USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 645 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 165:sc= -0.637 USER MOD Set 1.3: A 73 HIS : no HD1:sc= -2.63! C(o=-3.3!,f=-3.9!) USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 159:sc= 0.302 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0217 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.884 K(o=0.88,f=-6.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0131 (180deg=-0.158) USER MOD Single : A 29 HIS : no HD1:sc= -0.845 K(o=-0.85,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-6.3!) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -1.16 (180deg=-1.83) USER MOD Single : A 40 ASN : amide:sc= -3.37! K(o=-3.4!,f=-5.2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 60 SER OG : rot -34:sc= -0.434 USER MOD Single : A 63 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -87:sc= 1.29 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.3!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.199 9.552 -9.339 1.00 0.00 N ATOM 2 CA GLY A 1 19.895 8.344 -8.595 1.00 0.00 C ATOM 3 C GLY A 1 18.410 8.181 -8.335 1.00 0.00 C ATOM 4 O GLY A 1 17.582 8.593 -9.147 1.00 0.00 O ATOM 0 H1 GLY A 1 20.786 9.313 -10.164 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.314 9.994 -9.660 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.715 10.216 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.261 7.479 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.427 8.363 -7.644 1.00 0.00 H new ATOM 8 N SER A 2 18.072 7.578 -7.200 1.00 0.00 N ATOM 9 CA SER A 2 16.677 7.356 -6.838 1.00 0.00 C ATOM 10 C SER A 2 15.944 8.683 -6.666 1.00 0.00 C ATOM 11 O SER A 2 16.485 9.636 -6.105 1.00 0.00 O ATOM 12 CB SER A 2 16.587 6.539 -5.547 1.00 0.00 C ATOM 13 OG SER A 2 16.966 5.192 -5.769 1.00 0.00 O ATOM 0 H SER A 2 18.745 7.234 -6.515 1.00 0.00 H new ATOM 0 HA SER A 2 16.201 6.799 -7.645 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.232 6.981 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.568 6.575 -5.161 1.00 0.00 H new ATOM 0 HG SER A 2 16.902 4.691 -4.929 1.00 0.00 H new ATOM 19 N SER A 3 14.708 8.736 -7.152 1.00 0.00 N ATOM 20 CA SER A 3 13.900 9.946 -7.057 1.00 0.00 C ATOM 21 C SER A 3 12.510 9.629 -6.514 1.00 0.00 C ATOM 22 O SER A 3 12.116 8.467 -6.424 1.00 0.00 O ATOM 23 CB SER A 3 13.784 10.617 -8.427 1.00 0.00 C ATOM 24 OG SER A 3 14.919 11.422 -8.698 1.00 0.00 O ATOM 0 H SER A 3 14.244 7.955 -7.616 1.00 0.00 H new ATOM 0 HA SER A 3 14.394 10.630 -6.367 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.681 9.856 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.883 11.230 -8.460 1.00 0.00 H new ATOM 0 HG SER A 3 14.822 11.838 -9.580 1.00 0.00 H new ATOM 30 N GLY A 4 11.770 10.674 -6.153 1.00 0.00 N ATOM 31 CA GLY A 4 10.432 10.487 -5.623 1.00 0.00 C ATOM 32 C GLY A 4 9.363 10.605 -6.692 1.00 0.00 C ATOM 33 O GLY A 4 8.990 9.614 -7.318 1.00 0.00 O ATOM 0 H GLY A 4 12.073 11.646 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.365 9.506 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.246 11.227 -4.844 1.00 0.00 H new ATOM 37 N SER A 5 8.869 11.821 -6.900 1.00 0.00 N ATOM 38 CA SER A 5 7.832 12.065 -7.897 1.00 0.00 C ATOM 39 C SER A 5 6.560 11.296 -7.556 1.00 0.00 C ATOM 40 O SER A 5 5.918 10.716 -8.432 1.00 0.00 O ATOM 41 CB SER A 5 8.328 11.662 -9.287 1.00 0.00 C ATOM 42 OG SER A 5 7.706 12.440 -10.295 1.00 0.00 O ATOM 0 H SER A 5 9.170 12.653 -6.392 1.00 0.00 H new ATOM 0 HA SER A 5 7.603 13.131 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.409 11.788 -9.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.121 10.606 -9.459 1.00 0.00 H new ATOM 0 HG SER A 5 8.041 12.165 -11.174 1.00 0.00 H new ATOM 48 N SER A 6 6.201 11.295 -6.276 1.00 0.00 N ATOM 49 CA SER A 6 5.007 10.595 -5.817 1.00 0.00 C ATOM 50 C SER A 6 3.760 11.445 -6.038 1.00 0.00 C ATOM 51 O SER A 6 3.805 12.671 -5.942 1.00 0.00 O ATOM 52 CB SER A 6 5.138 10.237 -4.335 1.00 0.00 C ATOM 53 OG SER A 6 6.328 9.509 -4.090 1.00 0.00 O ATOM 0 H SER A 6 6.720 11.771 -5.538 1.00 0.00 H new ATOM 0 HA SER A 6 4.908 9.678 -6.398 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.135 11.148 -3.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.276 9.647 -4.022 1.00 0.00 H new ATOM 0 HG SER A 6 6.389 9.294 -3.136 1.00 0.00 H new ATOM 59 N GLY A 7 2.645 10.784 -6.336 1.00 0.00 N ATOM 60 CA GLY A 7 1.400 11.493 -6.566 1.00 0.00 C ATOM 61 C GLY A 7 0.201 10.758 -6.004 1.00 0.00 C ATOM 62 O GLY A 7 -0.333 11.133 -4.960 1.00 0.00 O ATOM 0 H GLY A 7 2.582 9.770 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.460 12.483 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.262 11.640 -7.637 1.00 0.00 H new ATOM 66 N SER A 8 -0.226 9.707 -6.697 1.00 0.00 N ATOM 67 CA SER A 8 -1.374 8.920 -6.264 1.00 0.00 C ATOM 68 C SER A 8 -0.924 7.663 -5.525 1.00 0.00 C ATOM 69 O SER A 8 0.183 7.167 -5.739 1.00 0.00 O ATOM 70 CB SER A 8 -2.240 8.536 -7.465 1.00 0.00 C ATOM 71 OG SER A 8 -2.679 9.687 -8.166 1.00 0.00 O ATOM 0 H SER A 8 0.207 9.381 -7.561 1.00 0.00 H new ATOM 0 HA SER A 8 -1.964 9.531 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.672 7.892 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.102 7.961 -7.127 1.00 0.00 H new ATOM 0 HG SER A 8 -3.229 9.415 -8.930 1.00 0.00 H new ATOM 77 N TYR A 9 -1.789 7.154 -4.655 1.00 0.00 N ATOM 78 CA TYR A 9 -1.480 5.956 -3.883 1.00 0.00 C ATOM 79 C TYR A 9 -0.820 4.897 -4.760 1.00 0.00 C ATOM 80 O TYR A 9 0.292 4.448 -4.481 1.00 0.00 O ATOM 81 CB TYR A 9 -2.753 5.390 -3.250 1.00 0.00 C ATOM 82 CG TYR A 9 -3.491 6.384 -2.382 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.802 7.350 -1.658 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.877 6.356 -2.284 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.473 8.259 -0.863 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.555 7.263 -1.493 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.849 8.212 -0.784 1.00 0.00 C ATOM 88 OH TYR A 9 -5.521 9.116 0.006 1.00 0.00 O ATOM 0 H TYR A 9 -2.709 7.552 -4.467 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.782 6.233 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.420 5.045 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.493 4.518 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.724 7.391 -1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.433 5.613 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.923 9.003 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.633 7.229 -1.430 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.485 8.947 -0.050 1.00 0.00 H new ATOM 98 N TYR A 10 -1.514 4.502 -5.821 1.00 0.00 N ATOM 99 CA TYR A 10 -0.997 3.494 -6.740 1.00 0.00 C ATOM 100 C TYR A 10 0.518 3.607 -6.877 1.00 0.00 C ATOM 101 O TYR A 10 1.217 2.603 -7.014 1.00 0.00 O ATOM 102 CB TYR A 10 -1.657 3.638 -8.112 1.00 0.00 C ATOM 103 CG TYR A 10 -3.151 3.404 -8.093 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.692 2.289 -7.466 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.021 4.300 -8.702 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.056 2.072 -7.447 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.387 4.092 -8.687 1.00 0.00 C ATOM 108 CZ TYR A 10 -5.899 2.976 -8.059 1.00 0.00 C ATOM 109 OH TYR A 10 -7.259 2.763 -8.041 1.00 0.00 O ATOM 0 H TYR A 10 -2.436 4.864 -6.066 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.234 2.511 -6.332 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.459 4.638 -8.498 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.196 2.933 -8.803 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.035 1.580 -6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.623 5.174 -9.196 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.460 1.199 -6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.050 4.799 -9.164 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.711 3.492 -8.515 1.00 0.00 H new ATOM 119 N ASP A 11 1.018 4.837 -6.839 1.00 0.00 N ATOM 120 CA ASP A 11 2.451 5.084 -6.957 1.00 0.00 C ATOM 121 C ASP A 11 3.163 4.791 -5.640 1.00 0.00 C ATOM 122 O ASP A 11 4.160 4.068 -5.610 1.00 0.00 O ATOM 123 CB ASP A 11 2.707 6.531 -7.379 1.00 0.00 C ATOM 124 CG ASP A 11 3.985 6.683 -8.180 1.00 0.00 C ATOM 125 OD1 ASP A 11 4.002 6.261 -9.356 1.00 0.00 O ATOM 126 OD2 ASP A 11 4.968 7.224 -7.633 1.00 0.00 O ATOM 0 H ASP A 11 0.453 5.679 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 11 2.849 4.415 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.865 6.888 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.761 7.161 -6.491 1.00 0.00 H new ATOM 131 N ILE A 12 2.646 5.357 -4.555 1.00 0.00 N ATOM 132 CA ILE A 12 3.233 5.156 -3.236 1.00 0.00 C ATOM 133 C ILE A 12 3.298 3.674 -2.883 1.00 0.00 C ATOM 134 O ILE A 12 4.254 3.215 -2.257 1.00 0.00 O ATOM 135 CB ILE A 12 2.437 5.898 -2.147 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.318 7.384 -2.493 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.099 5.716 -0.789 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.215 8.094 -1.740 1.00 0.00 C ATOM 0 H ILE A 12 1.822 5.958 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 12 4.244 5.562 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 12 1.434 5.474 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.267 7.875 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.140 7.486 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.524 6.247 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.135 4.655 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.113 6.116 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.189 9.143 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.257 7.628 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.402 8.023 -0.669 1.00 0.00 H new ATOM 150 N LEU A 13 2.275 2.930 -3.290 1.00 0.00 N ATOM 151 CA LEU A 13 2.216 1.498 -3.018 1.00 0.00 C ATOM 152 C LEU A 13 2.931 0.707 -4.109 1.00 0.00 C ATOM 153 O LEU A 13 3.538 -0.329 -3.842 1.00 0.00 O ATOM 154 