USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 729 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 12 SER OG : rot -59:sc= 0.0929 USER MOD Set 1.2: A 96 SER OG : rot -137:sc= 0.0778 USER MOD Set 2.1: A 72 SER OG : rot -87:sc= 0.549 USER MOD Set 2.2: A 73 CYS SG : rot 176:sc= -2.1! USER MOD Set 3.1: A 53 LYS NZ :NH3+ -158:sc=-0.00146 (180deg=-0.564) USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= -0.823 USER MOD Set 4.1: A 46 GLN : amide:sc= -6.35! C(o=-7.8!,f=-0.79!) USER MOD Set 4.2: A 52 SER OG : rot 120:sc= -1.4 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0594 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 8 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 149:sc= 1.05 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.11) USER MOD Single : A 24 SER OG : rot 114:sc= -0.779 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -3.51 K(o=-3.5,f=-15!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0838 X(o=-0.084,f=-0.084) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00435 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.87 X(o=-1.9,f=-1.7!) USER MOD Single : A 74 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.73) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 93 SER OG : rot -107:sc= 0.148 USER MOD Single : A 95 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.55) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.955 5.009 17.385 1.00 0.00 N ATOM 2 CA GLY A 1 -16.520 5.027 16.049 1.00 0.00 C ATOM 3 C GLY A 1 -15.606 4.385 15.024 1.00 0.00 C ATOM 4 O GLY A 1 -14.431 4.737 14.924 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.618 5.459 18.048 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.787 4.025 17.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.055 5.530 17.388 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.477 4.505 16.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.721 6.058 15.757 1.00 0.00 H new ATOM 8 N SER A 2 -16.146 3.440 14.261 1.00 0.00 N ATOM 9 CA SER A 2 -15.369 2.744 13.243 1.00 0.00 C ATOM 10 C SER A 2 -16.036 2.863 11.875 1.00 0.00 C ATOM 11 O SER A 2 -15.419 3.311 10.909 1.00 0.00 O ATOM 12 CB SER A 2 -15.205 1.269 13.616 1.00 0.00 C ATOM 13 OG SER A 2 -16.460 0.668 13.882 1.00 0.00 O ATOM 0 H SER A 2 -17.118 3.139 14.329 1.00 0.00 H new ATOM 0 HA SER A 2 -14.385 3.210 13.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.709 0.738 12.803 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.563 1.181 14.493 1.00 0.00 H new ATOM 0 HG SER A 2 -16.328 -0.274 14.116 1.00 0.00 H new ATOM 19 N SER A 3 -17.300 2.458 11.803 1.00 0.00 N ATOM 20 CA SER A 3 -18.050 2.515 10.554 1.00 0.00 C ATOM 21 C SER A 3 -18.084 3.939 10.005 1.00 0.00 C ATOM 22 O SER A 3 -18.342 4.892 10.738 1.00 0.00 O ATOM 23 CB SER A 3 -19.476 2.005 10.767 1.00 0.00 C ATOM 24 OG SER A 3 -19.483 0.618 11.061 1.00 0.00 O ATOM 0 H SER A 3 -17.826 2.087 12.594 1.00 0.00 H new ATOM 0 HA SER A 3 -17.548 1.876 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.944 2.555 11.583 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.070 2.193 9.873 1.00 0.00 H new ATOM 0 HG SER A 3 -20.406 0.317 11.195 1.00 0.00 H new ATOM 30 N GLY A 4 -17.821 4.073 8.709 1.00 0.00 N ATOM 31 CA GLY A 4 -17.826 5.382 8.083 1.00 0.00 C ATOM 32 C GLY A 4 -16.680 6.255 8.555 1.00 0.00 C ATOM 33 O GLY A 4 -15.513 5.894 8.405 1.00 0.00 O ATOM 0 H GLY A 4 -17.605 3.299 8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.767 5.264 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.771 5.881 8.298 1.00 0.00 H new ATOM 37 N SER A 5 -17.013 7.409 9.126 1.00 0.00 N ATOM 38 CA SER A 5 -16.003 8.338 9.617 1.00 0.00 C ATOM 39 C SER A 5 -15.127 8.842 8.474 1.00 0.00 C ATOM 40 O SER A 5 -13.908 8.948 8.611 1.00 0.00 O ATOM 41 CB SER A 5 -15.134 7.666 10.682 1.00 0.00 C ATOM 42 OG SER A 5 -14.570 8.624 11.560 1.00 0.00 O ATOM 0 H SER A 5 -17.975 7.722 9.260 1.00 0.00 H new ATOM 0 HA SER A 5 -16.516 9.190 10.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.735 6.956 11.251 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.339 7.097 10.201 1.00 0.00 H new ATOM 0 HG SER A 5 -14.021 8.169 12.232 1.00 0.00 H new ATOM 48 N SER A 6 -15.758 9.151 7.345 1.00 0.00 N ATOM 49 CA SER A 6 -15.037 9.640 6.176 1.00 0.00 C ATOM 50 C SER A 6 -15.599 10.980 5.712 1.00 0.00 C ATOM 51 O SER A 6 -16.812 11.188 5.706 1.00 0.00 O ATOM 52 CB SER A 6 -15.115 8.620 5.038 1.00 0.00 C ATOM 53 OG SER A 6 -14.452 9.095 3.880 1.00 0.00 O ATOM 0 H SER A 6 -16.767 9.071 7.216 1.00 0.00 H new ATOM 0 HA SER A 6 -13.993 9.781 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.666 7.679 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.159 8.412 4.803 1.00 0.00 H new ATOM 0 HG SER A 6 -14.515 8.424 3.169 1.00 0.00 H new ATOM 59 N GLY A 7 -14.708 11.886 5.322 1.00 0.00 N ATOM 60 CA GLY A 7 -15.133 13.195 4.862 1.00 0.00 C ATOM 61 C GLY A 7 -14.878 13.400 3.382 1.00 0.00 C ATOM 62 O GLY A 7 -13.737 13.584 2.961 1.00 0.00 O ATOM 0 H GLY A 7 -13.699 11.737 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.197 13.321 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.607 13.964 5.428 1.00 0.00 H new ATOM 66 N ASN A 8 -15.944 13.367 2.589 1.00 0.00 N ATOM 67 CA ASN A 8 -15.830 13.548 1.146 1.00 0.00 C ATOM 68 C ASN A 8 -15.039 14.811 0.818 1.00 0.00 C ATOM 69 O ASN A 8 -14.124 14.786 -0.005 1.00 0.00 O ATOM 70 CB ASN A 8 -17.219 13.623 0.509 1.00 0.00 C ATOM 71 CG ASN A 8 -17.802 12.251 0.231 1.00 0.00 C ATOM 72 OD1 ASN A 8 -17.160 11.406 -0.394 1.00 0.00 O ATOM 73 ND2 ASN A 8 -19.025 12.022 0.695 1.00 0.00 N ATOM 0 H ASN A 8 -16.897 13.217 2.921 1.00 0.00 H new ATOM 0 HA ASN A 8 -15.297 12.690 0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.890 14.173 1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.158 14.185 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.469 11.117 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.521 12.751 1.208 1.00 0.00 H new ATOM 80 N SER A 9 -15.399 15.913 1.467 1.00 0.00 N ATOM 81 CA SER A 9 -14.725 17.187 1.242 1.00 0.00 C ATOM 82 C SER A 9 -13.387 17.231 1.975 1.00 0.00 C ATOM 83 O SER A 9 -13.227 16.629 3.038 1.00 0.00 O ATOM 84 CB SER A 9 -15.611 18.345 1.705 1.00 0.00 C ATOM 85 OG SER A 9 -14.878 19.557 1.761 1.00 0.00 O ATOM 0 H SER A 9 -16.153 15.950 2.153 1.00 0.00 H new ATOM 0 HA SER A 9 -14.537 17.287 0.173 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.454 18.457 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.024 18.120 2.688 1.00 0.00 H new ATOM 0 HG SER A 9 -15.467 20.282 2.058 1.00 0.00 H new ATOM 91 N THR A 10 -12.427 17.948 1.399 1.00 0.00 N ATOM 92 CA THR A 10 -11.103 18.070 1.995 1.00 0.00 C ATOM 93 C THR A 10 -11.193 18.528 3.446 1.00 0.00 C ATOM 94 O THR A 10 -12.286 18.700 3.985 1.00 0.00 O ATOM 95 CB THR A 10 -10.223 19.062 1.209 1.00 0.00 C ATOM 96 OG1 THR A 10 -10.923 20.298 1.026 1.00 0.00 O ATOM 97 CG2 THR A 10 -9.836 18.487 -0.145 1.00 0.00 C ATOM 0 H THR A 10 -12.542 18.453 0.520 1.00 0.00 H new ATOM 0 HA THR A 10 -10.647 17.081 1.957 1.00 0.00 H new ATOM 0 HB THR A 10 -9.314 19.241 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.357 20.924 0.527 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.215 19.205 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.279 17.561 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.736 18.282 -0.724 1.00 0.00 H new ATOM 105 N TRP A 11 -10.039 18.723 4.072 1.00 0.00 N ATOM 106 CA TRP A 11 -9.988 19.162 5.462 1.00 0.00 C ATOM 107 C TRP A 11 -8.961 20.274 5.645 1.00 0.00 C ATOM 108 O TRP A 11 -8.321 20.374 6.692 1.00 0.00 O ATOM 109 CB TRP A 11 -9.652 17.984 6.378 1.00 0.00 C ATOM 110 CG TRP A 11 -8.179 17.780 6.568 1.00 0.00 C ATOM 111 CD1 TRP A 11 -7.458 18.018 7.703 1.00 0.00 C ATOM 112 CD2 TRP A 11 -7.248 17.300 5.592 1.00 0.00 C ATOM 113 NE1 TRP A 11 -6.135 17.714 7.492 1.00 0.00 N ATOM 114 CE2 TRP A 11 -5.980 17.270 6.205 1.00 0.00 C ATOM 115 CE3 TRP A 11 -7.362 16.889 4.261 1.00 0.00 C ATOM 116 CZ2 TRP A 11 -4.837 16.848 5.531 1.00 0.00 C ATOM 117 CZ3 TRP A 11 -6.227 16.470 3.594 1.00 0.00 C ATOM 118 CH2 TRP A 11 -4.978 16.451 4.229 1.00 0.00 C ATOM 0 H TRP A 11 -9.126 18.584 3.640 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.970 19.553 5.730 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.118 18.145 7.350 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.087 17.075 5.963 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.868 18.390 8.630 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.389 17.804 8.182 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.320 16.899 3.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.873 16.834 6.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.304 16.151 2.565 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.110 16.117 3.680 1.00 0.00 H new ATOM 129 N SER A 12 -8.808 21.107 4.621 1.00 0.00 N ATOM 130 CA SER A 12 -7.855 22.210 4.668 1.00 0.00 C ATOM 131 C SER A 12 -6.579 21.794 5.394 1.00 0.00 C ATOM 132 O SER A 12 -6.101 22.496 6.284 1.00 0.00 O ATOM 133 CB SER A 12 -8.479 23.421 5.363 1.00 0.00 C ATOM 134 OG SER A 12 -7.758 24.605 5.069 1.00 0.00 O ATOM 0 H SER A 12 -9.332 21.039 3.748 1.00 0.00 H new ATOM 0 HA SER A 12 -7.598 22.480 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.515 23.534 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.493 23.258 6.441 1.00 0.00 H new ATOM 0 HG SER A 12 -6.829 24.504 5.364 1.00 0.00 H new ATOM 140 N GLY A 13 -6.032 20.646 5.006 1.00 0.00 N ATOM 141 CA GLY A 13 -4.816 20.156 5.630 1.00 0.00 C ATOM 142 C GLY A 13 -3.961 19.346 4.675 1.00 0.00 C ATOM 143 O GLY A 13 -4.439 18.895 3.635 1.00 0.00 O ATOM 0 H GLY A 13 -6.409 20.047 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.237 21.001 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.076 19.541 6.492 1.00 0.00 H new ATOM 147 N GLU A 14 -2.693 19.164 5.029 1.00 0.00 N ATOM 148 CA GLU A 14 -1.769 18.406 4.194 1.00 0.00 C ATOM 149 C GLU A 14 -1.166 17.239 4.970 1.00 0.00 C ATOM 150 O GLU A 14 -0.344 17.433 5.866 1.00 0.00 O ATOM 151 CB GLU A 14 -0.654 19.315 3.672 1.00 0.00 C ATOM 152 CG GLU A 14 0.276 19.823 4.760 1.00 0.00 C ATOM 153 CD GLU A 14 1.069 21.042 4.328 1.00 0.00 C ATOM 154 OE1 GLU A 14 0.477 21.941 3.695 1.00 0.00 O ATOM 155 OE2 GLU A 14 2.281 21.096 4.624 1.00 0.00 O ATOM 0 H GLU A 14 -2.282 19.531 5.888 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.329 18.007 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.069 18.770 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.101 20.167 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.309 20.070 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.965 19.028 5.044 1.00 0.00 H new ATOM 162 N SER A 15 -1.582 16.025 4.621 1.00 0.00 N ATOM 163 CA SER A 15 -1.088 14.826 5.287 1.00 0.00 C ATOM 164 C SER A 15 -0.413 13.890 4.290 1.00 0.00 C ATOM 165 O SER A 15 -1.053 13.371 3.375 1.00 0.00 O ATOM 166 CB SER A 15 -2.234 14.099 5.992 1.00 0.00 C ATOM 167 OG SER A 15 -1.753 13.007 6.756 1.00 0.00 O ATOM 0 H SER A 15 -2.260 15.846 3.880 1.00 0.00 H new ATOM 0 HA SER A 15 -0.350 15.131 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.765 14.795 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.951 13.742 5.253 1.00 0.00 H new ATOM 0 HG SER A 15 -2.333 12.871 7.534 1.00 0.00 H new ATOM 173 N LYS A 16 0.886 13.678 4.473 1.00 0.00 N ATOM 174 CA LYS A 16 1.650 12.803 3.591 1.00 0.00 C ATOM 175 C LYS A 16 1.555 11.351 4.049 1.00 