USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 64 HIS : no HD1:sc= -0.35 K(o=-0.35,f=-2.1) USER MOD Set 1.2: A 65 ASN : amide:sc=-0.00347 K(o=-0.35,f=-1) USER MOD Set 2.1: A 60 HIS : no HD1:sc= -0.978 K(o=-1.2,f=-3.1) USER MOD Set 2.2: A 61 THR OG1 : rot 180:sc= -0.225 USER MOD Set 3.1: A 20 CYS SG : rot 167:sc= 0.0248 USER MOD Set 3.2: A 42 CYS SG : rot 75:sc= 0.78 USER MOD Set 3.3: A 43 CYS SG : rot -127:sc= 2.27 USER MOD Set 3.4: A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 169:sc= -0.0391 (180deg=-0.214) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.0177 (180deg=-0.452) USER MOD Single : A 2 SER OG : rot -120:sc= -0.385 USER MOD Single : A 5 ASN : amide:sc= -2.62! C(o=-2.6!,f=-4.3!) USER MOD Single : A 9 ASN : amide:sc= -0.226 K(o=-0.23,f=-3.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -4.49! C(o=-4.5!,f=-5.1!) USER MOD Single : A 51 MET CE :methyl -156:sc= -1.57 (180deg=-1.82!) USER MOD Single : A 52 ASN : amide:sc= -3.36! C(o=-3.4!,f=-3.2!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= -1.09 (180deg=-1.49) USER MOD Single : A 70 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.59) USER MOD Single : A 74 ASN : amide:sc= -0.597 K(o=-0.6,f=-1.9!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.913 K(o=-0.91,f=-2.6) USER MOD Single : A 80 ASN : amide:sc= -2.31 X(o=-2.3,f=-2.6) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -6.6! C(o=-6.6!,f=-15!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -140:sc= -0.636 (180deg=-2.77!) USER MOD Single : A 106 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00068) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0369 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.645 15.722 -6.856 1.00 0.00 N ATOM 2 CA MET A 1 6.545 15.784 -5.909 1.00 0.00 C ATOM 3 C MET A 1 6.438 14.486 -5.106 1.00 0.00 C ATOM 4 O MET A 1 7.292 13.609 -5.221 1.00 0.00 O ATOM 5 CB MET A 1 5.235 16.029 -6.662 1.00 0.00 C ATOM 6 CG MET A 1 5.040 14.992 -7.772 1.00 0.00 C ATOM 7 SD MET A 1 3.421 15.178 -8.500 1.00 0.00 S ATOM 8 CE MET A 1 2.962 13.462 -8.676 1.00 0.00 C ATOM 0 H1 MET A 1 7.408 16.281 -7.701 1.00 0.00 H new ATOM 0 H2 MET A 1 8.504 16.108 -6.416 1.00 0.00 H new ATOM 0 H3 MET A 1 7.811 14.733 -7.131 1.00 0.00 H new ATOM 0 HA MET A 1 6.734 16.603 -5.215 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.397 15.985 -5.966 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.240 17.031 -7.092 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.808 15.115 -8.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.152 13.987 -7.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.905 13.393 -8.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.558 13.005 -9.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.142 12.939 -7.737 1.00 0.00 H new ATOM 16 N SER A 2 5.380 14.404 -4.312 1.00 0.00 N ATOM 17 CA SER A 2 5.150 13.227 -3.491 1.00 0.00 C ATOM 18 C SER A 2 3.823 12.571 -3.877 1.00 0.00 C ATOM 19 O SER A 2 2.796 13.242 -3.964 1.00 0.00 O ATOM 20 CB SER A 2 5.153 13.585 -2.003 1.00 0.00 C ATOM 21 OG SER A 2 6.345 13.153 -1.353 1.00 0.00 O ATOM 0 H SER A 2 4.673 15.133 -4.220 1.00 0.00 H new ATOM 0 HA SER A 2 5.962 12.521 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.049 14.664 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.290 13.129 -1.518 1.00 0.00 H new ATOM 0 HG SER A 2 6.117 12.527 -0.634 1.00 0.00 H new ATOM 26 N GLU A 3 3.887 11.266 -4.099 1.00 0.00 N ATOM 27 CA GLU A 3 2.704 10.512 -4.473 1.00 0.00 C ATOM 28 C GLU A 3 2.751 9.110 -3.861 1.00 0.00 C ATOM 29 O GLU A 3 3.714 8.372 -4.064 1.00 0.00 O ATOM 30 CB GLU A 3 2.557 10.441 -5.995 1.00 0.00 C ATOM 31 CG GLU A 3 1.193 10.971 -6.440 1.00 0.00 C ATOM 32 CD GLU A 3 0.228 9.822 -6.736 1.00 0.00 C ATOM 33 OE1 GLU A 3 -0.870 9.771 -6.163 1.00 0.00 O ATOM 34 OE2 GLU A 3 0.653 8.962 -7.599 1.00 0.00 O ATOM 0 H GLU A 3 4.741 10.712 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 3 1.829 11.029 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.349 11.022 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.677 9.410 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.776 11.610 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.312 11.589 -7.330 1.00 0.00 H new ATOM 40 N VAL A 4 1.699 8.785 -3.124 1.00 0.00 N ATOM 41 CA VAL A 4 1.609 7.486 -2.481 1.00 0.00 C ATOM 42 C VAL A 4 0.244 6.865 -2.784 1.00 0.00 C ATOM 43 O VAL A 4 -0.791 7.454 -2.476 1.00 0.00 O ATOM 44 CB VAL A 4 1.885 7.623 -0.981 1.00 0.00 C ATOM 45 CG1 VAL A 4 1.033 8.736 -0.368 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.655 6.294 -0.258 1.00 0.00 C ATOM 0 H VAL A 4 0.902 9.399 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 4 2.368 6.811 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 4 2.933 7.895 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.247 8.813 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.267 9.683 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.023 8.506 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.858 6.419 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.621 5.979 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.323 5.536 -0.668 1.00 0.00 H new ATOM 56 N ASN A 5 0.286 5.683 -3.382 1.00 0.00 N ATOM 57 CA ASN A 5 -0.934 4.977 -3.730 1.00 0.00 C ATOM 58 C ASN A 5 -0.726 3.475 -3.523 1.00 0.00 C ATOM 59 O ASN A 5 0.269 2.914 -3.982 1.00 0.00 O ATOM 60 CB ASN A 5 -1.305 5.206 -5.196 1.00 0.00 C ATOM 61 CG ASN A 5 -0.815 6.572 -5.678 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.056 6.690 -6.626 1.00 0.00 O ATOM 63 ND2 ASN A 5 -1.291 7.596 -4.976 1.00 0.00 N ATOM 0 H ASN A 5 1.147 5.197 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.734 5.354 -3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.868 4.421 -5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.386 5.140 -5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.024 8.550 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.923 7.428 -4.193 1.00 0.00 H new ATOM 69 N ILE A 6 -1.680 2.867 -2.834 1.00 0.00 N ATOM 70 CA ILE A 6 -1.613 1.441 -2.561 1.00 0.00 C ATOM 71 C ILE A 6 -3.019 0.843 -2.648 1.00 0.00 C ATOM 72 O ILE A 6 -3.950 1.345 -2.021 1.00 0.00 O ATOM 73 CB ILE A 6 -0.916 1.183 -1.224 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.535 1.667 -1.260 1.00 0.00 C ATOM 75 CG2 ILE A 6 -1.019 -0.291 -0.828 1.00 0.00 C ATOM 76 CD1 ILE A 6 0.658 3.075 -0.674 1.00 0.00 C ATOM 0 H ILE A 6 -2.504 3.335 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.005 0.937 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.429 1.760 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.166 0.979 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.898 1.664 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.516 -0.447 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.068 -0.570 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.546 -0.907 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.699 3.395 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.045 3.765 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.317 3.069 0.361 1.00 0.00 H new ATOM 87 N VAL A 7 -3.128 -0.222 -3.430 1.00 0.00 N ATOM 88 CA VAL A 7 -4.404 -0.893 -3.606 1.00 0.00 C ATOM 89 C VAL A 7 -4.243 -2.379 -3.282 1.00 0.00 C ATOM 90 O VAL A 7 -3.238 -2.991 -3.644 1.00 0.00 O ATOM 91 CB VAL A 7 -4.936 -0.643 -5.019 1.00 0.00 C ATOM 92 CG1 VAL A 7 -4.107 -1.400 -6.059 1.00 0.00 C ATOM 93 CG2 VAL A 7 -6.417 -1.015 -5.121 1.00 0.00 C ATOM 0 H VAL A 7 -2.353 -0.636 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.146 -0.489 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.843 0.423 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.506 -1.205 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.071 -1.066 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.153 -2.469 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.770 -0.828 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.544 -2.071 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.993 -0.412 -4.419 1.00 0.00 H new ATOM 103 N VAL A 8 -5.246 -2.917 -2.604 1.00 0.00 N ATOM 104 CA VAL A 8 -5.228 -4.321 -2.227 1.00 0.00 C ATOM 105 C VAL A 8 -6.561 -4.964 -2.612 1.00 0.00 C ATOM 106 O VAL A 8 -7.595 -4.663 -2.017 1.00 0.00 O ATOM 107 CB VAL A 8 -4.904 -4.458 -0.738 1.00 0.00 C ATOM 108 CG1 VAL A 8 -3.407 -4.269 -0.482 1.00 0.00 C ATOM 109 CG2 VAL A 8 -5.732 -3.479 0.095 1.00 0.00 C ATOM 0 H VAL A 8 -6.077 -2.406 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.444 -4.853 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.170 -5.469 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.204 -4.371 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.846 -5.024 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.103 -3.277 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.483 -3.597 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.512 -2.458 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.793 -3.683 -0.052 1.00 0.00 H new ATOM 119 N ASN A 9 -6.495 -5.839 -3.604 1.00 0.00 N ATOM 120 CA ASN A 9 -7.684 -6.529 -4.075 1.00 0.00 C ATOM 121 C ASN A 9 -7.420 -8.036 -4.094 1.00 0.00 C ATOM 122 O ASN A 9 -6.611 -8.519 -4.886 1.00 0.00 O ATOM 123 CB ASN A 9 -8.046 -6.094 -5.496 1.00 0.00 C ATOM 124 CG ASN A 9 -8.728 -4.724 -5.494 1.00 0.00 C ATOM 125 OD1 ASN A 9 -8.653 -3.967 -4.541 1.00 0.00 O ATOM 126 ND2 ASN A 9 -9.395 -4.451 -6.611 1.00 0.00 N ATOM 0 H ASN A 9 -5.636 -6.086 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.506 -6.283 -3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.145 -6.055 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.707 -6.833 -5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.885 -3.562 -6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.417 -5.131 -7.371 1.00 0.00 H new ATOM 132 N GLY A 10 -8.119 -8.738 -3.214 1.00 0.00 N ATOM 133 CA GLY A 10 -7.971 -10.180 -3.119 1.00 0.00 C ATOM 134 C GLY A 10 -7.335 -10.580 -1.786 1.00 0.00 C ATOM 135 O GLY A 10 -7.131 -11.764 -1.522 1.00 0.00 O ATOM 0 H GLY A 10 -8.790 -8.334 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.946 -10.656 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.355 -10.541 -3.943 1.00 0.00 H new ATOM 139 N ARG A 11 -7.040 -9.570 -0.982 1.00 0.00 N ATOM 140 CA ARG A 11 -6.432 -9.802 0.318 1.00 0.00 C ATOM 141 C ARG A 11 -5.268 -10.786 0.191 1.00 0.00 C ATOM 142 O ARG A 11 -5.223 -11.795 0.893 1.00 0.00 O ATOM 143 CB ARG A 11 -7.453 -10.356 1.313 1.00 0.00 C ATOM 144 CG ARG A 11 -6.851 -10.458 2.716 1.00 0.00 C ATOM 145 CD ARG A 11 -7.265 -11.765 3.396 1.00 0.00 C ATOM 146 NE ARG A 11 -8.604 -12.180 2.922 1.00 0.00 N ATOM 147 CZ ARG A 11 -9.741 -11.495 3.169 1.00 0.00 C ATOM 148 NH1 ARG A 11 -9.710 -10.353 3.890 1.00 0.00 N ATOM 149 NH2 ARG A 11 -10.883 -11.958 2.697 1.00 0.00 N ATOM 0 H ARG A 11 -7.210 -8.589 -1.205 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.065 -8.845 0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.331 -9.710 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.789 -11.340 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.764 -10.404 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.178 -9.611 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.535 -12.545 3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.278 -11.633 4.478 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.672 -13.038 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.823 -10.002 4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.573 -9.841 4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.898 -12.822 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.751 -11.452 2.875 1.00 0.00 H new ATOM 159 N GLU A 12 -4.353 -10.458 -0.710 1.00 0.00 N ATOM 160 CA GLU A 12 -3.191 -11.300 -0.938 1.00 0.00 C ATOM 161 C GLU A 12 -1.905 -10.502 -0.717 1.00 0.00 C ATOM 162 O GLU A 12 -1.895 -9.280 -0.861 1.00 0.00 O ATOM 163 CB GLU A 12 -3.223 -11.911 -2.340 1.00 0.00 C ATOM 164 CG GLU A 12 -3.090 -10.828 -3.413 1.00 0.00 C ATOM 165 CD GLU A 12 -4.129 -11.021 -4.518 1.00 0.00 C ATOM 166 OE1 GLU A 12 -4.420 -12.162 -4.905 1.00 0.00 O ATOM 167 OE2 GLU A 12 -4.643 -9.930 -4.978 1.00 0.00 O ATOM 0 H GLU A 12 -4.393 -9.620 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.215 -12.120 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.413 -12.633 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.156 -12.456 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.214 -9.845 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.088 -10.857 -3.842 1.00 0.00 H new ATOM 173 N ALA A 13 -0.849 -11.225 -0.370 1.00 0.00 N ATOM 174 CA ALA A 13 0.439 -10.599 -0.128 1.00 0.00 C ATOM 175 C ALA A 13 1.534 -11.408 -0.828 1.00 0.00 C ATOM 176 O ALA A 13 1.434 -12.628 -0.939 1.00 0.00 O ATOM 177 CB ALA A 13 0.675 -10.482 1.378 