CB LEU A 13 0.761 1.039 -2.910 1.00 0.00 C ATOM 155 CG LEU A 13 -0.014 1.546 -1.693 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.482 1.163 -1.798 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.592 0.999 -0.409 1.00 0.00 C ATOM 0 H LEU A 13 1.476 3.294 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 13 2.720 1.312 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.233 1.356 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.745 -0.051 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 13 0.055 2.634 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.018 1.532 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.910 1.604 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.572 0.078 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.028 1.370 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.554 -0.090 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.629 1.325 -0.329 1.00 0.00 H new ATOM 169 N GLY A 14 2.855 1.204 -5.340 1.00 0.00 N ATOM 170 CA GLY A 14 3.501 0.532 -6.452 1.00 0.00 C ATOM 171 C GLY A 14 2.593 -0.476 -7.127 1.00 0.00 C ATOM 172 O GLY A 14 3.059 -1.482 -7.663 1.00 0.00 O ATOM 0 H GLY A 14 2.358 2.060 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.823 1.274 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.398 0.026 -6.095 1.00 0.00 H new ATOM 176 N VAL A 15 1.291 -0.210 -7.099 1.00 0.00 N ATOM 177 CA VAL A 15 0.314 -1.102 -7.712 1.00 0.00 C ATOM 178 C VAL A 15 -0.394 -0.424 -8.879 1.00 0.00 C ATOM 179 O VAL A 15 -0.489 0.801 -8.952 1.00 0.00 O ATOM 180 CB VAL A 15 -0.738 -1.570 -6.689 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.180 -2.689 -5.822 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.204 -0.402 -5.832 1.00 0.00 C ATOM 0 H VAL A 15 0.888 0.617 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 15 0.864 -1.969 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.599 -1.959 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.938 -3.006 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.099 -3.533 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.699 -2.330 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.947 -0.751 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.353 0.019 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.646 0.363 -6.470 1.00 0.00 H new ATOM 192 N PRO A 16 -0.905 -1.238 -9.815 1.00 0.00 N ATOM 193 CA PRO A 16 -1.615 -0.738 -10.996 1.00 0.00 C ATOM 194 C PRO A 16 -2.969 -0.132 -10.644 1.00 0.00 C ATOM 195 O PRO A 16 -3.474 -0.313 -9.536 1.00 0.00 O ATOM 196 CB PRO A 16 -1.797 -1.991 -11.856 1.00 0.00 C ATOM 197 CG PRO A 16 -1.771 -3.123 -10.888 1.00 0.00 C ATOM 198 CD PRO A 16 -0.829 -2.708 -9.791 1.00 0.00 C ATOM 0 HA PRO A 16 -1.067 0.062 -11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.738 -1.961 -12.405 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.001 -2.083 -12.594 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.767 -3.321 -10.493 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.430 -4.040 -11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.134 -3.111 -8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.185 -3.061 -9.977 1.00 0.00 H new ATOM 206 N LYS A 17 -3.554 0.589 -11.595 1.00 0.00 N ATOM 207 CA LYS A 17 -4.851 1.222 -11.388 1.00 0.00 C ATOM 208 C LYS A 17 -5.950 0.175 -11.244 1.00 0.00 C ATOM 209 O LYS A 17 -7.010 0.447 -10.679 1.00 0.00 O ATOM 210 CB LYS A 17 -5.175 2.161 -12.552 1.00 0.00 C ATOM 211 CG LYS A 17 -4.120 3.228 -12.785 1.00 0.00 C ATOM 212 CD LYS A 17 -3.797 3.982 -11.506 1.00 0.00 C ATOM 213 CE LYS A 17 -2.787 5.092 -11.753 1.00 0.00 C ATOM 214 NZ LYS A 17 -3.416 6.281 -12.391 1.00 0.00 N ATOM 0 H LYS A 17 -3.150 0.749 -12.518 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.802 1.801 -10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.291 1.572 -13.462 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.133 2.645 -12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.213 2.765 -13.174 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.471 3.929 -13.543 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.712 4.406 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.403 3.288 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.331 5.386 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.986 4.719 -12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.695 7.015 -12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.829 6.007 -13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.164 6.653 -11.771 1.00 0.00 H new ATOM 228 N SER A 18 -5.690 -1.024 -11.756 1.00 0.00 N ATOM 229 CA SER A 18 -6.659 -2.112 -11.686 1.00 0.00 C ATOM 230 C SER A 18 -6.189 -3.197 -10.722 1.00 0.00 C ATOM 231 O SER A 18 -6.679 -4.325 -10.754 1.00 0.00 O ATOM 232 CB SER A 18 -6.886 -2.711 -13.076 1.00 0.00 C ATOM 233 OG SER A 18 -7.759 -1.901 -13.844 1.00 0.00 O ATOM 0 H SER A 18 -4.817 -1.267 -12.224 1.00 0.00 H new ATOM 0 HA SER A 18 -7.600 -1.705 -11.316 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.931 -2.813 -13.592 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.305 -3.713 -12.980 1.00 0.00 H new ATOM 0 HG SER A 18 -7.886 -2.304 -14.728 1.00 0.00 H new ATOM 239 N ALA A 19 -5.236 -2.846 -9.866 1.00 0.00 N ATOM 240 CA ALA A 19 -4.700 -3.788 -8.891 1.00 0.00 C ATOM 241 C ALA A 19 -5.813 -4.388 -8.038 1.00 0.00 C ATOM 242 O ALA A 19 -6.672 -3.669 -7.527 1.00 0.00 O ATOM 243 CB ALA A 19 -3.667 -3.103 -8.008 1.00 0.00 C ATOM 0 H ALA A 19 -4.819 -1.916 -9.828 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.217 -4.600 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.275 -3.818 -7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.851 -2.728 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.134 -2.272 -7.480 1.00 0.00 H new ATOM 249 N SER A 20 -5.791 -5.708 -7.889 1.00 0.00 N ATOM 250 CA SER A 20 -6.802 -6.405 -7.102 1.00 0.00 C ATOM 251 C SER A 20 -6.515 -6.272 -5.609 1.00 0.00 C ATOM 252 O SER A 20 -5.361 -6.158 -5.196 1.00 0.00 O ATOM 253 CB SER A 20 -6.853 -7.883 -7.493 1.00 0.00 C ATOM 254 OG SER A 20 -7.928 -8.544 -6.848 1.00 0.00 O ATOM 0 H SER A 20 -5.085 -6.317 -8.303 1.00 0.00 H new ATOM 0 HA SER A 20 -7.769 -5.947 -7.311 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.962 -7.973 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.913 -8.366 -7.227 1.00 0.00 H new ATOM 0 HG SER A 20 -7.940 -9.487 -7.116 1.00 0.00 H new ATOM 260 N GLU A 21 -7.574 -6.286 -4.806 1.00 0.00 N ATOM 261 CA GLU A 21 -7.436 -6.166 -3.359 1.00 0.00 C ATOM 262 C GLU A 21 -6.251 -6.985 -2.855 1.00 0.00 C ATOM 263 O GLU A 21 -5.463 -6.516 -2.034 1.00 0.00 O ATOM 264 CB GLU A 21 -8.719 -6.623 -2.662 1.00 0.00 C ATOM 265 CG GLU A 21 -8.579 -6.755 -1.155 1.00 0.00 C ATOM 266 CD GLU A 21 -9.905 -7.016 -0.467 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.842 -6.213 -0.660 1.00 0.00 O ATOM 268 OE2 GLU A 21 -10.005 -8.023 0.265 1.00 0.00 O ATOM 0 H GLU A 21 -8.536 -6.379 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.257 -5.117 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.516 -5.913 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.025 -7.584 -3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.890 -7.568 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.139 -5.842 -0.753 1.00 0.00 H new ATOM 275 N ARG A 22 -6.133 -8.211 -3.354 1.00 0.00 N ATOM 276 CA ARG A 22 -5.046 -9.097 -2.953 1.00 0.00 C ATOM 277 C ARG A 22 -3.696 -8.528 -3.380 1.00 0.00 C ATOM 278 O ARG A 22 -2.697 -8.683 -2.678 1.00 0.00 O ATOM 279 CB ARG A 22 -5.242 -10.487 -3.562 1.00 0.00 C ATOM 280 CG ARG A 22 -4.191 -11.496 -3.128 1.00 0.00 C ATOM 281 CD ARG A 22 -4.546 -12.128 -1.791 1.00 0.00 C ATOM 282 NE ARG A 22 -3.881 -13.414 -1.601 1.00 0.00 N ATOM 283 CZ ARG A 22 -4.279 -14.540 -2.183 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.332 -14.537 -2.989 1.00 0.00 N ATOM 285 NH2 ARG A 22 -3.622 -15.672 -1.961 1.00 0.00 N ATOM 0 H ARG A 22 -6.776 -8.613 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.059 -9.179 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.228 -10.860 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.227 -10.404 -4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.096 -12.274 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.221 -11.004 -3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.265 -11.451 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.626 -12.265 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.067 -13.450 -0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.838 -13.669 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.636 -15.403 -3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.811 -15.678 -1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.929 -16.536 -2.408 1.00 0.00 H new ATOM 299 N GLN A 23 -3.675 -7.871 -4.536 1.00 0.00 N ATOM 300 CA GLN A 23 -2.447 -7.281 -5.056 1.00 0.00 C ATOM 301 C GLN A 23 -2.038 -6.064 -4.234 1.00 0.00 C ATOM 302 O GLN A 23 -0.864 -5.894 -3.902 1.00 0.00 O ATOM 303 CB GLN A 23 -2.629 -6.884 -6.522 1.00 0.00 C ATOM 304 CG GLN A 23 -2.411 -8.032 -7.495 1.00 0.00 C ATOM 305 CD GLN A 23 -2.694 -7.640 -8.932 1.00 0.00 C ATOM 306 OE1 GLN A 23 -3.699 -6.993 -9.225 1.00 0.00 O ATOM 307 NE2 GLN A 23 -1.805 -8.031 -9.838 1.00 0.00 N ATOM 0 H GLN A 23 -4.493 -7.734 -5.129 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.656 -8.027 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.635 -6.488 -6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.934 -6.079 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.382 -8.382 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.054 -8.867 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.986 -8.566 -9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.942 -7.796 -10.821 1.00 0.00 H new ATOM 316 N ILE A 24 -3.012 -5.220 -3.910 1.00 0.00 N ATOM 317 CA ILE A 24 -2.752 -4.019 -3.126 1.00 0.00 C ATOM 318 C ILE A 24 -2.158 -4.368 -1.766 1.00 0.00 C ATOM 319 O