0.00 C ATOM 176 O LYS A 16 1.911 10.431 3.311 1.00 0.00 O ATOM 177 CB LYS A 16 3.116 13.241 3.551 1.00 0.00 C ATOM 178 CG LYS A 16 3.925 12.770 4.747 1.00 0.00 C ATOM 179 CD LYS A 16 5.262 13.486 4.833 1.00 0.00 C ATOM 180 CE LYS A 16 5.806 13.484 6.254 1.00 0.00 C ATOM 181 NZ LYS A 16 6.984 14.382 6.398 1.00 0.00 N ATOM 0 H LYS A 16 1.432 14.100 5.224 1.00 0.00 H new ATOM 0 HA LYS A 16 1.226 12.878 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.576 12.859 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.160 14.329 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.359 12.944 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.091 11.695 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.978 13.003 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.148 14.513 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.023 13.799 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.087 12.469 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.325 14.353 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.741 14.066 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.710 15.356 6.156 1.00 0.00 H new ATOM 195 N THR A 17 1.070 11.151 5.271 1.00 0.00 N ATOM 196 CA THR A 17 0.928 9.811 5.827 1.00 0.00 C ATOM 197 C THR A 17 -0.431 9.213 5.478 1.00 0.00 C ATOM 198 O THR A 17 -1.473 9.754 5.850 1.00 0.00 O ATOM 199 CB THR A 17 1.095 9.817 7.358 1.00 0.00 C ATOM 200 OG1 THR A 17 2.405 10.281 7.705 1.00 0.00 O ATOM 201 CG2 THR A 17 0.876 8.426 7.932 1.00 0.00 C ATOM 0 H THR A 17 0.769 11.900 5.894 1.00 0.00 H new ATOM 0 HA THR A 17 1.716 9.200 5.386 1.00 0.00 H new ATOM 0 HB THR A 17 0.348 10.488 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.503 10.284 8.680 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.999 8.456 9.015 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.132 8.087 7.691 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.603 7.737 7.503 1.00 0.00 H new ATOM 209 N LEU A 18 -0.413 8.094 4.762 1.00 0.00 N ATOM 210 CA LEU A 18 -1.644 7.422 4.364 1.00 0.00 C ATOM 211 C LEU A 18 -1.967 6.270 5.311 1.00 0.00 C ATOM 212 O LEU A 18 -1.077 5.530 5.731 1.00 0.00 O ATOM 213 CB LEU A 18 -1.523 6.900 2.931 1.00 0.00 C ATOM 214 CG LEU A 18 -0.974 7.888 1.901 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.838 7.222 0.541 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.870 9.115 1.809 1.00 0.00 C ATOM 0 H LEU A 18 0.440 7.633 4.446 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.456 8.147 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.880 6.020 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.509 6.572 2.601 1.00 0.00 H new ATOM 0 HG LEU A 18 0.016 8.209 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.446 7.941 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.155 6.376 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.815 6.872 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.464 9.807 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.873 8.811 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.915 9.606 2.781 1.00 0.00 H new ATOM 228 N VAL A 19 -3.246 6.123 5.642 1.00 0.00 N ATOM 229 CA VAL A 19 -3.686 5.059 6.536 1.00 0.00 C ATOM 230 C VAL A 19 -4.408 3.958 5.767 1.00 0.00 C ATOM 231 O VAL A 19 -5.417 4.207 5.105 1.00 0.00 O ATOM 232 CB VAL A 19 -4.621 5.600 7.634 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.811 4.565 8.732 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.075 6.900 8.205 1.00 0.00 C ATOM 0 H VAL A 19 -3.995 6.727 5.304 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.791 4.646 7.001 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.595 5.805 7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.474 4.965 9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.250 3.661 8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.845 4.325 9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.748 7.268 8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.089 6.723 8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.996 7.642 7.410 1.00 0.00 H new ATOM 244 N LEU A 20 -3.886 2.740 5.858 1.00 0.00 N ATOM 245 CA LEU A 20 -4.481 1.599 5.171 1.00 0.00 C ATOM 246 C LEU A 20 -5.457 0.863 6.083 1.00 0.00 C ATOM 247 O LEU A 20 -5.217 0.723 7.282 1.00 0.00 O ATOM 248 CB LEU A 20 -3.388 0.640 4.695 1.00 0.00 C ATOM 249 CG LEU A 20 -3.834 -0.456 3.726 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.692 -0.847 2.800 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.342 -1.670 4.490 1.00 0.00 C ATOM 0 H LEU A 20 -3.052 2.517 6.401 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.031 1.972 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.603 1.225 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.943 0.165 5.569 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.651 -0.066 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.028 -1.628 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.374 0.024 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.855 -1.217 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.655 -2.439 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.546 -2.061 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.190 -1.381 5.111 1.00 0.00 H new ATOM 263 N SER A 21 -6.559 0.394 5.505 1.00 0.00 N ATOM 264 CA SER A 21 -7.573 -0.327 6.266 1.00 0.00 C ATOM 265 C SER A 21 -7.905 -1.660 5.602 1.00 0.00 C ATOM 266 O SER A 21 -7.947 -1.762 4.377 1.00 0.00 O ATOM 267 CB SER A 21 -8.840 0.521 6.397 1.00 0.00 C ATOM 268 OG SER A 21 -8.744 1.416 7.491 1.00 0.00 O ATOM 0 H SER A 21 -6.772 0.500 4.513 1.00 0.00 H new ATOM 0 HA SER A 21 -7.173 -0.527 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.002 1.083 5.477 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.704 -0.129 6.530 1.00 0.00 H new ATOM 0 HG SER A 21 -9.565 1.947 7.552 1.00 0.00 H new ATOM 274 N ASN A 22 -8.140 -2.679 6.422 1.00 0.00 N ATOM 275 CA ASN A 22 -8.468 -4.007 5.915 1.00 0.00 C ATOM 276 C ASN A 22 -7.227 -4.700 5.362 1.00 0.00 C ATOM 277 O ASN A 22 -7.276 -5.338 4.309 1.00 0.00 O ATOM 278 CB ASN A 22 -9.540 -3.910 4.827 1.00 0.00 C ATOM 279 CG ASN A 22 -10.241 -5.233 4.588 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.137 -5.619 5.339 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.837 -5.935 3.536 1.00 0.00 N ATOM 0 H ASN A 22 -8.110 -2.611 7.439 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.854 -4.600 6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.276 -3.158 5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.081 -3.572 3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.273 -6.832 3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.091 -5.577 2.940 1.00 0.00 H new ATOM 288 N LEU A 23 -6.116 -4.571 6.078 1.00 0.00 N ATOM 289 CA LEU A 23 -4.860 -5.186 5.660 1.00 0.00 C ATOM 290 C LEU A 23 -4.865 -6.684 5.947 1.00 0.00 C ATOM 291 O LEU A 23 -5.092 -7.108 7.080 1.00 0.00 O ATOM 292 CB LEU A 23 -3.682 -4.522 6.374 1.00 0.00 C ATOM 293 CG LEU A 23 -2.319 -4.664 5.696 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.254 -3.905 6.472 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.940 -6.132 5.563 1.00 0.00 C ATOM 0 H LEU A 23 -6.059 -4.046 6.951 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.753 -5.041 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.902 -3.460 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.611 -4.938 7.379 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.386 -4.234 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.291 -4.018 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.519 -2.848 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.188 -4.304 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.967 -6.214 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.892 -6.586 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.689 -6.648 4.963 1.00 0.00 H new ATOM 307 N SER A 24 -4.611 -7.480 4.914 1.00 0.00 N ATOM 308 CA SER A 24 -4.588 -8.931 5.055 1.00 0.00 C ATOM 309 C SER A 24 -3.384 -9.378 5.879 1.00 0.00 C ATOM 310 O SER A 24 -2.276 -8.870 5.705 1.00 0.00 O ATOM 311 CB SER A 24 -4.553 -9.598 3.678 1.00 0.00 C ATOM 312 OG SER A 24 -5.214 -8.802 2.710 1.00 0.00 O ATOM 0 H SER A 24 -4.418 -7.145 3.970 1.00 0.00 H new ATOM 0 HA SER A 24 -5.496 -9.235 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.519 -9.761 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.027 -10.578 3.733 1.00 0.00 H new ATOM 0 HG SER A 24 -4.564 -8.483 2.050 1.00 0.00 H new ATOM 318 N TYR A 25 -3.610 -10.330 6.776 1.00 0.00 N ATOM 319 CA TYR A 25 -2.546 -10.845 7.630 1.00 0.00 C ATOM 320 C TYR A 25 -1.370 -11.342 6.795 1.00 0.00 C ATOM 321 O TYR A 25 -0.212 -11.211 7.192 1.00 0.00 O ATOM 322 CB TYR A 25 -3.073 -11.977 8.513 1.00 0.00 C ATOM 323 CG TYR A 25 -4.540 -11.844 8.856 1.00 0.00 C ATOM 324 CD1 TYR A 25 -5.003 -10.771 9.607 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.462 -12.792 8.430 1.00 0.00 C ATOM 326 CE1 TYR A 25 -6.342 -10.645 9.923 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.803 -12.674 8.740 1.00 0.00 C ATOM 328 CZ TYR A 25 -7.238 -11.599 9.487 1.00 0.00 C ATOM 329 OH TYR A 25 -8.573 -11.479 9.800 1.00 0.00 O ATOM 0 H TYR A 25 -4.521 -10.762 6.931 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.199 -10.030 8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.912 -12.928 8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.494 -12.006 9.436 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.304 -10.022 9.950 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.124 -13.636 7.846 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.685 -9.805 10.508 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.507 -13.419 8.399 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.068 -12.233 9.416 1.00 0.00 H new ATOM 339 N SER A 26 -1.676 -11.913 5.634 1.00 0.00 N ATOM 340 CA SER A 26 -0.646 -12.433 4.743 1.00 0.00 C ATOM 341 C SER A 26 0.142 -11.295 4.101 1.00 0.00 C ATOM 342 O SER A 26 1.253 -11.495 3.610 1.00 0.00 O ATOM 343 CB SER A 26 -1.276 -13.308 3.657 1.00 0.00 C ATOM 344 OG SER A 26 -0.387 -14.333 3.249 1.00 0.00 O ATOM 0 H SER A 26 -2.629 -12.027 5.289 1.00 0.00 H new ATOM 0 HA SER A 26 0.040 -13.038 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.199 -13.751 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.544 -12.692 2.799 1.00 0.00 H new ATOM 0 HG SER A 26 -0.813 -14.879 2.556 1.00 0.00 H new ATOM 350 N ALA A 27 -0.441 -10.101 4.109 1.00 0.00 N ATOM 351 CA ALA A 27 0.206 -8.930 3.531 1.00 0.00 C ATOM 352 C ALA A 27 1.262 -8.364 4.474 1.00 0.00 C ATOM 353 O ALA A 27 1.029 -8.230 5.676 1.00 0.00 O ATOM 354 CB ALA A 27 -0.829 -7.867 3.195 1.00 0.00 C ATOM 0 H ALA A 27 -1.361 -9.919 4.510 1.00 0.00 H new ATOM 0 HA ALA A 27 0.705 -9.238 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.332 -6.998 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.544 -8.269 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.355 -7.571 4.103 1.00 0.00 H new ATOM 360 N THR A 28 2.426 -8.034 3.923 1.00 0.00 N ATOM 361 CA THR A 28 3.519 -7.484 4.715 1.00 0.00 C ATOM 362 C THR A 28 4.176 -6.307 4.004 1.00 0.00 C ATOM 363 O THR A 28 3.932 -6.071 2.821 1.00 0.00 O ATOM 364 CB THR A 28 4.588 -8.552 5.014 1.00 0.00 C ATOM 365 OG1 THR A 28 5.255 -8.929 3.804 1.00 0.00 O ATOM 366 CG2 THR A 28 3.963 -9.780 5.658 1.00 0.00 C ATOM 0 H THR A 28 2.636 -8.138 2.930 1.00 0.00 H new ATOM 0 HA THR A 28 3.087 -7.140 5.655 