1.00 0.00 C ATOM 0 H ALA A 13 -0.860 -12.238 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 13 0.459 -9.590 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.642 -10.012 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.113 -9.875 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.665 -11.476 1.826 1.00 0.00 H new ATOM 183 N GLY A 14 2.554 -10.694 -1.283 1.00 0.00 N ATOM 184 CA GLY A 14 3.665 -11.330 -1.969 1.00 0.00 C ATOM 185 C GLY A 14 4.878 -10.400 -2.027 1.00 0.00 C ATOM 186 O GLY A 14 5.425 -10.152 -3.102 1.00 0.00 O ATOM 0 H GLY A 14 2.634 -9.681 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.934 -12.253 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.364 -11.604 -2.980 1.00 0.00 H new ATOM 190 N SER A 15 5.264 -9.909 -0.859 1.00 0.00 N ATOM 191 CA SER A 15 6.402 -9.011 -0.763 1.00 0.00 C ATOM 192 C SER A 15 6.993 -9.063 0.647 1.00 0.00 C ATOM 193 O SER A 15 6.483 -9.775 1.511 1.00 0.00 O ATOM 194 CB SER A 15 6.004 -7.577 -1.119 1.00 0.00 C ATOM 195 OG SER A 15 6.909 -6.987 -2.049 1.00 0.00 O ATOM 0 H SER A 15 4.808 -10.116 0.030 1.00 0.00 H new ATOM 0 HA SER A 15 7.156 -9.338 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.998 -7.574 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.972 -6.974 -0.212 1.00 0.00 H new ATOM 0 HG SER A 15 6.620 -6.073 -2.252 1.00 0.00 H new ATOM 200 N LYS A 16 8.058 -8.299 0.837 1.00 0.00 N ATOM 201 CA LYS A 16 8.723 -8.248 2.128 1.00 0.00 C ATOM 202 C LYS A 16 7.858 -7.460 3.113 1.00 0.00 C ATOM 203 O LYS A 16 8.193 -7.353 4.291 1.00 0.00 O ATOM 204 CB LYS A 16 10.142 -7.697 1.978 1.00 0.00 C ATOM 205 CG LYS A 16 10.936 -8.498 0.944 1.00 0.00 C ATOM 206 CD LYS A 16 11.519 -7.580 -0.131 1.00 0.00 C ATOM 207 CE LYS A 16 10.410 -6.970 -0.991 1.00 0.00 C ATOM 208 NZ LYS A 16 10.988 -6.245 -2.145 1.00 0.00 N ATOM 0 H LYS A 16 8.477 -7.710 0.118 1.00 0.00 H new ATOM 0 HA LYS A 16 8.837 -9.252 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.099 -6.650 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.653 -7.732 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.741 -9.041 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.289 -9.242 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.098 -6.785 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.206 -8.144 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.743 -7.756 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.809 -6.288 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.222 -5.837 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.607 -5.483 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.542 -6.905 -2.727 1.00 0.00 H new ATOM 217 N SER A 17 6.761 -6.929 2.593 1.00 0.00 N ATOM 218 CA SER A 17 5.844 -6.153 3.412 1.00 0.00 C ATOM 219 C SER A 17 5.527 -6.911 4.703 1.00 0.00 C ATOM 220 O SER A 17 5.347 -6.301 5.756 1.00 0.00 O ATOM 221 CB SER A 17 4.555 -5.841 2.650 1.00 0.00 C ATOM 222 OG SER A 17 4.028 -6.992 1.998 1.00 0.00 O ATOM 0 H SER A 17 6.486 -7.021 1.615 1.00 0.00 H new ATOM 0 HA SER A 17 6.325 -5.207 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.812 -5.444 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.750 -5.063 1.911 1.00 0.00 H new ATOM 0 HG SER A 17 3.205 -6.751 1.524 1.00 0.00 H new ATOM 227 N LYS A 18 5.471 -8.228 4.580 1.00 0.00 N ATOM 228 CA LYS A 18 5.179 -9.075 5.723 1.00 0.00 C ATOM 229 C LYS A 18 6.177 -8.773 6.844 1.00 0.00 C ATOM 230 O LYS A 18 5.919 -9.077 8.008 1.00 0.00 O ATOM 231 CB LYS A 18 5.150 -10.547 5.307 1.00 0.00 C ATOM 232 CG LYS A 18 4.020 -10.812 4.310 1.00 0.00 C ATOM 233 CD LYS A 18 3.340 -12.152 4.595 1.00 0.00 C ATOM 234 CE LYS A 18 3.056 -12.911 3.296 1.00 0.00 C ATOM 235 NZ LYS A 18 1.793 -13.673 3.406 1.00 0.00 N ATOM 0 H LYS A 18 5.623 -8.730 3.705 1.00 0.00 H new ATOM 0 HA LYS A 18 4.184 -8.858 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.106 -10.821 4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.018 -11.175 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.286 -10.008 4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.418 -10.811 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.976 -12.756 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.407 -11.983 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.993 -12.209 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.880 -13.591 3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.616 -14.182 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.867 -14.356 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.007 -13.018 3.592 1.00 0.00 H new ATOM 244 N GLY A 19 7.294 -8.178 6.453 1.00 0.00 N ATOM 245 CA GLY A 19 8.331 -7.832 7.409 1.00 0.00 C ATOM 246 C GLY A 19 7.997 -6.526 8.132 1.00 0.00 C ATOM 247 O GLY A 19 6.936 -6.404 8.743 1.00 0.00 O ATOM 0 H GLY A 19 7.503 -7.927 5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.443 -8.636 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.287 -7.733 6.894 1.00 0.00 H new ATOM 251 N CYS A 20 8.921 -5.581 8.038 1.00 0.00 N ATOM 252 CA CYS A 20 8.738 -4.288 8.675 1.00 0.00 C ATOM 253 C CYS A 20 9.216 -3.204 7.707 1.00 0.00 C ATOM 254 O CYS A 20 9.924 -3.494 6.744 1.00 0.00 O ATOM 255 CB CYS A 20 9.463 -4.212 10.020 1.00 0.00 C ATOM 256 SG CYS A 20 9.942 -5.891 10.568 1.00 0.00 S ATOM 0 H CYS A 20 9.799 -5.685 7.530 1.00 0.00 H new ATOM 0 HA CYS A 20 7.682 -4.136 8.897 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.349 -3.583 9.930 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.817 -3.748 10.765 1.00 0.00 H new ATOM 0 HG CYS A 20 10.786 -5.802 11.553 1.00 0.00 H new ATOM 261 N ALA A 21 8.809 -1.976 7.996 1.00 0.00 N ATOM 262 CA ALA A 21 9.187 -0.847 7.163 1.00 0.00 C ATOM 263 C ALA A 21 10.693 -0.607 7.289 1.00 0.00 C ATOM 264 O ALA A 21 11.293 0.053 6.443 1.00 0.00 O ATOM 265 CB ALA A 21 8.365 0.380 7.563 1.00 0.00 C ATOM 0 H ALA A 21 8.221 -1.739 8.795 1.00 0.00 H new ATOM 0 HA ALA A 21 8.973 -1.055 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.648 1.227 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.305 0.168 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.556 0.621 8.609 1.00 0.00 H new ATOM 271 N LEU A 22 11.260 -1.157 8.353 1.00 0.00 N ATOM 272 CA LEU A 22 12.684 -1.010 8.602 1.00 0.00 C ATOM 273 C LEU A 22 13.387 -2.339 8.313 1.00 0.00 C ATOM 274 O LEU A 22 14.265 -2.407 7.455 1.00 0.00 O ATOM 275 CB LEU A 22 12.930 -0.479 10.015 1.00 0.00 C ATOM 276 CG LEU A 22 13.412 0.970 10.113 1.00 0.00 C ATOM 277 CD1 LEU A 22 14.856 1.102 9.622 1.00 0.00 C ATOM 278 CD2 LEU A 22 12.465 1.914 9.368 1.00 0.00 C ATOM 0 H LEU A 22 10.759 -1.705 9.052 1.00 0.00 H new ATOM 0 HA LEU A 22 13.114 -0.268 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.004 -0.572 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.667 -1.120 10.499 1.00 0.00 H new ATOM 0 HG LEU A 22 13.400 1.264 11.163 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.174 2.141 9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.507 0.475 10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.917 0.783 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.830 2.937 9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.422 1.630 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.468 1.847 9.803 1.00 0.00 H new ATOM 289 N CYS A 23 12.974 -3.361 9.047 1.00 0.00 N ATOM 290 CA CYS A 23 13.552 -4.684 8.880 1.00 0.00 C ATOM 291 C CYS A 23 12.537 -5.564 8.149 1.00 0.00 C ATOM 292 O CYS A 23 11.386 -5.170 7.965 1.00 0.00 O ATOM 293 CB CYS A 23 13.972 -5.290 10.222 1.00 0.00 C ATOM 294 SG CYS A 23 15.740 -4.942 10.541 1.00 0.00 S ATOM 0 H CYS A 23 12.246 -3.300 9.759 1.00 0.00 H new ATOM 0 HA CYS A 23 14.463 -4.614 8.286 1.00 0.00 H new ATOM 0 HB2 CYS A 23 13.361 -4.876 11.024 1.00 0.00 H new ATOM 0 HB3 CYS A 23 13.801 -6.366 10.214 1.00 0.00 H new ATOM 0 HG CYS A 23 16.085 -5.459 11.683 1.00 0.00 H new ATOM 299 N GLY A 24 12.999 -6.740 7.750 1.00 0.00 N ATOM 300 CA GLY A 24 12.146 -7.679 7.043 1.00 0.00 C ATOM 301 C GLY A 24 12.683 -9.107 7.165 1.00 0.00 C ATOM 302 O GLY A 24 13.057 -9.721 6.168 1.00 0.00 O ATOM 0 H GLY A 24 13.954 -7.064 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.134 -7.631 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.084 -7.399 5.992 1.00 0.00 H new ATOM 306 N ALA A 25 12.701 -9.593 8.397 1.00 0.00 N ATOM 307 CA ALA A 25 13.185 -10.937 8.664 1.00 0.00 C ATOM 308 C ALA A 25 12.008 -11.828 9.067 1.00 0.00 C ATOM 309 O ALA A 25 12.125 -13.053 9.074 1.00 0.00 O ATOM 310 CB ALA A 25 14.271 -10.886 9.739 1.00 0.00 C ATOM 0 H ALA A 25 12.388 -9.080 9.222 1.00 0.00 H new ATOM 0 HA ALA A 25 13.633 -11.367 7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.633 -11.895 9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.097 -10.266 9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.858 -10.461 10.654 1.00 0.00 H new ATOM 316 N THR A 26 10.900 -11.178 9.391 1.00 0.00 N ATOM 317 CA THR A 26 9.702 -11.897 9.795 1.00 0.00 C ATOM 318 C THR A 26 8.608 -11.745 8.735 1.00 0.00 C ATOM 319 O THR A 26 8.622 -10.795 7.954 1.00 0.00 O ATOM 320 CB THR A 26 9.286 -11.384 11.174 1.00 0.00 C ATOM 321 OG1 THR A 26 7.997 -11.956 11.384 1.00 0.00 O ATOM 322 CG2 THR A 26 9.030 -9.876 11.187 1.00 0.00 C ATOM 0 H THR A 26 10.806 -10.162 9.382 1.00 0.00 H new ATOM 0 HA THR A 26 9.890 -12.968 9.874 1.00 0.00 H new ATOM 0 HB THR A 26 10.063 -11.626 11.899 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.653 -11.676 12.258 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.738 -9.565 12.190 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.939 -9.350 10.894 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.231 -9.637 10.486 1.00 0.00 H new ATOM 330 N TRP A 27 7.687 -12.697 8.743 1.00 0.00 N ATOM 331 CA TRP A 27 6.587 -12.683 7.793 1.00 0.00 C ATOM 332 C TRP A 27 5.437 -13.496 8.389 1.00 0.00 C ATOM 333 O TRP A 27 5.665 -14.462 9.115 1.00 0.00 O ATOM 334 CB TRP A 27 7.039 -13.199 6.425 1.00 0.00 C ATOM 335 CG TRP A 27 8.244 -14.139 6.481 1.00 0.00 C ATOM 336 CD1 TRP A 27 8.444 -15.176 7.306 1.00 0.00 C ATOM 337 CD2 TRP A 27 9.416 -14.087 5.639 1.00 0.00 C ATOM 338 NE1 TRP A 27 9.654 -15.793 7.060 1.00 0.00 N ATOM 339 CE2 TRP A 27 10.262 -15.110 6.013 1.00 0.00 C ATOM 340 CE3 TRP A 27 9.747 -13.205 4.596 1.00 0.00 C ATOM 341 CZ2 TRP A 27 11.498 -15.347 5.397 1.00 0.00 C ATOM 342 CZ3 TRP A 27 10.985 -13.455 3.989 1.00 0.00 C ATOM 343 CH2 TRP A 27 11.849 -14.480 4.354 1.00 0.00 C ATOM 0 H TRP A 27 7.680 -13.484 9.392 1.00 0.00 H new ATOM 0 HA TRP A 27 6.239 -11.665 7.620 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.207 -13.720 5.952 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.285 -12.348 5.790 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.746 -15.490 8.068 1.00 0.00 H new ATOM 0 HE1 TRP A 27 10.032 -16.601 7.555 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.099 -12.399 4.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.145 -16.154 5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 11.289 -12.806 3.181 1.00 0.00 H new ATOM 0 HH2 TRP A 27 12.788 -14.608 3.836 1.00 0.00 H new ATOM 353 N GLY A 28 4.224 -13.076 8.058 1.00 0.00 N ATOM 354 CA GLY A 28 3.038 -13.753 8.551 1.00 0.00 C ATOM 355 C GLY A 28 1.802 -13.355 7.740 1.00 0.00 C ATOM 356 O GLY A 28 1.718 -12.235 7.241 1.00 0.00 O ATOM 0 H GLY A 28 4.038 -12.275 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.182 -14.832 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.884 -13.505 9.601 1.00 0.00 H new ATOM 360 N ASP A 29 0.876 -14.296 7.636 1.00 0.00 N ATOM 361 CA ASP A 29 -0.351 -14.057 6.893 1.00 0.00 C ATOM 362 C ASP A 29 -1.444 -13.591 7.858 1.00 0.00 C ATOM 363 O ASP A 29 -2.440 -13.006 7.437 1.00 0.00 O ATOM 364 CB ASP A 29 -0.839 -15.337 6.210 1.00 0.00 C ATOM 365 CG ASP A 29 -0.661 -16.616 7.030 1.00 0.00 C ATOM 366 OD1 ASP A 29 -0.614 -16.579 8.269 1.00 0.00 O ATOM 367 OD2 ASP A 29 -0.570 -17.699 6.337 1.00 0.00 O ATOM 0 H ASP A 29 0.949 -15.224 8.053 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.145 -13.300 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.896 -15.222 5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.307 -15.452 5.265 1.00 0.00 H new ATOM 372 N TYR A 30 -1.218 -13.868 9.135 1.00 0.00 N ATOM 373 CA TYR A 30 -2.170 -13.484 10.162 1.00 0.00 C ATOM 374 C TYR A 30 -2.115 -11.977 10.426 1.00 0.00 C ATOM 375 O TYR A 30 -2.859 -11.462 11.260 1.00 0.00 O ATOM 376 CB TYR A 30 -1.746 -14.228 11.430 1.00 0.00 C ATOM 377 CG TYR A 30 -2.677 -14.004 12.624 1.00 0.00 C ATOM 378 CD1 TYR A 30 -4.044 -14.002 12.442 1.00 0.00 C ATOM 379 CD2 TYR A 30 -2.147 -13.805 13.883 1.00 0.00 C ATOM 380 CE1 TYR A 30 -4.921 -13.792 13.565 1.00 0.00 C ATOM 381 CE2 TYR A 30 -3.023 -13.595 15.007 1.00 0.00 C ATOM 382 CZ TYR A 30 -4.366 -13.599 14.792 1.00 0.00 C ATOM 383 OH TYR A 30 -5.193 -13.400 15.854 1.00 0.00 O