USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 792 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 6 SER OG : rot -32:sc= 0.323 USER MOD Set 1.2: A 8 TYR OH : rot 146:sc= 0.234 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0373 (180deg=-0.271) USER MOD Single : A 3 ASN : amide:sc= -3.08! C(o=-3.1!,f=-9!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -172:sc= -2.1 USER MOD Single : A 15 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00642 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 35 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.11) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -16:sc= -0.11! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -139:sc= -5.18! (180deg=-8.56!) USER MOD Single : A 55 HIS : no HD1:sc= -17.4! C(o=-17!,f=-17!) USER MOD Single : A 56 THR OG1 : rot 49:sc= 0.0501 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0.009 (180deg=0.00798) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.109! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.3!) USER MOD Single : A 80 LYS NZ :NH3+ -103:sc= 0.284! (180deg=-1.9!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 91 HIS : no HD1:sc= -2.47! K(o=-2.5!,f=-1.2) USER MOD Single : A 92 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.37) USER MOD Single : A 93 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.11) USER MOD Single : A 94 HIS : no HD1:sc= -0.0955 X(o=-0.095,f=-0.0029) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.491 -15.319 1.347 1.00 0.00 N ATOM 2 CA MET A 1 -0.743 -15.319 0.102 1.00 0.00 C ATOM 3 C MET A 1 0.608 -14.622 0.274 1.00 0.00 C ATOM 4 O MET A 1 1.600 -15.022 -0.335 1.00 0.00 O ATOM 5 CB MET A 1 -1.553 -14.603 -0.981 1.00 0.00 C ATOM 6 CG MET A 1 -1.835 -15.535 -2.161 1.00 0.00 C ATOM 7 SD MET A 1 -3.540 -16.060 -2.131 1.00 0.00 S ATOM 8 CE MET A 1 -3.337 -17.794 -2.502 1.00 0.00 C ATOM 0 H1 MET A 1 -2.282 -15.990 1.277 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.865 -15.602 2.128 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.862 -14.365 1.529 1.00 0.00 H new ATOM 0 HA MET A 1 -0.562 -16.353 -0.191 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.494 -14.247 -0.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.007 -13.726 -1.328 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.620 -15.023 -3.099 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.178 -16.403 -2.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.313 -18.278 -2.522 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.857 -17.904 -3.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.717 -18.260 -1.736 1.00 0.00 H new ATOM 18 N GLU A 2 0.604 -13.591 1.106 1.00 0.00 N ATOM 19 CA GLU A 2 1.817 -12.834 1.365 1.00 0.00 C ATOM 20 C GLU A 2 2.937 -13.768 1.828 1.00 0.00 C ATOM 21 O GLU A 2 2.765 -14.986 1.849 1.00 0.00 O ATOM 22 CB GLU A 2 1.565 -11.730 2.394 1.00 0.00 C ATOM 23 CG GLU A 2 0.842 -10.542 1.757 1.00 0.00 C ATOM 24 CD GLU A 2 -0.641 -10.534 2.137 1.00 0.00 C ATOM 25 OE1 GLU A 2 -0.947 -9.982 3.216 1.00 0.00 O ATOM 26 OE2 GLU A 2 -1.434 -11.080 1.339 1.00 0.00 O ATOM 0 H GLU A 2 -0.220 -13.262 1.609 1.00 0.00 H new ATOM 0 HA GLU A 2 2.129 -12.356 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.969 -12.124 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.513 -11.399 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.309 -9.612 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.943 -10.589 0.673 1.00 0.00 H new ATOM 33 N ASN A 3 4.059 -13.163 2.186 1.00 0.00 N ATOM 34 CA ASN A 3 5.207 -13.925 2.647 1.00 0.00 C ATOM 35 C ASN A 3 5.651 -14.887 1.543 1.00 0.00 C ATOM 36 O ASN A 3 5.388 -16.086 1.616 1.00 0.00 O ATOM 37 CB ASN A 3 4.857 -14.755 3.884 1.00 0.00 C ATOM 38 CG ASN A 3 4.183 -13.890 4.951 1.00 0.00 C ATOM 39 OD1 ASN A 3 3.240 -13.161 4.691 1.00 0.00 O ATOM 40 ND2 ASN A 3 4.717 -14.012 6.163 1.00 0.00 N ATOM 0 H ASN A 3 4.198 -12.153 2.166 1.00 0.00 H new ATOM 0 HA ASN A 3 6.000 -13.221 2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.194 -15.573 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.762 -15.204 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.337 -13.477 6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.506 -14.641 6.312 1.00 0.00 H new ATOM 47 N LYS A 4 6.317 -14.324 0.545 1.00 0.00 N ATOM 48 CA LYS A 4 6.801 -15.117 -0.573 1.00 0.00 C ATOM 49 C LYS A 4 7.144 -14.189 -1.740 1.00 0.00 C ATOM 50 O LYS A 4 6.332 -13.995 -2.643 1.00 0.00 O ATOM 51 CB LYS A 4 5.791 -16.209 -0.932 1.00 0.00 C ATOM 52 CG LYS A 4 5.904 -16.597 -2.408 1.00 0.00 C ATOM 53 CD LYS A 4 5.477 -18.050 -2.627 1.00 0.00 C ATOM 54 CE LYS A 4 4.358 -18.141 -3.666 1.00 0.00 C ATOM 55 NZ LYS A 4 3.348 -19.142 -3.253 1.00 0.00 N ATOM 0 H LYS A 4 6.533 -13.329 0.487 1.00 0.00 H new ATOM 0 HA LYS A 4 7.718 -15.640 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.961 -17.086 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.781 -15.859 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.280 -15.936 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.931 -16.461 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.333 -18.639 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.139 -18.480 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.885 -17.166 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.775 -18.415 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.595 -19.192 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.800 -20.074 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.938 -18.864 -2.338 1.00 0.00 H new ATOM 69 N LYS A 5 8.349 -13.640 -1.683 1.00 0.00 N ATOM 70 CA LYS A 5 8.810 -12.737 -2.724 1.00 0.00 C ATOM 71 C LYS A 5 7.698 -11.740 -3.057 1.00 0.00 C ATOM 72 O LYS A 5 6.707 -11.646 -2.335 1.00 0.00 O ATOM 73 CB LYS A 5 9.311 -13.527 -3.935 1.00 0.00 C ATOM 74 CG LYS A 5 8.141 -14.084 -4.748 1.00 0.00 C ATOM 75 CD LYS A 5 8.616 -14.605 -6.106 1.00 0.00 C ATOM 76 CE LYS A 5 8.321 -16.099 -6.253 1.00 0.00 C ATOM 77 NZ LYS A 5 8.233 -16.472 -7.682 1.00 0.00 N ATOM 0 H LYS A 5 9.020 -13.803 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 5 9.665 -12.157 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.923 -12.883 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.949 -14.345 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.659 -14.889 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.392 -13.306 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.121 -14.053 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.687 -14.430 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.105 -16.680 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.385 -16.342 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.032 -17.489 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.469 -15.931 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.135 -16.258 -8.153 1.00 0.00 H new ATOM 91 N SER A 6 7.901 -11.020 -4.151 1.00 0.00 N ATOM 92 CA SER A 6 6.928 -10.034 -4.588 1.00 0.00 C ATOM 93 C SER A 6 6.768 -8.948 -3.522 1.00 0.00 C ATOM 94 O SER A 6 6.590 -9.252 -2.343 1.00 0.00 O ATOM 95 CB SER A 6 5.577 -10.687 -4.888 1.00 0.00 C ATOM 96 OG SER A 6 4.775 -10.816 -3.717 1.00 0.00 O ATOM 0 H SER A 6 8.725 -11.100 -4.747 1.00 0.00 H new ATOM 0 HA SER A 6 7.293 -9.579 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.043 -10.092 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.740 -11.672 -5.326 1.00 0.00 H new ATOM 0 HG SER A 6 5.353 -10.954 -2.938 1.00 0.00 H new ATOM 102 N HIS A 7 6.836 -7.705 -3.974 1.00 0.00 N ATOM 103 CA HIS A 7 6.701 -6.573 -3.074 1.00 0.00 C ATOM 104 C HIS A 7 5.218 -6.286 -2.829 1.00 0.00 C ATOM 105 O HIS A 7 4.560 -5.652 -3.652 1.00 0.00 O ATOM 106 CB HIS A 7 7.458 -5.357 -3.611 1.00 0.00 C ATOM 107 CG HIS A 7 8.924 -5.613 -3.871 1.00 0.00 C ATOM 108 ND1 HIS A 7 9.798 -4.619 -4.276 1.00 0.00 N ATOM 109 CD2 HIS A 7 9.659 -6.758 -3.779 1.00 0.00 C ATOM 110 CE1 HIS A 7 11.002 -5.153 -4.419 1.00 0.00 C ATOM 111 NE2 HIS A 7 10.913 -6.479 -4.111 1.00 0.00 N ATOM 0 H HIS A 7 6.983 -7.457 -4.952 1.00 0.00 H new ATOM 0 HA HIS A 7 7.154 -6.814 -2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.987 -5.028 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.363 -4.538 -2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.284 -7.727 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 7 11.896 -4.631 -4.725 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.684 -7.146 -4.132 1.00 0.00 H new ATOM 119 N TYR A 8 4.735 -6.767 -1.692 1.00 0.00 N ATOM 120 CA TYR A 8 3.342 -6.571 -1.328 1.00 0.00 C ATOM 121 C TYR A 8 3.112 -5.160 -0.782 1.00 0.00 C ATOM 122 O TYR A 8 3.725 -4.767 0.210 1.00 0.00 O ATOM 123 CB TYR A 8 3.048 -7.587 -0.224 1.00 0.00 C ATOM 124 CG TYR A 8 3.168 -9.045 -0.671 1.00 0.00 C ATOM 125 CD1 TYR A 8 2.146 -9.633 -1.389 1.00 0.00 C ATOM 126 CD2 TYR A 8 4.298 -9.773 -0.357 1.00 0.00 C ATOM 127 CE1 TYR A 8 2.260 -11.005 -1.811 1.00 0.00 C ATOM 128 CE2 TYR A 8 4.411 -11.145 -0.779 1.00 0.00 C ATOM 129 CZ TYR A 8 3.386 -11.693 -1.485 1.00 0.00 C ATOM 130 OH TYR A 8 3.493 -12.990 -1.883 1.00 0.00 O ATOM 0 H TYR A 8 5.284 -7.292 -1.011 1.00 0.00 H new ATOM 0 HA TYR A 8 2.696 -6.700 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.733 -7.415 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.040 -7.416 0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.261 -9.064 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.097 -9.313 0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.468 -11.477 -2.374 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.290 -11.726 -0.540 1.00 0.00 H new ATOM 0 HH TYR A 8 4.429 -13.193 -2.089 1.00 0.00 H new ATOM 140 N PHE A 9 2.227 -4.437 -1.452 1.00 0.00 N ATOM 141 CA PHE A 9 1.909 -3.079 -1.046 1.00 0.00 C ATOM 142 C PHE A 9 0.573 -3.028 -0.302 1.00 0.00 C ATOM 143 O PHE A 9 -0.479 -3.277 -0.890 1.00 0.00 O ATOM 144 CB PHE A 9 1.799 -2.244 -2.324 1.00 0.00 C ATOM 145 CG PHE A 9 1.631 -0.744 -2.074 1.00 0.00 C ATOM 146 CD1 PHE A 9 2.727 0.049 -1.931 1.00 0.00 C ATOM 147 CD2 PHE A 9 0.385 -0.203 -1.997 1.00 0.00 C ATOM 148 CE1 PHE A 9 2.571 1.441 -1.699 1.00 0.00 C ATOM 149 CE2 PHE A 9 0.229 1.189 -1.765 1.00 0.00 C ATOM 150 CZ PHE A 9 1.325 1.982 -1.621 1.00 0.00 C ATOM 0 H PHE A 9 1.720 -4.766 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 9 2.682 -2.700 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.692 -2.404 -2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.951 -2.602 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.716 -0.380 -1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.485 -0.832 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.441 2.070 -1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.760 1.618 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.206 3.041 -1.445 1.00 0.00 H new ATOM 160 N TYR A 10 0.658 -2.705 0.980 1.00 0.00 N ATOM 161 CA TYR A 10 -0.531 -2.618 1.810 1.00 0.00 C ATOM 162 C TYR A 10 -0.661 -1.230 2.440 1.00 0.00 C ATOM 163 O TYR A 10 0.306 -0.699 2.985 1.00 0.00 O ATOM 164 CB TYR A 10 -0.346 -3.654 2.921 1.00 0.00 C ATOM 165 CG TYR A 10 0.908 -3.437 3.771 1.00 0.00 C ATOM 166 CD1 TYR A 10 2.141 -3.832 3.294 1.00 0.00 C ATOM 167 CD2 TYR A 10 0.806 -2.847 5.014 1.00 0.00 C ATOM 168 CE1 TYR A 10 3.321 -3.628 4.093 1.00 0.00 C ATOM 169 CE2 TYR A 10 1.986 -2.643 5.814 1.00 0.00 C ATOM 170 CZ TYR A 10 3.185 -3.044 5.314 1.00 0.00 C ATOM 171 OH TYR A 10 4.300 -2.851 6.069 1.00 0.00 O ATOM 0 H TYR A 10 1.532 -2.500 1.464 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.427 -2.797 1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.221 -3.635 3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.302 -4.647 2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.221 -4.294 2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.159 -2.538 5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.292 -3.932 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.920 -2.182 6.789 1.00 0.00 H new ATOM 0 HH TYR A 10 4.052 -2.423 6.915 1.00 0.00 H new ATOM 181 N VAL A 11 -1.863 -0.681 2.344 1.00 0.00 N ATOM 182 CA VAL A 11 -2.131 0.635 2.898 1.00 0.00 C ATOM 183 C VAL A 11 -3.126 0.505 4.053 1.00 0.00 C ATOM 184 O VAL A 11 -4.284 