1.00 0.00 H new ATOM 0 HB THR A 28 5.311 -8.126 5.710 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.934 -9.607 4.002 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.738 -10.520 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.482 -9.495 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.221 -10.207 4.983 1.00 0.00 H new ATOM 374 N GLU A 29 5.012 -5.573 4.732 1.00 0.00 N ATOM 375 CA GLU A 29 5.704 -4.420 4.168 1.00 0.00 C ATOM 376 C GLU A 29 6.247 -4.738 2.778 1.00 0.00 C ATOM 377 O GLU A 29 6.334 -3.860 1.920 1.00 0.00 O ATOM 378 CB GLU A 29 6.848 -3.985 5.087 1.00 0.00 C ATOM 379 CG GLU A 29 6.404 -3.678 6.507 1.00 0.00 C ATOM 380 CD GLU A 29 6.461 -4.894 7.412 1.00 0.00 C ATOM 381 OE1 GLU A 29 6.566 -6.021 6.886 1.00 0.00 O ATOM 382 OE2 GLU A 29 6.402 -4.717 8.647 1.00 0.00 O ATOM 0 H GLU A 29 5.226 -5.756 5.712 1.00 0.00 H new ATOM 0 HA GLU A 29 4.986 -3.604 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.601 -4.772 5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.325 -3.101 4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.037 -2.893 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.385 -3.290 6.489 1.00 0.00 H new ATOM 389 N GLU A 30 6.611 -5.999 2.565 1.00 0.00 N ATOM 390 CA GLU A 30 7.147 -6.431 1.279 1.00 0.00 C ATOM 391 C GLU A 30 6.127 -6.215 0.164 1.00 0.00 C ATOM 392 O GLU A 30 6.455 -5.690 -0.900 1.00 0.00 O ATOM 393 CB GLU A 30 7.548 -7.907 1.340 1.00 0.00 C ATOM 394 CG GLU A 30 8.999 -8.127 1.731 1.00 0.00 C ATOM 395 CD GLU A 30 9.941 -8.048 0.545 1.00 0.00 C ATOM 396 OE1 GLU A 30 9.629 -8.651 -0.503 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.991 -7.382 0.666 1.00 0.00 O ATOM 0 H GLU A 30 6.545 -6.738 3.265 1.00 0.00 H new ATOM 0 HA GLU A 30 8.030 -5.830 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.906 -8.420 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.369 -8.364 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.289 -7.381 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.100 -9.103 2.206 1.00 0.00 H new ATOM 404 N THR A 31 4.888 -6.625 0.416 1.00 0.00 N ATOM 405 CA THR A 31 3.820 -6.479 -0.565 1.00 0.00 C ATOM 406 C THR A 31 3.456 -5.012 -0.767 1.00 0.00 C ATOM 407 O THR A 31 3.262 -4.560 -1.896 1.00 0.00 O ATOM 408 CB THR A 31 2.559 -7.256 -0.144 1.00 0.00 C ATOM 409 OG1 THR A 31 2.911 -8.592 0.235 1.00 0.00 O ATOM 410 CG2 THR A 31 1.544 -7.295 -1.276 1.00 0.00 C ATOM 0 H THR A 31 4.599 -7.061 1.292 1.00 0.00 H new ATOM 0 HA THR A 31 4.194 -6.890 -1.502 1.00 0.00 H new ATOM 0 HB THR A 31 2.110 -6.744 0.707 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.104 -9.079 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.662 -7.849 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.257 -6.278 -1.542 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.985 -7.786 -2.143 1.00 0.00 H new ATOM 418 N LEU A 32 3.365 -4.274 0.334 1.00 0.00 N ATOM 419 CA LEU A 32 3.024 -2.857 0.278 1.00 0.00 C ATOM 420 C LEU A 32 4.058 -2.079 -0.531 1.00 0.00 C ATOM 421 O LEU A 32 3.707 -1.254 -1.374 1.00 0.00 O ATOM 422 CB LEU A 32 2.927 -2.279 1.691 1.00 0.00 C ATOM 423 CG LEU A 32 2.049 -3.055 2.674 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.063 -2.390 4.042 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.626 -3.165 2.147 1.00 0.00 C ATOM 0 H LEU A 32 3.522 -4.633 1.276 1.00 0.00 H new ATOM 0 HA LEU A 32 2.057 -2.761 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.933 -2.215 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.546 -1.260 1.620 1.00 0.00 H new ATOM 0 HG LEU A 32 2.455 -4.061 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.433 -2.956 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.084 -2.365 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.682 -1.372 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.016 -3.720 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.209 -2.167 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.632 -3.687 1.190 1.00 0.00 H new ATOM 437 N GLN A 33 5.332 -2.351 -0.269 1.00 0.00 N ATOM 438 CA GLN A 33 6.417 -1.678 -0.975 1.00 0.00 C ATOM 439 C GLN A 33 6.234 -1.787 -2.485 1.00 0.00 C ATOM 440 O GLN A 33 6.786 -0.992 -3.245 1.00 0.00 O ATOM 441 CB GLN A 33 7.765 -2.274 -0.568 1.00 0.00 C ATOM 442 CG GLN A 33 8.263 -1.787 0.784 1.00 0.00 C ATOM 443 CD GLN A 33 8.475 -0.286 0.821 1.00 0.00 C ATOM 444 OE1 GLN A 33 8.116 0.380 1.792 1.00 0.00 O ATOM 445 NE2 GLN A 33 9.063 0.256 -0.240 1.00 0.00 N ATOM 0 H GLN A 33 5.639 -3.032 0.426 1.00 0.00 H new ATOM 0 HA GLN A 33 6.397 -0.623 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.680 -3.360 -0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.506 -2.028 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.545 -2.068 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.200 -2.289 1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.345 -0.333 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.233 1.261 -0.271 1.00 0.00 H new ATOM 454 N GLU A 34 5.456 -2.777 -2.912 1.00 0.00 N ATOM 455 CA GLU A 34 5.203 -2.990 -4.332 1.00 0.00 C ATOM 456 C GLU A 34 4.083 -2.079 -4.828 1.00 0.00 C ATOM 457 O GLU A 34 4.167 -1.510 -5.916 1.00 0.00 O ATOM 458 CB GLU A 34 4.838 -4.453 -4.594 1.00 0.00 C ATOM 459 CG GLU A 34 5.913 -5.435 -4.160 1.00 0.00 C ATOM 460 CD GLU A 34 7.155 -5.362 -5.027 1.00 0.00 C ATOM 461 OE1 GLU A 34 7.824 -4.308 -5.019 1.00 0.00 O ATOM 462 OE2 GLU A 34 7.457 -6.360 -5.715 1.00 0.00 O ATOM 0 H GLU A 34 4.991 -3.443 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 34 6.115 -2.747 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.911 -4.687 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.645 -4.586 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.186 -5.235 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.510 -6.447 -4.194 1.00 0.00 H new ATOM 469 N VAL A 35 3.035 -1.947 -4.021 1.00 0.00 N ATOM 470 CA VAL A 35 1.899 -1.105 -4.376 1.00 0.00 C ATOM 471 C VAL A 35 2.279 0.371 -4.350 1.00 0.00 C ATOM 472 O VAL A 35 1.905 1.135 -5.240 1.00 0.00 O ATOM 473 CB VAL A 35 0.711 -1.335 -3.422 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.477 -0.477 -3.832 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.330 -2.808 -3.392 1.00 0.00 C ATOM 0 H VAL A 35 2.949 -2.412 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 35 1.603 -1.383 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 35 1.012 -1.040 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.306 -0.653 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.195 0.575 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.782 -0.738 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.511 -2.953 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.047 -3.131 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.180 -3.397 -3.047 1.00 0.00 H new ATOM 485 N PHE A 36 3.024 0.766 -3.323 1.00 0.00 N ATOM 486 CA PHE A 36 3.455 2.152 -3.180 1.00 0.00 C ATOM 487 C PHE A 36 4.959 2.279 -3.403 1.00 0.00 C ATOM 488 O PHE A 36 5.758 1.883 -2.555 1.00 0.00 O ATOM 489 CB PHE A 36 3.086 2.683 -1.793 1.00 0.00 C ATOM 490 CG PHE A 36 1.662 2.408 -1.406 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.650 3.281 -1.772 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.334 1.277 -0.675 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.662 3.031 -1.416 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.024 1.022 -0.317 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.976 1.899 -0.689 1.00 0.00 C ATOM 0 H PHE A 36 3.342 0.146 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 36 2.942 2.746 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.748 2.234 -1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.260 3.759 -1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.889 4.167 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.111 0.587 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.441 3.720 -1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.218 0.137 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.001 1.700 -0.412 1.00 0.00 H new ATOM 505 N GLU A 37 5.337 2.835 -4.550 1.00 0.00 N ATOM 506 CA GLU A 37 6.745 3.013 -4.885 1.00 0.00 C ATOM 507 C GLU A 37 7.266 4.346 -4.355 1.00 0.00 C ATOM 508 O GLU A 37 8.463 4.510 -4.122 1.00 0.00 O ATOM 509 CB GLU A 37 6.945 2.941 -6.400 1.00 0.00 C ATOM 510 CG GLU A 37 6.528 1.611 -7.006 1.00 0.00 C ATOM 511 CD GLU A 37 7.640 0.581 -6.973 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.677 0.805 -7.631 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.473 -0.450 -6.288 1.00 0.00 O ATOM 0 H GLU A 37 4.688 3.170 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 37 7.309 2.208 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.374 3.741 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.995 3.122 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.664 1.225 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.214 1.769 -8.038 1.00 0.00 H new ATOM 520 N LYS A 38 6.357 5.297 -4.167 1.00 0.00 N ATOM 521 CA LYS A 38 6.721 6.616 -3.665 1.00 0.00 C ATOM 522 C LYS A 38 6.814 6.612 -2.142 1.00 0.00 C ATOM 523 O LYS A 38 7.472 7.465 -1.549 1.00 0.00 O ATOM 524 CB LYS A 38 5.699 7.659 -4.121 1.00 0.00 C ATOM 525 CG LYS A 38 5.390 7.599 -5.607 1.00 0.00 C ATOM 526 CD LYS A 38 6.456 8.305 -6.427 1.00 0.00 C ATOM 527 CE LYS A 38 6.158 8.226 -7.917 1.00 0.00 C ATOM 528 NZ LYS A 38 5.318 9.367 -8.376 1.00 0.00 N ATOM 0 H LYS A 38 5.362 5.178 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 38 7.699 6.874 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.775 7.519 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.073 8.653 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.317 6.558 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.420 8.059 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.518 9.350 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.428 7.856 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.095 8.217 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.648 7.288 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.137 9.277 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.414 9.361 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.816 10.261 -8.190 1.00 0.00 H new ATOM 542 N ALA A 39 6.150 5.645 -1.516 1.00 0.00 N ATOM 543 CA ALA A 39 6.161 5.528 -0.063 1.00 0.00 C ATOM 544 C ALA A 39 7.587 5.527 0.477 1.00 0.00 C ATOM 545 O ALA A 39 8.336 4.570 0.279 1.00 0.00 O ATOM 546 CB ALA A 39 5.429 4.267 0.370 1.00 0.00 C ATOM 0 H ALA A 39 5.598 4.932 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 39 5.645 6.394 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.445 4.192 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.396 4.309 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.921 3.395 -0.061 1.00 0.00 H new ATOM 552 N THR A 40 7.958 6.605 1.160 1.00 0.00 N ATOM 553 CA THR A 40 9.294 6.729 1.727 1.00 0.00 C ATOM 554 C THR A 40 9.477 5.789 2.913 1.00 0.00 C ATOM 555 O THR A 40 10.601 5.529 3.344 1.00 0.00 O ATOM 556 CB THR A 40 9.580 8.173 2.181 1.00 0.00 C ATOM 557 OG1 THR A 40 8.697 8.535 3.249 1.00 0.00 O ATOM 558 CG2 THR A 40 9.413 9.147 1.025 1.00 0.00 C ATOM 0 H THR A 40 7.351 7.406 1.334 1.00 0.00 H new ATOM 0 HA THR A 40 9.998 6.458 0.940 1.00 0.00 H new ATOM 0 HB THR A 40 10.611 8.223 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.886 9.454 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.620 