USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 119 SER OG : rot 180:sc= 0.471 USER MOD Set 1.2: A 132 SER OG : rot 91:sc= 0.505 USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.189 USER MOD Set 2.2: A 109 THR OG1 : rot -60:sc= 0.201 USER MOD Set 3.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 87 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -0:sc= 0.234 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 117:sc= 0.581 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0224) USER MOD Single : A 85 SER OG : rot 96:sc= -0.202 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -157:sc= -0.373 (180deg=-1.28!) USER MOD Single : A 99 ASN : amide:sc= -0.0215 K(o=-0.022,f=-1) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 112 ASN : amide:sc= -0.0043 K(o=-0.0043,f=-0.74) USER MOD Single : A 116 TYR OH : rot 140:sc= 0.0274 USER MOD Single : A 123 SER OG : rot 180:sc= -0.118 USER MOD Single : A 124 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.8!) USER MOD Single : A 126 ASN : amide:sc= -3.03! C(o=-3!,f=-4.1!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 -64.193 76.109 149.775 1.00 62.51 N ATOM 35 CA ALA A 3 -63.184 75.345 149.044 1.00 55.43 C ATOM 36 C ALA A 3 -63.131 75.784 147.581 1.00 72.43 C ATOM 37 O ALA A 3 -63.990 75.420 146.776 1.00 13.12 O ATOM 38 CB ALA A 3 -63.465 73.850 149.141 1.00 74.12 C ATOM 0 HA ALA A 3 -62.213 75.542 149.499 1.00 55.43 H new ATOM 0 HB1 ALA A 3 -62.702 73.300 148.590 1.00 74.12 H new ATOM 0 HB2 ALA A 3 -63.449 73.544 150.187 1.00 74.12 H new ATOM 0 HB3 ALA A 3 -64.445 73.636 148.715 1.00 74.12 H new ATOM 44 N ARG A 4 -62.148 76.611 147.251 1.00 45.44 N ATOM 45 CA ARG A 4 -61.932 77.046 145.872 1.00 3.35 C ATOM 46 C ARG A 4 -60.605 76.489 145.372 1.00 24.54 C ATOM 47 O ARG A 4 -59.551 76.811 145.925 1.00 5.34 O ATOM 48 CB ARG A 4 -61.905 78.577 145.776 1.00 21.00 C ATOM 49 CG ARG A 4 -63.130 79.276 146.344 1.00 63.14 C ATOM 50 CD ARG A 4 -62.943 80.784 146.361 1.00 74.52 C ATOM 51 NE ARG A 4 -63.949 81.457 147.186 1.00 62.05 N ATOM 52 CZ ARG A 4 -64.121 82.778 147.255 1.00 20.12 C ATOM 53 NH1 ARG A 4 -63.434 83.595 146.470 1.00 1.23 N ATOM 54 NH2 ARG A 4 -65.006 83.275 148.101 1.00 65.40 N ATOM 0 H ARG A 4 -61.483 76.997 147.921 1.00 45.44 H new ATOM 0 HA ARG A 4 -62.754 76.675 145.259 1.00 3.35 H new ATOM 0 HB2 ARG A 4 -61.021 78.944 146.298 1.00 21.00 H new ATOM 0 HB3 ARG A 4 -61.797 78.859 144.729 1.00 21.00 H new ATOM 0 HG2 ARG A 4 -64.006 79.022 145.747 1.00 63.14 H new ATOM 0 HG3 ARG A 4 -63.319 78.919 147.356 1.00 63.14 H new ATOM 0 HD2 ARG A 4 -61.948 81.021 146.739 1.00 74.52 H new ATOM 0 HD3 ARG A 4 -62.996 81.167 145.342 1.00 74.52 H new ATOM 0 HE ARG A 4 -64.565 80.871 147.750 1.00 62.05 H new ATOM 0 HH11 ARG A 4 -62.763 83.216 145.802 1.00 1.23 H new ATOM 0 HH12 ARG A 4 -63.576 84.603 146.534 1.00 1.23 H new ATOM 0 HH21 ARG A 4 -65.551 82.650 148.695 1.00 65.40 H new ATOM 0 HH22 ARG A 4 -65.144 84.284 148.160 1.00 65.40 H new ATOM 68 N ASP A 5 -60.650 75.644 144.349 1.00 12.24 N ATOM 69 CA ASP A 5 -59.433 75.049 143.807 1.00 13.50 C ATOM 70 C ASP A 5 -59.413 75.145 142.280 1.00 20.25 C ATOM 71 O ASP A 5 -60.236 74.532 141.596 1.00 52.20 O ATOM 72 CB ASP A 5 -59.293 73.591 144.262 1.00 0.23 C ATOM 73 CG ASP A 5 -57.949 72.996 143.881 1.00 44.51 C ATOM 74 OD1 ASP A 5 -56.932 73.387 144.481 1.00 41.33 O ATOM 75 OD2 ASP A 5 -57.905 72.153 142.969 1.00 62.33 O ATOM 0 H ASP A 5 -61.509 75.356 143.880 1.00 12.24 H new ATOM 0 HA ASP A 5 -58.581 75.609 144.192 1.00 13.50 H new ATOM 0 HB2 ASP A 5 -59.419 73.536 145.343 1.00 0.23 H new ATOM 0 HB3 ASP A 5 -60.091 72.996 143.818 1.00 0.23 H new ATOM 80 N ASN A 6 -58.462 75.913 141.763 1.00 0.13 N ATOM 81 CA ASN A 6 -58.355 76.175 140.330 1.00 33.54 C ATOM 82 C ASN A 6 -56.985 75.742 139.806 1.00 21.14 C ATOM 83 O ASN A 6 -55.959 76.047 140.418 1.00 54.02 O ATOM 84 CB ASN A 6 -58.574 77.678 140.072 1.00 52.14 C ATOM 85 CG ASN A 6 -58.487 78.075 138.606 1.00 71.24 C ATOM 86 OD1 ASN A 6 -58.865 77.324 137.711 1.00 13.02 O ATOM 87 ND2 ASN A 6 -57.968 79.262 138.352 1.00 40.51 N ATOM 0 H ASN A 6 -57.743 76.372 142.323 1.00 0.13 H new ATOM 0 HA ASN A 6 -59.117 75.601 139.803 1.00 33.54 H new ATOM 0 HB2 ASN A 6 -59.553 77.963 140.457 1.00 52.14 H new ATOM 0 HB3 ASN A 6 -57.833 78.244 140.635 1.00 52.14 H new ATOM 0 HD21 ASN A 6 -57.871 79.580 137.388 1.00 40.51 H new ATOM 0 HD22 ASN A 6 -57.664 79.861 139.120 1.00 40.51 H new ATOM 94 N LYS A 7 -56.986 75.025 138.680 1.00 3.14 N ATOM 95 CA LYS A 7 -55.759 74.644 137.983 1.00 43.11 C ATOM 96 C LYS A 7 -56.040 74.441 136.491 1.00 54.13 C ATOM 97 O LYS A 7 -57.182 74.166 136.100 1.00 23.23 O ATOM 98 CB LYS A 7 -55.153 73.366 138.590 1.00 0.54 C ATOM 99 CG LYS A 7 -56.025 72.113 138.458 1.00 53.23 C ATOM 100 CD LYS A 7 -55.412 70.909 139.165 1.00 1.34 C ATOM 101 CE LYS A 7 -54.077 70.502 138.558 1.00 45.00 C ATOM 102 NZ LYS A 7 -53.475 69.362 139.280 1.00 74.01 N ATOM 0 H LYS A 7 -57.838 74.693 138.227 1.00 3.14 H new ATOM 0 HA LYS A 7 -55.036 75.451 138.101 1.00 43.11 H new ATOM 0 HB2 LYS A 7 -54.192 73.174 138.112 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -54.954 73.542 139.647 