0.147 3.842 1.00 0.00 O ATOM 185 CB VAL A 11 -2.616 1.578 1.794 1.00 0.00 C ATOM 186 CG1 VAL A 11 -2.767 3.006 2.321 1.00 0.00 C ATOM 187 CG2 VAL A 11 -1.679 1.535 0.586 1.00 0.00 C ATOM 0 H VAL A 11 -2.662 -1.124 1.891 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.218 1.072 3.303 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.598 1.236 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.113 3.656 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.492 3.019 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.804 3.362 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.046 2.214 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.678 1.840 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.644 0.521 0.189 1.00 0.00 H new ATOM 197 N LEU A 12 -2.639 0.803 5.248 1.00 0.00 N ATOM 198 CA LEU A 12 -3.470 0.724 6.437 1.00 0.00 C ATOM 199 C LEU A 12 -4.130 2.082 6.683 1.00 0.00 C ATOM 200 O LEU A 12 -3.608 3.115 6.267 1.00 0.00 O ATOM 201 CB LEU A 12 -2.657 0.210 7.626 1.00 0.00 C ATOM 202 CG LEU A 12 -2.126 -1.220 7.509 1.00 0.00 C ATOM 203 CD1 LEU A 12 -0.858 -1.405 8.344 1.00 0.00 C ATOM 204 CD2 LEU A 12 -3.208 -2.238 7.876 1.00 0.00 C ATOM 0 H LEU A 12 -1.678 1.100 5.419 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.273 0.000 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.810 0.879 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.278 0.274 8.520 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.854 -1.399 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.502 -2.430 8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.088 -0.717 7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.079 -1.200 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.805 -3.247 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.533 -2.069 8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.058 -2.125 7.203 1.00 0.00 H new ATOM 216 N LEU A 13 -5.269 2.037 7.360 1.00 0.00 N ATOM 217 CA LEU A 13 -6.006 3.251 7.667 1.00 0.00 C ATOM 218 C LEU A 13 -6.612 3.134 9.067 1.00 0.00 C ATOM 219 O LEU A 13 -7.303 2.162 9.369 1.00 0.00 O ATOM 220 CB LEU A 13 -7.035 3.544 6.573 1.00 0.00 C ATOM 221 CG LEU A 13 -8.324 4.228 7.032 1.00 0.00 C ATOM 222 CD1 LEU A 13 -8.037 5.627 7.582 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.361 4.256 5.907 1.00 0.00 C ATOM 0 H LEU A 13 -5.699 1.179 7.704 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.336 4.111 7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.563 4.171 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.298 2.604 6.088 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.749 3.643 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.970 6.091 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.360 5.552 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.576 6.236 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.268 4.748 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.959 4.804 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.596 3.236 5.603 1.00 0.00 H new ATOM 235 N CYS A 14 -6.330 4.138 9.884 1.00 0.00 N ATOM 236 CA CYS A 14 -6.839 4.160 11.245 1.00 0.00 C ATOM 237 C CYS A 14 -7.903 5.255 11.342 1.00 0.00 C ATOM 238 O CYS A 14 -8.210 5.918 10.352 1.00 0.00 O ATOM 239 CB CYS A 14 -5.717 4.362 12.265 1.00 0.00 C ATOM 240 SG CYS A 14 -4.773 5.878 11.865 1.00 0.00 S ATOM 0 H CYS A 14 -5.756 4.942 9.630 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.288 3.196 11.484 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.136 4.439 13.268 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.052 3.498 12.262 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.726 5.952 12.631 1.00 0.00 H new ATOM 246 N GLN A 15 -8.437 5.412 12.545 1.00 0.00 N ATOM 247 CA GLN A 15 -9.461 6.415 12.784 1.00 0.00 C ATOM 248 C GLN A 15 -8.853 7.818 12.726 1.00 0.00 C ATOM 249 O GLN A 15 -9.575 8.813 12.747 1.00 0.00 O ATOM 250 CB GLN A 15 -10.160 6.176 14.124 1.00 0.00 C ATOM 251 CG GLN A 15 -11.632 5.814 13.917 1.00 0.00 C ATOM 252 CD GLN A 15 -11.872 4.325 14.173 1.00 0.00 C ATOM 253 OE1 GLN A 15 -11.757 3.833 15.284 1.00 0.00 O ATOM 254 NE2 GLN A 15 -12.211 3.637 13.086 1.00 0.00 N ATOM 0 H GLN A 15 -8.180 4.861 13.364 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.213 6.333 11.999 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.657 5.373 14.663 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.085 7.071 14.742 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.254 6.407 14.588 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.932 6.065 12.900 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.290 4.111 12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.392 2.635 13.152 1.00 0.00 H new ATOM 263 N ASP A 16 -7.530 7.852 12.654 1.00 0.00 N ATOM 264 CA ASP A 16 -6.816 9.116 12.592 1.00 0.00 C ATOM 265 C ASP A 16 -6.413 9.400 11.144 1.00 0.00 C ATOM 266 O ASP A 16 -5.524 10.211 10.890 1.00 0.00 O ATOM 267 CB ASP A 16 -5.542 9.071 13.437 1.00 0.00 C ATOM 268 CG ASP A 16 -5.763 8.807 14.928 1.00 0.00 C ATOM 269 OD1 ASP A 16 -6.935 8.902 15.353 1.00 0.00 O ATOM 270 OD2 ASP A 16 -4.756 8.515 15.608 1.00 0.00 O ATOM 0 H ASP A 16 -6.934 7.024 12.637 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.476 9.894 12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.888 8.295 13.039 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.016 10.019 13.325 1.00 0.00 H new ATOM 275 N GLY A 17 -7.087 8.715 10.231 1.00 0.00 N ATOM 276 CA GLY A 17 -6.810 8.883 8.815 1.00 0.00 C ATOM 277 C GLY A 17 -5.305 8.845 8.542 1.00 0.00 C ATOM 278 O GLY A 17 -4.722 9.843 8.119 1.00 0.00 O ATOM 0 H GLY A 17 -7.824 8.043 10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.306 8.095 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.222 9.832 8.470 1.00 0.00 H new ATOM 282 N SER A 18 -4.719 7.685 8.796 1.00 0.00 N ATOM 283 CA SER A 18 -3.293 7.505 8.583 1.00 0.00 C ATOM 284 C SER A 18 -3.053 6.411 7.539 1.00 0.00 C ATOM 285 O SER A 18 -3.166 5.224 7.842 1.00 0.00 O ATOM 286 CB SER A 18 -2.580 7.155 9.891 1.00 0.00 C ATOM 287 OG SER A 18 -1.174 7.366 9.806 1.00 0.00 O ATOM 0 H SER A 18 -5.205 6.860 9.147 1.00 0.00 H new ATOM 0 HA SER A 18 -2.881 8.445 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.989 7.760 10.700 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.775 6.113 10.143 1.00 0.00 H new ATOM 0 HG SER A 18 -0.756 7.133 10.661 1.00 0.00 H new ATOM 293 N PHE A 19 -2.727 6.851 6.333 1.00 0.00 N ATOM 294 CA PHE A 19 -2.471 5.925 5.243 1.00 0.00 C ATOM 295 C PHE A 19 -1.019 5.444 5.262 1.00 0.00 C ATOM 296 O PHE A 19 -0.117 6.162 4.831 1.00 0.00 O ATOM 297 CB PHE A 19 -2.727 6.685 3.940 1.00 0.00 C ATOM 298 CG PHE A 19 -4.195 6.707 3.511 1.00 0.00 C ATOM 299 CD1 PHE A 19 -5.106 7.407 4.240 1.00 0.00 C ATOM 300 CD2 PHE A 19 -4.590 6.028 2.401 1.00 0.00 C ATOM 301 CE1 PHE A 19 -6.469 7.428 3.842 1.00 0.00 C ATOM 302 CE2 PHE A 19 -5.953 6.049 2.003 1.00 0.00 C ATOM 303 CZ PHE A 19 -6.864 6.748 2.732 1.00 0.00 C ATOM 0 H PHE A 19 -2.634 7.836 6.086 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.116 5.052 5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.377 7.711 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.134 6.233 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.792 7.947 5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.867 5.473 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.192 7.984 4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.266 5.510 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.901 6.763 2.430 1.00 0.00 H new ATOM 313 N TYR A 20 -0.836 4.232 5.766 1.00 0.00 N ATOM 314 CA TYR A 20 0.491 3.647 5.847 1.00 0.00 C ATOM 315 C TYR A 20 0.710 2.627 4.728 1.00 0.00 C ATOM 316 O TYR A 20 0.362 1.456 4.874 1.00 0.00 O ATOM 317 CB TYR A 20 0.554 2.928 7.196 1.00 0.00 C ATOM 318 CG TYR A 20 1.719 3.370 8.083 1.00 0.00 C ATOM 319 CD1 TYR A 20 1.741 4.646 8.608 1.00 0.00 C ATOM 320 CD2 TYR A 20 2.748 2.493 8.359 1.00 0.00 C ATOM 321 CE1 TYR A 20 2.838 5.062 9.444 1.00 0.00 C ATOM 322 CE2 TYR A 20 3.845 2.909 9.194 1.00 0.00 C ATOM 323 CZ TYR A 20 3.835 4.173 9.695 1.00 0.00 C ATOM 324 OH TYR A 20 4.871 4.566 10.484 1.00 0.00 O ATOM 0 H TYR A 20 -1.586 3.639 6.122 1.00 0.00 H new ATOM 0 HA TYR A 20 1.256 4.417 5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.381 3.098 7.730 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.631 1.855 7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.936 5.333 8.392 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.731 1.494 7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.868 6.058 9.862 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.657 2.233 9.417 1.00 0.00 H new ATOM 0 HH TYR A 20 5.509 3.828 10.578 1.00 0.00 H new ATOM 334 N GLY A 21 1.284 3.108 3.636 1.00 0.00 N ATOM 335 CA GLY A 21 1.553 2.252 2.493 1.00 0.00 C ATOM 336 C GLY A 21 3.025 1.835 2.454 1.00 0.00 C ATOM 337 O GLY A 21 3.908 2.676 2.294 1.00 0.00 O ATOM 0 H GLY A 21 1.571 4.080 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.921 1.365 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.295 2.776 1.573 1.00 0.00 H new ATOM 341 N GLY A 22 3.243 0.537 2.605 1.00 0.00 N ATOM 342 CA GLY A 22 4.592 -0.002 2.589 1.00 0.00 C ATOM 343 C GLY A 22 4.681 -1.231 1.682 1.00 0.00 C ATOM 344 O GLY A 22 3.717 -1.984 1.554 1.00 0.00 O ATOM 0 H GLY A 22 2.508 -0.157 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.288 0.761 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.892 -0.271 3.602 1.00 0.00 H new ATOM 348 N TYR A 23 5.847 -1.395 1.075 1.00 0.00 N ATOM 349 CA TYR A 23 6.075 -2.519 0.183 1.00 0.00 C ATOM 350 C TYR A 23 7.203 -3.412 0.703 1.00 0.00 C ATOM 351 O TYR A 23 8.347 -2.973 0.814 1.00 0.00 O ATOM 352 CB TYR A 23 6.497 -1.915 -1.158 1.00 0.00 C ATOM 353 CG TYR A 23 7.795 -1.107 -1.096 1.00 0.00 C ATOM 354 CD1 TYR A 23 7.779 0.189 -0.621 1.00 0.00 C ATOM 355 CD2 TYR A 23 8.981 -1.673 -1.515 1.00 0.00 C ATOM 356 CE1 TYR A 23 9.000 0.950 -0.562 1.00 0.00 C ATOM 357 CE2 TYR A 23 10.203 -0.913 -1.456 1.00 0.00 C ATOM 358 CZ TYR A 23 10.152 0.361 -0.983 1.00 0.00 C ATOM 359 OH TYR A 23 11.305 1.079 -0.927 1.00 0.00 O ATOM 0 H TYR A 23 6.644 -0.768 1.183 1.00 0.00 H new ATOM 0 HA TYR A 23 5.177 -3.132 0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.616 -2.718 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.697 -1.271 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.850 0.632 -0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.993 -2.687 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.001 1.965 -0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.138 -1.345 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 23 12.048 0.532 -1.258 1.00 0.00 H new ATOM 369 N THR A 24 6.841 -4.650 1.009 1.00 0.00 N ATOM 370 CA THR A 24 7.809 -5.609 1.515 1.00 0.00 C ATOM 371 C THR A 24 7.222 -7.022 1.490 1.00 0.00 C ATOM 372 O THR A 24 6.079 -7.216 1.079 1.00 0.00 O ATOM 373 CB THR A 24 8.239 -5.154 2.911 1.00 0.00 C ATOM 374 OG1 THR A 24 9.608 -5.540 2.995 1.00 0.00 O ATOM 375 CG2 THR A 24 7.557 -5.954 4.023 1.00 0.00 C ATOM 0 H THR A 24 5.891 -5.011 0.916 1.00 0.00 H new ATOM 0 HA THR A 24 8.696 -5.648 0.883 1.00 0.00 H new ATOM 0 HB THR A 24 8.012 -4.095 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.968 -5.281 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.897 -5.591 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.476 -5.832 3.948 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.811 -7.009 3.921 1.00 0.00 H new ATOM 383 N THR A 25 8.032 -7.972 1.934 1.00 0.00 N ATOM 384 CA THR A 25 7.607 -9.361 1.968 1.00 0.00 C ATOM 385 C THR A 25 7.448 -9.835 3.414 1.00 0.00 C ATOM 386 O THR A 25 8.283 -9.533 4.265 1.00 0.00 O ATOM 387 CB THR A 25 8.618 -10.184 1.166 1.00 0.00 C ATOM 388 OG1 THR A 25 9.862 -9.932 1.814 1.00 0.00 O ATOM 389 CG2 THR A 25 8.820 -9.643 -0.251 1.00 0.00 C ATOM 0 H THR A 25 8.980 -7.807 2.273 1.00 0.00 H new ATOM 0 HA THR A 25 6.626 -9.486 1.509 1.00 0.00 H new ATOM 0 HB THR A 25 8.284 -11.220 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.574 -10.429 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.546 -10.263 -0.777 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.871 -9.663 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.187 -8.618 -0.200 1.00 0.00 H new ATOM 397 N GLU A 26 6.371 -10.570 3.647 1.00 0.00 N ATOM 398 CA GLU A 26 6.092 -11.089 4.975 1.00 0.00 C ATOM 399 C GLU A 26 5.758 -9.943 5.933 1.00 0.00 C ATOM 400 O GLU A 26 6.484 -9.705 6.897 1.00 0.00 O ATOM 401 CB GLU A 26 7.267 -11.917 5.498 1.00 0.00 C ATOM 402 CG GLU A 26 7.777 -12.882 4.426 1.00 0.00 C ATOM 403 CD GLU A 26 9.221 -13.302 4.710 1.00 0.00 C ATOM 404 OE1 GLU A 26 9.431 -13.935 5.767 1.00 0.00 O ATOM 405 OE2 GLU A 26 10.082 -12.981 3.862 1.00 0.00 O ATOM 0 H GLU A 26 5.681 -10.819 2.938 1.00 0.00 H new ATOM 0 HA GLU A 26 5.226 -11.748 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.074 -11.254 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.957 -12.478 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.138 -13.764 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.718 -12.407 3.446 1.00 0.00 H new ATOM 412 N PRO A 27 4.631 -9.247 5.627 1.00 0.00 N ATOM 413 CA PRO A 27 4.193 -8.133 6.449 1.00 0.00 C ATOM 414 C PRO A 27 3.573 -8.627 7.758 1.00 0.00 C ATOM 415 O PRO A 27 3.553 -7.903 8.752 1.00 0.00 O ATOM 416 CB PRO A 27 3.211 -7.364 5.580 1.00 0.00 C ATOM 417 CG PRO A 27 2.783 -8.327 4.484 1.00 0.00 C ATOM 418 CD PRO A 27 3.747 -9.502 4.493 1.00 0.00 C ATOM 0 HA PRO A 27 5.017 -7.491 6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.353 -7.029 6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.677 -6.474 5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.762 -8.669 4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.795 -7.831 3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.218 -10.448 4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.307 -9.562 3.560 1.00 0.00 H new ATOM 426 N GLU A 28 3.083 -9.858 7.715 1.00 0.00 N ATOM 427 CA GLU A 28 2.465 -10.458 8.885 1.00 0.00 C ATOM 428 C GLU A 28 3.453 -10.485 10.053 1.00 0.00 C ATOM 429 O GLU A 28 3.086 -10.188 11.189 1.00 0.00 O ATOM 430 CB GLU A 28 1.947 -11.863 8.572 1.00 0.00 C ATOM 431 CG GLU A 28 0.996 -11.842 7.373 1.00 0.00 C ATOM 432 CD GLU A 28 -0.461 -11.740 7.831 1.00 0.00 C ATOM 433 OE1 GLU A 28 -0.903 -12.678 8.529 1.00 0.00 O ATOM 434 OE2 GLU A 28 -1.099 -10.727 7.472 1.00 0.00 O ATOM 0 H GLU A 28 3.102 -10.455 6.889 1.00 0.00 H new ATOM 0 HA GLU A 28 1.609 -9.847 9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.787 -12.526 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.431 -12.267 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.238 -10.998 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.132 -12.746 6.780 1.00 0.00 H new ATOM 441 N ARG A 29 4.688 -10.845 9.733 1.00 0.00 N ATOM 442 CA ARG A 29 5.732 -10.916 10.741 1.00 0.00 C ATOM 443 C ARG A 29 6.270 -9.516 11.047 1.00 0.00 C ATOM 444 O ARG A 29 6.536 -9.189 12.202 1.00 0.00 O ATOM 445 CB ARG A 29 6.885 -11.808 10.278 1.00 0.00 C ATOM 446 CG ARG A 29 6.643 -13.266 10.674 1.00 0.00 C ATOM 447 CD ARG A 29 7.185 -14.221 9.608 1.00 0.00 C ATOM 448 NE ARG A 29 8.300 -15.019 10.164 1.00 0.00 N ATOM 449 CZ ARG A 29 8.138 -16.141 10.878 1.00 0.00 C ATOM 450 NH1 ARG A 29 6.905 -16.603 11.128 1.00 0.00 N ATOM 451 NH2 ARG A 29 9.208 -16.801 11.343 1.00 0.00 N ATOM 0 H ARG A 29 4.989 -11.091 8.790 1.00 0.00 H new ATOM 0 HA ARG A 29 5.295 -11.346 11.642 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.994 -11.735 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.819 -11.458 10.717 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.124 -13.472 11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.575 -13.437 10.811 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.390 -14.882 9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.528 -13.655 8.742 1.00 0.00 H new ATOM 0 HE ARG A 29 9.252 -14.695 9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.091 -16.100 10.775 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.781 -17.457 11.672 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.146 -16.449 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.084 -17.655 11.887 1.00 0.00 H new ATOM 465 N ARG A 30 6.413 -8.728 9.992 1.00 0.00 N ATOM 466 CA ARG A 30 6.914 -7.372 10.133 1.00 0.00 C ATOM 467 C ARG A 30 5.911 -6.513 10.905 1.00 0.00 C ATOM 468 O ARG A 30 6.298 -5.586 11.615 1.00 0.00 O ATOM 469 CB ARG A 30 7.175 -6.736 8.766 1.00 0.00 C ATOM 470 CG ARG A 30 8.254 -5.655 8.861 1.00 0.00 C ATOM 471 CD ARG A 30 8.024 -4.558 7.820 1.00 0.00 C ATOM 472 NE ARG A 30 8.325 -3.233 8.406 1.00 0.00 N ATOM 473 CZ ARG A 30 9.562 -2.738 8.547 1.00 0.00 C ATOM 474 NH1 ARG A 30 10.621 -3.454 8.145 1.00 0.00 N ATOM 475 NH2 ARG A 30 9.741 -1.526 9.090 1.00 0.00 N ATOM 0 H ARG A 30 6.190 -9.003 9.035 1.00 0.00 H new ATOM 0 HA ARG A 30 7.854 -7.421 10.683 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.486 -7.504 8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.253 -6.301 8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.251 -5.220 9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.237 -6.103 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.657 -4.732 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.991 -4.585 7.473 1.00 0.00 H new ATOM 0 HE ARG A 30 7.542 -2.661 8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.486 -4.376 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.562 -3.076 8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.935 -0.980 9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.683 -1.149 9.197 1.00 0.00 H new ATOM 489 N LEU A 31 4.640 -6.851 10.739 1.00 0.00 N ATOM 490 CA LEU A 31 3.578 -6.122 11.412 1.00 0.00 C ATOM 491 C LEU A 31 3.600 -6.459 12.904 1.00 0.00 C ATOM 492 O LEU A 31 3.983 -5.628 13.726 1.00 0.00 O ATOM 493 CB LEU A 31 2.231 -6.396 10.739 1.00 0.00 C ATOM 494 CG LEU A 31 1.071 -5.498 11.172 1.00 0.00 C ATOM 495 CD1 LEU A 31 1.041 -4.207 10.351 1.00 0.00 C ATOM 496 CD2 LEU A 31 -0.260 -6.251 11.105 1.00 0.00 C ATOM 0 H LEU A 31 4.322 -7.620 10.149 1.00 0.00 H new ATOM 0 HA LEU A 31 3.739 -5.047 11.325 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.359 -6.297 9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.954 -7.432 10.933 1.00 0.00 H new ATOM 0 HG LEU A 31 1.229 -5.214 12.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.207 -3.587 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.975 -3.664 10.493 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.919 -4.450 9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.068 -5.590 11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.439 -6.584 10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.222 -7.116 11.767 1.00 0.00 H new ATOM 508 N THR A 32 3.185 -7.680 13.209 1.00 0.00 N ATOM 509 CA THR A 32 3.152 -8.137 14.588 1.00 0.00 C ATOM 510 C THR A 32 4.392 -7.650 15.340 1.00 0.00 C ATOM 511 O THR A 32 4.299 -7.235 16.495 1.00 0.00 O ATOM 512 CB THR A 32 3.005 -9.660 14.578 1.00 0.00 C ATOM 513 OG1 THR A 32 2.393 -9.958 15.830 1.00 0.00 O ATOM 514 CG2 THR A 32 4.355 -10.378 14.643 1.00 0.00 C ATOM 0 H THR A 32 2.869 -8.367 12.524 1.00 0.00 H new ATOM 0 HA THR A 32 2.300 -7.718 15.124 1.00 0.00 H new ATOM 0 HB THR A 32 2.473 -9.968 13.678 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.259 -10.926 15.907 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.195 -11.456 14.633 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.960 -10.093 13.782 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.873 -10.097 15.560 1.00 0.00 H new ATOM 522 N GLU A 33 5.524 -7.718 14.656 1.00 0.00 N ATOM 523 CA GLU A 33 6.782 -7.289 15.246 1.00 0.00 C ATOM 524 C GLU A 33 6.650 -5.871 15.805 1.00 0.00 C ATOM 525 O GLU A 33 6.872 -5.646 16.993 1.00 0.00 O ATOM 526 CB GLU A 33 7.921 -7.374 14.228 1.00 0.00 C ATOM 527 CG GLU A 33 9.250 -6.950 14.857 1.00 0.00 C ATOM 528 CD GLU A 33 10.412 -7.179 13.889 1.00 0.00 C ATOM 529 OE1 GLU A 33 10.893 -8.332 13.842 1.00 0.00 O ATOM 530 OE2 GLU A 33 10.793 -6.196 13.217 1.00 0.00 O ATOM 0 H GLU A 33 5.597 -8.063 13.699 1.00 0.00 H new ATOM 0 HA GLU A 33 7.023 -7.961 16.069 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.002 -8.394 13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.698 -6.735 13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.205 -5.897 15.135 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.419 -7.515 15.774 1.00 0.00 H new ATOM 537 N HIS A 34 6.288 -4.952 14.922 1.00 0.00 N ATOM 538 CA HIS A 34 6.124 -3.562 15.312 1.00 0.00 C ATOM 539 C HIS A 34 5.236 -3.480 16.555 1.00 0.00 C ATOM 540 O HIS A 34 5.649 -2.948 17.584 1.00 0.00 O ATOM 541 CB HIS A 34 5.590 -2.730 14.145 1.00 0.00 C ATOM 542 CG HIS A 34 4.801 -1.513 14.569 1.00 0.00 C ATOM 543 ND1 HIS A 34 3.418 -1.488 14.594 1.00 0.00 N ATOM 544 CD2 HIS A 34 5.217 -0.283 14.985 1.00 0.00 C ATOM 545 CE1 HIS A 34 3.029 -0.290 15.007 1.00 0.00 C ATOM 546 NE2 HIS A 34 4.145 0.455 15.248 1.00 0.00 N ATOM 0 H HIS A 34 6.104 -5.143 13.937 1.00 0.00 H new ATOM 0 HA HIS A 34 7.093 -3.136 15.572 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.429 -2.410 13.527 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.957 -3.362 13.521 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.244 0.037 15.084 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.008 0.038 15.131 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.155 1.421 15.576 1.00 0.00 H new ATOM 554 N ASN A 35 4.032 -4.015 16.419 1.00 0.00 N ATOM 555 CA ASN A 35 3.081 -4.009 17.518 1.00 0.00 C ATOM 556 C ASN A 35 3.764 -4.541 18.780 1.00 0.00 C ATOM 557 O ASN A 35 3.795 -3.863 19.806 1.00 0.00 O ATOM 558 CB ASN A 35 1.882 -4.909 17.215 1.00 0.00 C ATOM 559 CG ASN A 35 0.656 -4.079 16.829 1.00 0.00 C ATOM 560 OD1 ASN A 35 0.213 -3.205 17.556 1.00 0.00 O ATOM 561 ND2 ASN A 35 0.135 -4.399 15.649 1.00 0.00 N ATOM 0 H ASN A 35 3.693 -4.456 15.564 1.00 0.00 H new ATOM 0 HA ASN A 35 2.736 -2.985 17.659 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.132 -5.593 16.404 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.652 -5.520 18.088 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.685 -3.902 15.302 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.556 -5.142 15.090 1.00 0.00 H new ATOM 568 N SER A 36 4.294 -5.750 18.663 1.00 0.00 N ATOM 569 CA SER A 36 4.975 -6.380 19.781 1.00 0.00 C ATOM 570 C SER A 36 6.466 -6.041 19.745 1.00 0.00 C ATOM 571 O SER A 36 7.308 -6.904 19.987 1.00 0.00 O ATOM 572 CB SER A 36 4.774 -7.897 19.764 1.00 0.00 C ATOM 573 OG SER A 36 4.777 -8.451 21.076 1.00 0.00 O ATOM 0 H SER A 36 4.265 -6.310 17.811 1.00 0.00 H new ATOM 0 HA SER A 36 4.544 -5.994 20.705 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.829 -8.132 19.274 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.564 -8.361 19.173 1.00 0.00 H new ATOM 0 HG SER A 36 4.644 -9.420 21.022 1.00 0.00 H new ATOM 579 N GLY A 37 6.747 -4.783 19.440 1.00 0.00 N ATOM 580 CA GLY A 37 8.122 -4.319 19.368 1.00 0.00 C ATOM 581 C GLY A 37 8.351 -3.135 20.309 1.00 0.00 C ATOM 582 O GLY A 37 9.133 -3.229 21.254 1.00 0.00 O ATOM 0 H GLY A 37 6.045 -4.070 19.240 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.798 -5.133 19.630 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.358 -4.026 18.345 1.00 0.00 H new ATOM 586 N THR A 38 7.655 -2.046 20.017 1.00 0.00 N ATOM 587 CA THR A 38 7.772 -0.844 20.825 1.00 0.00 C ATOM 588 C THR A 38 7.533 -1.168 22.301 1.00 0.00 C ATOM 589 O THR A 38 8.436 -1.030 23.125 1.00 0.00 O ATOM 590 CB THR A 38 6.801 0.198 20.267 1.00 0.00 C ATOM 591 OG1 THR A 38 7.363 0.557 19.008 1.00 0.00 O ATOM 592 CG2 THR A 38 6.817 1.502 21.067 1.00 0.00 C ATOM 0 H THR A 38 7.008 -1.971 19.232 1.00 0.00 H new ATOM 0 HA THR A 38 8.779 -0.430 20.774 1.00 0.00 H new ATOM 0 HB THR A 38 5.791 -0.213 20.263 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.795 1.229 18.576 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.110 2.207 20.629 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.533 1.299 22.100 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.819 1.931 21.044 1.00 0.00 H new ATOM 600 N GLY A 39 6.312 -1.593 22.590 1.00 0.00 N ATOM 601 CA GLY A 39 5.942 -1.938 23.953 1.00 0.00 C ATOM 602 C GLY A 39 4.559 -2.589 23.997 1.00 0.00 C ATOM 603 O GLY A 39 3.594 -2.043 