10.160 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.108 8.886 0.226 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.391 9.094 0.649 1.00 0.00 H new ATOM 566 N PHE A 41 8.367 5.282 3.437 1.00 0.00 N ATOM 567 CA PHE A 41 8.405 4.370 4.574 1.00 0.00 C ATOM 568 C PHE A 41 7.050 3.699 4.779 1.00 0.00 C ATOM 569 O PHE A 41 6.007 4.350 4.717 1.00 0.00 O ATOM 570 CB PHE A 41 8.811 5.122 5.844 1.00 0.00 C ATOM 571 CG PHE A 41 9.329 4.225 6.932 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.652 3.813 6.937 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.493 3.794 7.949 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.131 2.987 7.936 1.00 0.00 C ATOM 575 CE2 PHE A 41 8.967 2.968 8.951 1.00 0.00 C ATOM 576 CZ PHE A 41 10.287 2.565 8.945 1.00 0.00 C ATOM 0 H PHE A 41 7.429 5.487 3.092 1.00 0.00 H new ATOM 0 HA PHE A 41 9.145 3.598 4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.577 5.855 5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.951 5.676 6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.316 4.141 6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.459 4.107 7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.164 2.672 7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.305 2.638 9.738 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.659 1.921 9.728 1.00 0.00 H new ATOM 586 N ILE A 42 7.075 2.393 5.022 1.00 0.00 N ATOM 587 CA ILE A 42 5.850 1.633 5.237 1.00 0.00 C ATOM 588 C ILE A 42 5.882 0.903 6.575 1.00 0.00 C ATOM 589 O ILE A 42 6.877 0.267 6.924 1.00 0.00 O ATOM 590 CB ILE A 42 5.619 0.607 4.111 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.194 1.317 2.824 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.571 -0.413 4.530 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.088 0.393 1.631 1.00 0.00 C ATOM 0 H ILE A 42 7.930 1.839 5.075 1.00 0.00 H new ATOM 0 HA ILE A 42 5.030 2.351 5.238 1.00 0.00 H new ATOM 0 HB ILE A 42 6.555 0.081 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.230 1.800 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.912 2.106 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.419 -1.131 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.910 -0.937 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.632 0.097 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.783 0.964 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.056 -0.071 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.349 -0.381 1.835 1.00 0.00 H new ATOM 605 N LYS A 43 4.787 0.997 7.321 1.00 0.00 N ATOM 606 CA LYS A 43 4.687 0.344 8.621 1.00 0.00 C ATOM 607 C LYS A 43 3.423 -0.505 8.707 1.00 0.00 C ATOM 608 O LYS A 43 2.343 -0.072 8.303 1.00 0.00 O ATOM 609 CB LYS A 43 4.691 1.387 9.741 1.00 0.00 C ATOM 610 CG LYS A 43 4.975 0.803 11.114 1.00 0.00 C ATOM 611 CD LYS A 43 6.467 0.715 11.385 1.00 0.00 C ATOM 612 CE LYS A 43 6.752 0.063 12.730 1.00 0.00 C ATOM 613 NZ LYS A 43 6.816 1.065 13.829 1.00 0.00 N ATOM 0 H LYS A 43 3.955 1.520 7.047 1.00 0.00 H new ATOM 0 HA LYS A 43 5.551 -0.309 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.440 2.146 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.724 1.889 9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.501 1.420 11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.532 -0.190 11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.949 0.142 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.901 1.715 11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.975 -0.669 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.696 -0.480 12.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.012 0.581 14.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.574 1.749 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.907 1.566 13.896 1.00 0.00 H new ATOM 627 N VAL A 44 3.563 -1.716 9.238 1.00 0.00 N ATOM 628 CA VAL A 44 2.432 -2.625 9.380 1.00 0.00 C ATOM 629 C VAL A 44 2.406 -3.258 10.766 1.00 0.00 C ATOM 630 O VAL A 44 3.217 -4.124 11.096 1.00 0.00 O ATOM 631 CB VAL A 44 2.472 -3.741 8.319 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.884 -4.285 8.168 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.498 -4.853 8.679 1.00 0.00 C ATOM 0 H VAL A 44 4.449 -2.090 9.577 1.00 0.00 H new ATOM 0 HA VAL A 44 1.529 -2.031 9.238 1.00 0.00 H new ATOM 0 HB VAL A 44 2.168 -3.319 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.892 -5.072 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.553 -3.481 7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.221 -4.692 9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.539 -5.633 7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.769 -5.275 9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.487 -4.449 8.730 1.00 0.00 H new ATOM 643 N PRO A 45 1.452 -2.817 11.600 1.00 0.00 N ATOM 644 CA PRO A 45 1.297 -3.327 12.965 1.00 0.00 C ATOM 645 C PRO A 45 0.792 -4.766 12.992 1.00 0.00 C ATOM 646 O PRO A 45 -0.264 -5.073 12.440 1.00 0.00 O ATOM 647 CB PRO A 45 0.259 -2.385 13.580 1.00 0.00 C ATOM 648 CG PRO A 45 -0.519 -1.869 12.419 1.00 0.00 C ATOM 649 CD PRO A 45 0.452 -1.786 11.274 1.00 0.00 C ATOM 0 HA PRO A 45 2.245 -3.348 13.502 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.384 -2.911 14.285 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.737 -1.573 14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.349 -2.533 12.179 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.947 -0.891 12.640 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.034 -1.986 10.319 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.904 -0.797 11.201 1.00 0.00 H new ATOM 657 N GLN A 46 1.554 -5.644 13.637 1.00 0.00 N ATOM 658 CA GLN A 46 1.183 -7.050 13.735 1.00 0.00 C ATOM 659 C GLN A 46 0.687 -7.386 15.137 1.00 0.00 C ATOM 660 O GLN A 46 0.795 -6.575 16.055 1.00 0.00 O ATOM 661 CB GLN A 46 2.374 -7.940 13.376 1.00 0.00 C ATOM 662 CG GLN A 46 2.781 -7.851 11.914 1.00 0.00 C ATOM 663 CD GLN A 46 2.065 -8.866 11.045 1.00 0.00 C ATOM 664 OE1 GLN A 46 2.389 -10.054 11.062 1.00 0.00 O ATOM 665 NE2 GLN A 46 1.083 -8.403 10.280 1.00 0.00 N ATOM 0 H GLN A 46 2.432 -5.406 14.099 1.00 0.00 H new ATOM 0 HA GLN A 46 0.374 -7.236 13.029 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.225 -7.663 13.999 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.128 -8.975 13.614 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.570 -6.848 11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.857 -8.002 11.831 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.848 -7.411 10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.564 -9.040 9.675 1.00 0.00 H new ATOM 674 N ASN A 47 0.141 -8.588 15.295 1.00 0.00 N ATOM 675 CA ASN A 47 -0.372 -9.031 16.585 1.00 0.00 C ATOM 676 C ASN A 47 0.628 -9.948 17.284 1.00 0.00 C ATOM 677 O ASN A 47 1.664 -10.296 16.719 1.00 0.00 O ATOM 678 CB ASN A 47 -1.707 -9.758 16.404 1.00 0.00 C ATOM 679 CG ASN A 47 -2.729 -8.914 15.668 1.00 0.00 C ATOM 680 OD1 ASN A 47 -2.392 -7.892 15.069 1.00 0.00 O ATOM 681 ND2 ASN A 47 -3.987 -9.338 15.709 1.00 0.00 N ATOM 0 H ASN A 47 0.043 -9.272 14.545 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.526 -8.150 17.208 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.541 -10.685 15.854 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -2.103 -10.033 17.381 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -4.719 -8.811 15.232 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.221 -10.191 16.217 1.00 0.00 H new ATOM 688 N GLN A 48 0.308 -10.335 18.514 1.00 0.00 N ATOM 689 CA GLN A 48 1.179 -11.211 19.289 1.00 0.00 C ATOM 690 C GLN A 48 1.698 -12.360 18.431 1.00 0.00 C ATOM 691 O GLN A 48 2.889 -12.668 18.444 1.00 0.00 O ATOM 692 CB GLN A 48 0.431 -11.763 20.504 1.00 0.00 C ATOM 693 CG GLN A 48 1.225 -12.794 21.290 1.00 0.00 C ATOM 694 CD GLN A 48 0.581 -13.137 22.619 1.00 0.00 C ATOM 695 OE1 GLN A 48 -0.558 -13.601 22.669 1.00 0.00 O ATOM 696 NE2 GLN A 48 1.310 -12.910 23.706 1.00 0.00 N ATOM 0 H GLN A 48 -0.547 -10.056 18.995 1.00 0.00 H new ATOM 0 HA GLN A 48 2.031 -10.624 19.632 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.169 -10.937 21.165 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.504 -12.213 20.171 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.325 -13.701 20.694 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.232 -12.415 21.465 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.250 -12.524 23.618 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.930 -13.122 24.628 1.00 0.00 H new ATOM 705 N ASN A 49 0.795 -12.991 17.687 1.00 0.00 N ATOM 706 CA ASN A 49 1.162 -14.107 16.823 1.00 0.00 C ATOM 707 C ASN A 49 1.943 -13.620 15.607 1.00 0.00 C ATOM 708 O ASN A 49 3.122 -13.933 15.446 1.00 0.00 O ATOM 709 CB ASN A 49 -0.090 -14.862 16.371 1.00 0.00 C ATOM 710 CG ASN A 49 -1.084 -15.060 17.498 1.00 0.00 C ATOM 711 OD1 ASN A 49 -0.722 -15.499 18.590 1.00 0.00 O ATOM 712 ND2 ASN A 49 -2.346 -14.738 17.238 1.00 0.00 N ATOM 0 H ASN A 49 -0.196 -12.749 17.665 1.00 0.00 H new ATOM 0 HA ASN A 49 1.799 -14.782 17.394 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.569 -14.313 15.560 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.200 -15.834 15.971 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.060 -14.851 17.958 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.601 -14.378 16.319 1.00 0.00 H new ATOM 719 N GLY A 50 1.276 -12.851 14.751 1.00 0.00 N ATOM 720 CA GLY A 50 1.923 -12.332 13.560 1.00 0.00 C ATOM 721 C GLY A 50 0.931 -11.971 12.472 1.00 0.00 C ATOM 722 O GLY A 50 1.215 -12.132 11.285 1.00 0.00 O ATOM 0 H GLY A 50 0.299 -12.578 14.861 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.507 -11.450 13.823 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.623 -13.075 13.177 1.00 0.00 H new ATOM 726 N LYS A 51 -0.237 -11.484 12.876 1.00 0.00 N ATOM 727 CA LYS A 51 -1.275 -11.099 11.928 1.00 0.00 C ATOM 728 C LYS A 51 -1.521 -9.595 11.970 1.00 0.00 C ATOM 729 O LYS A 51 -1.726 -9.020 13.039 1.00 0.00 O ATOM 730 CB LYS A 51 -2.575 -11.848 12.232 1.00 0.00 C ATOM 731 CG LYS A 51 -2.549 -13.307 11.811 1.00 0.00 C ATOM 732 CD LYS A 51 -3.953 -13.858 11.621 1.00 0.00 C ATOM 733 CE LYS A 51 -3.927 -15.327 11.228 1.00 0.00 C ATOM 734 NZ LYS A 51 -5.298 -15.901 11.137 1.00 0.00 N ATOM 0 H LYS A 51 -0.489 -11.346 13.855 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.934 -11.365 10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.776 -11.791 13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.400 -11.347 11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.989 -13.408 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.025 -13.895 12.565 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.520 -13.737 12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.469 -13.284 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.423 -15.437 10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.346 -15.888 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.237 -16.903 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.771 -15.819 12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.845 -15.382 10.421 1.00 0.00 H new ATOM 748 N SER A 52 -1.501 -8.963 10.801 1.00 0.00 N ATOM 749 CA SER A 52 -1.719 -7.524 10.705 1.00 0.00 C ATOM 750 C SER A 52 -3.015 -7.124 11.404 1.00 0.00 C ATOM 751 O SER A 52 -4.105 -7.522 10.992 1.00 0.00 O ATOM 752 CB SER A 52 -1.762 -7.090 9.239 1.00 0.00 C ATOM 753 OG SER A 52 -0.520 -7.331 8.599 1.00 0.00 O ATOM 0 H SER A 52 -1.336 -9.425 9.907 1.00 0.00 H new ATOM 0 HA SER A 52 -0.889 -7.021 11.201 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.553 -7.630 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.007 -6.030 9.177 1.00 0.00 H new ATOM 0 HG SER A 52 -0.653 -7.948 7.849 1.00 0.00 H new ATOM 759 N LYS A 53 -2.888 -6.334 12.465 1.00 0.00 N ATOM 760 CA LYS A 53 -4.047 -5.878 13.222 1.00 0.00 C ATOM 761 C LYS A 53 -5.231 -5.612 12.297 1.00 0.00 C ATOM 762 O LYS A 53 -6.385 -5.794 12.683 1.00 0.00 O ATOM 763 CB LYS A 53 -3.703 -4.608 14.004 1.00 0.00 C ATOM 764 CG LYS A 53 -2.436 -4.729 14.833 1.00 0.00 C ATOM 765 CD LYS A 53 -2.315 -3.594 15.836 1.00 0.00 C ATOM 766 CE LYS A 53 -2.949 -3.958 17.169 1.00 0.00 C ATOM 767 NZ LYS A 53 -4.373 -3.528 17.241 1.00 0.00 N ATOM 0 H LYS A 53 -1.993 -5.996 12.820 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.325 -6.666 13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.592 -3.780 13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.536 -4.360 14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.435 -5.683 15.360 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.568 -4.728 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.263 -3.351 15.987 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.795 -2.701 15.436 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.887 -5.036 17.318 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.387 -3.491 17.