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -57.012 72.313 138.875 1.00 53.23 H new ATOM 0 HG3 LYS A 7 -56.166 71.880 137.403 1.00 53.23 H new ATOM 0 HD2 LYS A 7 -55.273 71.142 140.221 1.00 1.34 H new ATOM 0 HD3 LYS A 7 -56.104 70.068 139.113 1.00 1.34 H new ATOM 0 HE2 LYS A 7 -54.219 70.236 137.511 1.00 45.00 H new ATOM 0 HE3 LYS A 7 -53.393 71.350 138.581 1.00 45.00 H new ATOM 0 HZ1 LYS A 7 -52.567 69.112 138.839 1.00 74.01 H new ATOM 0 HZ2 LYS A 7 -53.317 69.625 140.274 1.00 74.01 H new ATOM 0 HZ3 LYS A 7 -54.117 68.545 139.236 1.00 74.01 H new ATOM 116 N PHE A 8 -55.001 74.616 135.675 1.00 71.13 N ATOM 117 CA PHE A 8 -55.068 74.349 134.239 1.00 3.31 C ATOM 118 C PHE A 8 -53.675 73.988 133.713 1.00 70.50 C ATOM 119 O PHE A 8 -52.682 74.627 134.078 1.00 1.32 O ATOM 120 CB PHE A 8 -55.670 75.545 133.447 1.00 31.21 C ATOM 121 CG PHE A 8 -55.000 76.891 133.644 1.00 5.32 C ATOM 122 CD1 PHE A 8 -55.420 77.752 134.647 1.00 21.12 C ATOM 123 CD2 PHE A 8 -53.968 77.305 132.811 1.00 12.23 C ATOM 124 CE1 PHE A 8 -54.819 78.982 134.820 1.00 43.32 C ATOM 125 CE2 PHE A 8 -53.367 78.533 132.982 1.00 1.04 C ATOM 126 CZ PHE A 8 -53.792 79.373 133.986 1.00 75.53 C ATOM 0 H PHE A 8 -54.089 74.947 135.991 1.00 71.13 H new ATOM 0 HA PHE A 8 -55.739 73.504 134.086 1.00 3.31 H new ATOM 0 HB2 PHE A 8 -55.640 75.301 132.385 1.00 31.21 H new ATOM 0 HB3 PHE A 8 -56.720 75.643 133.722 1.00 31.21 H new ATOM 0 HD1 PHE A 8 -56.227 77.456 135.301 1.00 21.12 H new ATOM 0 HD2 PHE A 8 -53.632 76.654 132.017 1.00 12.23 H new ATOM 0 HE1 PHE A 8 -55.153 79.639 135.609 1.00 43.32 H new ATOM 0 HE2 PHE A 8 -52.563 78.836 132.328 1.00 1.04 H new ATOM 0 HZ PHE A 8 -53.322 80.336 134.121 1.00 75.53 H new ATOM 136 N ASN A 9 -53.598 72.935 132.900 1.00 44.03 N ATOM 137 CA ASN A 9 -52.338 72.543 132.274 1.00 42.03 C ATOM 138 C ASN A 9 -52.580 71.947 130.892 1.00 35.40 C ATOM 139 O ASN A 9 -53.308 70.964 130.726 1.00 53.22 O ATOM 140 CB ASN A 9 -51.501 71.592 133.172 1.00 73.21 C ATOM 141 CG ASN A 9 -52.183 70.289 133.569 1.00 53.50 C ATOM 142 OD1 ASN A 9 -52.061 69.271 132.885 1.00 3.14 O ATOM 143 ND2 ASN A 9 -52.877 70.303 134.695 1.00 4.24 N ATOM 0 H ASN A 9 -54.391 72.340 132.661 1.00 44.03 H new ATOM 0 HA ASN A 9 -51.744 73.448 132.150 1.00 42.03 H new ATOM 0 HB2 ASN A 9 -50.574 71.352 132.651 1.00 73.21 H new ATOM 0 HB3 ASN A 9 -51.226 72.128 134.080 1.00 73.21 H new ATOM 0 HD21 ASN A 9 -53.333 69.452 135.024 1.00 4.24 H new ATOM 0 HD22 ASN A 9 -52.956 71.165 135.235 1.00 4.24 H new ATOM 150 N THR A 10 -52.008 72.602 129.892 1.00 40.40 N ATOM 151 CA THR A 10 -52.033 72.127 128.521 1.00 51.31 C ATOM 152 C THR A 10 -50.818 72.657 127.752 1.00 4.22 C ATOM 153 O THR A 10 -50.529 73.856 127.761 1.00 61.23 O ATOM 154 CB THR A 10 -53.373 72.500 127.797 1.00 4.35 C ATOM 155 OG1 THR A 10 -53.324 72.125 126.411 1.00 72.13 O ATOM 156 CG2 THR A 10 -53.720 73.992 127.906 1.00 41.13 C ATOM 0 H THR A 10 -51.511 73.484 130.013 1.00 40.40 H new ATOM 0 HA THR A 10 -51.980 71.039 128.543 1.00 51.31 H new ATOM 0 HB THR A 10 -54.157 71.941 128.308 1.00 4.35 H new ATOM 0 HG1 THR A 10 -54.169 72.365 125.977 1.00 72.13 H new ATOM 0 HG21 THR A 10 -54.658 74.186 127.385 1.00 41.13 H new ATOM 0 HG22 THR A 10 -53.825 74.265 128.956 1.00 41.13 H new ATOM 0 HG23 THR A 10 -52.924 74.585 127.454 1.00 41.13 H new ATOM 164 N TRP A 11 -50.082 71.744 127.128 1.00 74.51 N ATOM 165 CA TRP A 11 -48.978 72.116 126.255 1.00 11.22 C ATOM 166 C TRP A 11 -48.913 71.171 125.060 1.00 24.32 C ATOM 167 O TRP A 11 -48.642 69.975 125.213 1.00 21.44 O ATOM 168 CB TRP A 11 -47.635 72.126 127.011 1.00 52.41 C ATOM 169 CG TRP A 11 -46.486 72.618 126.177 1.00 41.01 C ATOM 170 CD1 TRP A 11 -45.392 71.901 125.789 1.00 42.13 C ATOM 171 CD2 TRP A 11 -46.336 73.925 125.599 1.00 62.12 C ATOM 172 NE1 TRP A 11 -44.565 72.684 125.020 1.00 54.10 N ATOM 173 CE2 TRP A 11 -45.121 73.928 124.888 1.00 1.21 C ATOM 174 CE3 TRP A 11 -47.105 75.094 125.618 1.00 13.32 C ATOM 175 CZ2 TRP A 11 -44.664 75.048 124.203 1.00 33.11 C ATOM 176 CZ3 TRP A 11 -46.651 76.202 124.937 1.00 5.50 C ATOM 177 CH2 TRP A 11 -45.440 76.174 124.238 1.00 62.41 C ATOM 0 H TRP A 11 -50.232 70.739 127.212 1.00 74.51 H new ATOM 0 HA TRP A 11 -49.160 73.130 125.897 1.00 11.22 H new ATOM 0 HB2 TRP A 11 -47.729 72.756 127.895 1.00 52.41 H new ATOM 0 HB3 TRP A 11 -47.415 71.117 127.360 1.00 52.41 H new ATOM 0 HD1 TRP A 11 -45.204 70.870 126.048 1.00 42.13 H new ATOM 0 HE1 TRP A 11 -43.679 72.386 124.613 1.00 54.10 H new ATOM 0 HE3 TRP A 11 -48.040 75.127 126.158 1.00 13.32 H new ATOM 0 HZ2 TRP A 11 -43.729 75.030 123.662 1.00 33.11 H new ATOM 0 HZ3 TRP A 11 -47.240 77.107 124.943 1.00 5.50 H new ATOM 0 HH2 TRP A 11 -45.111 77.060 123.715 1.00 62.41 H new ATOM 188 N ASN A 12 -49.183 71.709 123.876 1.00 5.42 N ATOM 189 CA ASN A 12 -49.159 70.928 122.646 1.00 54.50 C ATOM 190 C ASN A 12 -48.627 71.771 121.487 1.00 64.31 C ATOM 191 O ASN A 12 -48.830 72.988 121.445 1.00 31.31 O ATOM 192 CB ASN A 12 -50.558 70.356 122.324 1.00 50.33 C ATOM 193 CG ASN A 12 -51.641 71.408 122.123 1.00 4.51 C ATOM 194 OD1 ASN A 12 -51.867 71.866 121.013 1.00 22.53 O ATOM 195 ND2 ASN A 12 -52.323 71.784 123.196 1.00 13.15 N ATOM 