23.464 1.00 0.00 O ATOM 0 H GLY A 39 5.566 -1.706 21.904 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.682 -2.619 24.373 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.946 -1.041 24.573 1.00 0.00 H new ATOM 607 N ALA A 40 4.505 -3.747 24.639 1.00 0.00 N ATOM 608 CA ALA A 40 3.255 -4.479 24.760 1.00 0.00 C ATOM 609 C ALA A 40 3.495 -5.760 25.561 1.00 0.00 C ATOM 610 O ALA A 40 4.639 -6.159 25.773 1.00 0.00 O ATOM 611 CB ALA A 40 2.691 -4.760 23.366 1.00 0.00 C ATOM 0 H ALA A 40 5.307 -4.197 25.081 1.00 0.00 H new ATOM 0 HA ALA A 40 2.514 -3.888 25.298 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.754 -5.309 23.457 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.511 -3.817 22.850 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.406 -5.354 22.797 1.00 0.00 H new ATOM 617 N LYS A 41 2.397 -6.368 25.985 1.00 0.00 N ATOM 618 CA LYS A 41 2.474 -7.596 26.759 1.00 0.00 C ATOM 619 C LYS A 41 1.729 -8.708 26.017 1.00 0.00 C ATOM 620 O LYS A 41 2.350 -9.604 25.448 1.00 0.00 O ATOM 621 CB LYS A 41 1.970 -7.363 28.185 1.00 0.00 C ATOM 622 CG LYS A 41 2.901 -8.017 29.208 1.00 0.00 C ATOM 623 CD LYS A 41 2.123 -8.947 30.141 1.00 0.00 C ATOM 624 CE LYS A 41 2.465 -8.666 31.606 1.00 0.00 C ATOM 625 NZ LYS A 41 2.878 -9.912 32.290 1.00 0.00 N ATOM 0 H LYS A 41 1.450 -6.034 25.808 1.00 0.00 H new ATOM 0 HA LYS A 41 3.510 -7.918 26.861 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.903 -6.293 28.381 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.964 -7.770 28.290 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.677 -8.581 28.691 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.403 -7.246 29.793 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.053 -8.815 29.982 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.355 -9.985 29.902 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.267 -7.930 31.664 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.600 -8.236 32.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.106 -9.704 33.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.102 -10.603 32.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.716 -10.306 31.817 1.00 0.00 H new ATOM 639 N TYR A 42 0.407 -8.614 26.049 1.00 0.00 N ATOM 640 CA TYR A 42 -0.429 -9.601 25.387 1.00 0.00 C ATOM 641 C TYR A 42 -1.737 -8.974 24.900 1.00 0.00 C ATOM 642 O TYR A 42 -2.702 -8.876 25.657 1.00 0.00 O ATOM 643 CB TYR A 42 -0.748 -10.661 26.444 1.00 0.00 C ATOM 644 CG TYR A 42 -0.705 -12.097 25.918 1.00 0.00 C ATOM 645 CD1 TYR A 42 0.508 -12.732 25.746 1.00 0.00 C ATOM 646 CD2 TYR A 42 -1.878 -12.756 25.615 1.00 0.00 C ATOM 647 CE1 TYR A 42 0.549 -14.084 25.251 1.00 0.00 C ATOM 648 CE2 TYR A 42 -1.838 -14.108 25.120 1.00 0.00 C ATOM 649 CZ TYR A 42 -0.626 -14.705 24.963 1.00 0.00 C ATOM 650 OH TYR A 42 -0.588 -15.982 24.495 1.00 0.00 O ATOM 0 H TYR A 42 -0.105 -7.870 26.523 1.00 0.00 H new ATOM 0 HA TYR A 42 0.083 -10.017 24.519 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.039 -10.565 27.266 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.739 -10.464 26.853 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.426 -12.215 25.982 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.827 -12.258 25.749 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.491 -14.593 25.112 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.749 -14.635 24.879 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.501 -16.299 24.333 1.00 0.00 H new ATOM 660 N THR A 43 -1.726 -8.564 23.640 1.00 0.00 N ATOM 661 CA THR A 43 -2.900 -7.949 23.044 1.00 0.00 C ATOM 662 C THR A 43 -2.903 -8.165 21.529 1.00 0.00 C ATOM 663 O THR A 43 -2.321 -7.378 20.784 1.00 0.00 O ATOM 664 CB THR A 43 -2.916 -6.473 23.447 1.00 0.00 C ATOM 665 OG1 THR A 43 -2.994 -6.502 24.869 1.00 0.00 O ATOM 666 CG2 THR A 43 -4.202 -5.763 23.017 1.00 0.00 C ATOM 0 H THR A 43 -0.923 -8.646 23.016 1.00 0.00 H new ATOM 0 HA THR A 43 -3.817 -8.411 23.409 1.00 0.00 H new ATOM 0 HB THR A 43 -2.057 -5.967 23.006 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.265 -7.396 25.164 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.162 -4.719 23.327 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.302 -5.816 21.933 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.059 -6.248 23.484 1.00 0.00 H new ATOM 674 N ARG A 44 -3.567 -9.236 21.118 1.00 0.00 N ATOM 675 CA ARG A 44 -3.654 -9.566 19.706 1.00 0.00 C ATOM 676 C ARG A 44 -4.733 -8.719 19.029 1.00 0.00 C ATOM 677 O ARG A 44 -4.451 -7.992 18.077 1.00 0.00 O ATOM 678 CB ARG A 44 -3.978 -11.048 19.505 1.00 0.00 C ATOM 679 CG ARG A 44 -2.698 -11.878 19.389 1.00 0.00 C ATOM 680 CD ARG A 44 -2.088 -11.752 17.991 1.00 0.00 C ATOM 681 NE ARG A 44 -0.634 -12.024 18.047 1.00 0.00 N ATOM 682 CZ ARG A 44 -0.103 -13.246 18.184 1.00 0.00 C ATOM 683 NH1 ARG A 44 -0.903 -14.317 18.281 1.00 0.00 N ATOM 684 NH2 ARG A 44 1.228 -13.398 18.226 1.00 0.00 N ATOM 0 H ARG A 44 -4.050 -9.886 21.738 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.684 -9.354 19.256 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.576 -11.410 20.341 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.580 -11.174 18.605 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.976 -11.547 20.136 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.918 -12.924 19.601 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.571 -12.452 17.310 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.264 -10.751 17.597 1.00 0.00 H new ATOM 0 HE ARG A 44 0.004 -11.231 17.977 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.916 -14.201 18.250 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.499 -15.248 18.385 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.837 -12.583 18.154 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.632 -14.329 18.330 1.00 0.00 H new ATOM 698 N LEU A 45 -5.947 -8.841 19.546 1.00 0.00 N ATOM 699 CA LEU A 45 -7.070 -8.096 19.003 1.00 0.00 C ATOM 700 C LEU A 45 -6.636 -6.655 18.729 1.00 0.00 C ATOM 701 O LEU A 45 -6.751 -6.171 17.604 1.00 0.00 O ATOM 702 CB LEU A 45 -8.284 -8.208 19.927 1.00 0.00 C ATOM 703 CG LEU A 45 -7.983 -8.262 21.426 1.00 0.00 C ATOM 704 CD1 LEU A 45 -8.730 -7.158 22.176 1.00 0.00 C ATOM 705 CD2 LEU A 45 -8.287 -9.649 21.996 1.00 0.00 C ATOM 0 H LEU A 45 -6.177 -9.445 20.335 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.384 -8.521 18.050 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.939 -7.357 19.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.841 -9.105 19.656 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.917 -8.082 21.567 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.498 -7.219 23.239 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.422 -6.185 21.793 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.803 -7.282 22.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.065 -9.661 23.063 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.341 -9.883 21.842 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.673 -10.393 21.489 1.00 0.00 H new ATOM 717 N ALA A 46 -6.146 -6.009 19.777 1.00 0.00 N ATOM 718 CA ALA A 46 -5.694 -4.633 19.664 1.00 0.00 C ATOM 719 C ALA A 46 -6.881 -3.738 19.303 1.00 0.00 C ATOM 720 O ALA A 46 -7.290 -3.681 18.145 1.00 0.00 O ATOM 721 CB ALA A 46 -4.566 -4.549 18.633 1.00 0.00 C ATOM 0 H ALA A 46 -6.052 -6.413 20.709 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.294 -4.282 20.615 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.227 -3.517 18.548 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.735 -5.179 18.951 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.932 -4.892 17.665 1.00 0.00 H new ATOM 727 N LYS A 47 -7.402 -3.063 20.317 1.00 0.00 N ATOM 728 CA LYS A 47 -8.535 -2.174 20.121 1.00 0.00 C ATOM 729 C LYS A 47 -8.026 -0.785 19.731 1.00 0.00 C ATOM 730 O LYS A 47 -8.232 -0.339 18.603 1.00 0.00 O ATOM 731 CB LYS A 47 -9.435 -2.174 21.358 1.00 0.00 C ATOM 732 CG LYS A 47 -10.149 -3.518 21.518 1.00 0.00 C ATOM 733 CD LYS A 47 -11.291 -3.416 22.531 1.00 0.00 C ATOM 734 CE LYS A 47 -12.488 -2.672 21.935 1.00 0.00 C ATOM 735 NZ LYS A 47 -13.355 -3.606 21.183 1.00 0.00 N ATOM 0 H LYS A 47 -7.061 -3.114 21.277 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.159 -2.527 19.300 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.838 -1.968 22.246 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.171 -1.375 21.276 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.541 -3.842 20.554 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.436 -4.276 21.843 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.597 -4.415 22.841 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.944 -2.897 23.425 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.061 -2.195 22.731 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.139 -1.879 21.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.163 -3.086 20.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.810 -4.041 20.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.703 -4.348 21.823 1.00 0.00 H new ATOM 749 N ARG A 48 -7.371 -0.140 20.685 1.00 0.00 N ATOM 750 CA ARG A 48 -6.831 1.189 20.454 1.00 0.00 C ATOM 751 C ARG A 48 -6.121 1.246 19.100 1.00 0.00 C ATOM 752 O ARG A 48 -5.434 0.302 18.715 1.00 0.00 O ATOM 753 CB ARG A 48 -5.845 1.582 21.556 1.00 0.00 C ATOM 754 CG ARG A 48 -6.554 1.712 22.906 1.00 0.00 C ATOM 755 CD ARG A 48 -5.589 1.436 24.061 1.00 0.00 C ATOM 756 NE ARG A 48 -6.292 0.714 25.145 1.00 0.00 N ATOM 757 CZ ARG A 48 -5.725 0.373 26.311 1.00 0.00 C ATOM 758 NH1 ARG A 48 -4.444 0.685 26.550 1.00 0.00 N ATOM 759 NH2 ARG A 48 -6.439 -0.281 27.237 1.00 0.00 N ATOM 0 H ARG A 48 -7.202 -0.513 21.619 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.665 1.891 20.461 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.056 0.834 21.626 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.366 2.527 21.300 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.971 2.714 23.007 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.390 1.014 22.951 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.744 0.845 23.707 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.185 2.374 24.440 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.269 0.460 24.996 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.900 1.182 25.845 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.013 0.425 27.437 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.414 -0.519 27.055 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.008 -0.541 28.124 1.00 0.00 H new ATOM 773 N ARG A 49 -6.312 2.364 18.415 1.00 0.00 N ATOM 774 CA ARG A 49 -5.698 2.557 17.112 1.00 0.00 C ATOM 775 C ARG A 49 -6.048 1.393 16.183 1.00 0.00 C ATOM 776 O ARG A 49 -5.277 0.443 16.054 1.00 0.00 O ATOM 777 CB ARG A 49 -4.177 2.667 17.230 1.00 0.00 C ATOM 778 CG ARG A 49 -3.631 3.749 16.296 1.00 0.00 C ATOM 779 CD ARG A 49 -2.461 3.217 15.466 1.00 0.00 C ATOM 780 NE ARG A 49 -2.528 3.759 14.091 1.00 0.00 N ATOM 781 CZ ARG A 49 -1.657 3.453 13.119 1.00 0.00 C ATOM 782 NH1 ARG A 49 -0.647 2.608 13.366 1.00 0.00 N ATOM 783 NH2 ARG A 49 -1.797 3.992 11.900 1.00 0.00 N ATOM 0 H ARG A 49 -6.883 3.145 18.738 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.086 3.487 16.697 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.904 2.899 18.260 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.720 1.708 16.988 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.424 4.096 15.633 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.305 4.609 16.881 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.516 3.499 15.931 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.490 2.128 15.438 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.284 4.406 13.869 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.541 2.197 14.294 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.016 2.375 12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.566 4.635 11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.134 3.759 11.160 1.00 0.00 H new ATOM 797 N PRO A 50 -7.243 1.507 15.543 1.00 0.00 N ATOM 798 CA PRO A 50 -7.704 0.475 14.630 1.00 0.00 C ATOM 799 C PRO A 50 -6.947 0.540 13.302 1.00 0.00 C ATOM 800 O PRO A 50 -6.578 1.621 12.846 