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.660 -3.444 18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.482 -2.607 16.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.973 -4.233 16.766 1.00 0.00 H new ATOM 781 N GLY A 54 -4.937 -5.182 11.074 1.00 0.00 N ATOM 782 CA GLY A 54 -5.987 -4.900 10.114 1.00 0.00 C ATOM 783 C GLY A 54 -5.777 -3.582 9.395 1.00 0.00 C ATOM 784 O GLY A 54 -6.577 -3.198 8.541 1.00 0.00 O ATOM 0 H GLY A 54 -3.989 -5.024 10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.032 -5.706 9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.949 -4.881 10.627 1.00 0.00 H new ATOM 788 N TYR A 55 -4.699 -2.887 9.740 1.00 0.00 N ATOM 789 CA TYR A 55 -4.388 -1.602 9.124 1.00 0.00 C ATOM 790 C TYR A 55 -2.880 -1.400 9.018 1.00 0.00 C ATOM 791 O TYR A 55 -2.097 -2.208 9.517 1.00 0.00 O ATOM 792 CB TYR A 55 -5.012 -0.462 9.931 1.00 0.00 C ATOM 793 CG TYR A 55 -4.700 -0.525 11.409 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.264 -1.505 12.216 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.842 0.395 11.998 1.00 0.00 C ATOM 796 CE1 TYR A 55 -4.983 -1.567 13.567 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.554 0.340 13.348 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.127 -0.642 14.129 1.00 0.00 C ATOM 799 OH TYR A 55 -3.844 -0.699 15.474 1.00 0.00 O ATOM 0 H TYR A 55 -4.026 -3.192 10.443 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.808 -1.598 8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.658 0.489 9.534 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.093 -0.482 9.795 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.934 -2.231 11.780 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.392 1.166 11.390 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.431 -2.335 14.180 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.884 1.062 13.790 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.224 0.023 15.709 1.00 0.00 H new ATOM 809 N ALA A 56 -2.480 -0.315 8.363 1.00 0.00 N ATOM 810 CA ALA A 56 -1.066 -0.003 8.193 1.00 0.00 C ATOM 811 C ALA A 56 -0.835 1.504 8.174 1.00 0.00 C ATOM 812 O ALA A 56 -1.775 2.288 8.300 1.00 0.00 O ATOM 813 CB ALA A 56 -0.536 -0.637 6.915 1.00 0.00 C ATOM 0 H ALA A 56 -3.115 0.363 7.941 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.523 -0.416 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.521 -0.396 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.658 -1.719 6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.091 -0.251 6.060 1.00 0.00 H new ATOM 819 N PHE A 57 0.423 1.903 8.017 1.00 0.00 N ATOM 820 CA PHE A 57 0.779 3.317 7.983 1.00 0.00 C ATOM 821 C PHE A 57 1.817 3.591 6.899 1.00 0.00 C ATOM 822 O PHE A 57 2.983 3.217 7.033 1.00 0.00 O ATOM 823 CB PHE A 57 1.317 3.761 9.345 1.00 0.00 C ATOM 824 CG PHE A 57 0.253 3.885 10.399 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.681 4.907 10.343 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.188 2.979 11.445 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.661 5.023 11.310 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.790 3.090 12.415 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.715 4.114 12.349 1.00 0.00 C ATOM 0 H PHE A 57 1.213 1.267 7.911 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.120 3.887 7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.068 3.046 9.681 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.819 4.722 9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.642 5.621 9.534 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.909 2.177 11.503 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.384 5.823 11.254 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.831 2.376 13.225 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.478 4.204 13.108 1.00 0.00 H new ATOM 839 N ILE A 58 1.385 4.245 5.827 1.00 0.00 N ATOM 840 CA ILE A 58 2.276 4.571 4.720 1.00 0.00 C ATOM 841 C ILE A 58 2.827 5.986 4.855 1.00 0.00 C ATOM 842 O ILE A 58 2.113 6.904 5.258 1.00 0.00 O ATOM 843 CB ILE A 58 1.560 4.437 3.363 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.614 3.235 3.377 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.577 4.306 2.239 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.322 1.912 3.567 1.00 0.00 C ATOM 0 H ILE A 58 0.423 4.560 5.701 1.00 0.00 H new ATOM 0 HA ILE A 58 3.100 3.859 4.758 1.00 0.00 H new ATOM 0 HB ILE A 58 0.970 5.337 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.115 3.366 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.058 3.209 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.056 4.212 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.213 5.191 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.191 3.421 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.590 1.104 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.031 1.759 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.855 1.918 4.518 1.00 0.00 H new ATOM 858 N GLU A 59 4.100 6.155 4.514 1.00 0.00 N ATOM 859 CA GLU A 59 4.746 7.460 4.596 1.00 0.00 C ATOM 860 C GLU A 59 5.315 7.872 3.242 1.00 0.00 C ATOM 861 O GLU A 59 5.957 7.075 2.557 1.00 0.00 O ATOM 862 CB GLU A 59 5.861 7.437 5.644 1.00 0.00 C ATOM 863 CG GLU A 59 6.179 8.804 6.225 1.00 0.00 C ATOM 864 CD GLU A 59 7.470 8.815 7.020 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.538 8.573 6.419 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.413 9.064 8.242 1.00 0.00 O ATOM 0 H GLU A 59 4.705 5.405 4.178 1.00 0.00 H new ATOM 0 HA GLU A 59 3.993 8.191 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.574 6.766 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.763 7.024 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.249 9.531 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.358 9.121 6.868 1.00 0.00 H new ATOM 873 N PHE A 60 5.073 9.122 2.861 1.00 0.00 N ATOM 874 CA PHE A 60 5.560 9.641 1.588 1.00 0.00 C ATOM 875 C PHE A 60 6.387 10.906 1.796 1.00 0.00 C ATOM 876 O PHE A 60 6.643 11.313 2.929 1.00 0.00 O ATOM 877 CB PHE A 60 4.386 9.934 0.651 1.00 0.00 C ATOM 878 CG PHE A 60 3.559 8.722 0.329 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.697 8.186 1.271 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.644 8.120 -0.916 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.934 7.071 0.978 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.883 7.006 -1.215 1.00 0.00 C ATOM 883 CZ PHE A 60 2.028 6.480 -0.266 1.00 0.00 C ATOM 0 H PHE A 60 4.543 9.794 3.415 1.00 0.00 H new ATOM 0 HA PHE A 60 6.198 8.882 1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.747 10.689 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.769 10.359 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.620 8.644 2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.312 8.526 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.265 6.663 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.957 6.547 -2.190 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.434 5.608 -0.497 1.00 0.00 H new ATOM 893 N ALA A 61 6.803 11.522 0.694 1.00 0.00 N ATOM 894 CA ALA A 61 7.600 12.741 0.755 1.00 0.00 C ATOM 895 C ALA A 61 6.761 13.922 1.232 1.00 0.00 C ATOM 896 O ALA A 61 7.276 14.850 1.856 1.00 0.00 O ATOM 897 CB ALA A 61 8.211 13.040 -0.605 1.00 0.00 C ATOM 0 H ALA A 61 6.601 11.197 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 61 8.403 12.585 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.804 13.953 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.851 12.211 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.417 13.171 -1.340 1.00 0.00 H new ATOM 903 N SER A 62 5.466 13.882 0.933 1.00 0.00 N ATOM 904 CA SER A 62 4.557 14.951 1.327 1.00 0.00 C ATOM 905 C SER A 62 3.116 14.598 0.971 1.00 0.00 C ATOM 906 O SER A 62 2.835 13.500 0.488 1.00 0.00 O ATOM 907 CB SER A 62 4.955 16.263 0.648 1.00 0.00 C ATOM 908 OG SER A 62 4.590 17.379 1.442 1.00 0.00 O ATOM 0 H SER A 62 5.023 13.120 0.419 1.00 0.00 H new ATOM 0 HA SER A 62 4.626 15.073 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.031 16.274 0.473 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.472 16.333 -0.327 1.00 0.00 H new ATOM 0 HG SER A 62 4.857 18.205 0.987 1.00 0.00 H new ATOM 914 N PHE A 63 2.207 15.536 1.213 1.00 0.00 N ATOM 915 CA PHE A 63 0.794 15.325 0.919 1.00 0.00 C ATOM 916 C PHE A 63 0.570 15.146 -0.580 1.00 0.00 C ATOM 917 O PHE A 63 -0.529 14.809 -1.017 1.00 0.00 O ATOM 918 CB PHE A 63 -0.037 16.502 1.433 1.00 0.00 C ATOM 919 CG PHE A 63 -1.330 16.691 0.693 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.424 15.885 0.965 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.453 17.676 -0.275 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.615 16.057 0.285 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.641 17.852 -0.958 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.724 17.042 -0.677 1.00 0.00 C ATOM 0 H PHE A 63 2.423 16.450 1.612 1.00 0.00 H new ATOM 0 HA PHE A 63 0.476 14.415 1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.252 16.350 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.554 17.415 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.345 15.114 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.610 18.313 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.460 15.422 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.723 18.622 -1.711 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.654 17.179 -1.208 1.00 0.00 H new ATOM 934 N GLU A 64 1.622 15.374 -1.360 1.00 0.00 N ATOM 935 CA GLU A 64 1.540 15.239 -2.810 1.00 0.00 C ATOM 936 C GLU A 64 1.595 13.771 -3.224 1.00 0.00 C ATOM 937 O GLU A 64 0.627 13.230 -3.759 1.00 0.00 O ATOM 938 CB GLU A 64 2.678 16.012 -3.481 1.00 0.00 C ATOM 939 CG GLU A 64 2.325 17.454 -3.806 1.00 0.00 C ATOM 940 CD GLU A 64 1.632 17.597 -5.147 1.00 0.00 C ATOM 941 OE1 GLU A 64 0.497 17.094 -5.284 1.00 0.00 O ATOM 942 OE2 GLU A 64 2.224 18.210 -6.059 1.00 0.00 O ATOM 0 H GLU A 64 2.540 15.653 