ILE A 24 -1.023 -4.001 -1.458 1.00 0.00 O ATOM 320 CB ILE A 24 -4.035 -3.194 -2.917 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.652 -2.819 -4.266 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.736 -1.946 -2.100 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.123 -2.476 -4.183 1.00 0.00 C ATOM 0 H ILE A 24 -3.988 -5.346 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.035 -3.423 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.753 -3.801 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.111 -1.968 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.519 -3.649 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.653 -1.374 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.338 -2.235 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.003 -1.334 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.494 -2.220 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.675 -3.334 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.261 -1.627 -3.514 1.00 0.00 H new ATOM 335 N LYS A 25 -2.931 -5.081 -0.954 1.00 0.00 N ATOM 336 CA LYS A 25 -2.481 -5.484 0.373 1.00 0.00 C ATOM 337 C LYS A 25 -1.176 -6.268 0.291 1.00 0.00 C ATOM 338 O LYS A 25 -0.352 -6.221 1.205 1.00 0.00 O ATOM 339 CB LYS A 25 -3.554 -6.330 1.062 1.00 0.00 C ATOM 340 CG LYS A 25 -3.875 -7.621 0.329 1.00 0.00 C ATOM 341 CD LYS A 25 -5.244 -8.156 0.713 1.00 0.00 C ATOM 342 CE LYS A 25 -5.282 -8.596 2.169 1.00 0.00 C ATOM 343 NZ LYS A 25 -6.367 -9.584 2.421 1.00 0.00 N ATOM 0 H LYS A 25 -3.873 -5.392 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.305 -4.582 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.223 -6.569 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.465 -5.739 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.840 -7.448 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.115 -8.368 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.997 -7.386 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.500 -8.998 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.322 -9.034 2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.428 -7.725 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.360 -9.859 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.286 -9.158 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.214 -10.426 1.830 1.00 0.00 H new ATOM 357 N LYS A 26 -0.992 -6.988 -0.811 1.00 0.00 N ATOM 358 CA LYS A 26 0.215 -7.781 -1.014 1.00 0.00 C ATOM 359 C LYS A 26 1.435 -6.881 -1.187 1.00 0.00 C ATOM 360 O LYS A 26 2.447 -7.054 -0.509 1.00 0.00 O ATOM 361 CB LYS A 26 0.057 -8.683 -2.240 1.00 0.00 C ATOM 362 CG LYS A 26 -0.568 -10.031 -1.926 1.00 0.00 C ATOM 363 CD LYS A 26 0.413 -10.949 -1.217 1.00 0.00 C ATOM 364 CE LYS A 26 -0.307 -12.005 -0.392 1.00 0.00 C ATOM 365 NZ LYS A 26 -0.936 -11.422 0.826 1.00 0.00 N ATOM 0 H LYS A 26 -1.663 -7.039 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 26 0.365 -8.401 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.557 -8.171 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.036 -8.842 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.450 -9.888 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.905 -10.501 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.054 -11.435 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.061 -10.359 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.073 -12.484 -1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.399 -12.782 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.146 -12.181 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.283 -10.739 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.819 -10.939 0.563 1.00 0.00 H new ATOM 379 N ALA A 27 1.330 -5.918 -2.098 1.00 0.00 N ATOM 380 CA ALA A 27 2.423 -4.989 -2.356 1.00 0.00 C ATOM 381 C ALA A 27 2.672 -4.086 -1.153 1.00 0.00 C ATOM 382 O ALA A 27 3.817 -3.792 -0.811 1.00 0.00 O ATOM 383 CB ALA A 27 2.124 -4.154 -3.593 1.00 0.00 C ATOM 0 H ALA A 27 0.499 -5.761 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 27 3.328 -5.571 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.948 -3.464 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.004 -4.810 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.205 -3.588 -3.437 1.00 0.00 H new ATOM 389 N PHE A 28 1.592 -3.648 -0.514 1.00 0.00 N ATOM 390 CA PHE A 28 1.693 -2.776 0.650 1.00 0.00 C ATOM 391 C PHE A 28 2.389 -3.490 1.805 1.00 0.00 C ATOM 392 O PHE A 28 3.417 -3.032 2.304 1.00 0.00 O ATOM 393 CB PHE A 28 0.303 -2.310 1.087 1.00 0.00 C ATOM 394 CG PHE A 28 0.305 -1.552 2.384 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.294 -0.621 2.657 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.682 -1.772 3.332 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.299 0.078 3.849 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.683 -1.076 4.525 1.00 0.00 C ATOM 399 CZ PHE A 28 0.309 -0.151 4.785 1.00 0.00 C ATOM 0 H PHE A 28 0.637 -3.883 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 28 2.289 -1.907 0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.122 -1.678 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.349 -3.178 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.071 -0.439 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.459 -2.496 3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.075 0.802 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.459 -1.255 5.254 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.311 0.392 5.718 1.00 0.00 H new ATOM 409 N HIS A 29 1.820 -4.616 2.226 1.00 0.00 N ATOM 410 CA HIS A 29 2.384 -5.394 3.323 1.00 0.00 C ATOM 411 C HIS A 29 3.907 -5.437 3.231 1.00 0.00 C ATOM 412 O HIS A 29 4.606 -4.955 4.123 1.00 0.00 O ATOM 413 CB HIS A 29 1.821 -6.816 3.309 1.00 0.00 C ATOM 414 CG HIS A 29 0.511 -6.948 4.024 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.215 -8.000 4.864 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.583 -6.152 4.020 1.00 0.00 C ATOM 417 CE1 HIS A 29 -1.005 -7.846 5.346 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.511 -6.732 4.849 1.00 0.00 N ATOM 0 H HIS A 29 0.969 -5.009 1.824 1.00 0.00 H new ATOM 0 HA HIS A 29 2.107 -4.910 4.260 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.696 -7.138 2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.545 -7.489 3.767 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.704 -5.232 3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.504 -8.517 6.030 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.440 -6.362 5.049 1.00 0.00 H new ATOM 426 N LYS A 30 4.414 -6.016 2.148 1.00 0.00 N ATOM 427 CA LYS A 30 5.853 -6.121 1.939 1.00 0.00 C ATOM 428 C LYS A 30 6.530 -4.768 2.126 1.00 0.00 C ATOM 429 O LYS A 30 7.544 -4.660 2.818 1.00 0.00 O ATOM 430 CB LYS A 30 6.147 -6.662 0.538 1.00 0.00 C ATOM 431 CG LYS A 30 5.661 -8.084 0.320 1.00 0.00 C ATOM 432 CD LYS A 30 5.985 -8.575 -1.081 1.00 0.00 C ATOM 433 CE LYS A 30 5.130 -7.877 -2.128 1.00 0.00 C ATOM 434 NZ LYS A 30 5.057 -8.657 -3.394 1.00 0.00 N ATOM 0 H LYS A 30 3.849 -6.420 1.401 1.00 0.00 H new ATOM 0 HA LYS A 30 6.253 -6.813 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.679 -6.010 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.222 -6.623 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.123 -8.744 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.584 -8.131 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.039 -8.399 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.824 -9.652 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.124 -7.728 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.542 -6.889 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.466 -8.148 -4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.014 -8.778 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.640 -9.591 -3.203 1.00 0.00 H new ATOM 448 N LEU A 31 5.965 -3.738 1.507 1.00 0.00 N ATOM 449 CA LEU A 31 6.513 -2.390 1.607 1.00 0.00 C ATOM 450 C LEU A 31 6.619 -1.951 3.064 1.00 0.00 C ATOM 451 O LEU A 31 7.714 -1.719 3.575 1.00 0.00 O ATOM 452 CB LEU A 31 5.641 -1.404 0.828 1.00 0.00 C ATOM 453 CG LEU A 31 5.821 -1.403 -0.691 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.731 -0.578 -1.357 1.00 0.00 C ATOM 455 CD2 LEU A 31 7.198 -0.872 -1.064 1.00 0.00 C ATOM 0 H LEU A 31 5.127 -3.810 0.930 1.00 0.00 H new ATOM 0 HA LEU A 31 7.514 -2.399 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.596 -1.620 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.844 -0.399 1.198 1.00 0.00 H new ATOM 0 HG LEU A 31 5.740 -2.430 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.875 -0.589 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.756 -1.002 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.779 0.449 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.309 -0.878 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.307 0.147 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.965 -1.504 -0.617 1.00 0.00 H new ATOM 467 N ALA A 32 5.473 -1.842 3.728 1.00 0.00 N ATOM 468 CA ALA A 32 5.437 -1.436 5.128 1.00 0.00 C ATOM 469 C ALA A 32 6.613 -2.023 5.900 1.00 0.00 C ATOM 470 O ALA A 32 7.180 -1.370 6.776 1.00 0.00 O ATOM 471 CB ALA A 32 4.121 -1.856 5.766 1.00 0.00 C ATOM 0 H ALA A 32 4.557 -2.029 3.319 1.00 0.00 H new ATOM 0 HA ALA A 32 5.516 -0.350 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.108 -1.546 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.293 -1.383 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.018 -2.939 5.707 1.00 0.00 H new ATOM 477 N MET A 33 6.974 -3.258 5.570 1.00 0.00 N ATOM 478 CA MET A 33 8.084 -3.933 6.234 1.00 0.00 C ATOM 479 C MET A 33 9.407 -3.243 5.916 1.00 0.00 C ATOM 480 O MET A 33 10.246 -3.051 6.797 1.00 0.00 O ATOM 481 CB MET A 33 8.146 -5.400 5.807 1.00 0.00 C ATOM 482 CG MET A 33 6.883 -6.181 6.132 1.00 0.00 C ATOM 483 SD MET A 33 6.329 -5.931 7.830 1.00 0.00 S ATOM 484 CE MET A 33 4.552 -5.930 7.610 1.00 0.00 C ATOM 0 H MET A 33 6.515 -3.812 4.847 1.00 