1.00 0.00 O ATOM 801 CB PRO A 50 -9.196 0.724 14.476 1.00 0.00 C ATOM 802 CG PRO A 50 -9.429 2.154 14.935 1.00 0.00 C ATOM 803 CD PRO A 50 -8.182 2.617 15.671 1.00 0.00 C ATOM 0 HA PRO A 50 -7.518 -0.532 15.004 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.510 0.590 13.441 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.773 0.022 15.077 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.630 2.801 14.081 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.300 2.208 15.588 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.779 3.529 15.232 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.397 2.835 16.717 1.00 0.00 H new ATOM 811 N VAL A 51 -6.738 -0.632 12.719 1.00 0.00 N ATOM 812 CA VAL A 51 -6.032 -0.722 11.452 1.00 0.00 C ATOM 813 C VAL A 51 -6.922 -1.427 10.426 1.00 0.00 C ATOM 814 O VAL A 51 -7.251 -2.601 10.587 1.00 0.00 O ATOM 815 CB VAL A 51 -4.684 -1.417 11.653 1.00 0.00 C ATOM 816 CG1 VAL A 51 -3.746 -0.559 12.504 1.00 0.00 C ATOM 817 CG2 VAL A 51 -4.870 -2.805 12.269 1.00 0.00 C ATOM 0 H VAL A 51 -7.045 -1.527 13.101 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.815 0.273 11.064 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.223 -1.545 10.674 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.795 -1.076 12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.576 0.396 12.007 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.198 -0.385 13.480 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.897 -3.278 12.401 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.362 -2.711 13.237 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.484 -3.417 11.608 1.00 0.00 H new ATOM 827 N ILE A 52 -7.285 -0.680 9.393 1.00 0.00 N ATOM 828 CA ILE A 52 -8.130 -1.219 8.341 1.00 0.00 C ATOM 829 C ILE A 52 -7.356 -1.219 7.021 1.00 0.00 C ATOM 830 O ILE A 52 -6.478 -0.384 6.813 1.00 0.00 O ATOM 831 CB ILE A 52 -9.456 -0.458 8.276 1.00 0.00 C ATOM 832 CG1 ILE A 52 -9.288 0.875 7.545 1.00 0.00 C ATOM 833 CG2 ILE A 52 -10.052 -0.274 9.674 1.00 0.00 C ATOM 834 CD1 ILE A 52 -10.162 0.926 6.290 1.00 0.00 C ATOM 0 H ILE A 52 -7.009 0.293 9.262 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.393 -2.254 8.557 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.164 -1.054 7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.554 1.695 8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.242 1.014 7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.994 0.270 9.599 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.231 -1.250 10.124 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.356 0.290 10.295 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.024 1.884 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.877 0.119 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.209 0.811 6.571 1.00 0.00 H new ATOM 846 N MET A 53 -7.711 -2.166 6.165 1.00 0.00 N ATOM 847 CA MET A 53 -7.060 -2.286 4.871 1.00 0.00 C ATOM 848 C MET A 53 -8.056 -2.050 3.733 1.00 0.00 C ATOM 849 O MET A 53 -9.034 -2.783 3.596 1.00 0.00 O ATOM 850 CB MET A 53 -6.450 -3.682 4.734 1.00 0.00 C ATOM 851 CG MET A 53 -5.010 -3.603 4.221 1.00 0.00 C ATOM 852 SD MET A 53 -4.125 -5.090 4.656 1.00 0.00 S ATOM 853 CE MET A 53 -2.931 -4.418 5.800 1.00 0.00 C ATOM 0 H MET A 53 -8.440 -2.857 6.342 1.00 0.00 H new ATOM 0 HA MET A 53 -6.277 -1.530 4.807 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.469 -4.187 5.700 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.051 -4.280 4.049 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.007 -3.472 3.139 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.510 -2.734 4.649 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.960 -4.883 5.628 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.849 -3.341 5.650 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.253 -4.619 6.822 1.00 0.00 H new ATOM 863 N ILE A 54 -7.772 -1.023 2.945 1.00 0.00 N ATOM 864 CA ILE A 54 -8.630 -0.681 1.823 1.00 0.00 C ATOM 865 C ILE A 54 -7.875 -0.926 0.516 1.00 0.00 C ATOM 866 O ILE A 54 -8.472 -0.929 -0.559 1.00 0.00 O ATOM 867 CB ILE A 54 -9.158 0.748 1.969 1.00 0.00 C ATOM 868 CG1 ILE A 54 -8.139 1.765 1.452 1.00 0.00 C ATOM 869 CG2 ILE A 54 -9.572 1.034 3.414 1.00 0.00 C ATOM 870 CD1 ILE A 54 -6.900 1.803 2.349 1.00 0.00 C ATOM 0 H ILE A 54 -6.960 -0.417 3.061 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.511 -1.323 1.808 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.051 0.847 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.848 1.508 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.595 2.754 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.943 2.056 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.357 0.339 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.711 0.911 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.191 2.534 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.192 2.084 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.433 0.818 2.366 1.00 0.00 H new ATOM 882 N HIS A 55 -6.572 -1.128 0.651 1.00 0.00 N ATOM 883 CA HIS A 55 -5.729 -1.374 -0.507 1.00 0.00 C ATOM 884 C HIS A 55 -4.947 -2.674 -0.305 1.00 0.00 C ATOM 885 O HIS A 55 -4.431 -2.930 0.781 1.00 0.00 O ATOM 886 CB HIS A 55 -4.821 -0.173 -0.783 1.00 0.00 C ATOM 887 CG HIS A 55 -5.564 1.129 -0.964 1.00 0.00 C ATOM 888 ND1 HIS A 55 -6.375 1.385 -2.056 1.00 0.00 N ATOM 889 CD2 HIS A 55 -5.611 2.244 -0.180 1.00 0.00 C ATOM 890 CE1 HIS A 55 -6.881 2.602 -1.925 1.00 0.00 C ATOM 891 NE2 HIS A 55 -6.406 3.134 -0.762 1.00 0.00 N ATOM 0 H HIS A 55 -6.080 -1.126 1.544 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.350 -1.498 -1.394 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.116 -0.066 0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.234 -0.372 -1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.090 2.380 0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.552 3.088 -2.618 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.625 4.062 -0.400 1.00 0.00 H new ATOM 899 N THR A 56 -4.885 -3.460 -1.370 1.00 0.00 N ATOM 900 CA THR A 56 -4.176 -4.727 -1.323 1.00 0.00 C ATOM 901 C THR A 56 -3.670 -5.106 -2.717 1.00 0.00 C ATOM 902 O THR A 56 -4.449 -5.524 -3.572 1.00 0.00 O ATOM 903 CB THR A 56 -5.112 -5.772 -0.712 1.00 0.00 C ATOM 904 OG1 THR A 56 -6.384 -5.472 -1.280 1.00 0.00 O ATOM 905 CG2 THR A 56 -5.317 -5.567 0.790 1.00 0.00 C ATOM 0 H THR A 56 -5.314 -3.244 -2.270 1.00 0.00 H new ATOM 0 HA THR A 56 -3.288 -4.660 -0.695 1.00 0.00 H new ATOM 0 HB THR A 56 -4.709 -6.769 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.295 -5.378 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.989 -6.335 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.357 -5.637 1.301 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.751 -4.583 0.967 1.00 0.00 H new ATOM 913 N GLU A 57 -2.367 -4.947 -2.902 1.00 0.00 N ATOM 914 CA GLU A 57 -1.748 -5.267 -4.176 1.00 0.00 C ATOM 915 C GLU A 57 -0.240 -5.455 -4.001 1.00 0.00 C ATOM 916 O GLU A 57 0.365 -4.858 -3.111 1.00 0.00 O ATOM 917 CB GLU A 57 -2.048 -4.188 -5.218 1.00 0.00 C ATOM 918 CG GLU A 57 -3.004 -4.713 -6.292 1.00 0.00 C ATOM 919 CD GLU A 57 -3.115 -3.727 -7.457 1.00 0.00 C ATOM 920 OE1 GLU A 57 -2.260 -3.821 -8.364 1.00 0.00 O ATOM 921 OE2 GLU A 57 -4.052 -2.902 -7.414 1.00 0.00 O ATOM 0 H GLU A 57 -1.724 -4.601 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.172 -6.204 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.487 -3.318 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.119 -3.858 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.651 -5.677 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.989 -4.880 -5.857 1.00 0.00 H new ATOM 928 N LYS A 58 0.325 -6.286 -4.865 1.00 0.00 N ATOM 929 CA LYS A 58 1.751 -6.560 -4.816 1.00 0.00 C ATOM 930 C LYS A 58 2.375 -6.236 -6.175 1.00 0.00 C ATOM 931 O LYS A 58 1.665 -6.094 -7.170 1.00 0.00 O ATOM 932 CB LYS A 58 2.006 -7.995 -4.350 1.00 0.00 C ATOM 933 CG LYS A 58 1.562 -9.004 -5.412 1.00 0.00 C ATOM 934 CD LYS A 58 0.112 -9.437 -5.185 1.00 0.00 C ATOM 935 CE LYS A 58 -0.730 -9.210 -6.442 1.00 0.00 C ATOM 936 NZ LYS A 58 -1.564 -10.399 -6.728 1.00 0.00 N ATOM 0 H LYS A 58 -0.179 -6.778 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 58 2.236 -5.919 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.067 -8.129 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.468 -8.180 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.662 -8.562 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.214 -9.877 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.082 -10.491 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.313 -8.877 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.367 -8.336 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.079 -9.003 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.129 -10.229 -7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.951 -11.226 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.199 -10.579 -5.924 1.00 0.00 H new ATOM 950 N PHE A 59 3.695 -6.129 -6.174 1.00 0.00 N ATOM 951 CA PHE A 59 4.422 -5.824 -7.395 1.00 0.00 C ATOM 952 C PHE A 59 5.455 -6.909 -7.703 1.00 0.00 C ATOM 953 O PHE A 59 6.122 -7.411 -6.800 1.00 0.00 O ATOM 954 CB PHE A 59 5.148 -4.497 -7.164 1.00 0.00 C ATOM 955 CG PHE A 59 4.298 -3.438 -6.458 1.00 0.00 C ATOM 956 CD1 PHE A 59 3.020 -3.210 -6.864 1.00 0.00 C ATOM 957 CD2 PHE A 59 4.821 -2.724 -5.425 1.00 0.00 C ATOM 958 CE1 PHE A 59 2.232 -2.227 -6.209 1.00 0.00 C ATOM 959 CE2 PHE A 59 4.032 -1.742 -4.770 1.00 0.00 C ATOM 960 CZ PHE A 59 2.754 -1.514 -5.176 1.00 0.00 C ATOM 0 H PHE A 59 4.281 -6.248 -5.347 1.00 0.00 H new ATOM 0 HA PHE A 59 3.730 -5.769 -8.236 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.044 -4.683 -6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.477 -4.102 -8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.605 -3.776 -7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.836 -2.904 -5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.217 -2.046 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.447 -1.176 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.154 -0.767 -4.678 1.00 0.00 H new ATOM 970 N GLU A 60 5.556 -7.239 -8.983 1.00 0.00 N ATOM 971 CA GLU A 60 6.497 -8.256 -9.421 1.00 0.00 C ATOM 972 C GLU A 60 7.851 -7.621 -9.744 1.00 0.00 C ATOM 973 O GLU A 60 8.890 -8.106 -9.296 1.00 0.00 O ATOM 974 CB GLU A 60 5.951 -9.025 -10.626 1.00 0.00 C ATOM 975 CG GLU A 60 6.757 -10.301 -10.873 1.00 0.00 C ATOM 976 CD GLU A 60 5.906 -11.359 -11.579 1.00 0.00 C ATOM 977 OE1 GLU A 60 4.735 -11.510 -11.170 1.00 0.00 O ATOM 978 OE2 GLU A 60 6.447 -11.994 -12.510 1.00 0.00 O ATOM 0 H GLU A 60 5.002 -6.820 -9.730 1.00 0.00 H new ATOM 0 HA GLU A 60 6.636 -8.969 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.905 -9.279 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.986 -8.391 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.633 -10.070 -11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.120 -10.695 -9.924 1.00 0.00 H new ATOM 985 N THR A 61 7.797 -6.548 -10.519 1.00 0.00 N ATOM 986 CA THR A 61 9.006 -5.842 -10.906 1.00 0.00 C ATOM 987 C THR A 61 9.232 -4.631 -9.999 1.00 0.00 C ATOM 988 O THR A 61 8.350 -4.257 -9.227 1.00 0.00 O ATOM 989 CB THR A 61 8.887 -5.478 -12.387 1.00 0.00 C ATOM 990 OG1 THR A 61 7.746 -4.628 -12.445 1.00 0.00 O ATOM 991 CG2 THR A 61 8.503 -6.678 -13.256 1.00 0.00 C ATOM 0 H THR A 61 6.934 -6.150 -10.890 1.00 0.00 H new ATOM 0 HA THR A 61 9.888 -6.471 -10.780 1.00 0.00 H new ATOM 0 HB THR A 61 9.833 -5.065 -12.736 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.597 -4.343 -13.371 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.432 -6.365 -14.298 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.263 -7.454 -13.161 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.540 -7.071 -12.929 1.00 0.00 H new ATOM 999 N ARG A 62 10.417 -4.052 -10.123 1.00 0.00 N ATOM 1000 CA ARG A 62 10.769 -2.891 -9.323 1.00 0.00 C ATOM 1001 C ARG A 62 10.227 -1.615 -9.973 1.00 0.00 C ATOM 1002 O ARG A 62 9.722 -0.730 -9.284 1.00 0.00 O ATOM 1003 CB ARG A 62 12.286 -2.770 -9.166 1.00 0.00 C ATOM 1004 CG ARG A 62 12.688 -2.800 -7.690 1.00 0.00 C ATOM 1005 CD ARG A 62 