ATOM 0 H TYR A 30 -0.390 -14.353 9.480 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.186 -13.729 9.854 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.699 -15.295 11.214 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.739 -13.914 11.704 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.457 -14.158 11.456 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.076 -13.807 14.025 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.993 -13.788 13.436 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.623 -13.438 15.998 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.659 -13.277 16.666 1.00 0.00 H new ATOM 392 N HIS A 31 -1.226 -11.314 9.701 1.00 0.00 N ATOM 393 CA HIS A 31 -1.064 -9.878 9.847 1.00 0.00 C ATOM 394 C HIS A 31 -1.550 -9.176 8.577 1.00 0.00 C ATOM 395 O HIS A 31 -1.973 -9.829 7.625 1.00 0.00 O ATOM 396 CB HIS A 31 0.383 -9.528 10.201 1.00 0.00 C ATOM 397 CG HIS A 31 1.117 -10.624 10.936 1.00 0.00 C ATOM 398 ND1 HIS A 31 0.821 -10.982 12.239 1.00 0.00 N ATOM 399 CD2 HIS A 31 2.138 -11.436 10.537 1.00 0.00 C ATOM 400 CE1 HIS A 31 1.632 -11.965 12.599 1.00 0.00 C ATOM 401 NE2 HIS A 31 2.448 -12.245 11.542 1.00 0.00 N ATOM 0 H HIS A 31 -0.611 -11.745 9.011 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.676 -9.521 10.675 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.924 -9.294 9.284 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.389 -8.627 10.814 1.00 0.00 H new ATOM 0 HD1 HIS A 31 0.100 -10.560 12.824 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.613 -11.423 9.567 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.645 -12.458 13.560 1.00 0.00 H new ATOM 408 N ALA A 32 -1.472 -7.853 8.605 1.00 0.00 N ATOM 409 CA ALA A 32 -1.900 -7.054 7.469 1.00 0.00 C ATOM 410 C ALA A 32 -0.773 -6.099 7.072 1.00 0.00 C ATOM 411 O ALA A 32 0.220 -5.972 7.785 1.00 0.00 O ATOM 412 CB ALA A 32 -3.193 -6.317 7.821 1.00 0.00 C ATOM 0 H ALA A 32 -1.119 -7.315 9.396 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.112 -7.690 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.514 -5.718 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.969 -7.041 8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.019 -5.666 8.678 1.00 0.00 H new ATOM 418 N ASP A 33 -0.967 -5.449 5.933 1.00 0.00 N ATOM 419 CA ASP A 33 0.021 -4.508 5.431 1.00 0.00 C ATOM 420 C ASP A 33 -0.599 -3.111 5.365 1.00 0.00 C ATOM 421 O ASP A 33 -1.817 -2.973 5.251 1.00 0.00 O ATOM 422 CB ASP A 33 0.478 -4.889 4.022 1.00 0.00 C ATOM 423 CG ASP A 33 -0.418 -4.381 2.892 1.00 0.00 C ATOM 424 OD1 ASP A 33 -1.650 -4.332 3.027 1.00 0.00 O ATOM 425 OD2 ASP A 33 0.205 -4.022 1.821 1.00 0.00 O ATOM 0 H ASP A 33 -1.793 -5.555 5.344 1.00 0.00 H new ATOM 0 HA ASP A 33 0.877 -4.526 6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.486 -4.504 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.538 -5.975 3.957 1.00 0.00 H new ATOM 430 N PHE A 34 0.266 -2.110 5.441 1.00 0.00 N ATOM 431 CA PHE A 34 -0.182 -0.728 5.391 1.00 0.00 C ATOM 432 C PHE A 34 0.310 -0.038 4.117 1.00 0.00 C ATOM 433 O PHE A 34 1.086 -0.613 3.356 1.00 0.00 O ATOM 434 CB PHE A 34 0.418 -0.019 6.607 1.00 0.00 C ATOM 435 CG PHE A 34 -0.333 -0.280 7.914 1.00 0.00 C ATOM 436 CD1 PHE A 34 -0.664 -1.552 8.266 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.671 0.758 8.723 1.00 0.00 C ATOM 438 CE1 PHE A 34 -1.362 -1.795 9.478 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.368 0.517 9.936 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.699 -0.755 10.288 1.00 0.00 C ATOM 0 H PHE A 34 1.275 -2.228 5.537 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.271 -0.689 5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.454 -0.337 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.434 1.054 6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.396 -2.377 7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.409 1.768 8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.625 -2.805 9.757 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.635 1.343 10.579 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.229 -0.939 11.211 1.00 0.00 H new ATOM 449 N LEU A 35 -0.162 1.186 3.927 1.00 0.00 N ATOM 450 CA LEU A 35 0.222 1.961 2.758 1.00 0.00 C ATOM 451 C LEU A 35 1.748 2.018 2.667 1.00 0.00 C ATOM 452 O LEU A 35 2.314 1.871 1.585 1.00 0.00 O ATOM 453 CB LEU A 35 -0.444 3.338 2.788 1.00 0.00 C ATOM 454 CG LEU A 35 -1.929 3.374 2.418 1.00 0.00 C ATOM 455 CD1 LEU A 35 -2.159 4.203 1.154 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.495 1.958 2.287 1.00 0.00 C ATOM 0 H LEU A 35 -0.805 1.659 4.561 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.133 1.479 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.329 3.753 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.096 3.996 2.107 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.471 3.864 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.222 4.212 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.816 5.224 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.603 3.765 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.551 2.011 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.954 1.420 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.384 1.432 3.235 1.00 0.00 H new ATOM 467 N GLY A 36 2.370 2.231 3.817 1.00 0.00 N ATOM 468 CA GLY A 36 3.820 2.309 3.880 1.00 0.00 C ATOM 469 C GLY A 36 4.462 1.024 3.352 1.00 0.00 C ATOM 470 O GLY A 36 5.667 0.981 3.113 1.00 0.00 O ATOM 0 H GLY A 36 1.897 2.352 4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.168 3.160 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.134 2.480 4.910 1.00 0.00 H new ATOM 474 N GLU A 37 3.627 0.008 3.187 1.00 0.00 N ATOM 475 CA GLU A 37 4.097 -1.274 2.692 1.00 0.00 C ATOM 476 C GLU A 37 4.973 -1.960 3.743 1.00 0.00 C ATOM 477 O GLU A 37 6.126 -2.291 3.474 1.00 0.00 O ATOM 478 CB GLU A 37 4.853 -1.109 1.372 1.00 0.00 C ATOM 479 CG GLU A 37 5.333 -2.461 0.841 1.00 0.00 C ATOM 480 CD GLU A 37 6.749 -2.356 0.272 1.00 0.00 C ATOM 481 OE1 GLU A 37 6.916 -2.132 -0.937 1.00 0.00 O ATOM 482 OE2 GLU A 37 7.696 -2.513 1.133 1.00 0.00 O ATOM 0 H GLU A 37 2.628 0.047 3.388 1.00 0.00 H new ATOM 0 HA GLU A 37 3.230 -1.907 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.205 -0.634 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.707 -0.448 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.314 -3.198 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.652 -2.814 0.067 1.00 0.00 H new ATOM 488 N ASP A 38 4.391 -2.152 4.918 1.00 0.00 N ATOM 489 CA ASP A 38 5.104 -2.792 6.010 1.00 0.00 C ATOM 490 C ASP A 38 4.106 -3.539 6.897 1.00 0.00 C ATOM 491 O ASP A 38 2.905 -3.530 6.630 1.00 0.00 O ATOM 492 CB ASP A 38 5.826 -1.758 6.877 1.00 0.00 C ATOM 493 CG ASP A 38 5.059 -0.454 7.101 1.00 0.00 C ATOM 494 OD1 ASP A 38 4.304 -0.316 8.074 1.00 0.00 O ATOM 495 OD2 ASP A 38 5.265 0.458 6.213 1.00 0.00 O ATOM 0 H ASP A 38 3.434 -1.876 5.137 1.00 0.00 H new ATOM 0 HA ASP A 38 5.835 -3.476 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.042 -2.206 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.784 -1.523 6.414 1.00 0.00 H new ATOM 500 N LEU A 39 4.639 -4.169 7.933 1.00 0.00 N ATOM 501 CA LEU A 39 3.809 -4.919 8.861 1.00 0.00 C ATOM 502 C LEU A 39 4.158 -4.511 10.294 1.00 0.00 C ATOM 503 O LEU A 39 5.288 -4.701 10.740 1.00 0.00 O ATOM 504 CB LEU A 39 3.939 -6.421 8.601 1.00 0.00 C ATOM 505 CG LEU A 39 2.718 -7.272 8.957 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.235 -8.073 7.746 1.00 0.00 C ATOM 507 CD2 LEU A 39 3.008 -8.170 10.161 1.00 0.00 C ATOM 0 H LEU A 39 5.635 -4.176 8.151 1.00 0.00 H new ATOM 0 HA LEU A 39 2.756 -4.682 8.709 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.164 -6.569 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.794 -6.794 9.165 1.00 0.00 H new ATOM 0 HG LEU A 39 1.907 -6.603 9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.367 -8.669 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.961 -7.389 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.033 -8.733 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.124 -8.764 10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.840 -8.834 9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.266 -7.553 11.021 1.00 0.00 H new ATOM 518 N PHE A 40 3.164 -3.958 10.975 1.00 0.00 N ATOM 519 CA PHE A 40 3.351 -3.522 12.348 1.00 0.00 C ATOM 520 C PHE A 40 2.682 -4.490 13.327 1.00 0.00 C ATOM 521 O PHE A 40 2.363 -4.116 14.454 1.00 0.00 O ATOM 522 CB PHE A 40 2.689 -2.148 12.475 1.00 0.00 C ATOM 523 CG PHE A 40 1.237 -2.199 12.954 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.273 -2.717 12.145 1.00 0.00 C ATOM 525 CD2 PHE A 40 0.909 -1.728 14.187 1.00 0.00 C ATOM 526 CE1 PHE A 40 -1.075 -2.764 12.589 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.439 -1.775 14.630 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.402 -2.292 13.821 1.00 0.00 C ATOM 0 H PHE A 40 2.228 -3.802 10.601 1.00 0.00 H new ATOM 0 HA PHE A 40 4.414 -3.485 12.585 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.269 -1.540 13.169 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.724 -1.648 11.507 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.533 -3.092 11.166 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.674 -1.318 14.829 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.841 -3.175 11.948 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.699 -1.400 15.609 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.428 -2.328 14.158 1.00 0.00 H new ATOM 537 N PHE A 41 2.490 -5.714 12.860 1.00 0.00 N ATOM 538 CA PHE A 41 1.865 -6.739 13.679 1.00 0.00 C ATOM 539 C PHE A 41 2.882 -7.801 14.099 1.00 0.00 C ATOM 540 O PHE A 41 2.539 -8.752 14.800 1.00 0.00 O ATOM 541 CB PHE A 41 0.781 -7.397 12.823 1.00 0.00 C ATOM 542 CG PHE A 41 -0.626 -7.299 13.416 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.329 -6.141 13.310 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.173 -8.372 14.049 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.635 -6.050 13.861 1.00 0.00 C ATOM 546 CE2 PHE A 41 -2.479 -8.282 14.598 1.00 0.00 C ATOM 547 CZ PHE A 41 -3.182 -7.122 14.493 1.00 0.00 C ATOM 0 H PHE A 41 2.756 -6.020 11.924 1.00 0.00 H new ATOM 0 HA PHE A 41 1.453 -6.292 14.584 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.781 -6.934 11.836 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.032 -8.448 12.682 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.895 -5.290 12.807 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.614 -9.292 14.134 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.193 -5.129 13.778 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.914 -9.134 15.099 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.175 -7.053 14.912 1.00 0.00 H new ATOM 556 N CYS A 42 4.114 -7.604 13.654 1.00 0.00 N ATOM 557 CA CYS A 42 5.184 -8.533 13.976 1.00 0.00 C ATOM 558 C CYS A 42 6.040 -7.917 15.085 1.00 0.00 C ATOM 559 O CYS A 42 6.232 -8.525 16.136 1.00 0.00 O ATOM 560 CB CYS A 42 6.017 -8.885 12.742 1.00 0.00 C ATOM 561 SG CYS A 42 6.317 -7.384 11.739 1.00 0.00 S ATOM 0 H CYS A 42 4.395 -6.814 13.073 1.00 0.00 H new ATOM 0 HA CYS A 42 4.758 -9.473 14.327 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.967 -9.324 13.048 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.498 -9.634 12.144 1.00 0.00 H new ATOM 0 HG CYS A 42 7.221 -6.650 12.317 1.00 0.00 H new ATOM 566 N CYS A 43 6.530 -6.716 14.811 1.00 0.00 N ATOM 567 CA CYS A 43 7.361 -6.011 15.772 1.00 0.00 C ATOM 568 C CYS A 43 6.567 -4.819 16.309 1.00 0.00 C ATOM 569 O CYS A 43 6.323 -4.721 17.511 1.00 0.00 O ATOM 570 CB CYS A 43 8.694 -5.579 15.158 1.00 0.00 C ATOM 571 SG CYS A 43 8.443 -5.052 13.424 1.00 0.00 S ATOM 0 H CYS A 43 6.367 -6.214 13.938 1.00 0.00 H new ATOM 0 HA CYS A 43 7.615 -6.678 16.596 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.122 -4.761 15.737 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.406 -6.404 15.197 1.00 0.00 H new ATOM 0 HG CYS A 43 9.260 -5.702 12.650 1.00 0.00 H new ATOM 576 N ASP A 44 6.184 -3.942 15.393 1.00 0.00 N ATOM 577 CA ASP A 44 5.422 -2.760 15.759 1.00 0.00 C ATOM 578 C ASP A 44 6.295 -1.842 16.618 1.00 0.00 C ATOM 579 O ASP A 44 5.790 -0.927 17.267 1.00 0.00 O ATOM 580 CB ASP A 44 4.184 -3.134 16.574 1.00 0.00 C ATOM 581 CG ASP A 44 4.369 -3.080 18.093 1.00 0.00 C ATOM 582 OD1 ASP A 44 5.485 -2.879 18.593 1.00 0.00 O ATOM 583 OD2 ASP A 44 3.291 -3.258 18.779 1.00 0.00 O ATOM 0 H ASP A 44 6.387 -4.026 14.397 1.00 0.00 H new ATOM 0 HA ASP A 44 5.112 -2.261 14.841 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.370 -2.464 16.298 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.875 -4.142 16.296 1.00 0.00 H new ATOM 588 N ILE A 45 7.591 -2.119 16.595 1.00 0.00 N ATOM 589 CA ILE A 45 8.538 -1.330 