0.00 H new ATOM 0 HA MET A 33 7.916 -3.882 7.310 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.328 -5.450 4.734 1.00 0.00 H new ATOM 0 HB3 MET A 33 8.995 -5.877 6.297 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.089 -5.882 5.447 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.064 -7.243 5.966 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.066 -5.785 8.575 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.269 -5.121 6.936 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.237 -6.883 7.185 1.00 0.00 H new ATOM 494 N LYS A 34 9.588 -2.872 4.653 1.00 0.00 N ATOM 495 CA LYS A 34 10.809 -2.203 4.219 1.00 0.00 C ATOM 496 C LYS A 34 10.926 -0.821 4.854 1.00 0.00 C ATOM 497 O LYS A 34 12.025 -0.364 5.171 1.00 0.00 O ATOM 498 CB LYS A 34 10.832 -2.079 2.694 1.00 0.00 C ATOM 499 CG LYS A 34 12.015 -1.286 2.166 1.00 0.00 C ATOM 500 CD LYS A 34 11.766 -0.787 0.753 1.00 0.00 C ATOM 501 CE LYS A 34 12.151 -1.832 -0.283 1.00 0.00 C ATOM 502 NZ LYS A 34 13.606 -1.790 -0.599 1.00 0.00 N ATOM 0 H LYS A 34 8.904 -3.023 3.911 1.00 0.00 H new ATOM 0 HA LYS A 34 11.659 -2.805 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.850 -3.077 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.909 -1.603 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.208 -0.438 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.908 -1.911 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.713 -0.529 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.338 0.125 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.888 -2.823 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.576 -1.668 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.828 -2.517 -1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.853 -0.852 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.154 -1.971 0.266 1.00 0.00 H new ATOM 516 N TYR A 35 9.789 -0.161 5.038 1.00 0.00 N ATOM 517 CA TYR A 35 9.765 1.170 5.635 1.00 0.00 C ATOM 518 C TYR A 35 9.136 1.133 7.024 1.00 0.00 C ATOM 519 O TYR A 35 8.673 2.152 7.536 1.00 0.00 O ATOM 520 CB TYR A 35 8.992 2.139 4.739 1.00 0.00 C ATOM 521 CG TYR A 35 9.692 2.447 3.434 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.730 3.370 3.381 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.316 1.816 2.255 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.372 3.655 2.192 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.953 2.094 1.061 1.00 0.00 C ATOM 526 CZ TYR A 35 10.980 3.014 1.035 1.00 0.00 C ATOM 527 OH TYR A 35 11.617 3.294 -0.153 1.00 0.00 O ATOM 0 H TYR A 35 8.871 -0.525 4.783 1.00 0.00 H new ATOM 0 HA TYR A 35 10.794 1.516 5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.010 1.717 4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.827 3.070 5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.040 3.873 4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.512 1.095 2.272 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.176 4.375 2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.649 1.594 0.153 1.00 0.00 H new ATOM 0 HH TYR A 35 11.221 2.757 -0.871 1.00 0.00 H new ATOM 537 N HIS A 36 9.124 -0.051 7.630 1.00 0.00 N ATOM 538 CA HIS A 36 8.554 -0.222 8.961 1.00 0.00 C ATOM 539 C HIS A 36 9.375 0.528 10.005 1.00 0.00 C ATOM 540 O HIS A 36 10.606 0.542 9.969 1.00 0.00 O ATOM 541 CB HIS A 36 8.484 -1.707 9.321 1.00 0.00 C ATOM 542 CG HIS A 36 7.385 -2.038 10.283 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.511 -1.894 11.649 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.133 -2.508 10.070 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.385 -2.262 12.234 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.533 -2.639 11.298 1.00 0.00 N ATOM 0 H HIS A 36 9.502 -0.905 7.220 1.00 0.00 H new ATOM 0 HA HIS A 36 7.545 0.191 8.953 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.345 -2.287 8.409 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.437 -2.014 9.751 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.689 -2.737 9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.194 -2.256 13.297 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.583 -2.973 11.461 1.00 0.00 H new ATOM 554 N PRO A 37 8.680 1.168 10.957 1.00 0.00 N ATOM 555 CA PRO A 37 9.325 1.933 12.029 1.00 0.00 C ATOM 556 C PRO A 37 10.052 1.036 13.025 1.00 0.00 C ATOM 557 O PRO A 37 11.172 1.334 13.441 1.00 0.00 O ATOM 558 CB PRO A 37 8.155 2.648 12.708 1.00 0.00 C ATOM 559 CG PRO A 37 6.969 1.793 12.419 1.00 0.00 C ATOM 560 CD PRO A 37 7.212 1.195 11.061 1.00 0.00 C ATOM 0 HA PRO A 37 10.090 2.608 11.645 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.320 2.746 13.781 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.023 3.655 12.312 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.856 1.015 13.174 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.052 2.382 12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.785 0.195 10.980 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.764 1.798 10.271 1.00 0.00 H new ATOM 568 N ASP A 38 9.408 -0.063 13.403 1.00 0.00 N ATOM 569 CA ASP A 38 9.994 -1.005 14.349 1.00 0.00 C ATOM 570 C ASP A 38 11.271 -1.619 13.784 1.00 0.00 C ATOM 571 O ASP A 38 12.330 -1.566 14.411 1.00 0.00 O ATOM 572 CB ASP A 38 8.991 -2.107 14.692 1.00 0.00 C ATOM 573 CG ASP A 38 9.462 -2.983 15.836 1.00 0.00 C ATOM 574 OD1 ASP A 38 10.142 -3.996 15.567 1.00 0.00 O ATOM 575 OD2 ASP A 38 9.152 -2.656 17.000 1.00 0.00 O ATOM 0 H ASP A 38 8.480 -0.323 13.069 1.00 0.00 H new ATOM 0 HA ASP A 38 10.246 -0.459 15.258 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.035 -1.655 14.954 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.820 -2.726 13.811 1.00 0.00 H new ATOM 580 N LYS A 39 11.165 -2.204 12.596 1.00 0.00 N ATOM 581 CA LYS A 39 12.310 -2.830 11.945 1.00 0.00 C ATOM 582 C LYS A 39 13.350 -1.785 11.553 1.00 0.00 C ATOM 583 O LYS A 39 14.523 -1.903 11.903 1.00 0.00 O ATOM 584 CB LYS A 39 11.857 -3.605 10.706 1.00 0.00 C ATOM 585 CG LYS A 39 10.699 -4.552 10.969 1.00 0.00 C ATOM 586 CD LYS A 39 11.181 -5.880 11.528 1.00 0.00 C ATOM 587 CE LYS A 39 11.503 -6.868 10.418 1.00 0.00 C ATOM 588 NZ LYS A 39 12.675 -6.433 9.610 1.00 0.00 N ATOM 0 H LYS A 39 10.297 -2.258 12.064 1.00 0.00 H new ATOM 0 HA LYS A 39 12.766 -3.523 12.652 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.566 -2.896 9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.700 -4.175 10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.004 -4.092 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.150 -4.724 10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.068 -5.718 12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.416 -6.301 12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.704 -7.848 10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.635 -6.979 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.009 -7.227 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.397 -5.643 8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.439 -6.124 10.245 1.00 0.00 H new ATOM 602 N ASN A 40 12.911 -0.763 10.826 1.00 0.00 N ATOM 603 CA ASN A 40 13.805 0.303 10.388 1.00 0.00 C ATOM 604 C ASN A 40 14.211 1.189 11.561 1.00 0.00 C ATOM 605 O ASN A 40 13.362 1.742 12.260 1.00 0.00 O ATOM 606 CB ASN A 40 13.131 1.149 9.305 1.00 0.00 C ATOM 607 CG ASN A 40 14.132 1.765 8.346 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.235 2.141 8.741 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.749 1.869 7.079 1.00 0.00 N ATOM 0 H ASN A 40 11.942 -0.650 10.528 1.00 0.00 H new ATOM 0 HA ASN A 40 14.703 -0.157 9.975 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.431 0.528 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.549 1.941 9.776 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.380 2.274 6.387 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.824 1.543 6.797 1.00 0.00 H new ATOM 616 N LYS A 41 15.517 1.320 11.772 1.00 0.00 N ATOM 617 CA LYS A 41 16.039 2.140 12.859 1.00 0.00 C ATOM 618 C LYS A 41 16.431 3.525 12.355 1.00 0.00 C ATOM 619 O LYS A 41 17.432 4.094 12.791 1.00 0.00 O ATOM 620 CB LYS A 41 17.247 1.459 13.504 1.00 0.00 C ATOM 621 CG LYS A 41 16.891 0.220 14.306 1.00 0.00 C ATOM 622 CD LYS A 41 18.107 -0.659 14.545 1.00 0.00 C ATOM 623 CE LYS A 41 17.708 -2.106 14.797 1.00 0.00 C ATOM 624 NZ LYS A 41 17.567 -2.871 13.528 1.00 0.00 N ATOM 0 H LYS A 41 16.234 0.868 11.204 1.00 0.00 H new ATOM 0 HA LYS A 41 15.253 2.253 13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.958 1.185 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.750 2.172 14.157 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.461 0.516 15.263 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.127 -0.350 13.777 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.769 -0.608 13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.668 -0.281 15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.457 -2.585 15.428 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.766 -2.133 15.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.294 -3.852 13.