14.070 -2.177 -7.485 1.00 0.00 C ATOM 1006 NE ARG A 62 15.079 -3.240 -7.278 1.00 0.00 N ATOM 1007 CZ ARG A 62 16.392 -3.012 -7.135 1.00 0.00 C ATOM 1008 NH1 ARG A 62 16.863 -1.758 -7.176 1.00 0.00 N ATOM 1009 NH2 ARG A 62 17.234 -4.038 -6.951 1.00 0.00 N ATOM 0 H ARG A 62 11.145 -4.365 -10.765 1.00 0.00 H new ATOM 0 HA ARG A 62 10.322 -3.019 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.776 -3.586 -9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.630 -1.841 -9.621 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.950 -2.259 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.692 -3.829 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.338 -1.574 -8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.052 -1.508 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 62 14.755 -4.206 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.222 -0.977 -7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.862 -1.585 -7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.876 -4.992 -6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.233 -3.865 -6.842 1.00 0.00 H new ATOM 1023 N SER A 63 10.351 -1.562 -11.291 1.00 0.00 N ATOM 1024 CA SER A 63 9.880 -0.410 -12.041 1.00 0.00 C ATOM 1025 C SER A 63 8.505 0.022 -11.527 1.00 0.00 C ATOM 1026 O SER A 63 8.358 1.115 -10.982 1.00 0.00 O ATOM 1027 CB SER A 63 9.814 -0.717 -13.538 1.00 0.00 C ATOM 1028 OG SER A 63 11.027 -0.377 -14.206 1.00 0.00 O ATOM 0 H SER A 63 10.771 -2.298 -11.859 1.00 0.00 H new ATOM 0 HA SER A 63 10.588 0.406 -11.896 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.605 -1.777 -13.682 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.987 -0.166 -13.985 1.00 0.00 H new ATOM 0 HG SER A 63 10.946 -0.589 -15.159 1.00 0.00 H new ATOM 1034 N GLU A 64 7.533 -0.858 -11.719 1.00 0.00 N ATOM 1035 CA GLU A 64 6.176 -0.580 -11.282 1.00 0.00 C ATOM 1036 C GLU A 64 6.160 -0.221 -9.794 1.00 0.00 C ATOM 1037 O GLU A 64 5.383 0.631 -9.366 1.00 0.00 O ATOM 1038 CB GLU A 64 5.254 -1.767 -11.569 1.00 0.00 C ATOM 1039 CG GLU A 64 5.102 -1.991 -13.075 1.00 0.00 C ATOM 1040 CD GLU A 64 4.397 -3.318 -13.363 1.00 0.00 C ATOM 1041 OE1 GLU A 64 4.792 -4.320 -12.729 1.00 0.00 O ATOM 1042 OE2 GLU A 64 3.479 -3.301 -14.212 1.00 0.00 O ATOM 0 H GLU A 64 7.659 -1.764 -12.171 1.00 0.00 H new ATOM 0 HA GLU A 64 5.801 0.274 -11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.657 -2.666 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.275 -1.588 -11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.534 -1.170 -13.513 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.084 -1.987 -13.548 1.00 0.00 H new ATOM 1049 N ALA A 65 7.026 -0.890 -9.048 1.00 0.00 N ATOM 1050 CA ALA A 65 7.121 -0.652 -7.618 1.00 0.00 C ATOM 1051 C ALA A 65 7.584 0.786 -7.374 1.00 0.00 C ATOM 1052 O ALA A 65 6.812 1.619 -6.900 1.00 0.00 O ATOM 1053 CB ALA A 65 8.063 -1.681 -6.990 1.00 0.00 C ATOM 0 H ALA A 65 7.668 -1.597 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 65 6.146 -0.770 -7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.134 -1.502 -5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.675 -2.684 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.052 -1.591 -7.439 1.00 0.00 H new ATOM 1059 N THR A 66 8.842 1.034 -7.708 1.00 0.00 N ATOM 1060 CA THR A 66 9.416 2.357 -7.532 1.00 0.00 C ATOM 1061 C THR A 66 8.484 3.424 -8.108 1.00 0.00 C ATOM 1062 O THR A 66 8.530 4.582 -7.695 1.00 0.00 O ATOM 1063 CB THR A 66 10.807 2.357 -8.169 1.00 0.00 C ATOM 1064 OG1 THR A 66 11.529 3.336 -7.427 1.00 0.00 O ATOM 1065 CG2 THR A 66 10.797 2.905 -9.597 1.00 0.00 C ATOM 0 H THR A 66 9.480 0.341 -8.100 1.00 0.00 H new ATOM 0 HA THR A 66 9.526 2.603 -6.476 1.00 0.00 H new ATOM 0 HB THR A 66 11.204 1.342 -8.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.444 3.400 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.809 2.883 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.144 2.291 -10.218 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.431 3.932 -9.590 1.00 0.00 H new ATOM 1073 N LYS A 67 7.660 2.997 -9.052 1.00 0.00 N ATOM 1074 CA LYS A 67 6.718 3.902 -9.689 1.00 0.00 C ATOM 1075 C LYS A 67 5.452 3.997 -8.836 1.00 0.00 C ATOM 1076 O LYS A 67 4.857 5.067 -8.718 1.00 0.00 O ATOM 1077 CB LYS A 67 6.455 3.472 -11.134 1.00 0.00 C ATOM 1078 CG LYS A 67 5.488 4.435 -11.825 1.00 0.00 C ATOM 1079 CD LYS A 67 5.371 4.117 -13.317 1.00 0.00 C ATOM 1080 CE LYS A 67 3.912 3.885 -13.716 1.00 0.00 C ATOM 1081 NZ LYS A 67 3.395 5.038 -14.486 1.00 0.00 N ATOM 0 H LYS A 67 7.624 2.036 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 67 7.137 4.906 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.395 3.438 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.041 2.464 -11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.506 4.368 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.834 5.460 -11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.785 4.939 -13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.961 3.231 -13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.832 2.977 -14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.304 3.734 -12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.404 4.864 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.453 5.898 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.964 5.164 -15.347 1.00 0.00 H new ATOM 1095 N ALA A 68 5.076 2.863 -8.263 1.00 0.00 N ATOM 1096 CA ALA A 68 3.891 2.805 -7.423 1.00 0.00 C ATOM 1097 C ALA A 68 4.097 3.695 -6.196 1.00 0.00 C ATOM 1098 O ALA A 68 3.147 4.291 -5.691 1.00 0.00 O ATOM 1099 CB ALA A 68 3.603 1.350 -7.047 1.00 0.00 C ATOM 0 H ALA A 68 5.571 1.977 -8.364 1.00 0.00 H new ATOM 0 HA ALA A 68 3.020 3.181 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.715 1.306 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.435 0.767 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.454 0.939 -6.503 1.00 0.00 H new ATOM 1105 N GLU A 69 5.344 3.756 -5.751 1.00 0.00 N ATOM 1106 CA GLU A 69 5.686 4.563 -4.593 1.00 0.00 C ATOM 1107 C GLU A 69 5.841 6.031 -4.995 1.00 0.00 C ATOM 1108 O GLU A 69 5.432 6.927 -4.258 1.00 0.00 O ATOM 1109 CB GLU A 69 6.957 4.043 -3.918 1.00 0.00 C ATOM 1110 CG GLU A 69 8.169 4.198 -4.839 1.00 0.00 C ATOM 1111 CD GLU A 69 9.437 3.661 -4.172 1.00 0.00 C ATOM 1112 OE1 GLU A 69 9.555 2.419 -4.094 1.00 0.00 O ATOM 1113 OE2 GLU A 69 10.259 4.504 -3.754 1.00 0.00 O ATOM 0 H GLU A 69 6.129 3.260 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 69 4.873 4.488 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.129 4.588 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.829 2.994 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.991 3.665 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.305 5.249 -5.093 1.00 0.00 H new ATOM 1120 N ALA A 70 6.432 6.232 -6.164 1.00 0.00 N ATOM 1121 CA ALA A 70 6.645 7.576 -6.673 1.00 0.00 C ATOM 1122 C ALA A 70 5.309 8.321 -6.710 1.00 0.00 C ATOM 1123 O ALA A 70 5.140 9.334 -6.033 1.00 0.00 O ATOM 1124 CB ALA A 70 7.309 7.501 -8.050 1.00 0.00 C ATOM 0 H ALA A 70 6.770 5.487 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 70 7.315 8.133 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.469 8.509 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.267 6.989 -7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.664 6.951 -8.735 1.00 0.00 H new ATOM 1130 N ALA A 71 4.394 7.791 -7.508 1.00 0.00 N ATOM 1131 CA ALA A 71 3.078 8.393 -7.642 1.00 0.00 C ATOM 1132 C ALA A 71 2.424 8.491 -6.262 1.00 0.00 C ATOM 1133 O ALA A 71 1.825 9.512 -5.927 1.00 0.00 O ATOM 1134 CB ALA A 71 2.241 7.575 -8.627 1.00 0.00 C ATOM 0 H ALA A 71 4.538 6.951 -8.069 1.00 0.00 H new ATOM 0 HA ALA A 71 3.157 9.404 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.254 8.026 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.734 7.560 -9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.138 6.555 -8.257 1.00 0.00 H new ATOM 1140 N PHE A 72 2.562 7.417 -5.500 1.00 0.00 N ATOM 1141 CA PHE A 72 1.992 7.369 -4.164 1.00 0.00 C ATOM 1142 C PHE A 72 2.661 8.393 -3.245 1.00 0.00 C ATOM 1143 O PHE A 72 2.198 8.629 -2.131 1.00 0.00 O ATOM 1144 CB PHE A 72 2.251 5.964 -3.616 1.00 0.00 C ATOM 1145 CG PHE A 72 2.188 5.870 -2.091 1.00 0.00 C ATOM 1146 CD1 PHE A 72 3.253 6.259 -1.341 1.00 0.00 C ATOM 1147 CD2 PHE A 72 1.066 5.395 -1.485 1.00 0.00 C ATOM 1148 CE1 PHE A 72 3.194 6.171 0.076 1.00 0.00 C ATOM 1149 CE2 PHE A 72 1.008 5.307 -0.069 1.00 0.00 C ATOM 1150 CZ PHE A 72 2.073 5.697 0.682 1.00 0.00 C ATOM 0 H PHE A 72 3.060 6.573 -5.782 1.00 0.00 H new ATOM 0 HA PHE A 72 0.927 7.599 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.519 5.278 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.233 5.630 -3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.144 6.635 -1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.220 5.085 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.040 6.481 0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.118 4.930 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.028 5.630 1.759 1.00 0.00 H new ATOM 1160 N LYS A 73 3.741 8.974 -3.747 1.00 0.00 N ATOM 1161 CA LYS A 73 4.480 9.967 -2.986 1.00 0.00 C ATOM 1162 C LYS A 73 3.891 11.353 -3.257 1.00 0.00 C ATOM 1163 O LYS A 73 3.992 12.249 -2.421 1.00 0.00 O ATOM 1164 CB LYS A 73 5.977 9.866 -3.283 1.00 0.00 C ATOM 1165 CG LYS A 73 6.794 9.864 -1.990 1.00 0.00 C ATOM 1166 CD LYS A 73 7.970 10.838 -2.083 1.00 0.00 C ATOM 1167 CE LYS A 73 7.845 11.950 -1.039 1.00 0.00 C ATOM 1168 NZ LYS A 73 7.158 13.127 -1.616 1.00 0.00 N ATOM 0 H LYS A 73 4.122 8.776 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 73 4.378 9.780 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.179 8.955 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.284 10.703 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.155 10.139 -1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.165 8.858 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.906 10.299 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.008 11.274 -3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.290 11.585 -0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.835 12.237 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.141 13.897 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.666 13.443 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.183 12.870 -1.871 1.00 0.00 H new ATOM 1182 N LYS A 74 3.288 11.485 -4.430 1.00 0.00 N ATOM 1183 CA LYS A 74 2.683 12.747 -4.822 1.00 0.00 C ATOM 1184 C LYS A 74 1.195 12.724 -4.471 1.00 0.00 C ATOM 1185 O LYS A 74 0.687 13.654 -3.846 1.00 0.00 O ATOM 1186 CB LYS A 74 2.963 13.039 -6.298 1.00 0.00 C ATOM 1187 CG LYS A 74 4.296 13.770 -6.470 1.00 0.00 C ATOM 1188 CD LYS A 74 5.337 12.864 -7.129 1.00 0.00 C ATOM 1189 CE LYS A 74 6.750 13.414 -6.926 1.00 0.00 C ATOM 1190 NZ LYS A 74 6.994 14.562 -7.827 1.00 0.00 N ATOM 0 H LYS A 74 3.206 10.739 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 74 3.129 13.573 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.981 12.105 -6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.156 13.644 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.149 14.663 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.661 14.102 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.270 11.861 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.126 12.777 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.880 13.724 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.483 12.630 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.958 14.923 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.890 14.256 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.306 15.315 -7.624 1.00 0.00 H new ATOM 1204 N LEU A 75 0.537 11.652 -4.887 1.00 0.00 N ATOM 1205 CA LEU A 75 -0.884 11.497 -4.624 1.00 0.00 C ATOM 1206 C LEU A 75 -1.138 11.634 -3.122 1.00 0.00 C ATOM 1207 O LEU A 75 -0.205 11.567 -2.322 1.00 0.00 O ATOM 1208 CB LEU A 75 -1.398 10.184 -5.218 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.116 9.964 -6.705 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.410 8.518 -7.111 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -1.887 10.969 -7.564 1.00 