0 H ASN A 12 -49.423 72.691 123.742 1.00 5.42 H new ATOM 0 HA ASN A 12 -48.484 70.084 122.790 1.00 54.50 H new ATOM 0 HB2 ASN A 12 -50.489 69.748 121.422 1.00 50.33 H new ATOM 0 HB3 ASN A 12 -50.860 69.692 123.134 1.00 50.33 H new ATOM 0 HD21 ASN A 12 -53.065 72.478 123.111 1.00 13.15 H new ATOM 0 HD22 ASN A 12 -52.105 71.379 124.106 1.00 13.15 H new ATOM 202 N ASP A 13 -47.925 71.106 120.570 1.00 21.40 N ATOM 203 CA ASP A 13 -47.353 71.737 119.378 1.00 33.25 C ATOM 204 C ASP A 13 -47.024 70.648 118.353 1.00 52.21 C ATOM 205 O ASP A 13 -46.786 69.498 118.729 1.00 63.22 O ATOM 206 CB ASP A 13 -46.083 72.543 119.735 1.00 75.54 C ATOM 207 CG ASP A 13 -45.584 73.419 118.596 1.00 23.42 C ATOM 208 OD1 ASP A 13 -46.158 74.510 118.380 1.00 2.44 O ATOM 209 OD2 ASP A 13 -44.617 73.024 117.916 1.00 13.21 O ATOM 0 H ASP A 13 -47.735 70.106 120.633 1.00 21.40 H new ATOM 0 HA ASP A 13 -48.078 72.434 118.957 1.00 33.25 H new ATOM 0 HB2 ASP A 13 -46.291 73.170 120.602 1.00 75.54 H new ATOM 0 HB3 ASP A 13 -45.292 71.851 120.025 1.00 75.54 H new ATOM 214 N SER A 14 -47.032 71.002 117.069 1.00 23.01 N ATOM 215 CA SER A 14 -46.742 70.053 116.006 1.00 24.41 C ATOM 216 C SER A 14 -45.934 70.722 114.896 1.00 34.44 C ATOM 217 O SER A 14 -46.368 71.730 114.326 1.00 25.00 O ATOM 218 CB SER A 14 -48.045 69.482 115.436 1.00 41.03 C ATOM 219 OG SER A 14 -47.796 68.434 114.514 1.00 15.55 O ATOM 0 H SER A 14 -47.238 71.946 116.743 1.00 23.01 H new ATOM 0 HA SER A 14 -46.151 69.238 116.423 1.00 24.41 H new ATOM 0 HB2 SER A 14 -48.667 69.111 116.250 1.00 41.03 H new ATOM 0 HB3 SER A 14 -48.606 70.276 114.943 1.00 41.03 H new ATOM 0 HG SER A 14 -48.647 68.091 114.171 1.00 15.55 H new ATOM 225 N ARG A 15 -44.753 70.169 114.616 1.00 55.43 N ATOM 226 CA ARG A 15 -43.939 70.609 113.485 1.00 32.42 C ATOM 227 C ARG A 15 -43.026 69.468 113.040 1.00 32.12 C ATOM 228 O ARG A 15 -42.263 68.931 113.844 1.00 73.44 O ATOM 229 CB ARG A 15 -43.107 71.852 113.854 1.00 33.34 C ATOM 230 CG ARG A 15 -42.584 72.639 112.651 1.00 62.44 C ATOM 231 CD ARG A 15 -43.719 73.142 111.756 1.00 31.23 C ATOM 232 NE ARG A 15 -44.707 73.939 112.493 1.00 71.55 N ATOM 233 CZ ARG A 15 -45.759 74.557 111.952 1.00 12.04 C ATOM 234 NH1 ARG A 15 -45.981 74.517 110.648 1.00 32.54 N ATOM 235 NH2 ARG A 15 -46.600 75.208 112.725 1.00 11.23 N ATOM 0 H ARG A 15 -44.339 69.412 115.160 1.00 55.43 H new ATOM 0 HA ARG A 15 -44.600 70.884 112.663 1.00 32.42 H new ATOM 0 HB2 ARG A 15 -43.717 72.514 114.469 1.00 33.34 H new ATOM 0 HB3 ARG A 15 -42.260 71.540 114.465 1.00 33.34 H new ATOM 0 HG2 ARG A 15 -41.996 73.487 113.001 1.00 62.44 H new ATOM 0 HG3 ARG A 15 -41.915 72.006 112.067 1.00 62.44 H new ATOM 0 HD2 ARG A 15 -43.301 73.744 110.949 1.00 31.23 H new ATOM 0 HD3 ARG A 15 -44.217 72.290 111.293 1.00 31.23 H new ATOM 0 HE ARG A 15 -44.579 74.028 113.501 1.00 71.55 H new ATOM 0 HH11 ARG A 15 -45.342 74.007 110.037 1.00 32.54 H new ATOM 0 HH12 ARG A 15 -46.791 74.996 110.254 1.00 32.54 H new ATOM 0 HH21 ARG A 15 -46.447 75.239 113.733 1.00 11.23 H new ATOM 0 HH22 ARG A 15 -47.406 75.682 112.317 1.00 11.23 H new ATOM 249 N GLY A 16 -43.136 69.079 111.771 1.00 14.14 N ATOM 250 CA GLY A 16 -42.305 68.010 111.239 1.00 63.42 C ATOM 251 C GLY A 16 -42.760 67.557 109.870 1.00 24.44 C ATOM 252 O GLY A 16 -43.368 66.500 109.732 1.00 64.42 O ATOM 0 H GLY A 16 -43.788 69.486 111.100 1.00 14.14 H new ATOM 0 HA2 GLY A 16 -41.271 68.351 111.182 1.00 63.42 H new ATOM 0 HA3 GLY A 16 -42.324 67.163 111.925 1.00 63.42 H new ATOM 256 N ASN A 17 -42.472 68.377 108.864 1.00 20.01 N ATOM 257 CA ASN A 17 -42.847 68.085 107.479 1.00 2.33 C ATOM 258 C ASN A 17 -41.633 68.207 106.583 1.00 21.41 C ATOM 259 O ASN A 17 -41.085 69.299 106.422 1.00 45.24 O ATOM 260 CB ASN A 17 -43.952 69.034 106.991 1.00 4.32 C ATOM 261 CG ASN A 17 -45.306 68.718 107.587 1.00 24.41 C ATOM 262 OD1 ASN A 17 -45.637 69.170 108.678 1.00 25.33 O ATOM 263 ND2 ASN A 17 -46.108 67.952 106.867 1.00 21.22 N ATOM 0 H ASN A 17 -41.974 69.260 108.982 1.00 20.01 H new ATOM 0 HA ASN A 17 -43.232 67.066 107.438 1.00 2.33 H new ATOM 0 HB2 ASN A 17 -43.680 70.059 107.242 1.00 4.32 H new ATOM 0 HB3 ASN A 17 -44.017 68.979 105.904 1.00 4.32 H new ATOM 0 HD21 ASN A 17 -47.038 67.718 107.215 1.00 21.22 H new ATOM 0 HD22 ASN A 17 -45.797 67.595 105.964 1.00 21.22 H new ATOM 270 N TYR A 18 -41.191 67.075 106.037 1.00 32.41 N ATOM 271 CA TYR A 18 -39.990 67.028 105.200 1.00 5.24 C ATOM 272 C TYR A 18 -40.198 66.153 103.964 1.00 2.33 C ATOM 273 O TYR A 18 -41.042 65.250 103.964 1.00 60.41 O ATOM 274 CB TYR A 18 -38.781 66.509 105.990 1.00 14.33 C ATOM 275 CG TYR A 18 -38.282 67.454 107.059 1.00 61.12 C ATOM 276 CD1 TYR A 18 -37.479 68.534 106.732 1.00 51.51 C ATOM 277 CD2 TYR A 18 -38.604 67.254 108.393 1.00 4.22 C ATOM 278 CE1 TYR A 18 -37.024 69.400 107.707 1.00 11.35 C ATOM 279 CE2 TYR A 18 -38.155 68.109 109.368 1.00 3.34 C ATOM 280 CZ TYR A 18 -37.359 69.173 109.026 1.00 33.52 C ATOM 281 OH TYR A 18 -36.908 70.023 110.005 1.00 65.30 O ATOM 0 H TYR A 18 -41.649 66.172 106.160 1.00 32.41 H new ATOM 0 HA TYR A 18 -39.794 68.050 104.877 1.00 5.24 H new ATOM 0 HB2 TYR A 18 -39.047 65.560 106.456 1.00 14.33 H new ATOM 