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 64 0.586 15.655 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.550 15.999 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.961 15.500 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.679 17.851 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.234 18.056 -3.805 1.00 0.00 H new ATOM 949 N ASP A 65 2.733 13.134 -2.972 1.00 0.00 N ATOM 950 CA ASP A 65 2.914 11.729 -3.318 1.00 0.00 C ATOM 951 C ASP A 65 1.868 10.860 -2.627 1.00 0.00 C ATOM 952 O ASP A 65 1.294 9.959 -3.239 1.00 0.00 O ATOM 953 CB ASP A 65 4.318 11.263 -2.929 1.00 0.00 C ATOM 954 CG ASP A 65 5.364 11.658 -3.954 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.160 12.677 -4.646 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.384 10.947 -4.065 1.00 0.00 O ATOM 0 H ASP A 65 3.543 13.568 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 65 2.791 11.627 -4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.583 11.688 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.319 10.179 -2.812 1.00 0.00 H new ATOM 961 N ALA A 66 1.625 11.136 -1.350 1.00 0.00 N ATOM 962 CA ALA A 66 0.648 10.380 -0.577 1.00 0.00 C ATOM 963 C ALA A 66 -0.710 10.367 -1.272 1.00 0.00 C ATOM 964 O ALA A 66 -1.304 9.309 -1.479 1.00 0.00 O ATOM 965 CB ALA A 66 0.520 10.960 0.824 1.00 0.00 C ATOM 0 H ALA A 66 2.092 11.878 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 66 0.999 9.351 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.213 10.385 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.486 10.912 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.196 11.999 0.760 1.00 0.00 H new ATOM 971 N LYS A 67 -1.197 11.551 -1.630 1.00 0.00 N ATOM 972 CA LYS A 67 -2.485 11.676 -2.302 1.00 0.00 C ATOM 973 C LYS A 67 -2.485 10.917 -3.625 1.00 0.00 C ATOM 974 O LYS A 67 -3.480 10.296 -3.994 1.00 0.00 O ATOM 975 CB LYS A 67 -2.813 13.151 -2.548 1.00 0.00 C ATOM 976 CG LYS A 67 -4.053 13.364 -3.400 1.00 0.00 C ATOM 977 CD LYS A 67 -5.325 13.187 -2.587 1.00 0.00 C ATOM 978 CE LYS A 67 -5.359 14.129 -1.393 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.745 14.334 -0.888 1.00 0.00 N ATOM 0 H LYS A 67 -0.719 12.437 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.248 11.243 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.952 13.649 -1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.962 13.628 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.032 14.365 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.050 12.659 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.192 13.371 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.396 12.156 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.737 13.725 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.930 15.090 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.726 14.982 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.332 14.743 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.146 13.421 -0.594 1.00 0.00 H new ATOM 993 N GLU A 68 -1.361 10.972 -4.334 1.00 0.00 N ATOM 994 CA GLU A 68 -1.233 10.289 -5.615 1.00 0.00 C ATOM 995 C GLU A 68 -1.533 8.799 -5.470 1.00 0.00 C ATOM 996 O GLU A 68 -2.317 8.236 -6.234 1.00 0.00 O ATOM 997 CB GLU A 68 0.175 10.483 -6.183 1.00 0.00 C ATOM 998 CG GLU A 68 0.455 9.640 -7.416 1.00 0.00 C ATOM 999 CD GLU A 68 -0.038 10.291 -8.693 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -1.177 10.805 -8.695 1.00 0.00 O ATOM 1001 OE2 GLU A 68 0.713 10.287 -9.691 1.00 0.00 O ATOM 0 H GLU A 68 -0.527 11.482 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.958 10.723 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.315 11.535 -6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.906 10.238 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.528 9.462 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.022 8.666 -7.302 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.903 8.168 -4.485 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.103 6.746 -4.238 1.00 0.00 C ATOM 1010 C ALA A 69 -2.440 6.491 -3.549 1.00 0.00 C ATOM 1011 O ALA A 69 -3.037 5.425 -3.706 1.00 0.00 O ATOM 1012 CB ALA A 69 0.039 6.189 -3.401 1.00 0.00 C ATOM 0 H ALA A 69 -0.250 8.619 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.116 6.234 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.124 5.126 -3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.981 6.328 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.080 6.713 -2.446 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.904 7.474 -2.786 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.170 7.356 -2.072 1.00 0.00 C ATOM 1020 C LEU A 70 -5.347 7.394 -3.041 1.00 0.00 C ATOM 1021 O LEU A 70 -6.411 6.842 -2.763 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.305 8.480 -1.043 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.730 8.940 -0.735 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.507 7.837 -0.033 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.711 10.204 0.113 1.00 0.00 C ATOM 0 H LEU A 70 -2.422 8.362 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.179 6.396 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.842 8.151 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.736 9.340 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.230 9.166 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.519 8.183 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.551 6.957 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.009 7.579 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.734 10.517 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.193 10.005 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.192 10.996 -0.427 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.148 8.048 -4.181 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.192 8.157 -5.193 1.00 0.00 C ATOM 1039 C ASN A 71 -6.154 6.966 -6.144 1.00 0.00 C ATOM 1040 O ASN A 71 -7.179 6.567 -6.698 1.00 0.00 O ATOM 1041 CB ASN A 71 -6.034 9.459 -5.981 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.521 10.668 -5.205 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.445 10.569 -4.397 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.900 11.816 -5.448 1.00 0.00 N ATOM 0 H ASN A 71 -4.273 8.511 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.156 8.163 -4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.985 9.597 -6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.588 9.384 -6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.184 12.663 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.139 11.851 -6.126 1.00 0.00 H new ATOM 1051 N SER A 72 -4.965 6.400 -6.329 1.00 0.00 N ATOM 1052 CA SER A 72 -4.792 5.256 -7.216 1.00 0.00 C ATOM 1053 C SER A 72 -4.929 3.946 -6.446 1.00 0.00 C ATOM 1054 O SER A 72 -5.862 3.175 -6.673 1.00 0.00 O ATOM 1055 CB SER A 72 -3.426 5.317 -7.902 1.00 0.00 C ATOM 1056 OG SER A 72 -2.409 5.671 -6.981 1.00 0.00 O ATOM 0 H SER A 72 -4.107 6.716 -5.876 1.00 0.00 H new ATOM 0 HA SER A 72 -5.573 5.295 -7.975 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.196 4.350 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.455 6.044 -8.714 1.00 0.00 H new ATOM 0 HG SER A 72 -2.343 6.647 -6.926 1.00 0.00 H new ATOM 1062 N CYS A 73 -3.993 3.702 -5.535 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.007 2.486 -4.731 1.00 0.00 C ATOM 1064 C CYS A 73 -5.347 2.318 -4.021 1.00 0.00 C ATOM 1065 O CYS A 73 -5.707 1.218 -3.605 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.873 2.514 -3.706 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.229 2.722 -4.429 1.00 0.00 S ATOM 0 H CYS A 73 -3.215 4.331 -5.335 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.862 1.637 -5.399 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.054 3.326 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.892 1.586 -3.134 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.347 2.824 -3.479 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.080 3.419 -3.886 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.380 3.394 -3.225 1.00 0.00 C ATOM 1075 C ASN A 74 -8.103 2.078 -3.493 1.00 0.00 C ATOM 1076 O ASN A 74 -8.372 1.727 -4.642 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.240 4.567 -3.700 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.213 5.039 -2.638 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.416 5.136 -2.880 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.695 5.336 -1.451 1.00 0.00 N ATOM 0 H ASN A 74 -5.796 4.338 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.214 3.484 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.592 5.395 -3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.794 4.270 -4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.301 5.659 -0.697 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.692 5.241 -1.294 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.415 1.352 -2.425 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.108 0.075 -2.543 1.00 0.00 C ATOM 1089 C LYS A 75 -8.314 -0.897 -3.409 1.00 0.00 C ATOM 1090 O LYS A 75 -8.835 -1.446 -4.380 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.503 0.282 -3.137 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.376 1.224 -2.327 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.712 1.471 -3.008 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.650 2.673 -3.937 1.00 0.00 C ATOM 1095 NZ LYS A 75 -13.998 3.053 -4.443 1.00 0.00 N ATOM 0 H LYS A 75 -8.199 1.627 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.204 -0.352 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.403 0.673 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.002 -0.684 -3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.544 0.803 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.857 2.172 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.002 0.586 -3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.482 1.632 -2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.209 3.518 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.996 2.448 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.913 3.876 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.409 2.256 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.615 3.293 -3.641 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.052 -1.107 -3.050 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.186 -2.014 -3.794 1.00 0.00 C ATOM 1111 C ARG A 76 -6.405 -3.458 -3.355 1.00 0.00 C ATOM 1112 O ARG A 76 -6.310 -3.777 -2.170 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.719 -1.627 -3.600 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.742 -2.601 -4.238 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.537 -2.297 -5.714 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.236 -2.757 -6.191 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.661 -2.310 -7.302 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.269 -1.396 -8.046 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.475 -2.777 -7.671 1.00 0.00 N ATOM 0 H ARG A 76 -6.606 -0.661 -2.248 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.439 -1.932 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.555 -0.634 -4.020 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.508 -1.561 -2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.785 -2.551 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.114 -3.619 