17.364 1.00 0.00 C ATOM 590 C ILE A 45 9.277 -0.373 16.427 1.00 0.00 C ATOM 591 O ILE A 45 9.167 0.845 16.564 1.00 0.00 O ATOM 592 CB ILE A 45 9.466 -2.242 18.169 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.981 -2.382 19.613 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.914 -1.752 18.096 1.00 0.00 C ATOM 595 CD1 ILE A 45 9.172 -1.076 20.385 1.00 0.00 C ATOM 0 H ILE A 45 8.007 -2.879 16.056 1.00 0.00 H new ATOM 0 HA ILE A 45 8.016 -0.717 18.099 1.00 0.00 H new ATOM 0 HB ILE A 45 9.439 -3.236 17.723 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.928 -2.662 19.621 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.528 -3.184 20.108 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.553 -2.418 18.676 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.244 -1.746 17.057 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.977 -0.743 18.502 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.819 -1.203 21.408 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.229 -0.811 20.396 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.604 -0.281 19.902 1.00 0.00 H new ATOM 606 N CYS A 46 10.015 -0.960 15.495 1.00 0.00 N ATOM 607 CA CYS A 46 10.773 -0.174 14.536 1.00 0.00 C ATOM 608 C CYS A 46 9.861 0.142 13.349 1.00 0.00 C ATOM 609 O CYS A 46 10.155 1.036 12.557 1.00 0.00 O ATOM 610 CB CYS A 46 12.049 -0.894 14.099 1.00 0.00 C ATOM 611 SG CYS A 46 11.635 -2.286 12.987 1.00 0.00 S ATOM 0 H CYS A 46 10.104 -1.970 15.384 1.00 0.00 H new ATOM 0 HA CYS A 46 11.100 0.756 15.000 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.713 -0.196 13.589 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.585 -1.264 14.973 1.00 0.00 H new ATOM 0 HG CYS A 46 12.727 -2.888 12.621 1.00 0.00 H new ATOM 616 N ALA A 47 8.773 -0.609 13.262 1.00 0.00 N ATOM 617 CA ALA A 47 7.816 -0.420 12.184 1.00 0.00 C ATOM 618 C ALA A 47 6.630 0.398 12.699 1.00 0.00 C ATOM 619 O ALA A 47 6.505 0.629 13.901 1.00 0.00 O ATOM 620 CB ALA A 47 7.391 -1.782 11.634 1.00 0.00 C ATOM 0 H ALA A 47 8.532 -1.350 13.920 1.00 0.00 H new ATOM 0 HA ALA A 47 8.268 0.136 11.362 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.673 -1.640 10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.266 -2.310 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.930 -2.368 12.429 1.00 0.00 H new ATOM 626 N ALA A 48 5.789 0.814 11.763 1.00 0.00 N ATOM 627 CA ALA A 48 4.617 1.601 12.107 1.00 0.00 C ATOM 628 C ALA A 48 5.035 3.053 12.345 1.00 0.00 C ATOM 629 O ALA A 48 4.923 3.560 13.460 1.00 0.00 O ATOM 630 CB ALA A 48 3.928 0.985 13.327 1.00 0.00 C ATOM 0 H ALA A 48 5.896 0.621 10.767 1.00 0.00 H new ATOM 0 HA ALA A 48 3.897 1.595 11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.049 1.575 13.585 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.624 -0.036 13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.619 0.976 14.170 1.00 0.00 H new ATOM 636 N GLU A 49 5.508 3.682 11.279 1.00 0.00 N ATOM 637 CA GLU A 49 5.943 5.066 11.358 1.00 0.00 C ATOM 638 C GLU A 49 4.748 6.008 11.203 1.00 0.00 C ATOM 639 O GLU A 49 3.810 5.710 10.465 1.00 0.00 O ATOM 640 CB GLU A 49 7.016 5.364 10.309 1.00 0.00 C ATOM 641 CG GLU A 49 8.335 4.673 10.661 1.00 0.00 C ATOM 642 CD GLU A 49 8.190 3.151 10.597 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.114 2.491 11.644 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.157 2.656 9.406 1.00 0.00 O ATOM 0 H GLU A 49 5.599 3.258 10.356 1.00 0.00 H new ATOM 0 HA GLU A 49 6.386 5.232 12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.675 5.028 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.173 6.440 10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.115 4.997 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.650 4.970 11.661 1.00 0.00 H new ATOM 650 N PHE A 50 4.819 7.126 11.911 1.00 0.00 N ATOM 651 CA PHE A 50 3.755 8.113 11.861 1.00 0.00 C ATOM 652 C PHE A 50 3.810 8.913 10.558 1.00 0.00 C ATOM 653 O PHE A 50 3.009 9.822 10.350 1.00 0.00 O ATOM 654 CB PHE A 50 3.971 9.065 13.040 1.00 0.00 C ATOM 655 CG PHE A 50 5.407 9.577 13.169 1.00 0.00 C ATOM 656 CD1 PHE A 50 5.952 10.330 12.176 1.00 0.00 C ATOM 657 CD2 PHE A 50 6.137 9.281 14.277 1.00 0.00 C ATOM 658 CE1 PHE A 50 7.284 10.807 12.297 1.00 0.00 C ATOM 659 CE2 PHE A 50 7.470 9.758 14.398 1.00 0.00 C ATOM 660 CZ PHE A 50 8.015 10.511 13.404 1.00 0.00 C ATOM 0 H PHE A 50 5.598 7.370 12.523 1.00 0.00 H new ATOM 0 HA PHE A 50 2.786 7.617 11.911 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.300 9.917 12.934 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.694 8.554 13.962 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.372 10.565 11.296 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.704 8.683 15.065 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.717 11.405 11.509 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.050 9.523 15.278 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.028 10.873 13.495 1.00 0.00 H new ATOM 669 N MET A 51 4.763 8.545 9.715 1.00 0.00 N ATOM 670 CA MET A 51 4.932 9.217 8.438 1.00 0.00 C ATOM 671 C MET A 51 3.814 8.838 7.466 1.00 0.00 C ATOM 672 O MET A 51 3.777 9.325 6.337 1.00 0.00 O ATOM 673 CB MET A 51 6.286 8.833 7.834 1.00 0.00 C ATOM 674 CG MET A 51 6.264 7.396 7.311 1.00 0.00 C ATOM 675 SD MET A 51 7.894 6.922 6.761 1.00 0.00 S ATOM 676 CE MET A 51 7.836 7.509 5.076 1.00 0.00 C ATOM 0 H MET A 51 5.426 7.790 9.891 1.00 0.00 H new ATOM 0 HA MET A 51 4.891 10.293 8.607 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.533 9.516 7.021 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.067 8.938 8.587 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.925 6.720 8.096 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.554 7.311 6.488 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.551 6.951 4.471 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.832 7.366 4.675 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.089 8.569 5.051 1.00 0.00 H new ATOM 684 N ASN A 52 2.929 7.973 7.939 1.00 0.00 N ATOM 685 CA ASN A 52 1.813 7.523 7.126 1.00 0.00 C ATOM 686 C ASN A 52 0.514 8.108 7.683 1.00 0.00 C ATOM 687 O ASN A 52 0.499 8.665 8.780 1.00 0.00 O ATOM 688 CB ASN A 52 1.693 5.997 7.151 1.00 0.00 C ATOM 689 CG ASN A 52 2.587 5.361 6.086 1.00 0.00 C ATOM 690 OD1 ASN A 52 2.126 4.746 5.137 1.00 0.00 O ATOM 691 ND2 ASN A 52 3.889 5.539 6.294 1.00 0.00 N ATOM 0 H ASN A 52 2.963 7.572 8.876 1.00 0.00 H new ATOM 0 HA ASN A 52 1.986 7.855 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.972 5.623 8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.656 5.707 6.981 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.568 5.151 5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.208 6.064 7.108 1.00 0.00 H new ATOM 697 N MET A 53 -0.546 7.963 6.901 1.00 0.00 N ATOM 698 CA MET A 53 -1.847 8.472 7.302 1.00 0.00 C ATOM 699 C MET A 53 -2.634 7.413 8.078 1.00 0.00 C ATOM 700 O MET A 53 -2.349 6.221 7.970 1.00 0.00 O ATOM 701 CB MET A 53 -2.638 8.887 6.060 1.00 0.00 C ATOM 702 CG MET A 53 -3.343 10.227 6.282 1.00 0.00 C ATOM 703 SD MET A 53 -3.325 11.184 4.776 1.00 0.00 S ATOM 704 CE MET A 53 -4.003 12.721 5.377 1.00 0.00 C ATOM 0 H MET A 53 -0.531 7.500 5.992 1.00 0.00 H new ATOM 0 HA MET A 53 -1.695 9.334 7.952 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.966 8.963 5.205 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.374 8.120 5.820 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.371 10.058 6.602 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.847 10.780 7.080 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.062 13.438 4.558 1.00 0.00 H new ATOM 0 HE2 MET A 53 -5.001 12.546 5.778 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.361 13.120 6.162 1.00 0.00 H new ATOM 712 N MET A 54 -3.607 7.886 8.842 1.00 0.00 N ATOM 713 CA MET A 54 -4.436 6.995 9.636 1.00 0.00 C ATOM 714 C MET A 54 -5.268 6.076 8.738 1.00 0.00 C ATOM 715 O MET A 54 -5.241 4.857 8.897 1.00 0.00 O ATOM 716 CB MET A 54 -5.368 7.821 10.525 1.00 0.00 C ATOM 717 CG MET A 54 -4.569 8.693 11.495 1.00 0.00 C ATOM 718 SD MET A 54 -4.492 10.370 10.890 1.00 0.00 S ATOM 719 CE MET A 54 -2.736 10.666 11.016 1.00 0.00 C ATOM 0 H MET A 54 -3.840 8.875 8.928 1.00 0.00 H new ATOM 0 HA MET A 54 -3.785 6.377 10.254 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.005 8.451 9.904 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.026 7.156 11.085 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.034 8.675 12.481 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.562 8.293 11.611 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.512 11.677 10.675 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.422 10.555 12.054 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.200 9.947 10.396 1.00 0.00 H new ATOM 727 N ASP A 55 -5.987 6.697 7.815 1.00 0.00 N ATOM 728 CA ASP A 55 -6.825 5.951 6.893 1.00 0.00 C ATOM 729 C ASP A 55 -6.029 4.773 6.325 1.00 0.00 C ATOM 730 O ASP A 55 -6.585 3.702 6.085 1.00 0.00 O ATOM 731 CB ASP A 55 -7.272 6.827 5.721 1.00 0.00 C ATOM 732 CG ASP A 55 -8.782 7.055 5.622 1.00 0.00 C ATOM 733 OD1 ASP A 55 -9.245 8.182 5.395 1.00 0.00 O ATOM 734 OD2 ASP A 55 -9.504 5.998 5.791 1.00 0.00 O ATOM 0 H ASP A 55 -6.006 7.709 7.686 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.702 5.606 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.778 7.795 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.927 6.370 4.793 1.00 0.00 H new ATOM 739 N GLU A 56 -4.741 5.012 6.129 1.00 0.00 N ATOM 740 CA GLU A 56 -3.863 3.984 5.594 1.00 0.00 C ATOM 741 C GLU A 56 -4.056 2.672 6.356 1.00 0.00 C ATOM 742 O GLU A 56 -4.135 1.605 5.751 1.00 0.00 O ATOM 743 CB GLU A 56 -2.401 4.434 5.641 1.00 0.00 C ATOM 744 CG GLU A 56 -2.242 5.841 5.057 1.00 0.00 C ATOM 745 CD GLU A 56 -1.010 5.922 4.154 1.00 0.00 C ATOM 746 OE1 GLU A 56 -1.143 5.927 2.921 1.00 0.00 O ATOM 747 OE2 GLU A 56 0.120 5.983 4.776 1.00 0.00 O ATOM 0 H GLU A 56 -4.284 5.901 6.331 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.125 3.817 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.046 4.422 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.782 3.732 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.133 6.105 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.153 6.567 5.866 1.00 0.00 H new ATOM 753 N ALA A 57 -4.127 2.794 7.674 1.00 0.00 N ATOM 754 CA ALA A 57 -4.310 1.631 8.525 1.00 0.00 C ATOM 755 C ALA A 57 -5.679 1.010 8.245 1.00 0.00 C ATOM 756 O ALA A 57 -5.799 -0.209 8.120 1.00 0.00 O ATOM 757 CB ALA A 57 -4.142 2.038 9.990 1.00 0.00 C ATOM 0 H ALA A 57 -4.061 3.681 8.173 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.555 0.875 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.279 1.165 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.142 2.445 10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.884 2.794 10.245 1.00 0.00 H new ATOM 763 N PHE A 58 -6.679 1.875 8.154 1.00 0.00 N ATOM 764 CA PHE A 58 -8.036 1.428 7.892 1.00 0.00 C ATOM 765 C PHE A 58 -8.062 0.386 6.771 1.00 0.00 C ATOM 766 O PHE A 58 -8.869 -0.542 6.799 1.00 0.00 O ATOM 767 CB PHE A 58 -8.835 2.655 7.451 1.00 0.00 C ATOM 768 CG PHE A 58 -10.126 2.874 8.241 1.00 0.00 C ATOM 769 CD1 PHE A 58 -10.868 1.807 8.642 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.534 4.136 8.543 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.066 2.010 9.375 1.00 0.00 C ATOM 772 CE2 PHE A 58 -11.732 4.340 9.277 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.473 3.272 9.678 1.00 0.00 C ATOM 0 H PHE A 58 -6.576 2.884 8.257 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.457 0.970 8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.206 3.540 7.550 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.081 2.555 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.545 0.805 8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.946 4.984 8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.655 1.162 9.692 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -12.055 5.342 9.517 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.384 3.426 10.237 1.00 0.00 H new ATOM 782 N LYS A 59 -7.170 0.576 5.809 1.00 0.00 N ATOM 783 CA LYS A 59 -7.081 -0.334 4.680 1.00 0.00 C ATOM 784 C LYS A 59 -7.140 -1.777 5.188 1.00 0.00 C ATOM 785 O LYS A 59 -7.880 -2.597 4.649 1.00 0.00 O ATOM 786 CB LYS A 59 -5.838 -0.028 3.842 1.00 0.00 C ATOM 787 CG LYS A 59 -5.637 -1.084 2.753 1.00 0.00 C ATOM 788 CD LYS A 59 -4.528 -0.669 1.784 1.00 0.00 C ATOM 789 CE LYS A 59 -5.112 -0.018 0.529 1.00 0.00 C ATOM 790 NZ LYS A 59 -5.890 1.190 0.885 1.00 0.00 N ATOM 0 H LYS A 59 -6.503 1.347 5.789 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.930 -0.196 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.937 0.957 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.960 0.006 