0 HB3 TYR A 18 -37.968 66.305 105.294 1.00 14.33 H new ATOM 0 HD1 TYR A 18 -37.205 68.701 105.701 1.00 51.51 H new ATOM 0 HD2 TYR A 18 -39.219 66.410 108.669 1.00 4.22 H new ATOM 0 HE1 TYR A 18 -36.411 70.248 107.439 1.00 11.35 H new ATOM 0 HE2 TYR A 18 -38.427 67.945 110.400 1.00 3.34 H new ATOM 0 HH TYR A 18 -37.236 69.720 110.878 1.00 65.30 H new ATOM 291 N TRP A 19 -39.424 66.453 102.917 1.00 51.42 N ATOM 292 CA TRP A 19 -39.467 65.735 101.640 1.00 21.40 C ATOM 293 C TRP A 19 -38.207 66.063 100.833 1.00 74.15 C ATOM 294 O TRP A 19 -37.607 67.120 101.032 1.00 70.42 O ATOM 295 CB TRP A 19 -40.738 66.099 100.835 1.00 74.40 C ATOM 296 CG TRP A 19 -40.897 67.567 100.516 1.00 5.15 C ATOM 297 CD1 TRP A 19 -41.371 68.538 101.350 1.00 42.33 C ATOM 298 CD2 TRP A 19 -40.589 68.220 99.279 1.00 42.31 C ATOM 299 NE1 TRP A 19 -41.365 69.751 100.712 1.00 45.10 N ATOM 300 CE2 TRP A 19 -40.894 69.584 99.439 1.00 52.34 C ATOM 301 CE3 TRP A 19 -40.075 67.788 98.058 1.00 14.31 C ATOM 302 CZ2 TRP A 19 -40.717 70.509 98.416 1.00 54.43 C ATOM 303 CZ3 TRP A 19 -39.898 68.705 97.044 1.00 21.11 C ATOM 304 CH2 TRP A 19 -40.213 70.057 97.230 1.00 2.33 C ATOM 0 H TRP A 19 -38.741 67.211 102.933 1.00 51.42 H new ATOM 0 HA TRP A 19 -39.502 64.664 101.840 1.00 21.40 H new ATOM 0 HB2 TRP A 19 -40.730 65.539 99.900 1.00 74.40 H new ATOM 0 HB3 TRP A 19 -41.612 65.769 101.397 1.00 74.40 H new ATOM 0 HD1 TRP A 19 -41.702 68.374 102.365 1.00 42.33 H new ATOM 0 HE1 TRP A 19 -41.664 70.636 101.121 1.00 45.10 H new ATOM 0 HE3 TRP A 19 -39.819 66.750 97.908 1.00 14.31 H new ATOM 0 HZ2 TRP A 19 -40.970 71.550 98.555 1.00 54.43 H new ATOM 0 HZ3 TRP A 19 -39.510 68.376 96.091 1.00 21.11 H new ATOM 0 HH2 TRP A 19 -40.054 70.755 96.421 1.00 2.33 H new ATOM 315 N SER A 20 -37.792 65.163 99.940 1.00 22.40 N ATOM 316 CA SER A 20 -36.630 65.414 99.078 1.00 35.22 C ATOM 317 C SER A 20 -36.809 64.771 97.704 1.00 73.32 C ATOM 318 O SER A 20 -36.357 63.653 97.465 1.00 11.43 O ATOM 319 CB SER A 20 -35.320 64.922 99.725 1.00 50.21 C ATOM 320 OG SER A 20 -35.015 65.658 100.900 1.00 54.45 O ATOM 0 H SER A 20 -38.239 64.258 99.793 1.00 22.40 H new ATOM 0 HA SER A 20 -36.560 66.494 98.951 1.00 35.22 H new ATOM 0 HB2 SER A 20 -35.408 63.863 99.969 1.00 50.21 H new ATOM 0 HB3 SER A 20 -34.502 65.017 99.011 1.00 50.21 H new ATOM 0 HG SER A 20 -35.707 66.335 101.051 1.00 54.45 H new ATOM 326 N ASP A 21 -37.483 65.479 96.802 1.00 4.20 N ATOM 327 CA ASP A 21 -37.710 64.964 95.448 1.00 71.10 C ATOM 328 C ASP A 21 -36.779 65.630 94.454 1.00 11.43 C ATOM 329 O ASP A 21 -36.736 66.856 94.349 1.00 5.30 O ATOM 330 CB ASP A 21 -39.161 65.151 94.990 1.00 11.43 C ATOM 331 CG ASP A 21 -40.140 64.323 95.790 1.00 41.32 C ATOM 332 OD1 ASP A 21 -40.125 63.082 95.667 1.00 13.33 O ATOM 333 OD2 ASP A 21 -40.921 64.911 96.561 1.00 70.32 O ATOM 0 H ASP A 21 -37.879 66.402 96.978 1.00 4.20 H new ATOM 0 HA ASP A 21 -37.502 63.895 95.484 1.00 71.10 H new ATOM 0 HB2 ASP A 21 -39.430 66.204 95.073 1.00 11.43 H new ATOM 0 HB3 ASP A 21 -39.242 64.883 93.936 1.00 11.43 H new ATOM 338 N TYR A 22 -36.034 64.804 93.731 1.00 11.33 N ATOM 339 CA TYR A 22 -35.017 65.266 92.787 1.00 54.32 C ATOM 340 C TYR A 22 -35.089 64.453 91.503 1.00 73.45 C ATOM 341 O TYR A 22 -34.876 63.241 91.512 1.00 34.15 O ATOM 342 CB TYR A 22 -33.610 65.155 93.399 1.00 51.14 C ATOM 343 CG TYR A 22 -33.334 66.123 94.532 1.00 2.43 C ATOM 344 CD1 TYR A 22 -32.952 67.431 94.275 1.00 42.23 C ATOM 345 CD2 TYR A 22 -33.450 65.723 95.859 1.00 33.25 C ATOM 346 CE1 TYR A 22 -32.701 68.318 95.305 1.00 52.22 C ATOM 347 CE2 TYR A 22 -33.203 66.604 96.893 1.00 41.40 C ATOM 348 CZ TYR A 22 -32.825 67.897 96.612 1.00 72.44 C ATOM 349 OH TYR A 22 -32.576 68.770 97.646 1.00 33.10 O ATOM 0 H TYR A 22 -36.116 63.789 93.781 1.00 11.33 H new ATOM 0 HA TYR A 22 -35.212 66.314 92.560 1.00 54.32 H new ATOM 0 HB2 TYR A 22 -33.467 64.138 93.765 1.00 51.14 H new ATOM 0 HB3 TYR A 22 -32.873 65.317 92.613 1.00 51.14 H new ATOM 0 HD1 TYR A 22 -32.849 67.762 93.252 1.00 42.23 H new ATOM 0 HD2 TYR A 22 -33.738 64.707 96.084 1.00 33.25 H new ATOM 0 HE1 TYR A 22 -32.409 69.335 95.087 1.00 52.22 H new ATOM 0 HE2 TYR A 22 -33.306 66.280 97.918 1.00 41.40 H new ATOM 0 HH TYR A 22 -32.711 68.311 98.501 1.00 33.10 H new ATOM 848 N PRO A 59 -20.834 -2.878 14.805 1.00 53.10 N ATOM 849 CA PRO A 59 -19.797 -3.463 13.951 1.00 43.21 C ATOM 850 C PRO A 59 -18.761 -2.426 13.497 1.00 0.51 C ATOM 851 O PRO A 59 -19.098 -1.287 13.154 1.00 42.22 O ATOM 852 CB PRO A 59 -20.566 -4.030 12.763 1.00 73.13 C ATOM 853 CG PRO A 59 -21.841 -3.265 12.723 1.00 13.01 C ATOM 854 CD PRO A 59 -22.161 -2.900 14.145 1.00 60.13 C ATOM 0 HA PRO A 59 -19.219 -4.220 14.481 1.00 43.21 H new ATOM 0 HB2 PRO A 59 -20.005 -3.909 11.836 1.00 73.13 H new ATOM 0 HB3 PRO A 59 -20.751 -5.097 12.886 1.00 73.13 H new ATOM 0 HG2 PRO A 59 -21.739 -2.372 12.106 1.00 13.01 H new ATOM 0 HG3 PRO A 59 -22.640 -3.864 12.287 1.00 13.01 H new ATOM 0 HD2 PRO A 59 -22.657 -1.931 14.209 1.00 60.13 H new ATOM 0 HD3 PRO A 59 -22.826 -3.630 14.606 1.00 60.13 H new ATOM 862 N VAL A 60 -17.508 -2.845 13.495 1.00 11.54 N ATOM 863 CA VAL A 60 -16.384 -1.943 13.281 1.00 33.23 C ATOM 