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.835 -2.430 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.473 -2.867 13.018 1.00 0.00 H new ATOM 638 N SER A 42 15.636 4.063 11.436 1.00 0.00 N ATOM 639 CA SER A 42 15.902 5.381 10.871 1.00 0.00 C ATOM 640 C SER A 42 14.688 6.292 11.023 1.00 0.00 C ATOM 641 O SER A 42 13.544 5.841 11.077 1.00 0.00 O ATOM 642 CB SER A 42 16.281 5.260 9.394 1.00 0.00 C ATOM 643 OG SER A 42 17.657 4.953 9.244 1.00 0.00 O ATOM 0 H SER A 42 14.802 3.607 11.067 1.00 0.00 H new ATOM 0 HA SER A 42 16.736 5.821 11.417 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.678 4.483 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.055 6.194 8.880 1.00 0.00 H new ATOM 0 HG SER A 42 17.874 4.879 8.291 1.00 0.00 H new ATOM 649 N PRO A 43 14.941 7.608 11.094 1.00 0.00 N ATOM 650 CA PRO A 43 13.883 8.611 11.240 1.00 0.00 C ATOM 651 C PRO A 43 13.031 8.743 9.981 1.00 0.00 C ATOM 652 O PRO A 43 11.803 8.769 10.052 1.00 0.00 O ATOM 653 CB PRO A 43 14.655 9.906 11.501 1.00 0.00 C ATOM 654 CG PRO A 43 15.990 9.683 10.878 1.00 0.00 C ATOM 655 CD PRO A 43 16.281 8.216 11.036 1.00 0.00 C ATOM 0 HA PRO A 43 13.181 8.350 12.032 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.150 10.764 11.058 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.745 10.105 12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.982 9.968 9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.754 10.287 11.366 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.862 7.829 10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.853 8.015 11.942 1.00 0.00 H new ATOM 663 N ASP A 44 13.692 8.825 8.832 1.00 0.00 N ATOM 664 CA ASP A 44 12.996 8.952 7.557 1.00 0.00 C ATOM 665 C ASP A 44 12.012 7.803 7.358 1.00 0.00 C ATOM 666 O ASP A 44 10.882 8.010 6.917 1.00 0.00 O ATOM 667 CB ASP A 44 14.000 8.986 6.404 1.00 0.00 C ATOM 668 CG ASP A 44 15.177 9.898 6.687 1.00 0.00 C ATOM 669 OD1 ASP A 44 16.016 9.536 7.538 1.00 0.00 O ATOM 670 OD2 ASP A 44 15.258 10.975 6.059 1.00 0.00 O ATOM 0 H ASP A 44 14.709 8.806 8.757 1.00 0.00 H new ATOM 0 HA ASP A 44 12.437 9.888 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.364 7.976 6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.496 9.319 5.497 1.00 0.00 H new ATOM 675 N ALA A 45 12.450 6.592 7.684 1.00 0.00 N ATOM 676 CA ALA A 45 11.609 5.411 7.542 1.00 0.00 C ATOM 677 C ALA A 45 10.222 5.651 8.131 1.00 0.00 C ATOM 678 O ALA A 45 9.211 5.470 7.453 1.00 0.00 O ATOM 679 CB ALA A 45 12.266 4.211 8.208 1.00 0.00 C ATOM 0 H ALA A 45 13.384 6.403 8.049 1.00 0.00 H new ATOM 0 HA ALA A 45 11.493 5.204 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.626 3.336 8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.231 4.018 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.412 4.418 9.268 1.00 0.00 H new ATOM 685 N GLU A 46 10.184 6.058 9.396 1.00 0.00 N ATOM 686 CA GLU A 46 8.920 6.321 10.075 1.00 0.00 C ATOM 687 C GLU A 46 8.007 7.185 9.210 1.00 0.00 C ATOM 688 O GLU A 46 6.811 6.921 9.096 1.00 0.00 O ATOM 689 CB GLU A 46 9.171 7.010 11.417 1.00 0.00 C ATOM 690 CG GLU A 46 7.991 6.931 12.372 1.00 0.00 C ATOM 691 CD GLU A 46 8.328 7.441 13.760 1.00 0.00 C ATOM 692 OE1 GLU A 46 9.390 7.054 14.291 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.531 8.226 14.314 1.00 0.00 O ATOM 0 H GLU A 46 11.012 6.213 9.971 1.00 0.00 H new ATOM 0 HA GLU A 46 8.426 5.365 10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.042 6.557 11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.414 8.058 11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.162 7.511 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.653 5.897 12.441 1.00 0.00 H new ATOM 700 N ALA A 47 8.581 8.219 8.603 1.00 0.00 N ATOM 701 CA ALA A 47 7.821 9.121 7.747 1.00 0.00 C ATOM 702 C ALA A 47 7.312 8.400 6.504 1.00 0.00 C ATOM 703 O ALA A 47 6.117 8.421 6.207 1.00 0.00 O ATOM 704 CB ALA A 47 8.673 10.318 7.353 1.00 0.00 C ATOM 0 H ALA A 47 9.570 8.452 8.689 1.00 0.00 H new ATOM 0 HA ALA A 47 6.957 9.474 8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.092 10.983 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.983 10.855 8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.555 9.975 6.813 1.00 0.00 H new ATOM 710 N LYS A 48 8.225 7.762 5.779 1.00 0.00 N ATOM 711 CA LYS A 48 7.869 7.033 4.568 1.00 0.00 C ATOM 712 C LYS A 48 6.635 6.167 4.797 1.00 0.00 C ATOM 713 O LYS A 48 5.680 6.212 4.021 1.00 0.00 O ATOM 714 CB LYS A 48 9.040 6.161 4.110 1.00 0.00 C ATOM 715 CG LYS A 48 10.140 6.938 3.408 1.00 0.00 C ATOM 716 CD LYS A 48 9.701 7.403 2.029 1.00 0.00 C ATOM 717 CE LYS A 48 9.752 6.270 1.016 1.00 0.00 C ATOM 718 NZ LYS A 48 9.353 6.725 -0.345 1.00 0.00 N ATOM 0 H LYS A 48 9.218 7.735 6.010 1.00 0.00 H new ATOM 0 HA LYS A 48 7.640 7.761 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.463 5.651 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.666 5.389 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.420 7.801 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.028 6.312 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.687 7.799 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.344 8.218 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.761 5.860 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.092 5.465 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.401 5.924 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.381 7.093 -0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.999 7.476 -0.663 1.00 0.00 H new ATOM 732 N PHE A 49 6.661 5.380 5.867 1.00 0.00 N ATOM 733 CA PHE A 49 5.543 4.503 6.198 1.00 0.00 C ATOM 734 C PHE A 49 4.251 5.301 6.343 1.00 0.00 C ATOM 735 O PHE A 49 3.159 4.783 6.104 1.00 0.00 O ATOM 736 CB PHE A 49 5.832 3.740 7.493 1.00 0.00 C ATOM 737 CG PHE A 49 4.686 2.886 7.954 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.242 1.824 7.182 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.053 3.145 9.159 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.187 1.037 7.604 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.998 2.361 9.586 1.00 0.00 C ATOM 742 CZ PHE A 49 2.565 1.305 8.808 1.00 0.00 C ATOM 0 H PHE A 49 7.443 5.331 6.520 1.00 0.00 H new ATOM 0 HA PHE A 49 5.420 3.789 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.709 3.109 7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.081 4.454 8.278 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.726 1.609 6.241 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.388 3.969 9.772 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.849 0.213 6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.513 2.574 10.527 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.742 0.690 9.140 1.00 0.00 H new ATOM 752 N ARG A 50 4.382 6.563 6.736 1.00 0.00 N ATOM 753 CA ARG A 50 3.226 7.433 6.915 1.00 0.00 C ATOM 754 C ARG A 50 2.527 7.688 5.583 1.00 0.00 C ATOM 755 O ARG A 50 1.377 8.126 5.548 1.00 0.00 O ATOM 756 CB ARG A 50 3.651 8.761 7.543 1.00 0.00 C ATOM 757 CG ARG A 50 2.489 9.582 8.077 1.00 0.00 C ATOM 758 CD ARG A 50 2.151 9.202 9.510 1.00 0.00 C ATOM 759 NE ARG A 50 1.525 10.304 10.236 1.00 0.00 N ATOM 760 CZ ARG A 50 1.053 10.195 11.473 1.00 0.00 C ATOM 761 NH1 ARG A 50 1.137 9.040 12.119 1.00 0.00 N ATOM 762 NH2 ARG A 50 0.497 11.243 12.066 1.00 0.00 N ATOM 0 H ARG A 50 5.278 7.007 6.937 1.00 0.00 H new ATOM 0 HA ARG A 50 2.526 6.932 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.348 8.562 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.189 9.349 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.739 10.642 8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.615 9.432 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.481 8.342 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.060 8.897 10.028 1.00 0.00 H new ATOM 0 HE ARG A 50 1.446 11.207 9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.565 8.232 11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.774 8.959 13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.432 12.133 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.135 11.159 13.016 1.00 0.00 H new ATOM 776 N GLU A 51 3.229 7.411 4.489 1.00 0.00 N ATOM 777 CA GLU A 51 2.676 7.613 3.155 1.00 0.00 C ATOM 778 C GLU A 51 2.215 6.289 2.551 1.00 0.00 C ATOM 779 O GLU A 51 1.347 6.262 1.678 1.00 0.00 O ATOM 780 CB GLU A 51 3.714 8.268 2.241 1.00 0.00 C ATOM 781 CG GLU A 51 3.690 9.787 2.285 1.00 0.00 C ATOM 782 CD GLU A 51 4.492 10.415 1.162 1.00 0.00 C ATOM 783 OE1 GLU A 51 5.627 9.956 0.916 1.00 0.00 O ATOM 784 OE2 GLU A 51 3.986 11.365 0.529 1.00 0.00 O ATOM 0 H GLU A 51 4.181 7.046 4.500 1.00 0.00 H new ATOM 0 HA GLU A 51 1.813 8.273 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.707 7.920 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.542 7.940 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.658 10.132 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.086 10.125 3.243 1.00 0.00 H new ATOM 791 N ILE A 52 2.803 5.195 3.022 1.00 0.00 N ATOM 792 CA ILE A 52 2.453 3.868 2.530 1.00 0.00 C ATOM 793 C ILE A 52 1.128 3.395 3.118 1.00 0.00 C ATOM 794 O ILE A 52 0.265 2.889 2.402 1.00 0.00 O ATOM 795 CB ILE A 52 3.547 2.837 2.864 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.934 3.438 2.629 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.361 1.578 2.030 1.00 0.00 C ATOM 798 CD1 ILE A 52 6.047 2.414 2.646 1.00 0.00 C ATOM 0 H ILE A 52 3.524 5.201 3.744 1.00 0.00 H new ATOM 0 HA ILE A 52 2.359 3.948 1.447 1.00 0.00 H new ATOM 0 HB ILE A 52 3.462 2.568 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.940 3.953 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.130 4.189 3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.142 0.859 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.385 1.142 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.423 1.830 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.001 2.911 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.068 1.916 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.875 1.676 1.862 1.00 0.00 H new ATOM 810 N ALA A 53 0.973 3.567 4.427 1.00 0.00 N ATOM 811 CA ALA A 53 -0.248 3.161 5.111 1.00 0.00 C ATOM 812 C ALA A 53 -1.458 3.914 4.567 1.00 0.00 C ATOM 813 O ALA A 53 -2.377 3.312 4.013 1.00 0.00 O ATOM 814 CB ALA A 53 -0.114 3.388 6.610 1.00 0.00 C ATOM 0 H ALA A 53 1.678 3.985 5.034 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.401 2.098 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.033 3.080 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.721 2.801 6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.067 4.445 6.803 1.00 0.00 H new ATOM 820 N GLU A 54 -1.451 5.233 4.730 1.00 0.00 N ATOM 821 CA GLU A 54 -2.549 6.067 4.255 1.00 0.00 C ATOM 822 C GLU A 54 -2.951 5.680 2.835 1.00 0.00 C ATOM 823 O GLU A 54 -4.129 5.719 2.480 1.00 0.00 O ATOM 824 CB GLU A 54 -2.154 7.544 