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.385 -2.040 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.568 -1.228 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.851 0.028 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.939 -1.542 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.308 0.249 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.752 -0.729 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.890 1.852 0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.869 0.919 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.459 1.649 1.713 1.00 0.00 H new ATOM 799 N HIS A 60 -6.351 -2.039 6.219 1.00 0.00 N ATOM 800 CA HIS A 60 -6.304 -3.369 6.805 1.00 0.00 C ATOM 801 C HIS A 60 -7.728 -3.859 7.080 1.00 0.00 C ATOM 802 O HIS A 60 -8.087 -4.973 6.705 1.00 0.00 O ATOM 803 CB HIS A 60 -5.422 -3.380 8.055 1.00 0.00 C ATOM 804 CG HIS A 60 -6.193 -3.474 9.350 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.691 -4.667 9.841 1.00 0.00 N ATOM 806 CD2 HIS A 60 -6.544 -2.510 10.250 1.00 0.00 C ATOM 807 CE1 HIS A 60 -7.314 -4.421 10.985 1.00 0.00 C ATOM 808 NE2 HIS A 60 -7.222 -3.084 11.236 1.00 0.00 N ATOM 0 H HIS A 60 -5.740 -1.354 6.664 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.847 -4.065 6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.732 -4.222 7.993 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.818 -2.473 8.069 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.310 -1.459 10.173 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.808 -5.151 11.609 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.610 -2.604 12.048 1.00 0.00 H new ATOM 815 N THR A 61 -8.500 -3.000 7.731 1.00 0.00 N ATOM 816 CA THR A 61 -9.875 -3.331 8.060 1.00 0.00 C ATOM 817 C THR A 61 -10.706 -3.490 6.785 1.00 0.00 C ATOM 818 O THR A 61 -11.608 -4.323 6.726 1.00 0.00 O ATOM 819 CB THR A 61 -10.409 -2.252 9.003 1.00 0.00 C ATOM 820 OG1 THR A 61 -9.793 -2.546 10.254 1.00 0.00 O ATOM 821 CG2 THR A 61 -11.906 -2.403 9.280 1.00 0.00 C ATOM 0 H THR A 61 -8.198 -2.076 8.039 1.00 0.00 H new ATOM 0 HA THR A 61 -9.938 -4.291 8.573 1.00 0.00 H new ATOM 0 HB THR A 61 -10.217 -1.269 8.573 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.084 -1.892 10.924 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.233 -1.612 9.955 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.458 -2.332 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.095 -3.373 9.740 1.00 0.00 H new ATOM 829 N ALA A 62 -10.371 -2.675 5.795 1.00 0.00 N ATOM 830 CA ALA A 62 -11.074 -2.714 4.523 1.00 0.00 C ATOM 831 C ALA A 62 -10.868 -4.083 3.873 1.00 0.00 C ATOM 832 O ALA A 62 -11.834 -4.781 3.570 1.00 0.00 O ATOM 833 CB ALA A 62 -10.586 -1.567 3.635 1.00 0.00 C ATOM 0 H ALA A 62 -9.623 -1.984 5.848 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.145 -2.578 4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.113 -1.596 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.782 -0.615 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.515 -1.672 3.461 1.00 0.00 H new ATOM 839 N ARG A 63 -9.603 -4.426 3.677 1.00 0.00 N ATOM 840 CA ARG A 63 -9.259 -5.700 3.069 1.00 0.00 C ATOM 841 C ARG A 63 -9.433 -6.835 4.079 1.00 0.00 C ATOM 842 O ARG A 63 -9.020 -7.966 3.825 1.00 0.00 O ATOM 843 CB ARG A 63 -7.815 -5.694 2.562 1.00 0.00 C ATOM 844 CG ARG A 63 -6.836 -5.379 3.695 1.00 0.00 C ATOM 845 CD ARG A 63 -5.890 -6.554 3.945 1.00 0.00 C ATOM 846 NE ARG A 63 -6.228 -7.214 5.226 1.00 0.00 N ATOM 847 CZ ARG A 63 -5.915 -8.492 5.525 1.00 0.00 C ATOM 848 NH1 ARG A 63 -5.253 -9.261 4.636 1.00 0.00 N ATOM 849 NH2 ARG A 63 -6.267 -8.979 6.701 1.00 0.00 N ATOM 0 H ARG A 63 -8.804 -3.844 3.929 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.929 -5.857 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.574 -6.665 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.708 -4.955 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.258 -4.489 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.390 -5.153 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.963 -7.271 3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.859 -6.202 3.969 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.729 -6.668 5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.985 -8.877 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.020 -10.226 4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.768 -8.391 7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.038 -9.943 6.943 1.00 0.00 H new ATOM 859 N HIS A 64 -10.046 -6.495 5.203 1.00 0.00 N ATOM 860 CA HIS A 64 -10.281 -7.473 6.253 1.00 0.00 C ATOM 861 C HIS A 64 -11.448 -8.378 5.859 1.00 0.00 C ATOM 862 O HIS A 64 -11.270 -9.580 5.666 1.00 0.00 O ATOM 863 CB HIS A 64 -10.494 -6.781 7.601 1.00 0.00 C ATOM 864 CG HIS A 64 -10.412 -7.712 8.788 1.00 0.00 C ATOM 865 ND1 HIS A 64 -11.137 -8.887 8.871 1.00 0.00 N ATOM 866 CD2 HIS A 64 -9.682 -7.628 9.936 1.00 0.00 C ATOM 867 CE1 HIS A 64 -10.850 -9.476 10.022 1.00 0.00 C ATOM 868 NE2 HIS A 64 -9.949 -8.693 10.682 1.00 0.00 N ATOM 0 H HIS A 64 -10.387 -5.556 5.410 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.401 -8.106 6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.748 -5.995 7.716 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.470 -6.296 7.599 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.002 -6.830 10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.258 -10.412 10.376 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.547 -8.893 11.598 1.00 0.00 H new ATOM 875 N ASN A 65 -12.619 -7.767 5.751 1.00 0.00 N ATOM 876 CA ASN A 65 -13.816 -8.504 5.383 1.00 0.00 C ATOM 877 C ASN A 65 -14.317 -8.009 4.024 1.00 0.00 C ATOM 878 O ASN A 65 -14.557 -8.808 3.119 1.00 0.00 O ATOM 879 CB ASN A 65 -14.933 -8.285 6.405 1.00 0.00 C ATOM 880 CG ASN A 65 -14.367 -8.193 7.824 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.021 -9.183 8.447 1.00 0.00 O ATOM 882 ND2 ASN A 65 -14.293 -6.953 8.297 1.00 0.00 N ATOM 0 H ASN A 65 -12.764 -6.770 5.912 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.562 -9.563 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.475 -7.370 6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.649 -9.105 6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.929 -6.786 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.600 -6.169 7.722 1.00 0.00 H new ATOM 888 N VAL A 66 -14.459 -6.697 3.924 1.00 0.00 N ATOM 889 CA VAL A 66 -14.926 -6.087 2.690 1.00 0.00 C ATOM 890 C VAL A 66 -13.722 -5.650 1.853 1.00 0.00 C ATOM 891 O VAL A 66 -12.641 -6.228 1.966 1.00 0.00 O ATOM 892 CB VAL A 66 -15.883 -4.935 3.005 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.882 -4.725 1.866 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.607 -5.172 4.332 1.00 0.00 C ATOM 0 H VAL A 66 -14.259 -6.038 4.677 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.489 -6.808 2.098 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.291 -4.025 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.550 -3.901 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.343 -4.490 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -17.466 -5.634 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -17.281 -4.339 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.181 -6.097 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.876 -5.249 5.137 1.00 0.00 H new ATOM 904 N ASP A 67 -13.948 -4.636 1.033 1.00 0.00 N ATOM 905 CA ASP A 67 -12.894 -4.116 0.177 1.00 0.00 C ATOM 906 C ASP A 67 -12.978 -2.588 0.143 1.00 0.00 C ATOM 907 O ASP A 67 -14.056 -2.027 -0.049 1.00 0.00 O ATOM 908 CB ASP A 67 -13.044 -4.630 -1.255 1.00 0.00 C ATOM 909 CG ASP A 67 -12.263 -5.906 -1.570 1.00 0.00 C ATOM 910 OD1 ASP A 67 -11.030 -5.951 -1.436 1.00 0.00 O ATOM 911 OD2 ASP A 67 -12.980 -6.901 -1.973 1.00 0.00 O ATOM 0 H ASP A 67 -14.845 -4.160 0.942 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.937 -4.448 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.101 -4.811 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.723 -3.847 -1.941 1.00 0.00 H new ATOM 916 N GLU A 68 -11.828 -1.960 0.330 1.00 0.00 N ATOM 917 CA GLU A 68 -11.758 -0.508 0.324 1.00 0.00 C ATOM 918 C GLU A 68 -10.436 -0.044 -0.292 1.00 0.00 C ATOM 919 O GLU A 68 -9.389 -0.638 -0.044 1.00 0.00 O ATOM 920 CB GLU A 68 -11.934 0.056 1.734 1.00 0.00 C ATOM 921 CG GLU A 68 -12.800 1.317 1.717 1.00 0.00 C ATOM 922 CD GLU A 68 -11.937 2.577 1.791 1.00 0.00 C ATOM 923 OE1 GLU A 68 -10.734 2.488 2.078 1.00 0.00 O ATOM 924 OE2 GLU A 68 -12.557 3.679 1.536 1.00 0.00 O ATOM 0 H GLU A 68 -10.936 -2.429 0.487 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.576 -0.127 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.393 -0.696 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.958 0.287 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.401 1.337 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.494 1.297 2.558 1.00 0.00 H new ATOM 930 N LEU A 69 -10.528 1.016 -1.083 1.00 0.00 N ATOM 931 CA LEU A 69 -9.354 1.566 -1.735 1.00 0.00 C ATOM 932 C LEU A 69 -9.365 3.091 -1.596 1.00 0.00 C ATOM 933 O LEU A 69 -10.388 3.731 -1.835 1.00 0.00 O ATOM 934 CB LEU A 69 -9.269 1.082 -3.184 1.00 0.00 C ATOM 935 CG LEU A 69 -9.556 -0.402 -3.414 1.00 0.00 C ATOM 936 CD1 LEU A 69 -8.639 -1.278 -2.555 1.00 0.00 C ATOM 937 CD2 LEU A 69 -11.035 -0.719 -3.177 1.00 0.00 C ATOM 0 H LEU A 69 -11.398 1.508 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.446 1.207 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.970 1.664 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.270 1.301 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.340 -0.633 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.864 -2.329 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.599 -1.079 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.801 -1.050 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.211 -1.781 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.301 -0.467 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.647 -0.135 -3.864 1.00 0.00 H new ATOM 948 N HIS A 70 -8.217 3.626 -1.211 1.00 0.00 N ATOM 949 CA HIS A 70 -8.082 5.062 -1.037 1.00 0.00 C ATOM 950 C HIS A 70 -6.675 5.500 -1.448 1.00 0.00 C ATOM 951 O HIS A 70 -5.698 4.811 -1.160 1.00 0.00 O ATOM 952 CB HIS A 70 -8.435 5.471 0.395 1.00 0.00 C ATOM 953 CG HIS A 70 -9.423 6.610 0.483 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.459 7.643 -0.438 1.00 0.00 N ATOM 955 CD2 HIS A 70 -10.408 6.868 1.390 1.00 0.00 C ATOM 956 CE1 HIS A 70 -10.426 8.479 -0.090 1.00 0.00 C ATOM 957 NE2 HIS A 70 -11.013 7.997 1.043 1.00 0.00 N ATOM 0 H HIS A 70 -7.371 3.091 -1.014 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.789 5.578 -1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.845 4.607 0.918 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.521 5.755 0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.654 6.257 2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.701 9.384 -0.612 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.789 8.433 1.541 1.00 0.00 H new ATOM 964 N ILE A 71 -6.618 6.643 -2.117 1.00 0.00 N ATOM 965 CA ILE A 71 -5.346 7.180 -2.572 1.00 0.00 C ATOM 966 C ILE A 71 -5.290 8.676 -2.259 1.00 0.00 C ATOM 967 O ILE A 71 -6.217 9.417 -2.581 1.00 0.00 O ATOM 968 CB ILE A 71 -5.124 6.851 -4.049 1.00 0.00 C ATOM 969 CG1 ILE A 71 -5.482 8.044 -4.937 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.887 5.588 -4.451 1.00 0.00 C ATOM 971 CD1 ILE A 71 -5.288 7.707 -6.416 1.00 0.00 C ATOM 0 H ILE A 71 -7.431 7.211 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.520 6.711 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.064 6.647 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.517 8.335 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.860 8.899 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.712 5.377 -5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.541 4.747 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.954 5.738 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.550 8.573 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.246 7.440 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.929 6.868 -6.685 1.00 0.00 H new ATOM 982 N ASP A 72 -4.191 9.076 -1.636 1.00 0.00 N ATOM 983 CA ASP A 72 -4.001 10.471 -1.276 1.00 0.00 C ATOM 984 C ASP A 72 -2.519 10.830 -1.408 1.00 0.00 C ATOM 985 O ASP A 72 -1.651 10.036 -1.049 1.00 0.00 O ATOM 986 CB ASP A 72 -4.423 10.730 0.172 1.00 0.00 C ATOM 987 CG ASP A 72 -5.245 12.001 0.388 1.00 0.00 C ATOM 988 OD1 ASP A 72 -6.478 11.996 0.253 1.00 0.00 O ATOM 989 OD2 ASP A 72 -4.561 13.045 0.713 1.00 0.00 O ATOM 0 H ASP A 72 -3.423 8.459 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.613 11.077 -1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.002 9.876 