864 C VAL A 60 -15.994 -1.877 11.793 1.00 71.14 C ATOM 865 O VAL A 60 -16.009 -2.882 11.075 1.00 20.24 O ATOM 866 CB VAL A 60 -15.184 -2.392 14.176 1.00 2.03 C ATOM 867 CG1 VAL A 60 -14.683 -3.780 13.804 1.00 10.22 C ATOM 868 CG2 VAL A 60 -14.051 -1.373 14.168 1.00 73.22 C ATOM 0 H VAL A 60 -17.238 -3.818 13.641 1.00 11.54 H new ATOM 0 HA VAL A 60 -16.676 -0.933 13.570 1.00 33.23 H new ATOM 0 HB VAL A 60 -15.562 -2.447 15.197 1.00 2.03 H new ATOM 0 HG11 VAL A 60 -13.849 -4.051 14.451 1.00 10.22 H new ATOM 0 HG12 VAL A 60 -15.489 -4.503 13.928 1.00 10.22 H new ATOM 0 HG13 VAL A 60 -14.352 -3.781 12.766 1.00 10.22 H new ATOM 0 HG21 VAL A 60 -13.239 -1.727 14.803 1.00 73.22 H new ATOM 0 HG22 VAL A 60 -13.685 -1.244 13.149 1.00 73.22 H new ATOM 0 HG23 VAL A 60 -14.417 -0.418 14.546 1.00 73.22 H new ATOM 878 N LEU A 61 -15.703 -0.674 11.327 1.00 21.12 N ATOM 879 CA LEU A 61 -15.173 -0.474 9.990 1.00 1.24 C ATOM 880 C LEU A 61 -13.655 -0.800 9.970 1.00 12.13 C ATOM 881 O LEU A 61 -13.007 -0.743 11.017 1.00 42.51 O ATOM 882 CB LEU A 61 -15.509 0.952 9.411 1.00 53.04 C ATOM 883 CG LEU A 61 -15.467 2.235 10.310 1.00 24.52 C ATOM 884 CD1 LEU A 61 -16.666 2.332 11.245 1.00 43.15 C ATOM 885 CD2 LEU A 61 -14.170 2.358 11.095 1.00 72.11 C ATOM 0 H LEU A 61 -15.827 0.186 11.861 1.00 21.12 H new ATOM 0 HA LEU A 61 -15.672 -1.170 9.315 1.00 1.24 H new ATOM 0 HB2 LEU A 61 -14.825 1.125 8.581 1.00 53.04 H new ATOM 0 HB3 LEU A 61 -16.513 0.894 8.990 1.00 53.04 H new ATOM 0 HG LEU A 61 -15.516 3.075 9.617 1.00 24.52 H new ATOM 0 HD11 LEU A 61 -16.587 3.239 11.845 1.00 43.15 H new ATOM 0 HD12 LEU A 61 -17.584 2.364 10.658 1.00 43.15 H new ATOM 0 HD13 LEU A 61 -16.686 1.463 11.902 1.00 43.15 H new ATOM 0 HD21 LEU A 61 -14.196 3.264 11.700 1.00 72.11 H new ATOM 0 HD22 LEU A 61 -14.054 1.491 11.745 1.00 72.11 H new ATOM 0 HD23 LEU A 61 -13.329 2.407 10.403 1.00 72.11 H new ATOM 897 N PRO A 62 -13.062 -1.170 8.804 1.00 34.13 N ATOM 898 CA PRO A 62 -11.655 -1.589 8.741 1.00 64.14 C ATOM 899 C PRO A 62 -10.631 -0.468 8.940 1.00 42.04 C ATOM 900 O PRO A 62 -10.972 0.690 9.174 1.00 50.43 O ATOM 901 CB PRO A 62 -11.493 -2.136 7.339 1.00 54.20 C ATOM 902 CG PRO A 62 -12.547 -1.474 6.539 1.00 51.33 C ATOM 903 CD PRO A 62 -13.697 -1.248 7.478 1.00 60.50 C ATOM 0 HA PRO A 62 -11.460 -2.293 9.550 1.00 64.14 H new ATOM 0 HB2 PRO A 62 -10.502 -1.916 6.943 1.00 54.20 H new ATOM 0 HB3 PRO A 62 -11.609 -3.220 7.323 1.00 54.20 H new ATOM 0 HG2 PRO A 62 -12.189 -0.531 6.126 1.00 51.33 H new ATOM 0 HG3 PRO A 62 -12.847 -2.097 5.697 1.00 51.33 H new ATOM 0 HD2 PRO A 62 -14.234 -0.331 7.238 1.00 60.50 H new ATOM 0 HD3 PRO A 62 -14.419 -2.063 7.428 1.00 60.50 H new ATOM 911 N THR A 63 -9.369 -0.843 8.805 1.00 14.55 N ATOM 912 CA THR A 63 -8.253 0.036 9.039 1.00 42.13 C ATOM 913 C THR A 63 -7.137 -0.317 8.056 1.00 5.22 C ATOM 914 O THR A 63 -6.544 -1.389 8.149 1.00 24.03 O ATOM 915 CB THR A 63 -7.725 -0.114 10.489 1.00 30.11 C ATOM 916 OG1 THR A 63 -8.771 0.114 11.444 1.00 40.12 O ATOM 917 CG2 THR A 63 -6.604 0.860 10.738 1.00 55.40 C ATOM 0 H THR A 63 -9.095 -1.785 8.525 1.00 14.55 H new ATOM 0 HA THR A 63 -8.578 1.067 8.897 1.00 42.13 H new ATOM 0 HB THR A 63 -7.358 -1.133 10.607 1.00 30.11 H new ATOM 0 HG1 THR A 63 -8.414 0.012 12.351 1.00 40.12 H new ATOM 0 HG21 THR A 63 -6.242 0.745 11.760 1.00 55.40 H new ATOM 0 HG22 THR A 63 -5.790 0.664 10.040 1.00 55.40 H new ATOM 0 HG23 THR A 63 -6.968 1.878 10.595 1.00 55.40 H new ATOM 925 N ALA A 64 -6.880 0.559 7.096 1.00 51.11 N ATOM 926 CA ALA A 64 -5.814 0.339 6.134 1.00 11.31 C ATOM 927 C ALA A 64 -4.558 1.060 6.564 1.00 1.11 C ATOM 928 O ALA A 64 -4.528 2.286 6.625 1.00 2.22 O ATOM 929 CB ALA A 64 -6.228 0.800 4.759 1.00 53.30 C ATOM 0 H ALA A 64 -7.396 1.429 6.964 1.00 51.11 H new ATOM 0 HA ALA A 64 -5.611 -0.731 6.094 1.00 11.31 H new ATOM 0 HB1 ALA A 64 -5.414 0.625 4.056 1.00 53.30 H new ATOM 0 HB2 ALA A 64 -7.109 0.244 4.439 1.00 53.30 H new ATOM 0 HB3 ALA A 64 -6.461 1.864 4.787 1.00 53.30 H new ATOM 935 N ARG A 65 -3.537 0.286 6.898 1.00 72.05 N ATOM 936 CA ARG A 65 -2.226 0.815 7.270 1.00 64.44 C ATOM 937 C ARG A 65 -1.165 -0.093 6.666 1.00 4.45 C ATOM 938 O ARG A 65 -1.419 -1.277 6.503 1.00 22.32 O ATOM 939 CB ARG A 65 -2.063 0.880 8.801 1.00 70.33 C ATOM 940 CG ARG A 65 -2.898 1.960 9.477 1.00 51.33 C ATOM 941 CD ARG A 65 -2.859 1.857 10.989 1.00 34.03 C ATOM 942 NE ARG A 65 -3.676 2.902 11.622 1.00 31.23 N ATOM 943 CZ ARG A 65 -4.036 2.918 12.908 1.00 72.13 C ATOM 944 NH1 ARG A 65 -3.657 1.947 13.720 1.00 3.42 N ATOM 945 NH2 ARG A 65 -4.790 3.911 13.357 1.00 31.23 N ATOM 0 H ARG A 65 -3.591 -0.732 6.920 1.00 72.05 H new ATOM 0 HA ARG A 65 -2.122 1.832 6.891 1.00 64.44 H new ATOM 0 HB2 ARG A 65 -2.331 -0.088 9.224 1.00 70.33 H new ATOM 0 HB3 ARG A 65 -1.012 1.050 9.036 1.00 70.33 H new ATOM 0 HG2 ARG A 65 -2.534 2.941 9.173 1.00 51.33 H new ATOM 0 HG3 ARG A 65 -3.931 1.884 9.137 1.00 51.33 H new ATOM 0 HD2 ARG A 65 -3.219 0.876 11.297 1.00 34.03 H new ATOM 0 HD3 ARG A 65 -1.828 1.941 11.334 1.00 34.03 H new ATOM 0 HE ARG A 65 -3.992 3.674 11.035 1.00 31.23 H new ATOM 0 HH11 ARG A 65 -3.086 1.180 13.366 1.00 3.42 H new ATOM 0 HH12 ARG A 65 -3.935 1.965 