL A 121 1.912 10.234 -10.225 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.257 9.378 -11.338 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.867 11.225 -10.929 1.00 0.00 C ATOM 0 H VAL A 121 0.545 9.694 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 121 1.021 12.103 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 121 2.439 9.579 -9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.032 8.859 -11.901 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.585 8.648 -10.887 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.692 10.025 -12.009 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.591 10.671 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.292 11.886 -11.578 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.392 11.818 -10.180 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.889 11.731 -10.819 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.225 11.709 -11.464 1.00 0.00 C ATOM 1807 C ASP A 122 -2.082 10.784 -12.670 1.00 0.00 C ATOM 1808 O ASP A 122 -1.098 10.857 -13.385 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.549 13.124 -11.861 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.173 13.882 -10.704 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -2.794 13.676 -9.559 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.029 14.661 -11.078 1.00 0.00 O ATOM 0 H ASP A 122 -0.261 12.460 -11.159 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.030 11.348 -10.824 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.641 13.632 -12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.233 13.120 -12.710 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.045 9.938 -12.904 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.920 9.021 -14.074 1.00 0.00 C ATOM 1819 C CYS A 123 -3.053 9.792 -15.387 1.00 0.00 C ATOM 1820 O CYS A 123 -2.204 9.716 -16.252 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.009 7.949 -13.937 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.260 7.194 -12.311 1.00 0.00 S ATOM 0 H CYS A 123 -3.896 9.840 -12.351 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.936 8.551 -14.090 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.955 8.392 -14.249 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.783 7.151 -14.644 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.136 10.514 -15.445 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.532 11.376 -16.623 1.00 0.00 C ATOM 1829 C ARG A 124 -4.870 10.442 -17.808 1.00 0.00 C ATOM 1830 O ARG A 124 -4.244 10.475 -18.849 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.346 12.366 -16.979 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.124 13.365 -15.800 1.00 0.00 C ATOM 1833 CD ARG A 124 -1.831 14.189 -15.986 1.00 0.00 C ATOM 1834 NE ARG A 124 -2.033 15.204 -17.094 1.00 0.00 N ATOM 1835 CZ ARG A 124 -1.647 16.438 -17.042 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -0.817 16.804 -16.145 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -2.106 17.267 -17.899 1.00 0.00 N ATOM 0 H ARG A 124 -4.811 10.550 -14.681 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.406 11.983 -16.389 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.433 11.802 -17.168 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -3.577 12.913 -17.893 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.978 14.039 -15.728 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.073 12.814 -14.861 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.574 14.696 -15.056 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.999 13.529 -16.230 1.00 0.00 H new ATOM 0 HE ARG A 124 -2.507 14.892 -17.941 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -0.460 16.125 -15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -0.510 17.776 -16.100 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.766 16.952 -18.610 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -1.812 18.243 -17.872 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.874 9.653 -17.531 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.436 8.644 -18.468 1.00 0.00 C ATOM 1853 C ASP A 125 -7.557 9.266 -19.339 1.00 0.00 C ATOM 1854 O ASP A 125 -7.342 9.278 -20.540 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.929 7.490 -17.549 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.434 6.318 -18.334 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.673 5.830 -19.144 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.555 5.936 -18.047 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.554 9.698 -18.776 1.00 0.00 O ATOM 0 H ASP A 125 -6.355 9.674 -16.632 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.709 8.273 -19.191 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.112 7.168 -16.903 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.722 7.859 -16.899 1.00 0.00 H new TER 1864 ASP A 125