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.326 -2.774 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.625 -1.223 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.742 -3.460 -5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.181 -1.034 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.825 -1.055 -8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.004 -3.480 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.034 -2.433 -8.524 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.700 -4.326 -4.318 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.934 -5.736 -4.029 1.00 0.00 C ATOM 1135 C GLU A 77 -5.620 -6.459 -3.747 1.00 0.00 C ATOM 1136 O GLU A 77 -4.871 -6.790 -4.667 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.656 -6.407 -5.199 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.171 -6.353 -5.091 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.854 -6.394 -6.444 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.909 -5.342 -7.114 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.334 -7.480 -6.832 1.00 0.00 O ATOM 0 H GLU A 77 -6.783 -4.078 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.562 -5.798 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.349 -5.927 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.341 -7.449 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.519 -7.191 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.462 -5.442 -4.569 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.346 -6.701 -2.469 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.124 -7.384 -2.065 1.00 0.00 C ATOM 1150 C ILE A 78 -4.438 -8.664 -1.297 1.00 0.00 C ATOM 1151 O ILE A 78 -5.192 -8.646 -0.326 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.235 -6.479 -1.192 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.219 -5.054 -1.747 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.823 -7.039 -1.116 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.223 -4.148 -1.059 1.00 0.00 C ATOM 0 H ILE A 78 -5.955 -6.434 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.586 -7.634 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.649 -6.451 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.989 -5.090 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.216 -4.624 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.207 -6.389 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.851 -8.037 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.399 -7.093 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.267 -3.154 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.464 -4.081 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.219 -4.555 -1.178 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.851 -9.772 -1.739 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.068 -11.060 -1.092 1.00 0.00 C ATOM 1169 C GLU A 79 -5.547 -11.437 -1.110 1.00 0.00 C ATOM 1170 O GLU A 79 -6.016 -12.194 -0.262 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.557 -11.024 0.350 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.062 -10.778 0.460 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.720 -9.307 0.590 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.628 -8.513 0.914 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.544 -8.949 0.369 1.00 0.00 O ATOM 0 H GLU A 79 -3.222 -9.803 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.512 -11.815 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.086 -10.242 0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.798 -11.970 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.672 -11.315 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.565 -11.186 -0.420 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.276 -10.900 -2.084 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.694 -11.190 -2.195 1.00 0.00 C ATOM 1184 C GLY A 80 -8.541 -10.277 -1.332 1.00 0.00 C ATOM 1185 O GLY A 80 -9.759 -10.439 -1.255 1.00 0.00 O ATOM 0 H GLY A 80 -5.910 -10.270 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.002 -11.090 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.873 -12.226 -1.908 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.896 -9.315 -0.679 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.599 -8.375 0.185 1.00 0.00 C ATOM 1191 C ARG A 81 -8.358 -6.937 -0.267 1.00 0.00 C ATOM 1192 O ARG A 81 -7.218 -6.526 -0.481 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.146 -8.547 1.636 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.166 -9.990 2.114 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.406 -10.077 3.613 1.00 0.00 C ATOM 1196 NE ARG A 81 -7.887 -8.909 4.319 1.00 0.00 N ATOM 1197 CZ ARG A 81 -8.315 -8.523 5.516 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -9.265 -9.209 6.136 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -7.794 -7.449 6.094 1.00 0.00 N ATOM 0 H ARG A 81 -6.888 -9.167 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.666 -8.585 0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.135 -8.152 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.790 -7.950 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.947 -10.538 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.218 -10.469 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.475 -10.171 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.932 -10.977 4.004 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.156 -8.359 3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.669 -10.035 5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.592 -8.911 7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.064 -6.918 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.124 -7.154 7.013 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.440 -6.179 -0.410 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.347 -4.788 -0.835 1.00 0.00 C ATOM 1215 C ALA A 82 -8.845 -3.900 0.299 1.00 0.00 C ATOM 1216 O ALA A 82 -9.375 -3.937 1.410 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.697 -4.297 -1.334 1.00 0.00 C ATOM 0 H ALA A 82 -10.391 -6.505 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.628 -4.731 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.612 -3.257 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.016 -4.906 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.432 -4.375 -0.533 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.821 -3.103 0.012 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.249 -2.206 1.008 1.00 0.00 C ATOM 1225 C ILE A 83 -7.589 -0.752 0.699 1.00 0.00 C ATOM 1226 O ILE A 83 -7.328 -0.263 -0.400 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.718 -2.357 1.089 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.065 -1.842 -0.195 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.342 -3.811 1.335 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.709 -0.373 -0.144 1.00 0.00 C ATOM 0 H ILE A 83 -7.371 -3.060 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.685 -2.482 1.968 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.352 -1.761 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.162 -2.420 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.742 -2.015 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.257 -3.902 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.782 -4.147 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.717 -4.427 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.250 -0.077 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.612 0.215 0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.008 -0.197 0.672 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.173 -0.066 1.676 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.549 1.332 1.509 1.00 0.00 C ATOM 1244 C ARG A 84 -7.523 2.253 2.164 1.00 0.00 C ATOM 1245 O ARG A 84 -6.933 1.912 3.190 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.933 1.586 2.107 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.487 2.967 1.799 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.926 3.109 2.270 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.006 3.489 3.678 1.00 0.00 N ATOM 1250 CZ ARG A 84 -11.949 2.617 4.679 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -11.812 1.322 4.427 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -12.028 3.040 5.934 1.00 0.00 N ATOM 0 H ARG A 84 -8.396 -0.456 2.592 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.578 1.549 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.626 0.834 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.881 1.458 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.869 3.724 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.435 3.150 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.434 3.858 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.452 2.166 2.118 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.111 4.478 3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.750 0.994 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.768 0.654 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.133 4.035 6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.984 2.370 6.702 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.317 3.421 1.565 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.362 4.391 2.090 1.00 0.00 C ATOM 1268 C LEU A 85 -7.066 5.682 2.496 1.00 0.00 C ATOM 1269 O LEU A 85 -7.993 6.132 1.823 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.284 4.691 1.047 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.404 3.511 0.633 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -3.868 3.713 -0.776 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.260 3.326 1.620 1.00 0.00 C ATOM 0 H LEU A 85 -7.798 3.719 0.716 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.893 3.960 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.770 5.087 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.640 5.480 1.436 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.014 2.608 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.244 2.863 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.701 3.794 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.274 4.626 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.644 2.482 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.651 4.230 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.664 3.134 2.614 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.617 6.274 3.599 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.203 7.514 4.092 1.00 0.00 C ATOM 1287 C GLU A 86 -6.152 8.374 4.788 1.00 0.00 C ATOM 1288 O GLU A 86 -5.356 7.877 5.587 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.352 7.212 5.058 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.704 7.087 4.375 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.849 6.989 5.364 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.874 7.789 6.323 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.720 6.114 5.178 1.00 0.00 O ATOM 0 H GLU A 86 -5.850 5.915 4.167 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.592 8.067 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.135 6.285 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.404 8.003 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.861 7.949 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.704 6.204 3.736 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.154 9.666 4.480 