14.701 1.00 3.42 H new ATOM 0 HH21 ARG A 65 -5.089 4.652 12.723 1.00 31.23 H new ATOM 0 HH22 ARG A 65 -5.072 3.935 14.337 1.00 31.23 H new ATOM 959 N PHE A 66 -0.019 0.467 6.273 1.00 25.43 N ATOM 960 CA PHE A 66 1.094 -0.328 5.731 1.00 65.41 C ATOM 961 C PHE A 66 2.405 0.443 5.810 1.00 31.40 C ATOM 962 O PHE A 66 2.404 1.676 5.850 1.00 35.04 O ATOM 963 CB PHE A 66 0.837 -0.824 4.278 1.00 24.21 C ATOM 964 CG PHE A 66 0.565 0.222 3.217 1.00 52.42 C ATOM 965 CD1 PHE A 66 -0.526 1.082 3.297 1.00 71.14 C ATOM 966 CD2 PHE A 66 1.384 0.310 2.110 1.00 51.15 C ATOM 967 CE1 PHE A 66 -0.782 1.996 2.305 1.00 74.05 C ATOM 968 CE2 PHE A 66 1.123 1.217 1.113 1.00 24.54 C ATOM 969 CZ PHE A 66 0.040 2.065 1.215 1.00 53.32 C ATOM 0 H PHE A 66 0.166 1.469 6.319 1.00 25.43 H new ATOM 0 HA PHE A 66 1.168 -1.217 6.358 1.00 65.41 H new ATOM 0 HB2 PHE A 66 1.704 -1.404 3.963 1.00 24.21 H new ATOM 0 HB3 PHE A 66 -0.012 -1.507 4.302 1.00 24.21 H new ATOM 0 HD1 PHE A 66 -1.182 1.030 4.153 1.00 71.14 H new ATOM 0 HD2 PHE A 66 2.241 -0.342 2.027 1.00 51.15 H new ATOM 0 HE1 PHE A 66 -1.631 2.659 2.386 1.00 74.05 H new ATOM 0 HE2 PHE A 66 1.767 1.267 0.247 1.00 24.54 H new ATOM 0 HZ PHE A 66 -0.159 2.784 0.434 1.00 53.32 H new ATOM 979 N THR A 67 3.514 -0.290 5.846 1.00 12.43 N ATOM 980 CA THR A 67 4.839 0.306 5.816 1.00 72.11 C ATOM 981 C THR A 67 5.653 -0.312 4.672 1.00 73.00 C ATOM 982 O THR A 67 5.333 -1.406 4.187 1.00 34.20 O ATOM 983 CB THR A 67 5.584 0.148 7.184 1.00 22.01 C ATOM 984 OG1 THR A 67 6.739 0.991 7.230 1.00 21.13 O ATOM 985 CG2 THR A 67 6.030 -1.290 7.449 1.00 63.34 C ATOM 0 H THR A 67 3.516 -1.309 5.897 1.00 12.43 H new ATOM 0 HA THR A 67 4.728 1.376 5.642 1.00 72.11 H new ATOM 0 HB THR A 67 4.867 0.436 7.953 1.00 22.01 H new ATOM 0 HG1 THR A 67 7.191 0.880 8.093 1.00 21.13 H new ATOM 0 HG21 THR A 67 6.541 -1.341 8.411 1.00 63.34 H new ATOM 0 HG22 THR A 67 5.158 -1.944 7.466 1.00 63.34 H new ATOM 0 HG23 THR A 67 6.709 -1.612 6.660 1.00 63.34 H new ATOM 993 N SER A 68 6.678 0.400 4.239 1.00 70.21 N ATOM 994 CA SER A 68 7.558 -0.081 3.193 1.00 12.11 C ATOM 995 C SER A 68 9.004 -0.111 3.681 1.00 24.12 C ATOM 996 O SER A 68 9.318 0.440 4.739 1.00 11.31 O ATOM 997 CB SER A 68 7.413 0.792 1.945 1.00 20.34 C ATOM 998 OG SER A 68 7.580 2.164 2.247 1.00 54.43 O ATOM 0 H SER A 68 6.922 1.322 4.601 1.00 70.21 H new ATOM 0 HA SER A 68 7.275 -1.101 2.932 1.00 12.11 H new ATOM 0 HB2 SER A 68 8.151 0.490 1.201 1.00 20.34 H new ATOM 0 HB3 SER A 68 6.430 0.633 1.502 1.00 20.34 H new ATOM 0 HG SER A 68 8.363 2.511 1.771 1.00 54.43 H new ATOM 1004 N ASP A 69 9.866 -0.784 2.913 1.00 74.32 N ATOM 1005 CA ASP A 69 11.294 -0.879 3.211 1.00 63.52 C ATOM 1006 C ASP A 69 11.945 0.490 3.104 1.00 34.14 C ATOM 1007 O ASP A 69 12.618 0.948 4.032 1.00 0.14 O ATOM 1008 CB ASP A 69 11.959 -1.860 2.245 1.00 51.31 C ATOM 1009 CG ASP A 69 13.408 -2.130 2.570 1.00 14.34 C ATOM 1010 OD1 ASP A 69 13.671 -2.795 3.588 1.00 70.31 O ATOM 1011 OD2 ASP A 69 14.283 -1.697 1.800 1.00 35.14 O ATOM 0 H ASP A 69 9.590 -1.279 2.065 1.00 74.32 H new ATOM 0 HA ASP A 69 11.422 -1.244 4.230 1.00 63.52 H new ATOM 0 HB2 ASP A 69 11.409 -2.801 2.259 1.00 51.31 H new ATOM 0 HB3 ASP A 69 11.889 -1.465 1.232 1.00 51.31 H new ATOM 1016 N ILE A 70 11.725 1.138 1.968 1.00 72.44 N ATOM 1017 CA ILE A 70 12.117 2.516 1.791 1.00 3.24 C ATOM 1018 C ILE A 70 10.917 3.372 1.435 1.00 24.12 C ATOM 1019 O ILE A 70 9.999 2.930 0.739 1.00 20.11 O ATOM 1020 CB ILE A 70 13.267 2.704 0.742 1.00 41.42 C ATOM 1021 CG1 ILE A 70 13.027 1.907 -0.557 1.00 41.13 C ATOM 1022 CG2 ILE A 70 14.612 2.327 1.340 1.00 60.31 C ATOM 1023 CD1 ILE A 70 12.360 2.697 -1.669 1.00 4.00 C ATOM 0 H ILE A 70 11.273 0.721 1.154 1.00 72.44 H new ATOM 0 HA ILE A 70 12.521 2.847 2.748 1.00 3.24 H new ATOM 0 HB ILE A 70 13.272 3.762 0.478 1.00 41.42 H new ATOM 0 HG12 ILE A 70 13.984 1.532 -0.919 1.00 41.13 H new ATOM 0 HG13 ILE A 70 12.411 1.038 -0.326 1.00 41.13 H new ATOM 0 HG21 ILE A 70 15.394 2.466 0.593 1.00 60.31 H new ATOM 0 HG22 ILE A 70 14.817 2.961 2.203 1.00 60.31 H new ATOM 0 HG23 ILE A 70 14.591 1.283 1.654 1.00 60.31 H new ATOM 0 HD11 ILE A 70 12.231 2.058 -2.542 1.00 4.00 H new ATOM 0 HD12 ILE A 70 11.386 3.050 -1.331 1.00 4.00 H new ATOM 0 HD13 ILE A 70 12.984 3.551 -1.933 1.00 4.00 H new ATOM 1035 N THR A 71 10.921 4.564 1.974 1.00 74.31 N ATOM 1036 CA THR A 71 9.957 5.594 1.621 1.00 55.22 C ATOM 1037 C THR A 71 10.702 6.743 0.958 1.00 23.21 C ATOM 1038 O THR A 71 10.121 7.557 0.239 1.00 74.20 O ATOM 1039 CB THR A 71 9.202 6.112 2.866 1.00 13.10 C ATOM 1040 OG1 THR A 71 9.722 5.499 4.052 1.00 0.33 O ATOM 1041 CG2 THR A 71 7.730 5.800 2.760 1.00 74.25 C ATOM 0 H THR A 71 11.598 4.858 2.679 1.00 74.31 H new ATOM 0 HA THR A 71 9.219 5.169 0.940 1.00 55.22 H new ATOM 0 HB THR A 71 9.340 7.192 2.920 1.00 13.10 H new ATOM 0 HG1 THR A 71 9.237 5.836 4.834 1.00 0.33 H new ATOM 0 HG21 THR A 71 7.215 6.172 3.645 1.00 74.25 H new ATOM 0 HG22 THR A 71 7.319 6.281 1.872 1.00 74.25 H new ATOM 0 HG23 THR A 71 7.591 4.721 2.686 1.00 74.25 H new ATOM 1049 N GLU A 72 12.010 6.756 1.204 1.00 43.44 N ATOM 1050 CA GLU A 72 12.920 7.748 0.681 1.00 64.44 C ATOM 1051 C GLU A 72 14.266 