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.528 10.785 0.791 1.00 0.00 H new ATOM 994 N GLY A 73 -2.277 12.027 -1.921 1.00 0.00 N ATOM 995 CA GLY A 73 -0.915 12.500 -2.104 1.00 0.00 C ATOM 996 C GLY A 73 -0.768 13.947 -1.627 1.00 0.00 C ATOM 997 O GLY A 73 -1.561 14.810 -2.001 1.00 0.00 O ATOM 0 H GLY A 73 -3.000 12.683 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.227 11.860 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.640 12.431 -3.157 1.00 0.00 H new ATOM 1001 N ASN A 74 0.251 14.167 -0.810 1.00 0.00 N ATOM 1002 CA ASN A 74 0.511 15.493 -0.278 1.00 0.00 C ATOM 1003 C ASN A 74 2.021 15.700 -0.152 1.00 0.00 C ATOM 1004 O ASN A 74 2.726 14.845 0.384 1.00 0.00 O ATOM 1005 CB ASN A 74 -0.107 15.661 1.111 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.532 16.209 1.014 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -2.054 16.470 -0.057 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -2.131 16.368 2.192 1.00 0.00 N ATOM 0 H ASN A 74 0.907 13.448 -0.503 1.00 0.00 H new ATOM 0 HA ASN A 74 0.070 16.221 -0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.117 14.701 1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.507 16.337 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.084 16.728 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.637 16.130 3.052 1.00 0.00 H new ATOM 1014 N TYR A 75 2.475 16.839 -0.654 1.00 0.00 N ATOM 1015 CA TYR A 75 3.888 17.168 -0.604 1.00 0.00 C ATOM 1016 C TYR A 75 4.311 17.560 0.814 1.00 0.00 C ATOM 1017 O TYR A 75 5.487 17.818 1.067 1.00 0.00 O ATOM 1018 CB TYR A 75 4.074 18.374 -1.529 1.00 0.00 C ATOM 1019 CG TYR A 75 3.067 19.500 -1.292 1.00 0.00 C ATOM 1020 CD1 TYR A 75 3.285 20.422 -0.289 1.00 0.00 C ATOM 1021 CD2 TYR A 75 1.939 19.595 -2.083 1.00 0.00 C ATOM 1022 CE1 TYR A 75 2.337 21.482 -0.066 1.00 0.00 C ATOM 1023 CE2 TYR A 75 0.990 20.655 -1.859 1.00 0.00 C ATOM 1024 CZ TYR A 75 1.237 21.546 -0.862 1.00 0.00 C ATOM 1025 OH TYR A 75 0.341 22.548 -0.651 1.00 0.00 O ATOM 0 H TYR A 75 1.888 17.546 -1.098 1.00 0.00 H new ATOM 0 HA TYR A 75 4.491 16.312 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.082 18.768 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.994 18.041 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.167 20.348 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.768 18.875 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.496 22.210 0.716 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.103 20.740 -2.469 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.394 22.470 -1.294 1.00 0.00 H new ATOM 1034 N GLN A 76 3.329 17.590 1.701 1.00 0.00 N ATOM 1035 CA GLN A 76 3.583 17.946 3.088 1.00 0.00 C ATOM 1036 C GLN A 76 3.465 16.710 3.982 1.00 0.00 C ATOM 1037 O GLN A 76 3.742 16.776 5.179 1.00 0.00 O ATOM 1038 CB GLN A 76 2.635 19.053 3.553 1.00 0.00 C ATOM 1039 CG GLN A 76 3.370 20.073 4.425 1.00 0.00 C ATOM 1040 CD GLN A 76 4.034 21.151 3.566 1.00 0.00 C ATOM 1041 OE1 GLN A 76 3.471 21.650 2.606 1.00 0.00 O ATOM 1042 NE2 GLN A 76 5.259 21.482 3.965 1.00 0.00 N ATOM 0 H GLN A 76 2.355 17.374 1.488 1.00 0.00 H new ATOM 0 HA GLN A 76 4.600 18.330 3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.203 19.554 2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.809 18.617 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.668 20.537 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.125 19.566 5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.672 21.025 4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.786 22.193 3.458 1.00 0.00 H new ATOM 1049 N LEU A 77 3.051 15.611 3.368 1.00 0.00 N ATOM 1050 CA LEU A 77 2.892 14.363 4.094 1.00 0.00 C ATOM 1051 C LEU A 77 4.172 14.067 4.878 1.00 0.00 C ATOM 1052 O LEU A 77 4.162 14.051 6.108 1.00 0.00 O ATOM 1053 CB LEU A 77 2.480 13.238 3.141 1.00 0.00 C ATOM 1054 CG LEU A 77 1.654 12.107 3.757 1.00 0.00 C ATOM 1055 CD1 LEU A 77 2.147 11.771 5.165 1.00 0.00 C ATOM 1056 CD2 LEU A 77 0.161 12.447 3.739 1.00 0.00 C ATOM 0 H LEU A 77 2.821 15.559 2.376 1.00 0.00 H new ATOM 0 HA LEU A 77 2.084 14.445 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.909 13.674 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.382 12.808 2.707 1.00 0.00 H new ATOM 0 HG LEU A 77 1.790 11.214 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.542 10.964 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.190 11.457 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.061 12.652 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.404 11.627 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.012 13.358 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.165 12.598 2.710 1.00 0.00 H new ATOM 1067 N GLY A 78 5.245 13.840 4.133 1.00 0.00 N ATOM 1068 CA GLY A 78 6.530 13.545 4.743 1.00 0.00 C ATOM 1069 C GLY A 78 7.507 12.974 3.714 1.00 0.00 C ATOM 1070 O GLY A 78 8.330 12.120 4.041 1.00 0.00 O ATOM 0 H GLY A 78 5.250 13.855 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.946 14.453 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.395 12.832 5.557 1.00 0.00 H new ATOM 1074 N ARG A 79 7.384 13.468 2.491 1.00 0.00 N ATOM 1075 CA ARG A 79 8.246 13.017 1.412 1.00 0.00 C ATOM 1076 C ARG A 79 8.308 11.488 1.385 1.00 0.00 C ATOM 1077 O ARG A 79 9.392 10.907 1.397 1.00 0.00 O ATOM 1078 CB ARG A 79 9.662 13.575 1.568 1.00 0.00 C ATOM 1079 CG ARG A 79 9.822 14.889 0.799 1.00 0.00 C ATOM 1080 CD ARG A 79 9.568 14.684 -0.696 1.00 0.00 C ATOM 1081 NE ARG A 79 10.669 15.284 -1.482 1.00 0.00 N ATOM 1082 CZ ARG A 79 11.834 14.658 -1.752 1.00 0.00 C ATOM 1083 NH1 ARG A 79 12.060 13.406 -1.300 1.00 0.00 N ATOM 1084 NH2 ARG A 79 12.749 15.289 -2.465 1.00 0.00 N ATOM 0 H ARG A 79 6.700 14.176 2.223 1.00 0.00 H new ATOM 0 HA ARG A 79 7.824 13.384 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.878 13.739 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.386 12.846 1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.127 15.631 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.827 15.283 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.490 13.620 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.619 15.139 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 79 10.539 16.229 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.348 12.926 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.943 12.940 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.570 16.235 -2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.635 14.831 -2.678 1.00 0.00 H new ATOM 1094 N ASN A 80 7.132 10.880 1.349 1.00 0.00 N ATOM 1095 CA ASN A 80 7.038 9.431 1.321 1.00 0.00 C ATOM 1096 C ASN A 80 6.257 8.999 0.079 1.00 0.00 C ATOM 1097 O ASN A 80 5.095 9.369 -0.089 1.00 0.00 O ATOM 1098 CB ASN A 80 6.300 8.902 2.552 1.00 0.00 C ATOM 1099 CG ASN A 80 4.872 9.448 2.610 1.00 0.00 C ATOM 1100 OD1 ASN A 80 4.634 10.607 2.906 1.00 0.00 O ATOM 1101 ND2 ASN A 80 3.936 8.549 2.312 1.00 0.00 N ATOM 0 H ASN A 80 6.235 11.365 1.339 1.00 0.00 H new ATOM 0 HA ASN A 80 8.051 9.028 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.276 7.813 2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.840 9.188 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.951 8.815 2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.204 7.594 2.073 1.00 0.00 H new ATOM 1107 N VAL A 81 6.925 8.222 -0.761 1.00 0.00 N ATOM 1108 CA VAL A 81 6.308 7.736 -1.983 1.00 0.00 C ATOM 1109 C VAL A 81 6.306 6.206 -1.975 1.00 0.00 C ATOM 1110 O VAL A 81 7.357 5.578 -2.095 1.00 0.00 O ATOM 1111 CB VAL A 81 7.023 8.324 -3.201 1.00 0.00 C ATOM 1112 CG1 VAL A 81 6.578 7.627 -4.488 1.00 0.00 C ATOM 1113 CG2 VAL A 81 6.798 9.836 -3.291 1.00 0.00 C ATOM 0 H VAL A 81 7.888 7.917 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 81 5.270 8.064 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 81 8.092 8.150 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.101 8.064 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.812 6.564 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.503 7.755 -4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.317 10.230 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.731 10.040 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.186 10.316 -2.392 1.00 0.00 H new ATOM 1123 N LEU A 82 5.112 5.649 -1.830 1.00 0.00 N ATOM 1124 CA LEU A 82 4.959 4.204 -1.804 1.00 0.00 C ATOM 1125 C LEU A 82 3.975 3.779 -2.897 1.00 0.00 C ATOM 1126 O LEU A 82 2.819 4.198 -2.893 1.00 0.00 O ATOM 1127 CB LEU A 82 4.562 3.733 -0.403 1.00 0.00 C ATOM 1128 CG LEU A 82 5.405 4.278 0.751 1.00 0.00 C ATOM 1129 CD1 LEU A 82 6.890 3.979 0.536 1.00 0.00 C ATOM 1130 CD2 LEU A 82 5.144 5.771 0.962 1.00 0.00 C ATOM 0 H LEU A 82 4.242 6.172 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 82 5.909 3.717 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.522 4.009 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.611 2.644 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 82 5.104 3.766 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.466 4.378 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.039 2.901 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.225 4.445 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.755 6.134 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.400 6.317 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.091 5.927 1.195 1.00 0.00 H new ATOM 1141 N LEU A 83 4.471 2.954 -3.807 1.00 0.00 N ATOM 1142 CA LEU A 83 3.651 2.468 -4.904 1.00 0.00 C ATOM 1143 C LEU A 83 3.471 0.954 -4.769 1.00 0.00 C ATOM 1144 O LEU A 83 4.441 0.202 -4.848 1.00 0.00 O ATOM 1145 CB LEU A 83 4.242 2.901 -6.247 1.00 0.00 C ATOM 1146 CG LEU A 83 3.252 3.478 -7.261 1.00 0.00 C ATOM 1147 CD1 LEU A 83 2.161 4.291 -6.560 1.00 0.00 C ATOM 1148 CD2 LEU A 83 3.977 4.295 -8.331 1.00 0.00 C ATOM 0 H LEU A 83 5.431 2.609 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 83 2.656 2.912 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.014 3.647 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.734 2.040 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 83 2.760 2.648 -7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.470 4.690 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.617 3.649 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.617 5.114 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.250 4.694 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.513 5.118 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.685 3.656 -8.859 1.00 0.00 H new ATOM 1159 N LYS A 84 2.225 0.555 -4.569 1.00 0.00 N ATOM 1160 CA LYS A 84 1.906 -0.855 -4.423 1.00 0.00 C ATOM 1161 C LYS A 84 0.834 -1.240 -5.445 1.00 0.00 C ATOM 1162 O LYS A 84 -0.265 -0.687 -5.435 1.00 0.00 O ATOM 1163 CB LYS A 84 1.518 -1.171 -2.977 1.00 0.00 C ATOM 1164 CG LYS A 84 2.613 -1.978 -2.279 1.00 0.00 C ATOM 1165 CD LYS A 84 2.012 -3.093 -1.422 1.00 0.00 C ATOM 1166 CE LYS A 84 1.612 -4.292 -2.283 1.00 0.00 C ATOM 1167 NZ LYS A 84 0.655 -5.157 -1.557 1.00 0.00 N ATOM 0 H LYS A 84 1.424 1.183 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 84 2.783 -1.467 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.343 -0.243 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.583 -1.731 -2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.283 -2.408 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.213 -1.317 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.735 -3.407 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.139 -2.716 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.163 -3.945 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.499 -4.866 -2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.394 -5.966 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.096 -5.503 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.198 -4.611 -1.323 1.00 0.00 H new ATOM 1176 N ASN A 85 1.192 -2.184 -6.303 1.00 0.00 N ATOM 1177 CA ASN A 85 0.274 -2.649 -7.330 1.00 0.00 C ATOM 1178 C ASN A 85 -0.075 -4.116 -7.070 1.00 0.00 C ATOM 1179 O ASN A 85 0.806 -4.974 -7.054 1.00 0.00 O ATOM 1180 CB ASN A 85 0.906 -2.552 -8.719 1.00 0.00 C ATOM 1181 CG ASN A 85 1.663 -1.233 -8.886 1.00 0.00 C ATOM 1182 OD1 ASN A 85 1.720 -0.403 -7.994 1.00 0.00 O ATOM 1183 ND2 ASN A 85 2.241 -1.088 -10.074 1.00 0.00 N ATOM 0 H ASN A 85 2.105 -2.640 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.617 -2.021 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.588 -3.389 -8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.131 -2.630 -9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.772 -0.242 -10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.154 -1.822 -10.777 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.362 -4.359 -6.873 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.838 -5.708 -6.614 1.00 0.00 C ATOM 1191 C GLY A 86 -2.746 -6.195 -7.745 1.00 0.00 C ATOM 1192 O GLY A 86 -3.794 -5.605 -8.002 1.00 0.00 O ATOM 0 H GLY A 86 -2.090 -3.645 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.989 -6.383 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.383 -5.730 -5.670 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.310 -7.267 -8.390 1.00 0.00 N ATOM 1197 CA GLU A 87 -3.070 -7.839 -9.489 1.00 0.00 C ATOM 1198 C GLU A 87 -3.350 -9.320 -9.224 1.00 0.00 C ATOM 1199 O GLU A 87 -2.422 -10.115 -9.083 1.00 0.00 O ATOM 1200 CB GLU A 87 -2.342 -7.648 -10.820 1.00 0.00 C ATOM 1201 CG GLU A 87 -2.897 -8.590 -11.890 1.00 0.00 C ATOM 1202 CD GLU A 87 -4.427 -8.635 -11.841 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -5.019 -9.717 -11.959 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -4.999 -7.491 -11.673 1.00 0.00 O ATOM 0 H GLU A 87 -1.441 -7.754 -8.173 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.023 -7.314 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.447 -6.615 -11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.276 -7.833 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.571 -8.259 -12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.495 -9.592 -11.741 1.00 0.00 H new ATOM 1210 N ASP A 88 -4.632 -9.646 -9.167 1.00 0.00 N ATOM 1211 CA ASP A 88 -5.046 -11.018 -8.922 1.00 0.00 C ATOM 1212 C ASP A 88 -6.077 -11.431 -9.974 1.00 0.00 C ATOM 1213 O ASP A 88 -7.174 -10.877 -10.025 1.00 0.00 O ATOM 1214 CB ASP A 88 -5.694 -11.161 -7.544 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.542 -12.421 -7.355 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -7.541 -12.414 -6.620 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -6.134 -13.455 -8.010 1.00 0.00 O ATOM 0 H ASP A 88 -5.399 -8.984 -9.286 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.160 -11.651 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.909 -11.153 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.321 -10.288 -7.362 1.00 0.00 H new ATOM 1222 N ARG A 89 -5.688 -12.401 -10.790 1.00 0.00 N ATOM 1223 CA ARG A 89 -6.565 -12.893 -11.838 1.00 0.00 C ATOM 1224 C ARG A 89 -6.299 -14.378 -12.098 1.00 0.00 C ATOM 1225 O ARG A 89 -5.197 -14.867 -11.855 1.00 0.00 O ATOM 1226 CB ARG A 89 -6.365 -12.111 -13.137 1.00 0.00 C ATOM 1227 CG ARG A 89 -4.964 -12.346 -13.707 1.00 0.00 C ATOM 1228 CD ARG A 89 -5.018 -13.246 -14.944 1.00 0.00 C ATOM 1229 NE ARG A 89 -3.833 -13.006 -15.798 1.00 0.00 N ATOM 1230 CZ ARG A 89 -3.553 -13.707 -16.916 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -4.370 -14.699 -17.327 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -2.466 -13.407 -17.603 1.00 0.00 N ATOM 0 H ARG A 89 -4.777 -12.859 -10.746 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.593 -12.757 -11.501 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.115 -12.414 -13.868 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.513 -11.047 -12.952 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.509 -11.391 -13.968 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.331 -12.804 -12.947 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.052 -14.292 -14.641 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.929 -13.048 -15.508 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.188 -12.265 -15.524 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.208 -14.925 -16.791 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.150 -15.223 -18.174 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.853 -12.656 -17.286 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.239 -13.927 -18.451 1.00 0.00 H new ATOM 1242 N LEU A 90 -7.328 -15.053 -12.588 1.00 0.00 N ATOM 1243 CA LEU A 90 -7.219 -16.472 -12.883 1.00 0.00 C ATOM 1244 C LEU A 90 -7.767 -16.741 -14.287 1.00 0.00 C ATOM 1245 O LEU A 90 -8.309 -15.840 -14.927 1.00 0.00 O ATOM 1246 CB LEU A 90 -7.896 -17.301 -11.790 1.00 0.00 C ATOM 1247 CG LEU A 90 -8.864 -16.544 -10.878 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -10.144 -17.352 -10.646 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -8.187 -16.153 -9.563 1.00 0.00 C ATOM 0 H LEU A 90 -8.241 -14.644 -12.788 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.174 -16.781 -12.883 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.439 -18.118 -12.265 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.121 -17.751 -11.170 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.152 -15.620 -11.378 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.815 -16.792 -9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.636 -17.537 -11.601 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.894 -18.303 -10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.897 -15.616 -8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.851 -17.052 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.330 -15.512 -9.771 1.00 0.00 H new ATOM 1260 N ARG A 91 -7.609 -17.981 -14.722 1.00 0.00 N ATOM 1261 CA ARG A 91 -8.081 -18.379 -16.037 1.00 0.00 C ATOM 1262 C ARG A 91 -9.606 -18.280 -16.106 1.00 0.00 C ATOM 1263 O ARG A 91 -10.167 -18.004 -17.165 1.00 0.00 O ATOM 1264 CB ARG A 91 -7.654 -19.811 -16.366 1.00 0.00 C ATOM 1265 CG ARG A 91 -6.133 -19.914 -16.492 1.00 0.00 C ATOM 1266 CD ARG A 91 -5.702 -19.913 -17.960 1.00 0.00 C ATOM 1267 NE ARG A 91 -6.156 -21.157 -18.622 1.00 0.00 N ATOM 1268 CZ ARG A 91 -5.430 -22.293 -18.674 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -4.208 -22.353 -18.104 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -5.933 -23.346 -19.293 1.00 0.00 N ATOM 0 H ARG A 91 -7.160 -18.725 -14.187 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.636 -17.703 -16.767 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.005 -20.487 -15.586 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.122 -20.129 -17.298 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.664 -19.079 -15.971 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.786 -20.827 -16.008 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.122 -19.046 -18.470 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.617 -19.830 -18.029 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.074 -21.155 -19.066 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.826 -21.535 -17.629 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.666 -23.216 -18.148 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.857 -23.292 -19.722 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.398 -24.213 -19.342 1.00 0.00 H new ATOM 1280 N PHE A 92 -10.234 -18.511 -14.962 1.00 0.00 N ATOM 1281 CA PHE A 92 -11.684 -18.451 -14.878 1.00 0.00 C ATOM 1282 C PHE A 92 -12.191 -17.032 -15.145 1.00 0.00 C ATOM 1283 O PHE A 92 -13.348 -16.842 -15.515 1.00 0.00 O ATOM 1284 CB PHE A 92 -12.067 -18.858 -13.455 1.00 0.00 C ATOM 1285 CG PHE A 92 -13.527 -19.291 -13.302 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -14.519 -18.363 -13.349 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -13.831 -20.604 -13.120 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.874 -18.765 -13.208 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -15.185 -21.006 -12.980 1.00 0.00 C ATOM 1290 CZ PHE A 92 -16.178 -20.078 -13.026 1.00 0.00 C ATOM 0 H PHE A 92 -9.765 -18.740 -14.086 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.127 -19.112 -15.623 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.421 -19.676 -13.136 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.875 -18.020 -12.785 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -14.277 -17.320 -13.493 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.042 -21.341 -13.082 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.663 -18.028 -13.245 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -15.427 -22.049 -12.837 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.208 -20.384 -12.918 1.00 0.00 H new ATOM 1299 N TYR A 93 -11.298 -16.073 -14.947 1.00 0.00 N ATOM 1300 CA TYR A 93 -11.641 -14.677 -15.161 1.00 0.00 C ATOM 1301 C TYR A 93 -11.422 -14.277 -16.621 1.00 0.00 C ATOM 1302 O TYR A 93 -10.440 -14.684 -17.240 1.00 0.00 O ATOM 1303 CB TYR A 93 -10.690 -13.870 -14.275 1.00 0.00 C ATOM 1304 CG TYR A 93 -11.394 -12.872 -13.354 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -12.079 -13.323 -12.244 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -11.346 -11.521 -13.632 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -12.742 -12.384 -11.377 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -12.009 -10.583 -12.765 1.00 0.00 C ATOM 1309 CZ TYR A 93 -12.674 -11.060 -11.680 1.00 0.00 C ATOM 1310 OH TYR A 93 -13.301 -10.174 -10.860 1.00 0.00 O ATOM 0 H TYR A 93 -10.339 -16.235 -14.641 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.689 -14.497 -14.922 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.104 -14.559 -13.667 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.988 -13.330 -14.911 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.118 -14.380 -12.026 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.811 -11.167 -14.501 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.281 -12.724 -10.505 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.979 -9.523 -12.972 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.167 -9.264 -11.198 1.00 0.00 H new ATOM 1319 N VAL A 94 -12.354 -13.484 -17.130 1.00 0.00 N ATOM 1320 CA VAL A 94 -12.276 -13.024 -18.506 1.00 0.00 C ATOM 1321 C VAL A 94 -11.724 -11.597 -18.533 1.00 0.00 C ATOM 1322 O VAL A 94 -11.535 -11.020 -19.601 1.00 0.00 O ATOM 1323 CB VAL A 94 -13.645 -13.149 -19.178 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -13.583 -12.690 -20.637 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -14.179 -14.578 -19.074 1.00 0.00 C ATOM 0 H VAL A 94 -13.167 -13.148 -16.614 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.590 -13.648 -19.079 1.00 0.00 H new ATOM 0 HB VAL A 94 -14.339 -12.494 -18.650 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.569 -12.789 -21.092 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.268 -11.647 -20.677 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.868 -13.306 -21.182 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.153 -14.639 -19.560 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.486 -15.262 -19.564 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -14.279 -14.853 -18.024 1.00 0.00 H new ATOM 1335 N LYS A 95 -11.481 -11.070 -17.342 1.00 0.00 N ATOM 1336 CA LYS A 95 -10.955 -9.721 -17.214 1.00 0.00 C ATOM 1337 C LYS A 95 -9.427 -9.768 -17.270 1.00 0.00 C ATOM 1338 O LYS A 95 -8.806 -9.013 -18.016 1.00 0.00 O ATOM 1339 CB LYS A 95 -11.505 -9.048 -15.955 1.00 0.00 C ATOM 1340 CG LYS A 95 -12.429 -7.884 -16.315 1.00 0.00 C ATOM 1341 CD LYS A 95 -13.641 -7.838 -15.382 1.00 0.00 C ATOM 1342 CE LYS A 95 -14.840 -7.184 -16.072 1.00 0.00 C ATOM 1343 NZ LYS A 95 -16.007 -7.150 -15.163 1.00 0.00 N ATOM 0 H LYS A 95 -11.638 -11.552 -16.457 1.00 0.00 H new ATOM 0 HA LYS A 95 -11.286 -9.102 -18.048 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -12.050 -9.778 -15.357 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.680 -8.686 -15.342 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.879 -6.945 -16.250 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.764 -7.986 -17.347 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.903 -8.849 -15.071 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.389 -7.282 -14.479 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.582 -6.171 -16.380 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.092 -7.737 -16.