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.201 10.596 5.074 1.00 0.00 C ATOM 1302 C LEU A 87 -5.356 10.639 6.591 1.00 0.00 C ATOM 1303 O LEU A 87 -6.469 10.721 7.108 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.394 11.997 4.491 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.917 12.196 3.052 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.126 13.637 2.614 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.453 11.802 2.915 1.00 0.00 C ATOM 0 H LEU A 87 -6.806 10.093 3.822 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.196 10.247 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.454 12.246 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.870 12.709 5.128 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.508 11.551 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.781 13.759 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.186 13.885 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.562 14.302 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.131 11.950 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.846 12.420 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.332 10.753 3.186 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.231 10.585 7.297 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.243 10.620 8.755 1.00 0.00 C ATOM 1321 C GLN A 88 -4.341 12.054 9.265 1.00 0.00 C ATOM 1322 O GLN A 88 -3.514 12.900 8.931 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.983 9.954 9.312 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.184 9.321 10.680 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.878 9.106 11.420 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.585 9.794 12.398 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -1.086 8.146 10.957 1.00 0.00 N ATOM 0 H GLN A 88 -3.301 10.517 6.884 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.119 10.071 9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.647 9.189 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.188 10.697 9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.836 9.957 11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.693 8.364 10.562 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.369 7.600 10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.195 7.955 11.415 1.00 0.00 H new ATOM 1336 N GLY A 89 -5.361 12.319 10.077 1.00 0.00 N ATOM 1337 CA GLY A 89 -5.549 13.652 10.619 1.00 0.00 C ATOM 1338 C GLY A 89 -6.989 13.921 11.010 1.00 0.00 C ATOM 1339 O GLY A 89 -7.920 13.303 10.493 1.00 0.00 O ATOM 0 H GLY A 89 -6.059 11.635 10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.909 13.780 11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.232 14.389 9.881 1.00 0.00 H new ATOM 1343 N PRO A 90 -7.187 14.861 11.946 1.00 0.00 N ATOM 1344 CA PRO A 90 -8.521 15.230 12.427 1.00 0.00 C ATOM 1345 C PRO A 90 -9.334 15.971 11.371 1.00 0.00 C ATOM 1346 O PRO A 90 -9.022 17.109 11.019 1.00 0.00 O ATOM 1347 CB PRO A 90 -8.227 16.148 13.617 1.00 0.00 C ATOM 1348 CG PRO A 90 -6.878 16.712 13.336 1.00 0.00 C ATOM 1349 CD PRO A 90 -6.123 15.636 12.605 1.00 0.00 C ATOM 0 HA PRO A 90 -9.119 14.355 12.683 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.975 16.936 13.704 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.237 15.594 14.556 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.951 17.616 12.732 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.369 16.986 14.260 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.425 16.056 11.881 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.541 15.018 13.289 1.00 0.00 H new ATOM 1357 N ARG A 91 -10.378 15.319 10.870 1.00 0.00 N ATOM 1358 CA ARG A 91 -11.235 15.917 9.853 1.00 0.00 C ATOM 1359 C ARG A 91 -12.333 16.759 10.495 1.00 0.00 C ATOM 1360 O ARG A 91 -13.352 16.234 10.942 1.00 0.00 O ATOM 1361 CB ARG A 91 -11.859 14.828 8.978 1.00 0.00 C ATOM 1362 CG ARG A 91 -10.866 14.152 8.047 1.00 0.00 C ATOM 1363 CD ARG A 91 -11.548 13.616 6.798 1.00 0.00 C ATOM 1364 NE ARG A 91 -10.585 13.248 5.764 1.00 0.00 N ATOM 1365 CZ ARG A 91 -9.809 12.172 5.832 1.00 0.00 C ATOM 1366 NH1 ARG A 91 -9.882 11.363 6.880 1.00 0.00 N ATOM 1367 NH2 ARG A 91 -8.957 11.903 4.850 1.00 0.00 N ATOM 0 H ARG A 91 -10.651 14.377 11.151 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.620 16.566 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.314 14.074 9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.661 15.266 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.090 14.863 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.372 13.335 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.150 12.746 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.231 14.370 6.406 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.504 13.850 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.535 11.566 7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.285 10.537 6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.898 12.523 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.362 11.076 4.903 1.00 0.00 H new ATOM 1381 N GLY A 92 -12.118 18.071 10.537 1.00 0.00 N ATOM 1382 CA GLY A 92 -13.097 18.965 11.127 1.00 0.00 C ATOM 1383 C GLY A 92 -13.829 19.789 10.087 1.00 0.00 C ATOM 1384 O GLY A 92 -14.379 19.246 9.128 1.00 0.00 O ATOM 0 H GLY A 92 -11.283 18.530 10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.819 18.382 11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.598 19.632 11.830 1.00 0.00 H new ATOM 1388 N SER A 93 -13.839 21.105 10.276 1.00 0.00 N ATOM 1389 CA SER A 93 -14.515 22.006 9.349 1.00 0.00 C ATOM 1390 C SER A 93 -14.090 21.724 7.911 1.00 0.00 C ATOM 1391 O SER A 93 -12.905 21.604 7.599 1.00 0.00 O ATOM 1392 CB SER A 93 -14.210 23.462 9.706 1.00 0.00 C ATOM 1393 OG SER A 93 -15.137 24.342 9.095 1.00 0.00 O ATOM 0 H SER A 93 -13.387 21.571 11.063 1.00 0.00 H new ATOM 0 HA SER A 93 -15.588 21.836 9.433 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.242 23.589 10.788 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.199 23.714 9.386 1.00 0.00 H new ATOM 0 HG SER A 93 -14.699 24.819 8.360 1.00 0.00 H new ATOM 1399 N PRO A 94 -15.081 21.615 7.013 1.00 0.00 N ATOM 1400 CA PRO A 94 -14.836 21.346 5.593 1.00 0.00 C ATOM 1401 C PRO A 94 -14.189 22.530 4.882 1.00 0.00 C ATOM 1402 O PRO A 94 -13.286 22.358 4.065 1.00 0.00 O ATOM 1403 CB PRO A 94 -16.237 21.087 5.034 1.00 0.00 C ATOM 1404 CG PRO A 94 -17.153 21.817 5.955 1.00 0.00 C ATOM 1405 CD PRO A 94 -16.516 21.746 7.315 1.00 0.00 C ATOM 0 HA PRO A 94 -14.145 20.516 5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -16.329 21.453 4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -16.464 20.021 5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -17.282 22.852 5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -18.143 21.361 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.723 22.640 7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -16.885 20.895 7.888 1.00 0.00 H new ATOM 1413 N ASN A 95 -14.658 23.733 5.199 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.125 24.946 4.590 1.00 0.00 C ATOM 1415 C ASN A 95 -13.492 25.850 5.643 1.00 0.00 C ATOM 1416 O ASN A 95 -14.077 26.098 6.697 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.233 25.701 3.853 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.187 24.768 3.131 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -15.998 24.457 1.955 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.219 24.318 3.835 1.00 0.00 N ATOM 0 H ASN A 95 -15.406 23.893 5.874 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.355 24.656 3.875 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.792 26.307 4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.785 26.387 3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -17.895 23.688 3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.336 24.603 4.808 1.00 0.00 H new ATOM 1427 N SER A 96 -12.292 26.341 5.349 1.00 0.00 N ATOM 1428 CA SER A 96 -11.577 27.216 6.271 1.00 0.00 C ATOM 1429 C SER A 96 -11.929 28.678 6.016 1.00 0.00 C ATOM 1430 O SER A 96 -12.177 29.441 6.949 1.00 0.00 O ATOM 1431 CB SER A 96 -10.067 27.011 6.134 1.00 0.00 C ATOM 1432 OG SER A 96 -9.658 27.118 4.782 1.00 0.00 O ATOM 0 H SER A 96 -11.795 26.148 4.480 1.00 0.00 H new ATOM 0 HA SER A 96 -11.881 26.960 7.286 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.540 27.751 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.793 26.030 6.523 1.00 0.00 H new ATOM 0 HG SER A 96 -9.015 26.408 4.578 1.00 0.00 H new ATOM 1438 N GLY A 97 -11.948 29.062 4.743 1.00 0.00 N ATOM 1439 CA GLY A 97 -12.270 30.432 4.386 1.00 0.00 C ATOM 1440 C GLY A 97 -11.555 30.887 3.130 1.00 0.00 C ATOM 1441 O GLY A 97 -10.846 30.118 2.480 1.00 0.00 O ATOM 0 H GLY A 97 -11.746 28.449 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -13.346 30.523 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.003 31.092 5.212 1.00 0.00 H new ATOM 1445 N PRO A 98 -11.739 32.166 2.770 1.00 0.00 N ATOM 1446 CA PRO A 98 -11.114 32.751 1.580 1.00 0.00 C ATOM 1447 C PRO A 98 -9.606 32.910 1.736 1.00 0.00 C ATOM 1448 O PRO A 98 -9.078 32.861 2.847 1.00 0.00 O ATOM 1449 CB PRO A 98 -11.787 34.121 1.464 1.00 0.00 C ATOM 1450 CG PRO A 98 -12.218 34.451 2.852 1.00 0.00 C ATOM 1451 CD PRO A 98 -12.571 33.140 3.498 1.00 0.00 C ATOM 0 HA PRO A 98 -11.243 32.121 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.096 34.870 1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -12.637 34.088 0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.421 34.954 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -13.074 35.126 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -12.345 33.144 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.633 32.916 3.398 1.00 0.00 H new ATOM 1459 N SER A 99 -8.917 33.101 0.615 1.00 0.00 N ATOM 1460 CA SER A 99 -7.468 33.264 0.627 1.00 0.00 C ATOM 1461 C SER A 99 -7.049 34.467 -0.212 1.00 0.00 C ATOM 1462 O SER A 99 -6.245 35.292 0.223 1.00 0.00 O ATOM 1463 CB SER A 99 -6.787 31.999 0.101 1.00 0.00 C ATOM 1464 OG SER A 99 -5.382 32.170 0.026 1.00 0.00 O ATOM 0 H SER A 99 -9.339 33.147 -0.313 1.00 0.00 H new ATOM 0 HA SER A 99 -7.155 33.435 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.020 31.158 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.180 31.754 -0.886 1.00 0.00 H new ATOM 0 HG SER A 99 -4.970 31.347 -0.311 1.00 0.00 H new ATOM 1470 N SER A 100 -7.602 34.561 -1.417 1.00 0.00 N ATOM 1471 CA SER A 100 -7.284 35.661 -2.320 1.00 0.00 C ATOM 1472 C SER A 100 -7.218 36.984 -1.563 1.00 0.00 C ATOM 1473 O SER A 100 -7.707 37.094 -0.440 1.00 0.00 O ATOM 1474 CB SER A 100 -8.326 35.750 -3.437 1.00 0.00 C ATOM 1475 OG SER A 100 -8.147 34.713 -4.385 1.00 0.00 O ATOM 0 H SER A 100 -8.272 33.889 -1.790 1.00 0.00 H new ATOM 0 HA SER A 100 -6.306 35.466 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.327 35.688 -3.010 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.250 36.718 -3.933 1.00 0.00 H new ATOM 0 HG SER A 100 -8.826 34.791 -5.087 1.00 0.00 H new ATOM 1481 N GLY A 101 -6.610 37.987 -2.189 1.00 0.00 N ATOM 1482 CA GLY A 101 -6.491 39.290 -1.560 1.00 0.00 C ATOM 1483 C GLY A 101 -5.237 40.027 -1.986 1.00 0.00 C ATOM 1484 O GLY A 101 -4.149 39.760 -1.475 1.00 0.00 O ATOM 0 H GLY A 101 -6.198 37.921 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.365 39.892 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.487 39.168 -0.477 1.00 0.00 H new TER 1488 GLY A 101