0.00 C ATOM 0 H LEU A 75 0.961 10.882 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.451 12.287 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.957 9.358 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.476 10.135 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.054 10.138 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.201 8.389 -8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.780 7.842 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.458 8.292 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.669 10.791 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.957 10.851 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.586 11.982 -7.298 1.00 0.00 H new ATOM 1223 N THR A 76 -2.405 11.823 -2.783 1.00 0.00 N ATOM 1224 CA THR A 76 -2.793 11.970 -1.391 1.00 0.00 C ATOM 1225 C THR A 76 -3.750 10.848 -0.983 1.00 0.00 C ATOM 1226 O THR A 76 -3.972 9.908 -1.745 1.00 0.00 O ATOM 1227 CB THR A 76 -3.385 13.369 -1.210 1.00 0.00 C ATOM 1228 OG1 THR A 76 -3.749 13.417 0.167 1.00 0.00 O ATOM 1229 CG2 THR A 76 -4.711 13.545 -1.953 1.00 0.00 C ATOM 0 H THR A 76 -3.176 11.878 -3.449 1.00 0.00 H new ATOM 0 HA THR A 76 -1.932 11.878 -0.729 1.00 0.00 H new ATOM 0 HB THR A 76 -2.671 14.113 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.140 14.292 0.372 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.087 14.555 -1.791 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.555 13.382 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.437 12.823 -1.578 1.00 0.00 H new ATOM 1237 N ARG A 77 -4.292 10.984 0.219 1.00 0.00 N ATOM 1238 CA ARG A 77 -5.221 9.994 0.737 1.00 0.00 C ATOM 1239 C ARG A 77 -6.431 9.865 -0.190 1.00 0.00 C ATOM 1240 O ARG A 77 -7.210 8.920 -0.071 1.00 0.00 O ATOM 1241 CB ARG A 77 -5.700 10.370 2.141 1.00 0.00 C ATOM 1242 CG ARG A 77 -6.475 11.689 2.121 1.00 0.00 C ATOM 1243 CD ARG A 77 -6.244 12.480 3.410 1.00 0.00 C ATOM 1244 NE ARG A 77 -6.449 13.924 3.162 1.00 0.00 N ATOM 1245 CZ ARG A 77 -7.651 14.495 3.002 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -8.762 13.748 3.065 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -7.742 15.814 2.781 1.00 0.00 N ATOM 0 H ARG A 77 -4.105 11.765 0.849 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.695 9.041 0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.335 9.577 2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.844 10.457 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.163 12.285 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.539 11.488 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.928 12.135 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.232 12.306 3.777 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.624 14.522 3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.693 12.745 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.677 14.183 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.897 16.383 2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.657 16.249 2.659 1.00 0.00 H new ATOM 1261 N LYS A 78 -6.551 10.827 -1.092 1.00 0.00 N ATOM 1262 CA LYS A 78 -7.653 10.833 -2.039 1.00 0.00 C ATOM 1263 C LYS A 78 -7.228 10.104 -3.315 1.00 0.00 C ATOM 1264 O LYS A 78 -7.641 8.970 -3.553 1.00 0.00 O ATOM 1265 CB LYS A 78 -8.144 12.262 -2.281 1.00 0.00 C ATOM 1266 CG LYS A 78 -9.669 12.342 -2.187 1.00 0.00 C ATOM 1267 CD LYS A 78 -10.116 12.610 -0.749 1.00 0.00 C ATOM 1268 CE LYS A 78 -11.071 11.520 -0.258 1.00 0.00 C ATOM 1269 NZ LYS A 78 -12.428 11.734 -0.809 1.00 0.00 N ATOM 0 H LYS A 78 -5.903 11.609 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.507 10.292 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.695 12.933 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.819 12.600 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.036 13.134 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.108 11.409 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.244 12.655 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.608 13.581 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.700 10.540 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.109 11.525 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.064 10.986 -0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.786 12.661 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.389 11.706 -1.848 1.00 0.00 H new ATOM 1283 N GLN A 79 -6.407 10.784 -4.101 1.00 0.00 N ATOM 1284 CA GLN A 79 -5.921 10.215 -5.347 1.00 0.00 C ATOM 1285 C GLN A 79 -5.576 8.737 -5.156 1.00 0.00 C ATOM 1286 O GLN A 79 -5.827 7.918 -6.039 1.00 0.00 O ATOM 1287 CB GLN A 79 -4.715 10.996 -5.873 1.00 0.00 C ATOM 1288 CG GLN A 79 -5.162 12.225 -6.667 1.00 0.00 C ATOM 1289 CD GLN A 79 -4.348 13.459 -6.273 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -3.193 13.376 -5.890 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -5.014 14.605 -6.388 1.00 0.00 N ATOM 0 H GLN A 79 -6.066 11.724 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 79 -6.713 10.290 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.086 11.307 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.107 10.350 -6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.047 12.035 -7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.221 12.412 -6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.980 14.603 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.559 15.486 -6.149 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.005 8.440 -3.998 1.00 0.00 N ATOM 1301 CA LYS A 80 -4.623 7.075 -3.680 1.00 0.00 C ATOM 1302 C LYS A 80 -5.876 6.200 -3.619 1.00 0.00 C ATOM 1303 O LYS A 80 -5.938 5.152 -4.260 1.00 0.00 O ATOM 1304 CB LYS A 80 -3.783 7.037 -2.401 1.00 0.00 C ATOM 1305 CG LYS A 80 -2.323 7.389 -2.693 1.00 0.00 C ATOM 1306 CD LYS A 80 -1.820 8.477 -1.742 1.00 0.00 C ATOM 1307 CE LYS A 80 -0.380 8.200 -1.305 1.00 0.00 C ATOM 1308 NZ LYS A 80 -0.351 7.657 0.071 1.00 0.00 N ATOM 0 H LYS A 80 -4.798 9.122 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.986 6.666 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.191 7.738 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.839 6.044 -1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.703 6.498 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.227 7.729 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.874 9.448 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.467 8.527 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.085 7.492 -1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.204 9.119 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.059 8.404 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.299 7.316 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.326 6.869 0.119 1.00 0.00 H new ATOM 1322 N GLU A 81 -6.844 6.662 -2.841 1.00 0.00 N ATOM 1323 CA GLU A 81 -8.093 5.935 -2.688 1.00 0.00 C ATOM 1324 C GLU A 81 -8.639 5.523 -4.056 1.00 0.00 C ATOM 1325 O GLU A 81 -8.880 4.342 -4.303 1.00 0.00 O ATOM 1326 CB GLU A 81 -9.120 6.765 -1.915 1.00 0.00 C ATOM 1327 CG GLU A 81 -10.386 5.952 -1.638 1.00 0.00 C ATOM 1328 CD GLU A 81 -10.474 5.560 -0.162 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -10.268 6.463 0.678 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -10.746 4.367 0.094 1.00 0.00 O ATOM 0 H GLU A 81 -6.789 7.531 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.896 5.032 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.686 7.101 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.375 7.658 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.264 6.534 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.389 5.055 -2.257 1.00 0.00 H new ATOM 1337 N GLN A 82 -8.817 6.519 -4.911 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.330 6.276 -6.249 1.00 0.00 C ATOM 1339 C GLN A 82 -8.299 5.509 -7.081 1.00 0.00 C ATOM 1340 O GLN A 82 -8.621 4.488 -7.686 1.00 0.00 O ATOM 1341 CB GLN A 82 -9.722 7.587 -6.933 1.00 0.00 C ATOM 1342 CG GLN A 82 -10.918 7.382 -7.865 1.00 0.00 C ATOM 1343 CD GLN A 82 -12.205 7.913 -7.230 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -12.549 9.078 -7.344 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -12.894 6.996 -6.557 1.00 0.00 N ATOM 0 H GLN A 82 -8.615 7.497 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.229 5.665 -6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.967 8.335 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.875 7.972 -7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.738 7.892 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.030 6.322 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.549 6.038 -6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.768 7.251 -6.097 1.00 0.00 H new ATOM 1354 N TYR A 83 -7.082 6.032 -7.084 1.00 0.00 N ATOM 1355 CA TYR A 83 -6.003 5.410 -7.832 1.00 0.00 C ATOM 1356 C TYR A 83 -6.100 3.884 -7.769 1.00 0.00 C ATOM 1357 O TYR A 83 -5.862 3.202 -8.765 1.00 0.00 O ATOM 1358 CB TYR A 83 -4.707 5.855 -7.151 1.00 0.00 C ATOM 1359 CG TYR A 83 -3.497 4.979 -7.483 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -3.322 4.501 -8.766 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -2.581 4.666 -6.499 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -2.183 3.677 -9.079 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -1.442 3.841 -6.812 1.00 0.00 C ATOM 1364 CZ TYR A 83 -1.300 3.388 -8.086 1.00 0.00 C ATOM 1365 OH TYR A 83 -0.224 2.609 -8.381 1.00 0.00 O ATOM 0 H TYR A 83 -6.819 6.879 -6.581 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.046 5.702 -8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.490 6.883 -7.443 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.857 5.855 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.039 4.745 -9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.718 5.039 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.034 3.297 -10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.718 3.588 -6.052 1.00 0.00 H new ATOM 0 HH TYR A 83 0.321 2.486 -7.576 1.00 0.00 H new ATOM 1375 N LEU A 84 -6.451 3.394 -6.589 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.583 1.962 -6.384 1.00 0.00 C ATOM 1377 C LEU A 84 -8.018 1.536 -6.698 1.00 0.00 C ATOM 1378 O LEU A 84 -8.238 0.558 -7.411 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.121 1.578 -4.976 1.00 0.00 C ATOM 1380 CG LEU A 84 -4.624 1.725 -4.697 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -4.323 3.058 -4.009 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -4.096 0.534 -3.896 1.00 0.00 C ATOM 0 H LEU A 84 -6.648 3.963 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.932 1.417 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.666 2.190 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.404 0.542 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.097 1.729 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.252 3.137 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.641 3.879 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.861 3.109 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.030 0.664 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.624 0.473 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.257 -0.384 -4.460 1.00 0.00 H new ATOM 1394 N LYS A 85 -8.959 2.291 -6.149 1.00 0.00 N ATOM 1395 CA LYS A 85 -10.367 2.004 -6.362 1.00 0.00 C ATOM 1396 C LYS A 85 -10.621 1.795 -7.856 1.00 0.00 C ATOM 1397 O LYS A 85 -11.257 0.819 -8.251 1.00 0.00 O ATOM 1398 CB LYS A 85 -11.237 3.097 -5.738 1.00 0.00 C ATOM 1399 CG LYS A 85 -12.669 2.601 -5.521 1.00 0.00 C ATOM 1400 CD LYS A 85 -13.048 2.652 -4.040 1.00 0.00 C ATOM 1401 CE LYS A 85 -12.950 1.265 -3.401 1.00 0.00 C ATOM 1402 NZ LYS A 85 -14.228 0.903 -2.749 1.00 0.00 N ATOM 0 H LYS A 85 -8.773 3.101 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.647 1.079 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.808 3.409 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.246 3.974 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.361 3.214 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.764 1.580 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.390 3.345 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.063 3.034 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.700 