4.301 1.00 0.00 C ATOM 825 CG GLU A 54 -3.274 8.487 3.894 1.00 0.00 C ATOM 826 CD GLU A 54 -4.424 8.487 4.882 1.00 0.00 C ATOM 827 OE1 GLU A 54 -4.158 8.536 6.102 1.00 0.00 O ATOM 828 OE2 GLU A 54 -5.590 8.436 4.437 1.00 0.00 O ATOM 0 H GLU A 54 -0.698 5.747 5.187 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.404 5.907 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.830 7.793 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.299 7.703 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.878 9.498 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.645 8.201 2.910 1.00 0.00 H new ATOM 835 N ALA A 55 -1.964 5.309 2.027 1.00 0.00 N ATOM 836 CA ALA A 55 -2.214 4.914 0.646 1.00 0.00 C ATOM 837 C ALA A 55 -3.020 3.621 0.583 1.00 0.00 C ATOM 838 O ALA A 55 -3.936 3.489 -0.229 1.00 0.00 O ATOM 839 CB ALA A 55 -0.899 4.756 -0.104 1.00 0.00 C ATOM 0 H ALA A 55 -0.983 5.274 2.305 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.799 5.700 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.101 4.461 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.360 5.703 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.293 3.990 0.381 1.00 0.00 H new ATOM 845 N TYR A 56 -2.673 2.670 1.442 1.00 0.00 N ATOM 846 CA TYR A 56 -3.362 1.386 1.481 1.00 0.00 C ATOM 847 C TYR A 56 -4.736 1.525 2.130 1.00 0.00 C ATOM 848 O TYR A 56 -5.746 1.107 1.564 1.00 0.00 O ATOM 849 CB TYR A 56 -2.527 0.357 2.245 1.00 0.00 C ATOM 850 CG TYR A 56 -3.246 -0.951 2.483 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.402 -1.877 1.458 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.771 -1.261 3.731 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.059 -3.073 1.671 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.429 -2.456 3.953 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.570 -3.358 2.920 1.00 0.00 C ATOM 856 OH TYR A 56 -5.226 -4.549 3.136 1.00 0.00 O ATOM 0 H TYR A 56 -1.918 2.764 2.121 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.497 1.044 0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.610 0.162 1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.234 0.781 3.206 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.003 -1.658 0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.663 -0.556 4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.172 -3.781 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.830 -2.682 4.930 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.523 -4.594 4.069 1.00 0.00 H new ATOM 866 N GLU A 57 -4.764 2.115 3.320 1.00 0.00 N ATOM 867 CA GLU A 57 -6.013 2.309 4.047 1.00 0.00 C ATOM 868 C GLU A 57 -7.166 2.581 3.084 1.00 0.00 C ATOM 869 O GLU A 57 -8.281 2.097 3.279 1.00 0.00 O ATOM 870 CB GLU A 57 -5.878 3.467 5.038 1.00 0.00 C ATOM 871 CG GLU A 57 -4.943 3.169 6.198 1.00 0.00 C ATOM 872 CD GLU A 57 -5.385 1.967 7.009 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.606 1.809 7.218 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.511 1.184 7.436 1.00 0.00 O ATOM 0 H GLU A 57 -3.936 2.467 3.801 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.229 1.393 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.516 4.348 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.864 3.714 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.938 2.994 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.888 4.042 6.849 1.00 0.00 H new ATOM 881 N THR A 58 -6.889 3.361 2.044 1.00 0.00 N ATOM 882 CA THR A 58 -7.901 3.700 1.051 1.00 0.00 C ATOM 883 C THR A 58 -8.127 2.546 0.080 1.00 0.00 C ATOM 884 O THR A 58 -9.261 2.118 -0.138 1.00 0.00 O ATOM 885 CB THR A 58 -7.507 4.957 0.254 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.117 6.004 1.150 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.662 5.431 -0.615 1.00 0.00 C ATOM 0 H THR A 58 -5.972 3.770 1.867 1.00 0.00 H new ATOM 0 HA THR A 58 -8.824 3.899 1.596 1.00 0.00 H new ATOM 0 HB THR A 58 -6.667 4.701 -0.392 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.566 6.657 0.670 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.360 6.320 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.937 4.643 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.518 5.670 0.016 1.00 0.00 H new ATOM 895 N LEU A 59 -7.041 2.046 -0.499 1.00 0.00 N ATOM 896 CA LEU A 59 -7.121 0.940 -1.447 1.00 0.00 C ATOM 897 C LEU A 59 -7.325 -0.386 -0.721 1.00 0.00 C ATOM 898 O LEU A 59 -7.330 -1.450 -1.340 1.00 0.00 O ATOM 899 CB LEU A 59 -5.851 0.878 -2.297 1.00 0.00 C ATOM 900 CG LEU A 59 -5.412 2.193 -2.944 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.104 2.006 -3.698 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.496 2.717 -3.874 1.00 0.00 C ATOM 0 H LEU A 59 -6.095 2.388 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.978 1.113 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.036 0.514 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.001 0.140 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.251 2.928 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.807 2.952 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.329 1.676 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.237 1.256 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.167 3.653 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.689 1.984 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.410 2.890 -3.306 1.00 0.00 H new ATOM 914 N SER A 60 -7.495 -0.314 0.595 1.00 0.00 N ATOM 915 CA SER A 60 -7.698 -1.509 1.406 1.00 0.00 C ATOM 916 C SER A 60 -9.185 -1.788 1.599 1.00 0.00 C ATOM 917 O SER A 60 -9.660 -2.893 1.335 1.00 0.00 O ATOM 918 CB SER A 60 -7.017 -1.349 2.767 1.00 0.00 C ATOM 919 OG SER A 60 -7.642 -0.336 3.535 1.00 0.00 O ATOM 0 H SER A 60 -7.496 0.559 1.123 1.00 0.00 H new ATOM 0 HA SER A 60 -7.252 -2.354 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.053 -2.294 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.965 -1.104 2.624 1.00 0.00 H new ATOM 0 HG SER A 60 -7.954 0.379 2.942 1.00 0.00 H new ATOM 925 N ASP A 61 -9.915 -0.779 2.061 1.00 0.00 N ATOM 926 CA ASP A 61 -11.349 -0.913 2.289 1.00 0.00 C ATOM 927 C ASP A 61 -12.111 -0.919 0.968 1.00 0.00 C ATOM 928 O ASP A 61 -11.603 -0.461 -0.055 1.00 0.00 O ATOM 929 CB ASP A 61 -11.855 0.223 3.179 1.00 0.00 C ATOM 930 CG ASP A 61 -11.793 -0.125 4.654 1.00 0.00 C ATOM 931 OD1 ASP A 61 -12.218 -1.241 5.018 1.00 0.00 O ATOM 932 OD2 ASP A 61 -11.320 0.720 5.443 1.00 0.00 O ATOM 0 H ASP A 61 -9.537 0.141 2.285 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.524 -1.863 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.260 1.118 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.883 0.462 2.908 1.00 0.00 H new ATOM 937 N ALA A 62 -13.333 -1.441 0.997 1.00 0.00 N ATOM 938 CA ALA A 62 -14.165 -1.506 -0.198 1.00 0.00 C ATOM 939 C ALA A 62 -14.667 -0.121 -0.592 1.00 0.00 C ATOM 940 O ALA A 62 -14.224 0.449 -1.589 1.00 0.00 O ATOM 941 CB ALA A 62 -15.337 -2.450 0.026 1.00 0.00 C ATOM 0 H ALA A 62 -13.769 -1.825 1.835 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.555 -1.890 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.950 -2.489 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.962 -3.448 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.940 -2.090 0.860 1.00 0.00 H new ATOM 947 N ASN A 63 -15.593 0.415 0.196 1.00 0.00 N ATOM 948 CA ASN A 63 -16.156 1.733 -0.073 1.00 0.00 C ATOM 949 C ASN A 63 -15.051 2.756 -0.319 1.00 0.00 C ATOM 950 O ASN A 63 -15.122 3.547 -1.260 1.00 0.00 O ATOM 951 CB ASN A 63 -17.033 2.185 1.097 1.00 0.00 C ATOM 952 CG ASN A 63 -18.104 1.169 1.441 1.00 0.00 C ATOM 953 OD1 ASN A 63 -18.076 0.558 2.510 1.00 0.00 O ATOM 954 ND2 ASN A 63 -19.057 0.983 0.535 1.00 0.00 N ATOM 0 H ASN A 63 -15.969 -0.043 1.026 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.769 1.662 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.406 2.359 1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.504 3.136 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -19.805 0.312 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.041 1.511 -0.338 1.00 0.00 H new ATOM 961 N ARG A 64 -14.031 2.734 0.532 1.00 0.00 N ATOM 962 CA ARG A 64 -12.912 3.660 0.408 1.00 0.00 C ATOM 963 C ARG A 64 -12.248 3.529 -0.960 1.00 0.00 C ATOM 964 O ARG A 64 -12.131 4.506 -1.701 1.00 0.00 O ATOM 965 CB ARG A 64 -11.884 3.403 1.512 1.00 0.00 C ATOM 966 CG ARG A 64 -12.390 3.742 2.905 1.00 0.00 C ATOM 967 CD ARG A 64 -11.244 3.887 3.893 1.00 0.00 C ATOM 968 NE ARG A 64 -11.574 4.802 4.983 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.765 6.106 4.816 1.00 0.00 C ATOM 970 NH1 ARG A 64 -11.659 6.645 3.610 1.00 0.00 N ATOM 971 NH2 ARG A 64 -12.062 6.872 5.857 1.00 0.00 N ATOM 0 H ARG A 64 -13.956 2.085 1.315 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.299 4.674 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.590 2.354 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.989 3.990 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.961 4.670 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.070 2.961 3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.994 2.909 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.359 4.250 3.371 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.663 4.419 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.430 6.058 2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.806 7.646 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.144 6.460 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.209 7.873 5.728 1.00 0.00 H new ATOM 985 N ARG A 65 -11.814 2.316 -1.288 1.00 0.00 N ATOM 986 CA ARG A 65 -11.160 2.058 -2.565 1.00 0.00 C ATOM 987 C ARG A 65 -12.111 2.328 -3.727 1.00 0.00 C ATOM 988 O ARG A 65 -11.684 2.697 -4.821 1.00 0.00 O ATOM 989 CB ARG A 65 -10.662 0.613 -2.624 1.00 0.00 C ATOM 990 CG ARG A 65 -9.783 0.320 -3.830 1.00 0.00 C ATOM 991 CD ARG A 65 -10.606 -0.157 -5.016 1.00 0.00 C ATOM 992 NE ARG A 65 -9.802 -0.271 -6.230 