7.063 0.474 1.00 34.33 C ATOM 1052 O GLU A 72 14.666 6.224 1.287 1.00 3.45 O ATOM 1053 CB GLU A 72 13.055 8.924 1.663 1.00 64.44 C ATOM 1054 CG GLU A 72 13.852 10.098 1.116 1.00 25.12 C ATOM 1055 CD GLU A 72 13.180 10.744 -0.070 1.00 60.13 C ATOM 1056 OE1 GLU A 72 12.273 11.574 0.139 1.00 41.24 O ATOM 1057 OE2 GLU A 72 13.561 10.429 -1.209 1.00 44.41 O ATOM 0 H GLU A 72 12.468 6.056 1.788 1.00 43.44 H new ATOM 0 HA GLU A 72 12.549 8.153 -0.261 1.00 64.44 H new ATOM 0 HB2 GLU A 72 12.059 9.271 1.938 1.00 64.44 H new ATOM 0 HB3 GLU A 72 13.532 8.568 2.576 1.00 64.44 H new ATOM 0 HG2 GLU A 72 13.987 10.840 1.903 1.00 25.12 H new ATOM 0 HG3 GLU A 72 14.846 9.756 0.826 1.00 25.12 H new ATOM 1064 N GLY A 73 14.928 7.379 -0.620 1.00 21.54 N ATOM 1065 CA GLY A 73 16.176 6.727 -0.946 1.00 35.32 C ATOM 1066 C GLY A 73 16.205 6.347 -2.399 1.00 33.21 C ATOM 1067 O GLY A 73 15.211 6.534 -3.092 1.00 5.30 O ATOM 0 H GLY A 73 14.623 8.080 -1.295 1.00 21.54 H new ATOM 0 HA2 GLY A 73 17.010 7.391 -0.721 1.00 35.32 H new ATOM 0 HA3 GLY A 73 16.301 5.838 -0.328 1.00 35.32 H new ATOM 1071 N PHE A 74 17.326 5.796 -2.858 1.00 62.02 N ATOM 1072 CA PHE A 74 17.498 5.486 -4.280 1.00 14.45 C ATOM 1073 C PHE A 74 16.694 4.236 -4.625 1.00 12.34 C ATOM 1074 O PHE A 74 16.472 3.396 -3.745 1.00 52.40 O ATOM 1075 CB PHE A 74 18.996 5.317 -4.651 1.00 54.10 C ATOM 1076 CG PHE A 74 19.695 4.103 -4.071 1.00 32.41 C ATOM 1077 CD1 PHE A 74 20.207 4.118 -2.787 1.00 31.45 C ATOM 1078 CD2 PHE A 74 19.844 2.947 -4.829 1.00 52.44 C ATOM 1079 CE1 PHE A 74 20.855 3.016 -2.271 1.00 30.43 C ATOM 1080 CE2 PHE A 74 20.490 1.842 -4.318 1.00 41.21 C ATOM 1081 CZ PHE A 74 20.993 1.875 -3.035 1.00 72.12 C ATOM 0 H PHE A 74 18.126 5.555 -2.272 1.00 62.02 H new ATOM 0 HA PHE A 74 17.124 6.323 -4.870 1.00 14.45 H new ATOM 0 HB2 PHE A 74 19.077 5.273 -5.737 1.00 54.10 H new ATOM 0 HB3 PHE A 74 19.532 6.209 -4.327 1.00 54.10 H new ATOM 0 HD1 PHE A 74 20.098 5.005 -2.180 1.00 31.45 H new ATOM 0 HD2 PHE A 74 19.448 2.914 -5.833 1.00 52.44 H new ATOM 0 HE1 PHE A 74 21.255 3.046 -1.268 1.00 30.43 H new ATOM 0 HE2 PHE A 74 20.602 0.953 -4.921 1.00 41.21 H new ATOM 0 HZ PHE A 74 21.494 1.009 -2.628 1.00 72.12 H new ATOM 1091 N ALA A 75 16.227 4.168 -5.876 1.00 23.41 N ATOM 1092 CA ALA A 75 15.480 3.013 -6.403 1.00 22.01 C ATOM 1093 C ALA A 75 16.224 1.682 -6.206 1.00 41.34 C ATOM 1094 O ALA A 75 17.301 1.471 -6.769 1.00 51.04 O ATOM 1095 CB ALA A 75 15.163 3.216 -7.883 1.00 14.30 C ATOM 0 H ALA A 75 16.356 4.915 -6.558 1.00 23.41 H new ATOM 0 HA ALA A 75 14.554 2.952 -5.832 1.00 22.01 H new ATOM 0 HB1 ALA A 75 14.611 2.354 -8.258 1.00 14.30 H new ATOM 0 HB2 ALA A 75 14.559 4.115 -8.006 1.00 14.30 H new ATOM 0 HB3 ALA A 75 16.092 3.323 -8.443 1.00 14.30 H new ATOM 1101 N PRO A 76 15.672 0.779 -5.365 1.00 30.42 N ATOM 1102 CA PRO A 76 16.248 -0.530 -5.122 1.00 61.44 C ATOM 1103 C PRO A 76 15.623 -1.587 -6.034 1.00 24.13 C ATOM 1104 O PRO A 76 15.063 -1.260 -7.078 1.00 0.40 O ATOM 1105 CB PRO A 76 15.878 -0.766 -3.653 1.00 1.31 C ATOM 1106 CG PRO A 76 14.565 -0.069 -3.464 1.00 50.15 C ATOM 1107 CD PRO A 76 14.443 0.964 -4.563 1.00 12.52 C ATOM 0 HA PRO A 76 17.318 -0.589 -5.321 1.00 61.44 H new ATOM 0 HB2 PRO A 76 15.794 -1.830 -3.434 1.00 1.31 H new ATOM 0 HB3 PRO A 76 16.639 -0.362 -2.985 1.00 1.31 H new ATOM 0 HG2 PRO A 76 13.741 -0.781 -3.513 1.00 50.15 H new ATOM 0 HG3 PRO A 76 14.519 0.405 -2.484 1.00 50.15 H new ATOM 0 HD2 PRO A 76 13.547 0.805 -5.163 1.00 12.52 H new ATOM 0 HD3 PRO A 76 14.379 1.974 -4.157 1.00 12.52 H new ATOM 1115 N LEU A 77 15.730 -2.851 -5.653 1.00 62.40 N ATOM 1116 CA LEU A 77 15.031 -3.902 -6.365 1.00 23.30 C ATOM 1117 C LEU A 77 13.635 -4.123 -5.761 1.00 32.21 C ATOM 1118 O LEU A 77 12.665 -3.522 -6.216 1.00 42.24 O ATOM 1119 CB LEU A 77 15.870 -5.204 -6.420 1.00 1.05 C ATOM 1120 CG LEU A 77 16.610 -5.607 -5.133 1.00 1.22 C ATOM 1121 CD1 LEU A 77 16.300 -7.051 -4.778 1.00 54.33 C ATOM 1122 CD2 LEU A 77 18.110 -5.415 -5.296 1.00 5.24 C ATOM 0 H LEU A 77 16.290 -3.169 -4.862 1.00 62.40 H new ATOM 0 HA LEU A 77 14.890 -3.587 -7.399 1.00 23.30 H new ATOM 0 HB2 LEU A 77 15.208 -6.023 -6.702 1.00 1.05 H new ATOM 0 HB3 LEU A 77 16.606 -5.100 -7.217 1.00 1.05 H new ATOM 0 HG LEU A 77 16.266 -4.965 -4.322 1.00 1.22 H new ATOM 0 HD11 LEU A 77 16.830 -7.323 -3.865 1.00 54.33 H new ATOM 0 HD12 LEU A 77 15.227 -7.165 -4.622 1.00 54.33 H new ATOM 0 HD13 LEU A 77 16.620 -7.702 -5.591 1.00 54.33 H new ATOM 0 HD21 LEU A 77 18.616 -5.705 -4.375 1.00 5.24 H new ATOM 0 HD22 LEU A 77 18.469 -6.034 -6.118 1.00 5.24 H new ATOM 0 HD23 LEU A 77 18.321 -4.368 -5.512 1.00 5.24 H new ATOM 1134 N SER A 78 13.549 -4.915 -4.711 1.00 24.44 N ATOM 1135 CA SER A 78 12.270 -5.283 -4.136 1.00 22.30 C ATOM 1136 C SER A 78 12.029 -4.538 -2.831 1.00 44.24 C ATOM 1137 O SER A 78 12.819 -4.635 -1.887 1.00 64.34 O ATOM 1138 CB SER A 78 12.206 -6.790 -3.924 1.00 15.42 C ATOM 1139 OG SER A 78 12.428 -7.489 -5.141 1.00 73.33 O ATOM 0 H SER A 78 14.356 -5.319 -4.235 1.00 24.44 H new ATOM 0 HA SER A 78 11.480 -4.998 -4.831 1.00 22.30 H new ATOM 0 HB2 SER A 78 12.953 -7.089 -3.188 1.00 15.42 H new ATOM 0 HB3 SER A 78 11.232 -7.062 -3.518 1.00 15.42 