0.525 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.144 1.252 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.144 -0.041 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.450 1.600 -2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.989 0.895 -3.458 1.00 0.00 H new ATOM 1416 N THR A 86 -10.110 2.727 -8.647 1.00 0.00 N ATOM 1417 CA THR A 86 -10.273 2.658 -10.089 1.00 0.00 C ATOM 1418 C THR A 86 -9.862 1.278 -10.606 1.00 0.00 C ATOM 1419 O THR A 86 -10.408 0.794 -11.596 1.00 0.00 O ATOM 1420 CB THR A 86 -9.472 3.803 -10.711 1.00 0.00 C ATOM 1421 OG1 THR A 86 -9.686 3.655 -12.112 1.00 0.00 O ATOM 1422 CG2 THR A 86 -7.962 3.621 -10.543 1.00 0.00 C ATOM 0 H THR A 86 -9.582 3.535 -8.316 1.00 0.00 H new ATOM 0 HA THR A 86 -11.318 2.780 -10.375 1.00 0.00 H new ATOM 0 HB THR A 86 -9.776 4.746 -10.258 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.203 4.359 -12.593 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.441 4.461 -11.002 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.717 3.578 -9.482 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.651 2.694 -11.025 1.00 0.00 H new ATOM 1430 N PHE A 87 -8.902 0.683 -9.913 1.00 0.00 N ATOM 1431 CA PHE A 87 -8.411 -0.631 -10.289 1.00 0.00 C ATOM 1432 C PHE A 87 -9.215 -1.735 -9.600 1.00 0.00 C ATOM 1433 O PHE A 87 -9.502 -2.768 -10.202 1.00 0.00 O ATOM 1434 CB PHE A 87 -6.954 -0.714 -9.828 1.00 0.00 C ATOM 1435 CG PHE A 87 -6.239 -1.998 -10.253 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -6.415 -3.142 -9.540 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -5.427 -1.995 -11.345 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -5.751 -4.334 -9.935 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -4.764 -3.186 -11.739 1.00 0.00 C ATOM 1440 CZ PHE A 87 -4.939 -4.331 -11.026 1.00 0.00 C ATOM 0 H PHE A 87 -8.451 1.088 -9.092 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.505 -0.768 -11.366 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.409 0.142 -10.225 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.922 -0.635 -8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.060 -3.145 -8.673 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.287 -1.086 -11.912 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.891 -5.243 -9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.120 -3.183 -12.606 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.434 -5.237 -11.326 1.00 0.00 H new ATOM 1450 N HIS A 88 -9.556 -1.479 -8.345 1.00 0.00 N ATOM 1451 CA HIS A 88 -10.322 -2.438 -7.567 1.00 0.00 C ATOM 1452 C HIS A 88 -11.666 -2.697 -8.250 1.00 0.00 C ATOM 1453 O HIS A 88 -12.064 -3.846 -8.431 1.00 0.00 O ATOM 1454 CB HIS A 88 -10.473 -1.966 -6.120 1.00 0.00 C ATOM 1455 CG HIS A 88 -11.496 -2.741 -5.325 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -12.812 -2.331 -5.193 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -11.384 -3.905 -4.622 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -13.453 -3.215 -4.443 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -12.566 -4.189 -4.090 1.00 0.00 N ATOM 0 H HIS A 88 -9.316 -0.621 -7.848 1.00 0.00 H new ATOM 0 HA HIS A 88 -9.787 -3.387 -7.524 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.507 -2.042 -5.621 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.750 -0.912 -6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.486 -4.495 -4.516 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -14.495 -3.172 -4.161 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.777 -5.002 -3.512 1.00 0.00 H new ATOM 1467 N LEU A 89 -12.329 -1.608 -8.611 1.00 0.00 N ATOM 1468 CA LEU A 89 -13.621 -1.702 -9.270 1.00 0.00 C ATOM 1469 C LEU A 89 -13.565 -2.797 -10.337 1.00 0.00 C ATOM 1470 O LEU A 89 -14.292 -3.787 -10.255 1.00 0.00 O ATOM 1471 CB LEU A 89 -14.047 -0.336 -9.813 1.00 0.00 C ATOM 1472 CG LEU A 89 -14.195 0.780 -8.777 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -13.912 2.148 -9.400 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -15.571 0.729 -8.109 1.00 0.00 C ATOM 0 H LEU A 89 -11.996 -0.656 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.393 -1.990 -8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.317 -0.019 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.999 -0.453 -10.330 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.451 0.621 -7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.024 2.923 -8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.894 2.167 -9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.615 2.330 -10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.650 1.533 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.347 0.849 -8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.697 -0.231 -7.609 1.00 0.00 H new ATOM 1486 N GLU A 90 -12.696 -2.584 -11.314 1.00 0.00 N ATOM 1487 CA GLU A 90 -12.536 -3.540 -12.396 1.00 0.00 C ATOM 1488 C GLU A 90 -11.662 -4.712 -11.944 1.00 0.00 C ATOM 1489 O GLU A 90 -11.222 -4.756 -10.796 1.00 0.00 O ATOM 1490 CB GLU A 90 -11.952 -2.868 -13.640 1.00 0.00 C ATOM 1491 CG GLU A 90 -13.055 -2.506 -14.637 1.00 0.00 C ATOM 1492 CD GLU A 90 -12.471 -2.215 -16.020 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -11.914 -1.107 -16.180 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -12.593 -3.108 -16.887 1.00 0.00 O ATOM 0 H GLU A 90 -12.095 -1.763 -11.379 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.520 -3.927 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.409 -1.968 -13.351 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.233 -3.536 -14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.771 -3.325 -14.706 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.602 -1.634 -14.279 1.00 0.00 H new ATOM 1501 N HIS A 91 -11.437 -5.632 -12.870 1.00 0.00 N ATOM 1502 CA HIS A 91 -10.623 -6.801 -12.581 1.00 0.00 C ATOM 1503 C HIS A 91 -10.031 -7.348 -13.881 1.00 0.00 C ATOM 1504 O HIS A 91 -10.622 -8.220 -14.518 1.00 0.00 O ATOM 1505 CB HIS A 91 -11.430 -7.847 -11.810 1.00 0.00 C ATOM 1506 CG HIS A 91 -12.598 -8.414 -12.582 1.00 0.00 C ATOM 1507 ND1 HIS A 91 -13.320 -9.512 -12.149 1.00 0.00 N ATOM 1508 CD2 HIS A 91 -13.160 -8.023 -13.761 1.00 0.00 C ATOM 1509 CE1 HIS A 91 -14.272 -9.762 -13.036 1.00 0.00 C ATOM 1510 NE2 HIS A 91 -14.171 -8.838 -14.034 1.00 0.00 N ATOM 0 H HIS A 91 -11.804 -5.592 -13.821 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.792 -6.520 -11.935 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.767 -8.663 -11.523 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.800 -7.398 -10.888 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.837 -7.191 -14.369 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.000 -10.558 -12.979 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.773 -8.783 -14.855 1.00 0.00 H new ATOM 1518 N HIS A 92 -8.872 -6.815 -14.237 1.00 0.00 N ATOM 1519 CA HIS A 92 -8.194 -7.239 -15.450 1.00 0.00 C ATOM 1520 C HIS A 92 -6.692 -7.359 -15.183 1.00 0.00 C ATOM 1521 O HIS A 92 -6.009 -6.354 -14.995 1.00 0.00 O ATOM 1522 CB HIS A 92 -8.516 -6.296 -16.611 1.00 0.00 C ATOM 1523 CG HIS A 92 -9.760 -6.671 -17.380 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -10.064 -7.976 -17.723 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -10.773 -5.898 -17.867 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -11.211 -7.978 -18.388 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -11.648 -6.689 -18.476 1.00 0.00 N ATOM 0 H HIS A 92 -8.385 -6.093 -13.706 1.00 0.00 H new ATOM 0 HA HIS A 92 -8.555 -8.224 -15.747 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.633 -5.284 -16.222 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -7.669 -6.278 -17.297 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -10.850 -4.825 -17.773 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.711 -8.847 -18.789 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.506 -6.383 -18.934 1.00 0.00 H new ATOM 1535 N HIS A 93 -6.223 -8.598 -15.175 1.00 0.00 N ATOM 1536 CA HIS A 93 -4.814 -8.863 -14.934 1.00 0.00 C ATOM 1537 C HIS A 93 -4.543 -10.362 -15.075 1.00 0.00 C ATOM 1538 O HIS A 93 -5.340 -11.186 -14.630 1.00 0.00 O ATOM 1539 CB HIS A 93 -4.382 -8.308 -13.576 1.00 0.00 C ATOM 1540 CG HIS A 93 -3.390 -7.172 -13.664 1.00 0.00 C ATOM 1541 ND1 HIS A 93 -2.042 -7.371 -13.904 1.00 0.00 N ATOM 1542 CD2 HIS A 93 -3.566 -5.825 -13.543 1.00 0.00 C ATOM 1543 CE1 HIS A 93 -1.442 -6.190 -13.924 1.00 0.00 C ATOM 1544 NE2 HIS A 93 -2.388 -5.233 -13.700 1.00 0.00 N ATOM 0 H HIS A 93 -6.793 -9.429 -15.331 1.00 0.00 H new ATOM 0 HA HIS A 93 -4.210 -8.348 -15.681 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -5.265 -7.965 -13.038 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.944 -9.115 -12.988 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.504 -5.325 -13.352 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.389 -6.016 -14.089 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.218 -4.228 -13.660 1.00 0.00 H new ATOM 1552 N HIS A 94 -3.414 -10.670 -15.697 1.00 0.00 N ATOM 1553 CA HIS A 94 -3.027 -12.056 -15.903 1.00 0.00 C ATOM 1554 C HIS A 94 -4.063 -12.752 -16.787 1.00 0.00 C ATOM 1555 O HIS A 94 -5.257 -12.724 -16.492 1.00 0.00 O ATOM 1556 CB HIS A 94 -2.818 -12.766 -14.564 1.00 0.00 C ATOM 1557 CG HIS A 94 -1.790 -13.871 -14.609 1.00 0.00 C ATOM 1558 ND1 HIS A 94 -1.195 -14.388 -13.471 1.00 0.00 N ATOM 1559 CD2 HIS A 94 -1.260 -14.552 -15.664 1.00 0.00 C ATOM 1560 CE1 HIS A 94 -0.346 -15.336 -13.838 1.00 0.00 C ATOM 1561 NE2 HIS A 94 -0.387 -15.436 -15.198 1.00 0.00 N ATOM 0 H HIS A 94 -2.755 -9.984 -16.065 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.070 -12.097 -16.423 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.514 -12.031 -13.818 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -3.769 -13.182 -14.233 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.509 -14.398 -16.704 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.271 -15.926 -13.177 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.163 -16.083 -15.763 1.00 0.00 H new ATOM 1569 N HIS A 95 -3.569 -13.360 -17.856 1.00 0.00 N ATOM 1570 CA HIS A 95 -4.437 -14.062 -18.786 1.00 0.00 C ATOM 1571 C HIS A 95 -5.489 -13.097 -19.334 1.00 0.00 C ATOM 1572 O HIS A 95 -5.564 -11.946 -18.906 1.00 0.00 O ATOM 1573 CB HIS A 95 -5.052 -15.299 -18.127 1.00 0.00 C ATOM 1574 CG HIS A 95 -4.361 -16.593 -18.484 1.00 0.00 C ATOM 1575 ND1 HIS A 95 -5.004 -17.631 -19.135 1.00 0.00 N ATOM 1576 CD2 HIS A 95 -3.077 -17.005 -18.276 1.00 0.00 C ATOM 1577 CE1 HIS A 95 -4.137 -18.619 -19.304 1.00 0.00 C ATOM 1578 NE2 HIS A 95 -2.944 -18.229 -18.771 1.00 0.00 N ATOM 0 H HIS A 95 -2.578 -13.381 -18.099 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.853 -14.425 -19.631 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.026 -15.172 -17.045 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.101 -15.368 -18.415 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.301 -16.432 -17.791 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.340 -19.567 -19.780 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.090 -18.786 -18.755 1.00 0.00 H new ATOM 1586 N HIS A 96 -6.276 -13.602 -20.273 1.00 0.00 N ATOM 1587 CA HIS A 96 -7.322 -12.799 -20.884 1.00 0.00 C ATOM 1588 C HIS A 96 -8.222 -13.692 -21.740 1.00 0.00 C ATOM 1589 O HIS A 96 -7.741 -14.609 -22.405 1.00 0.00 O ATOM 1590 CB HIS A 96 -6.720 -11.634 -21.674 1.00 0.00 C ATOM 1591 CG HIS A 96 -7.560 -10.379 -21.653 1.00 0.00 C ATOM 1592 ND1 HIS A 96 -7.176 -9.231 -20.983 1.00 0.00 N ATOM 1593 CD2 HIS A 96 -8.767 -10.105 -22.226 1.00 0.00 C ATOM 1594 CE1 HIS A 96 -8.117 -8.313 -21.152 1.00 0.00 C ATOM 1595 NE2 HIS A 96 -9.102 -8.857 -21.922 1.00 0.00 N ATOM 0 H HIS A 96 -6.210 -14.557 -20.625 1.00 0.00 H new ATOM 0 HA HIS A 96 -7.944 -12.354 -20.107 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.734 -11.406 -21.270 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -6.576 -11.946 -22.709 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.351 -10.788 -22.825 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.106 -7.310 -20.750 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.956 -8.383 -22.216 1.00 0.00 H new TER 1603 HIS A 96