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.811 -6.703 -15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.263 -8.120 -14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.768 -6.603 -14.312 1.00 0.00 H new ATOM 1352 N PHE A 96 -8.864 -10.661 -16.468 1.00 0.00 N ATOM 1353 CA PHE A 96 -7.420 -10.816 -16.417 1.00 0.00 C ATOM 1354 C PHE A 96 -6.721 -9.455 -16.466 1.00 0.00 C ATOM 1355 O PHE A 96 -5.694 -9.305 -17.126 1.00 0.00 O ATOM 1356 CB PHE A 96 -7.013 -11.630 -17.646 1.00 0.00 C ATOM 1357 CG PHE A 96 -7.345 -10.955 -18.978 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -8.582 -11.103 -19.527 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -6.406 -10.205 -19.614 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -8.890 -10.476 -20.762 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -6.714 -9.578 -20.851 1.00 0.00 C ATOM 1362 CZ PHE A 96 -7.950 -9.727 -21.398 1.00 0.00 C ATOM 0 H PHE A 96 -9.382 -11.284 -15.849 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.131 -11.310 -15.489 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.940 -11.820 -17.604 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.510 -12.599 -17.608 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.329 -11.698 -19.022 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.425 -10.086 -19.178 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -9.871 -10.594 -21.197 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.967 -8.984 -21.356 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.185 -9.250 -22.338 1.00 0.00 H new ATOM 1371 N GLY A 97 -7.306 -8.499 -15.762 1.00 0.00 N ATOM 1372 CA GLY A 97 -6.753 -7.157 -15.717 1.00 0.00 C ATOM 1373 C GLY A 97 -5.332 -7.168 -15.148 1.00 0.00 C ATOM 1374 O GLY A 97 -5.004 -8.000 -14.303 1.00 0.00 O ATOM 0 H GLY A 97 -8.159 -8.627 -15.217 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.744 -6.730 -16.720 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -7.389 -6.518 -15.104 1.00 0.00 H new ATOM 1378 N PRO A 98 -4.505 -6.210 -15.646 1.00 0.00 N ATOM 1379 CA PRO A 98 -3.127 -6.102 -15.198 1.00 0.00 C ATOM 1380 C PRO A 98 -3.054 -5.486 -13.799 1.00 0.00 C ATOM 1381 O PRO A 98 -1.966 -5.216 -13.293 1.00 0.00 O ATOM 1382 CB PRO A 98 -2.434 -5.260 -16.255 1.00 0.00 C ATOM 1383 CG PRO A 98 -3.541 -4.541 -17.008 1.00 0.00 C ATOM 1384 CD PRO A 98 -4.859 -5.208 -16.648 1.00 0.00 C ATOM 0 HA PRO A 98 -2.639 -7.072 -15.099 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.747 -4.548 -15.798 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.846 -5.884 -16.928 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.562 -3.485 -16.739 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.368 -4.593 -18.083 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -5.573 -4.486 -16.251 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -5.322 -5.667 -17.521 1.00 0.00 H new ATOM 1389 N GLY A 99 -4.225 -5.284 -13.214 1.00 0.00 N ATOM 1390 CA GLY A 99 -4.307 -4.705 -11.883 1.00 0.00 C ATOM 1391 C GLY A 99 -3.163 -3.717 -11.644 1.00 0.00 C ATOM 1392 O GLY A 99 -2.338 -3.920 -10.755 1.00 0.00 O ATOM 0 H GLY A 99 -5.125 -5.511 -13.637 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.263 -4.196 -11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.271 -5.497 -11.135 1.00 0.00 H new ATOM 1396 N ALA A 100 -3.152 -2.667 -12.454 1.00 0.00 N ATOM 1397 CA ALA A 100 -2.124 -1.647 -12.342 1.00 0.00 C ATOM 1398 C ALA A 100 -2.617 -0.533 -11.416 1.00 0.00 C ATOM 1399 O ALA A 100 -3.812 -0.428 -11.147 1.00 0.00 O ATOM 1400 CB ALA A 100 -1.763 -1.131 -13.735 1.00 0.00 C ATOM 0 H ALA A 100 -3.839 -2.502 -13.190 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.216 -2.062 -11.904 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.992 -0.366 -13.651 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.391 -1.955 -14.343 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -2.648 -0.704 -14.205 1.00 0.00 H new ATOM 1406 N VAL A 101 -1.670 0.271 -10.954 1.00 0.00 N ATOM 1407 CA VAL A 101 -1.992 1.374 -10.065 1.00 0.00 C ATOM 1408 C VAL A 101 -3.220 2.114 -10.601 1.00 0.00 C ATOM 1409 O VAL A 101 -4.056 2.578 -9.828 1.00 0.00 O ATOM 1410 CB VAL A 101 -0.774 2.282 -9.894 1.00 0.00 C ATOM 1411 CG1 VAL A 101 0.313 1.593 -9.067 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -0.228 2.729 -11.251 1.00 0.00 C ATOM 0 H VAL A 101 -0.679 0.180 -11.179 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.244 1.002 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.094 3.172 -9.352 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.168 2.261 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.081 1.348 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.628 0.678 -9.569 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.638 3.374 -11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.067 1.854 -11.830 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.000 3.278 -11.791 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.289 2.200 -11.921 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.400 2.875 -12.570 1.00 0.00 C ATOM 1424 C ILE A 102 -5.713 2.415 -11.933 1.00 0.00 C ATOM 1425 O ILE A 102 -6.529 3.238 -11.520 1.00 0.00 O ATOM 1426 CB ILE A 102 -4.344 2.665 -14.084 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -3.415 3.686 -14.746 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -5.747 2.688 -14.694 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -2.783 3.111 -16.015 1.00 0.00 C ATOM 0 H ILE A 102 -2.593 1.813 -12.559 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.332 3.952 -12.419 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.926 1.677 -14.275 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.976 4.588 -14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.632 3.978 -14.046 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.678 2.536 -15.771 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.348 1.893 -14.253 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.216 3.651 -14.493 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.128 3.857 -16.465 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.203 2.223 -15.763 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.567 2.843 -16.723 1.00 0.00 H new ATOM 1440 N LYS A 103 -5.876 1.101 -11.874 1.00 0.00 N ATOM 1441 CA LYS A 103 -7.077 0.522 -11.295 1.00 0.00 C ATOM 1442 C LYS A 103 -7.404 1.242 -9.986 1.00 0.00 C ATOM 1443 O LYS A 103 -8.574 1.440 -9.658 1.00 0.00 O ATOM 1444 CB LYS A 103 -6.920 -0.992 -11.142 1.00 0.00 C ATOM 1445 CG LYS A 103 -7.642 -1.735 -12.268 1.00 0.00 C ATOM 1446 CD LYS A 103 -6.643 -2.305 -13.277 1.00 0.00 C ATOM 1447 CE LYS A 103 -7.193 -3.570 -13.939 1.00 0.00 C ATOM 1448 NZ LYS A 103 -7.731 -4.496 -12.918 1.00 0.00 N ATOM 0 H LYS A 103 -5.197 0.421 -12.217 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.929 0.666 -11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.862 -1.254 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.320 -1.307 -10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.242 -2.543 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.329 -1.057 -12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.424 -1.557 -14.039 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.703 -2.533 -12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.977 -3.305 -14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.404 -4.063 -14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.478 -5.473 -13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.328 -4.260 -11.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.766 -4.406 -12.879 1.00 0.00 H new ATOM 1457 N GLU A 104 -6.352 1.614 -9.273 1.00 0.00 N ATOM 1458 CA GLU A 104 -6.513 2.309 -8.006 1.00 0.00 C ATOM 1459 C GLU A 104 -7.564 3.413 -8.137 1.00 0.00 C ATOM 1460 O GLU A 104 -8.323 3.665 -7.202 1.00 0.00 O ATOM 1461 CB GLU A 104 -5.179 2.876 -7.518 1.00 0.00 C ATOM 1462 CG GLU A 104 -4.915 4.255 -8.125 1.00 0.00 C ATOM 1463 CD GLU A 104 -3.414 4.536 -8.216 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -2.652 4.132 -7.325 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -3.046 5.198 -9.260 1.00 0.00 O ATOM 0 H GLU A 104 -5.384 1.448 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.858 1.592 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.187 2.949 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.371 2.196 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.360 4.310 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.396 5.022 -7.518 1.00 0.00 H new ATOM 1471 N PHE A 105 -7.574 4.042 -9.303 1.00 0.00 N ATOM 1472 CA PHE A 105 -8.519 5.113 -9.568 1.00 0.00 C ATOM 1473 C PHE A 105 -9.926 4.731 -9.102 1.00 0.00 C ATOM 1474 O PHE A 105 -10.681 5.582 -8.634 1.00 0.00 O ATOM 1475 CB PHE A 105 -8.538 5.331 -11.082 1.00 0.00 C ATOM 1476 CG PHE A 105 -9.619 4.530 -11.811 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -10.932 4.815 -11.603 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -9.266 3.535 -12.669 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -11.935 4.073 -12.281 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -10.269 2.793 -13.346 1.00 0.00 C ATOM 1481 CZ PHE A 105 -11.582 3.077 -13.139 1.00 0.00 C ATOM 0 H PHE A 105 -6.942 3.830 -10.075 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.219 6.013 -9.032 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.687 6.392 -11.284 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.564 5.062 -11.490 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -11.212 5.605 -10.922 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -8.223 3.310 -12.835 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -12.978 4.299 -12.116 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -9.989 2.002 -14.026 1.00 0.00 H new ATOM 0 HZ PHE A 105 -12.345 2.513 -13.655 1.00 0.00 H new ATOM 1490 N LYS A 106 -10.235 3.451 -9.246 1.00 0.00 N ATOM 1491 CA LYS A 106 -11.538 2.946 -8.846 1.00 0.00 C ATOM 1492 C LYS A 106 -11.805 3.333 -7.391 1.00 0.00 C ATOM 1493 O LYS A 106 -12.952 3.334 -6.946 1.00 0.00 O ATOM 1494 CB LYS A 106 -11.633 1.442 -9.110 1.00 0.00 C ATOM 1495 CG LYS A 106 -11.498 1.137 -10.603 1.00 0.00 C ATOM 1496 CD LYS A 106 -10.756 -0.182 -10.829 1.00 0.00 C ATOM 1497 CE LYS A 106 -11.651 -1.200 -11.538 1.00 0.00 C ATOM 1498 NZ LYS A 106 -11.410 -1.175 -12.997 1.00 0.00 N ATOM 0 H LYS A 106 -9.606 2.748 -9.634 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.325 3.402 -9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.851 0.922 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.587 1.064 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.487 1.084 -11.058 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.963 1.948 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.861 -0.002 -11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.426 -0.587 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.455 -2.199 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.698 -0.978 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.038 -1.860 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.603 -0.221 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.419 -1.426 -13.190 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.727 3.653 -6.689 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.831 4.041 -5.293 1.00 0.00 C ATOM 1509 C ILE A 107 -12.100 4.873 -5.092 1.00 0.00 C ATOM 1510 O ILE A 107 -12.807 4.703 -4.101 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.554 4.748 -4.837 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.153 5.848 -5.824 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -8.422 3.744 -4.609 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -9.144 7.218 -5.142 1.00 0.00 C ATOM 0 H ILE A 107 -9.777 3.651 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.924 3.159 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.755 5.230 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.165 5.634 -6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.848 5.860 -6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.526 4.273 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.719 3.030 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.214 3.213 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -8.856 7.982 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.139 7.439 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.430 7.210 -4.318 1.00 0.00 H new ATOM 1525 N THR A 108 -12.349 5.755 -6.049 1.00 0.00 N ATOM 1526 CA THR A 108 -13.519 6.613 -5.990 1.00 0.00 C ATOM 1527 C THR A 108 -14.178 6.711 -7.368 1.00 0.00 C ATOM 1528 O THR A 108 -15.347 6.360 -7.527 1.00 0.00 O ATOM 1529 CB THR A 108 -13.085 7.967 -5.428 1.00 0.00 C ATOM 1530 OG1 THR A 108 -11.976 8.342 -6.241 1.00 0.00 O ATOM 1531 CG2 THR A 108 -12.492 7.854 -4.021 1.00 0.00 C ATOM 0 H THR A 108 -11.760 5.894 -6.870 1.00 0.00 H new ATOM 0 HA THR A 108 -14.280 6.199 -5.328 1.00 0.00 H new ATOM 0 HB THR A 108 -13.940 8.643 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.633 9.211 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.200 8.843 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.236 7.433 -3.345 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.617 7.205 -4.046 1.00 0.00 H new ATOM 1539 N ASP A 109 -13.402 7.190 -8.328 1.00 0.00 N ATOM 1540 CA ASP A 109 -13.895 7.338 -9.686 1.00 0.00 C ATOM 1541 C ASP A 109 -14.415 5.988 -10.186 1.00 0.00 C ATOM 1542 O ASP A 109 -15.058 5.915 -11.231 1.00 0.00 O ATOM 1543 CB ASP A 109 -12.782 7.795 -10.631 1.00 0.00 C ATOM 1544 CG ASP A 109 -12.652 9.311 -10.790 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -12.018 9.801 -11.736 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -13.243 10.008 -9.880 1.00 0.00 O ATOM 0 H ASP A 109 -12.434 7.481 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.688 8.085 -9.676 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.833 7.400 -10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.956 7.355 -11.613 1.00 0.00 H new TER 1551 ASP A 109