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.319 -0.301 -7.453 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.632 -0.226 -7.624 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.522 -0.405 -8.509 1.00 0.00 N ATOM 0 H ARG A 65 -11.904 1.497 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.308 2.732 -2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.102 0.393 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.521 -0.058 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.231 1.218 -4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.046 -0.439 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.050 -1.125 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.428 0.537 -5.190 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.788 -0.331 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.248 -0.145 -6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.026 -0.249 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.512 -0.462 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.920 -0.428 -9.448 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.404 2.140 -3.482 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.417 2.363 -4.507 1.00 0.00 C ATOM 1011 C LYS A 66 -14.505 3.841 -4.873 1.00 0.00 C ATOM 1012 O LYS A 66 -14.459 4.202 -6.048 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.781 1.865 -4.022 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.737 1.515 -5.149 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.888 0.654 -4.656 1.00 0.00 C ATOM 1016 CE LYS A 66 -19.031 1.503 -4.123 1.00 0.00 C ATOM 1017 NZ LYS A 66 -20.059 0.678 -3.430 1.00 0.00 N ATOM 0 H LYS A 66 -13.775 1.834 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.127 1.803 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.635 0.986 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.237 2.632 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.130 2.430 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.197 0.987 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.249 0.026 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.534 -0.015 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.638 2.249 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.495 2.045 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.821 1.294 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.453 -0.017 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.622 0.180 -2.628 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.629 4.691 -3.858 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.721 6.130 -4.075 1.00 0.00 C ATOM 1033 C GLU A 67 -13.424 6.676 -4.665 1.00 0.00 C ATOM 1034 O GLU A 67 -13.443 7.562 -5.519 1.00 0.00 O ATOM 1035 CB GLU A 67 -15.039 6.847 -2.761 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.308 6.350 -2.088 1.00 0.00 C ATOM 1037 CD GLU A 67 -17.000 7.431 -1.280 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.321 8.093 -0.469 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -18.223 7.613 -1.460 1.00 0.00 O ATOM 0 H GLU A 67 -14.668 4.408 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.527 6.314 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.201 6.720 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.135 7.916 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.994 5.973 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.064 5.512 -1.434 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.300 6.142 -4.202 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.993 6.577 -4.680 1.00 0.00 C ATOM 1048 C TYR A 68 -10.797 6.201 -6.146 1.00 0.00 C ATOM 1049 O TYR A 68 -9.867 6.674 -6.800 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.883 5.956 -3.830 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.491 6.265 -4.332 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.891 5.476 -5.306 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.776 7.348 -3.834 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.619 5.754 -5.767 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.504 7.634 -4.291 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.930 6.834 -5.257 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.663 7.116 -5.715 1.00 0.00 O ATOM 0 H TYR A 68 -12.267 5.407 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.945 7.662 -4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.978 6.314 -2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.019 4.875 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.429 4.631 -5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.222 7.976 -3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.167 5.129 -6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.962 8.480 -3.894 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.412 8.024 -5.445 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.679 5.348 -6.654 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.605 4.909 -8.043 1.00 0.00 C ATOM 1069 C ASP A 69 -12.644 5.630 -8.896 1.00 0.00 C ATOM 1070 O ASP A 69 -12.375 6.003 -10.039 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.813 3.397 -8.134 1.00 0.00 C ATOM 1072 CG ASP A 69 -11.103 2.785 -9.326 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -11.547 3.025 -10.468 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -10.103 2.066 -9.117 1.00 0.00 O ATOM 0 H ASP A 69 -12.453 4.947 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.614 5.155 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.451 2.928 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.880 3.183 -8.201 1.00 0.00 H new ATOM 1079 N THR A 70 -13.834 5.822 -8.335 1.00 0.00 N ATOM 1080 CA THR A 70 -14.914 6.496 -9.045 1.00 0.00 C ATOM 1081 C THR A 70 -14.702 8.005 -9.063 1.00 0.00 C ATOM 1082 O THR A 70 -15.270 8.712 -9.897 1.00 0.00 O ATOM 1083 CB THR A 70 -16.282 6.189 -8.407 1.00 0.00 C ATOM 1084 OG1 THR A 70 -17.325 6.376 -9.371 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.531 7.083 -7.203 1.00 0.00 C ATOM 0 H THR A 70 -14.074 5.520 -7.391 1.00 0.00 H new ATOM 0 HA THR A 70 -14.905 6.118 -10.067 1.00 0.00 H new ATOM 0 HB THR A 70 -16.278 5.151 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.191 6.177 -8.958 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.503 6.847 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.752 6.917 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.517 8.127 -7.516 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.882 8.494 -8.139 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.594 9.922 -8.050 1.00 0.00 C ATOM 1095 C LEU A 71 -12.176 10.222 -8.524 1.00 0.00 C ATOM 1096 O LEU A 71 -11.953 11.155 -9.294 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.778 10.410 -6.612 1.00 0.00 C ATOM 1098 CG LEU A 71 -15.119 10.079 -5.957 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.990 10.091 -4.442 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -16.191 11.060 -6.410 1.00 0.00 C ATOM 0 H LEU A 71 -13.405 7.923 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.293 10.450 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.983 9.984 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.646 11.492 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.416 9.078 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.954 9.853 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.253 9.349 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.670 11.079 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.139 10.809 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.900 12.072 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -16.303 11.002 -7.493 1.00 0.00 H new ATOM 1112 N GLY A 72 -11.221 9.422 -8.060 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.836 9.618 -8.449 1.00 0.00 C ATOM 1114 C GLY A 72 -8.930 9.872 -7.261 1.00 0.00 C ATOM 1115 O GLY A 72 -9.100 9.268 -6.201 1.00 0.00 O ATOM 0 H GLY A 72 -11.381 8.642 -7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.485 8.738 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.771 10.460 -9.138 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.964 10.768 -7.436 1.00 0.00 N ATOM 1120 CA HIS A 73 -7.027 11.101 -6.369 1.00 0.00 C ATOM 1121 C HIS A 73 -7.185 12.557 -5.941 1.00 0.00 C ATOM 1122 O HIS A 73 -7.267 12.859 -4.751 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.590 10.844 -6.825 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.564 11.177 -5.787 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -4.104 10.263 -4.862 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.906 12.332 -5.531 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.209 10.842 -4.082 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -3.070 12.098 -4.467 1.00 0.00 N ATOM 0 H HIS A 73 -7.810 11.277 -8.307 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.248 10.464 -5.513 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.488 9.795 -7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.392 11.431 -7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.018 13.264 -6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.680 10.369 -3.268 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.444 12.782 -4.043 1.00 0.00 H new ATOM 1136 N SER A 74 -7.226 13.455 -6.920 1.00 0.00 N ATOM 1137 CA SER A 74 -7.369 14.880 -6.645 1.00 0.00 C ATOM 1138 C SER A 74 -8.779 15.200 -6.157 1.00 0.00 C ATOM 1139 O SER A 74 -8.978 16.113 -5.357 1.00 0.00 O ATOM 1140 CB SER A 74 -7.053 15.698 -7.898 1.00 0.00 C ATOM 1141 OG SER A 74 -6.714 17.032 -7.565 1.00 0.00 O ATOM 0 H SER A 74 -7.162 13.221 -7.911 1.00 0.00 H new ATOM 0 HA SER A 74 -6.662 15.146 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.229 15.235 -8.440 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.915 15.694 -8.565 1.00 0.00 H new ATOM 0 HG SER A 74 -6.515 17.533 -8.383 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.754 14.440 -6.646 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.145 14.640 -6.259 1.00 0.00 C ATOM 1149 C ALA A 75 -11.467 13.900 -4.965 1.00 0.00 C ATOM 1150 O ALA A 75 -12.003 14.482 -4.022 1.00 0.00 O ATOM 1151 CB ALA A 75 -12.073 14.186 -7.375 1.00 0.00 C ATOM 0 H ALA A 75 -9.606 13.681 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.299 15.705 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.109 14.341 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.868 14.764 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.909 13.128 -7.577 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.137 12.613 -4.928 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.393 11.792 -3.750 1.00 0.00 C ATOM 1159 C PHE A 76 -10.772 12.419 -2.505 1.00 0.00 C ATOM 1160 O PHE A 76 -11.142 12.088 -1.378 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.839 10.381 -3.955 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.787 9.568 -2.693 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.702 9.663 -1.837 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -11.822 8.709 -2.363 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -9.650 8.917 -0.675 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -11.777 7.961 -1.203 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.689 8.064 -0.358 1.00 0.00 C ATOM 0 H PHE A 76 -10.692 12.116 -5.700 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.472 11.733 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.455 9.860 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.835 10.451 -4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.887 10.328 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.674 8.623 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.799 9.001 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.592 7.296 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.651 7.479 0.549 1.00 0.00 H new ATOM 1177 N THR A 77 -9.824 13.326 -2.717 1.00 0.00 N ATOM 1178 CA THR A 77 -9.149 13.998 -1.614 1.00 0.00 C ATOM 1179 C THR A 77 -9.721 15.393 -1.387 1.00 0.00 C ATOM 1180 O THR A 77 -8.984 16.377 -1.343 1.00 0.00 O ATOM 1181 CB THR A 77 -7.634 14.113 -1.868 1.00 0.00 C ATOM 1182 OG1 THR A 77 -7.392 14.895 -3.043 1.00 0.00 O ATOM 1183 CG2 THR A 77 -7.007 12.736 -2.031 1.00 0.00 C ATOM 0 H THR A 77 -9.506 13.612 -3.643 1.00 0.00 H new ATOM 0 HA THR A 77 -9.316 13.390 -0.725 1.00 0.00 H new ATOM 0 HB THR A 77 -7.179 14.602 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.406 14.313 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.937 12.842 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.168 12.153 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.467 12.225 -2.877 1.00 0.00 H new ATOM 1191 N SER A 78 -11.040 15.469 -1.242 1.00 0.00 N ATOM 1192 CA SER A 78 -11.712 16.745 -1.022 1.00 0.00 C ATOM 1193 C SER A 78 -12.686 16.651 0.149 1.00 0.00 C ATOM 1194 O SER A 78 -13.196 15.576 0.462 1.00 0.00 O ATOM 1195 CB SER A 78 -12.456 17.178 -2.286 1.00 0.00 C ATOM 1196 OG SER A 78 -12.863 18.533 -2.200 1.00 0.00 O ATOM 0 H SER A 78 -11.664 14.663 -1.273 1.00 0.00 H new ATOM 0 HA SER A 78 -10.954 17.491 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.812 17.043 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.329 16.542 -2.434 1.00 0.00 H new ATOM 0 HG SER A 78 -13.335 18.786 -3.021 1.00 0.00 H new ATOM 1202 N GLY A 79 -12.940 17.787 0.792 1.00 0.00 N ATOM 1203 CA GLY A 79 -13.852 17.812 1.921 1.00 0.00 C ATOM 1204 C GLY A 79 -13.229 18.432 3.156 1.00 0.00 C ATOM 1205 O GLY A 79 -13.780 19.369 3.735 1.00 0.00 O ATOM 0 H GLY A 79 -12.531 18.690 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.747 18.372 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.170 16.795 2.150 1.00 0.00 H new ATOM 1209 N LYS A 80 -12.077 17.909 3.562 1.00 0.00 N ATOM 1210 CA LYS A 80 -11.378 18.416 4.736 1.00 0.00 C ATOM 1211 C LYS A 80 -10.709 19.753 4.436 1.00 0.00 C ATOM 1212 O LYS A 80 -10.928 20.739 5.139 1.00 0.00 O ATOM 1213 CB LYS A 80 -10.330 17.404 5.207 1.00 0.00 C ATOM 1214 CG LYS A 80 -10.909 16.270 6.036 1.00 0.00 C ATOM 1215 CD LYS A 80 -9.887 15.170 6.267 1.00 0.00 C ATOM 1216 CE LYS A 80 -8.825 15.597 7.268 1.00 0.00 C ATOM 1217 NZ LYS A 80 -9.317 15.509 8.671 1.00 0.00 N ATOM 0 H LYS A 80 -11.608 17.133 3.094 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.112 18.567 5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.825 16.985 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.574 17.924 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.251 16.658 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.781 15.857 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.391 14.274 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.413 14.908 5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.943 14.967 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.516 16.620 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.564 15.808 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.143 16.129 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.588 14.528 8.883 1.00 0.00 H new ATOM 1231 N GLY A 81 -9.894 19.780 3.386 1.00 0.00 N ATOM 1232 CA GLY A 81 -9.207 21.002 3.010 1.00 0.00 C ATOM 1233 C GLY A 81 -8.536 20.898 1.655 1.00 0.00 C ATOM 1234 O GLY A 81 -9.209 20.850 0.626 1.00 0.00 O ATOM 0 H GLY A 81 -9.697 18.977 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.920 21.826 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.458 21.241 3.765 1.00 0.00 H new ATOM 1238 N GLN A 82 -7.208 20.864 1.655 1.00 0.00 N ATOM 1239 CA GLN A 82 -6.447 20.767 0.416 1.00 0.00 C ATOM 1240 C GLN A 82 -5.379 19.682 0.516 1.00 0.00 C ATOM 1241 O GLN A 82 -4.490 19.749 1.365 1.00 0.00 O ATOM 1242 CB GLN A 82 -5.795 22.111 0.086 1.00 0.00 C ATOM 1243 CG GLN A 82 -5.527 22.310 -1.397 1.00 0.00 C ATOM 1244 CD GLN A 82 -4.371 23.255 -1.660 1.00 0.00 C ATOM 1245 OE1 GLN A 82 -3.592 23.566 -0.759 1.00 0.00 O ATOM 1246 NE2 GLN A 82 -4.253 23.716 -2.899 1.00 0.00 N ATOM 0 H GLN A 82 -6.637 20.902 2.499 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.137 20.500 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.440 22.915 0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.854 22.192 0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.314 21.345 -1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.426 22.699 -1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.922 23.432 -3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.494 24.355 -3.135 1.00 0.00 H new ATOM 1255 N SER A 83 -5.473 18.684 -0.357 1.00 0.00 N ATOM 1256 CA SER A 83 -4.518 17.582 -0.364 1.00 0.00 C ATOM 1257 C SER A 83 -3.469 17.780 -1.454 1.00 0.00 C ATOM 1258 O SER A 83 -3.686 18.518 -2.413 1.00 0.00 O ATOM 1259 CB SER A 83 -5.243 16.251 -0.573 1.00 0.00 C ATOM 1260 OG SER A 83 -4.329 15.169 -0.584 1.00 0.00 O ATOM 0 H SER A 83 -6.201 18.616 -1.068 1.00 0.00 H new ATOM 0 HA SER A 83 -4.014 17.564 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.976 16.104 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.793 16.276 -1.514 1.00 0.00 H new ATOM 0 HG SER A 83 -4.817 14.330 -0.717 1.00 0.00 H new ATOM 1266 N GLY A 84 -2.329 17.113 -1.298 1.00 0.00 N ATOM 1267 CA GLY A 84 -1.263 17.228 -2.275 1.00 0.00 C ATOM 1268 C GLY A 84 0.091 17.452 -1.632 1.00 0.00 C ATOM 1269 O GLY A 84 0.564 18.582 -1.509 1.00 0.00 O ATOM 0 H GLY A 84 -2.125 16.495 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.229 16.322 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.482 18.054 -2.951 1.00 0.00 H new ATOM 1273 N PRO A 85 0.738 16.356 -1.207 1.00 0.00 N ATOM 1274 CA PRO A 85 2.054 16.413 -0.564 1.00 0.00 C ATOM 1275 C PRO A 85 3.159 16.806 -1.539 1.00 0.00 C ATOM 1276 O PRO A 85 3.140 16.410 -2.705 1.00 0.00 O ATOM 1277 CB PRO A 85 2.267 14.982 -0.064 1.00 0.00 C ATOM 1278 CG PRO A 85 1.428 14.139 -0.961 1.00 0.00 C ATOM 1279 CD PRO A 85 0.234 14.978 -1.321 1.00 0.00 C ATOM 0 HA PRO A 85 2.090 17.165 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.317 14.695 -0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.962 14.877 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.982 13.847 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.123 13.220 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.120 14.762 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.602 14.799 -0.645 1.00 0.00 H new ATOM 1287 N SER A 86 4.120 17.586 -1.055 1.00 0.00 N ATOM 1288 CA SER A 86 5.231 18.035 -1.885 1.00 0.00 C ATOM 1289 C SER A 86 6.299 16.951 -1.996 1.00 0.00 C ATOM 1290 O SER A 86 7.015 16.669 -1.035 1.00 0.00 O ATOM 1291 CB SER A 86 5.843 19.313 -1.308 1.00 0.00 C ATOM 1292 OG SER A 86 4.840 20.268 -1.009 1.00 0.00 O ATOM 0 H SER A 86 4.151 17.920 -0.092 1.00 0.00 H new ATOM 0 HA SER A 86 4.845 18.244 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.404 19.075 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.551 19.735 -2.021 1.00 0.00 H new ATOM 0 HG SER A 86 5.256 21.075 -0.640 1.00 0.00 H new ATOM 1298 N SER A 87 6.400 16.347 -3.175 1.00 0.00 N ATOM 1299 CA SER A 87 7.378 15.291 -3.412 1.00 0.00 C ATOM 1300 C SER A 87 7.584 14.450 -2.156 1.00 0.00 C ATOM 1301 O SER A 87 8.714 14.136 -1.784 1.00 0.00 O ATOM 1302 CB SER A 87 8.711 15.892 -3.862 1.00 0.00 C ATOM 1303 OG SER A 87 8.578 16.550 -5.110 1.00 0.00 O ATOM 0 H SER A 87 5.817 16.570 -3.981 1.00 0.00 H new ATOM 0 HA SER A 87 6.994 14.645 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.067 16.598 -3.111 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.461 15.105 -3.940 1.00 0.00 H new ATOM 0 HG SER A 87 9.443 16.927 -5.375 1.00 0.00 H new ATOM 1309 N GLY A 88 6.482 14.089 -1.505 1.00 0.00 N ATOM 1310 CA GLY A 88 6.563 13.289 -0.297 1.00 0.00 C ATOM 1311 C GLY A 88 7.656 12.241 -0.368 1.00 0.00 C ATOM 1312 O GLY A 88 8.764 12.456 0.122 1.00 0.00 O ATOM 0 H GLY A 88 5.535 14.336 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.745 13.942 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.605 12.799 -0.124 1.00 0.00 H new TER 1316 GLY A 88