H new ATOM 0 HG SER A 78 12.383 -8.454 -4.977 1.00 73.33 H new ATOM 1145 N VAL A 79 10.939 -3.780 -2.803 1.00 24.10 N ATOM 1146 CA VAL A 79 10.547 -3.032 -1.618 1.00 61.24 C ATOM 1147 C VAL A 79 9.670 -3.918 -0.736 1.00 43.22 C ATOM 1148 O VAL A 79 8.679 -4.481 -1.197 1.00 12.12 O ATOM 1149 CB VAL A 79 9.803 -1.712 -1.984 1.00 40.22 C ATOM 1150 CG1 VAL A 79 9.474 -0.889 -0.743 1.00 44.30 C ATOM 1151 CG2 VAL A 79 10.633 -0.877 -2.944 1.00 54.15 C ATOM 0 H VAL A 79 10.307 -3.668 -3.596 1.00 24.10 H new ATOM 0 HA VAL A 79 11.448 -2.747 -1.075 1.00 61.24 H new ATOM 0 HB VAL A 79 8.867 -1.993 -2.467 1.00 40.22 H new ATOM 0 HG11 VAL A 79 8.956 0.023 -1.038 1.00 44.30 H new ATOM 0 HG12 VAL A 79 8.834 -1.471 -0.079 1.00 44.30 H new ATOM 0 HG13 VAL A 79 10.396 -0.630 -0.223 1.00 44.30 H new ATOM 0 HG21 VAL A 79 10.096 0.040 -3.187 1.00 54.15 H new ATOM 0 HG22 VAL A 79 11.586 -0.627 -2.478 1.00 54.15 H new ATOM 0 HG23 VAL A 79 10.814 -1.444 -3.857 1.00 54.15 H new ATOM 1161 N ARG A 80 10.085 -4.055 0.518 1.00 11.35 N ATOM 1162 CA ARG A 80 9.393 -4.880 1.506 1.00 54.42 C ATOM 1163 C ARG A 80 8.122 -4.201 1.994 1.00 44.14 C ATOM 1164 O ARG A 80 8.126 -3.019 2.285 1.00 50.45 O ATOM 1165 CB ARG A 80 10.332 -5.171 2.681 1.00 41.20 C ATOM 1166 CG ARG A 80 11.547 -6.001 2.295 1.00 11.43 C ATOM 1167 CD ARG A 80 12.616 -5.958 3.373 1.00 24.20 C ATOM 1168 NE ARG A 80 13.745 -6.835 3.071 1.00 32.12 N ATOM 1169 CZ ARG A 80 14.999 -6.427 2.840 1.00 24.41 C ATOM 1170 NH1 ARG A 80 15.318 -5.134 2.810 1.00 72.12 N ATOM 1171 NH2 ARG A 80 15.941 -7.333 2.631 1.00 73.11 N ATOM 0 H ARG A 80 10.918 -3.593 0.883 1.00 11.35 H new ATOM 0 HA ARG A 80 9.106 -5.820 1.035 1.00 54.42 H new ATOM 0 HB2 ARG A 80 10.668 -4.227 3.110 1.00 41.20 H new ATOM 0 HB3 ARG A 80 9.776 -5.695 3.459 1.00 41.20 H new ATOM 0 HG2 ARG A 80 11.244 -7.034 2.123 1.00 11.43 H new ATOM 0 HG3 ARG A 80 11.960 -5.630 1.357 1.00 11.43 H new ATOM 0 HD2 ARG A 80 12.974 -4.935 3.486 1.00 24.20 H new ATOM 0 HD3 ARG A 80 12.178 -6.249 4.328 1.00 24.20 H new ATOM 0 HE ARG A 80 13.563 -7.838 3.033 1.00 32.12 H new ATOM 0 HH11 ARG A 80 14.599 -4.428 2.965 1.00 72.12 H new ATOM 0 HH12 ARG A 80 16.281 -4.850 2.632 1.00 72.12 H new ATOM 0 HH21 ARG A 80 15.707 -8.326 2.647 1.00 73.11 H new ATOM 0 HH22 ARG A 80 16.901 -7.039 2.454 1.00 73.11 H new ATOM 1185 N PHE A 81 7.030 -4.950 2.050 1.00 1.53 N ATOM 1186 CA PHE A 81 5.757 -4.398 2.496 1.00 1.33 C ATOM 1187 C PHE A 81 5.210 -5.189 3.669 1.00 43.30 C ATOM 1188 O PHE A 81 5.065 -6.410 3.589 1.00 11.34 O ATOM 1189 CB PHE A 81 4.713 -4.390 1.365 1.00 72.33 C ATOM 1190 CG PHE A 81 5.065 -3.520 0.190 1.00 22.22 C ATOM 1191 CD1 PHE A 81 5.103 -2.139 0.317 1.00 21.12 C ATOM 1192 CD2 PHE A 81 5.354 -4.085 -1.040 1.00 33.32 C ATOM 1193 CE1 PHE A 81 5.425 -1.340 -0.763 1.00 73.22 C ATOM 1194 CE2 PHE A 81 5.675 -3.290 -2.124 1.00 1.14 C ATOM 1195 CZ PHE A 81 5.711 -1.917 -1.985 1.00 11.12 C ATOM 0 H PHE A 81 6.999 -5.937 1.794 1.00 1.53 H new ATOM 0 HA PHE A 81 5.947 -3.370 2.803 1.00 1.33 H new ATOM 0 HB2 PHE A 81 4.571 -5.412 1.013 1.00 72.33 H new ATOM 0 HB3 PHE A 81 3.758 -4.057 1.773 1.00 72.33 H new ATOM 0 HD1 PHE A 81 4.878 -1.684 1.270 1.00 21.12 H new ATOM 0 HD2 PHE A 81 5.328 -5.159 -1.154 1.00 33.32 H new ATOM 0 HE1 PHE A 81 5.453 -0.266 -0.652 1.00 73.22 H new ATOM 0 HE2 PHE A 81 5.897 -3.743 -3.079 1.00 1.14 H new ATOM 0 HZ PHE A 81 5.963 -1.295 -2.831 1.00 11.12 H new ATOM 1205 N LYS A 82 4.940 -4.492 4.765 1.00 13.44 N ATOM 1206 CA LYS A 82 4.199 -5.067 5.879 1.00 10.20 C ATOM 1207 C LYS A 82 2.877 -4.341 6.019 1.00 0.03 C ATOM 1208 O LYS A 82 2.858 -3.138 6.293 1.00 24.31 O ATOM 1209 CB LYS A 82 4.949 -4.971 7.213 1.00 52.31 C ATOM 1210 CG LYS A 82 6.141 -5.902 7.348 1.00 54.52 C ATOM 1211 CD LYS A 82 6.595 -6.017 8.798 1.00 42.33 C ATOM 1212 CE LYS A 82 7.165 -4.711 9.347 1.00 2.11 C ATOM 1213 NZ LYS A 82 8.467 -4.359 8.725 1.00 70.14 N ATOM 0 H LYS A 82 5.225 -3.523 4.906 1.00 13.44 H new ATOM 0 HA LYS A 82 4.058 -6.125 5.656 1.00 10.20 H new ATOM 0 HB2 LYS A 82 5.292 -3.945 7.347 1.00 52.31 H new ATOM 0 HB3 LYS A 82 4.249 -5.182 8.022 1.00 52.31 H new ATOM 0 HG2 LYS A 82 5.878 -6.889 6.968 1.00 54.52 H new ATOM 0 HG3 LYS A 82 6.964 -5.533 6.736 1.00 54.52 H new ATOM 0 HD2 LYS A 82 5.751 -6.327 9.414 1.00 42.33 H new ATOM 0 HD3 LYS A 82 7.351 -6.799 8.876 1.00 42.33 H new ATOM 0 HE2 LYS A 82 6.452 -3.905 9.174 1.00 2.11 H new ATOM 0 HE3 LYS A 82 7.292 -4.798 10.426 1.00 2.11 H new ATOM 0 HZ1 LYS A 82 8.855 -3.513 9.188 1.00 70.14 H new ATOM 0 HZ2 LYS A 82 9.131 -5.151 8.838 1.00 70.14 H new ATOM 0 HZ3 LYS A 82 8.327 -4.167 7.713 1.00 70.14 H new ATOM 1227 N ASP A 83 1.779 -5.053 5.826 1.00 2.12 N ATOM 1228 CA ASP A 83 0.469 -4.452 5.964 1.00 10.41 C ATOM 1229 C ASP A 83 -0.020 -4.603 7.396 1.00 52.31 C ATOM 1230 O ASP A 83 0.264 -5.592 8.079 1.00 11.44 O ATOM 1231 CB ASP A 83 -0.538 -5.020 4.942 1.00 23.12 C ATOM 1232 CG ASP A 83 -1.043 -6.420 5.237 1.00 45.45 C ATOM 1233 OD1 ASP A 83 -0.355 -7.398 4.886 1.00 65.31 O ATOM 1234 OD2 ASP A 83 -2.151 -6.535 5.797 1.00 44.34 O ATOM 0 H ASP A 83 1.771 -6.042 5.575 1.00 2.12 H new ATOM 0 HA ASP A 83 0.553 -3.388 5.742 1.00 10.41 H new ATOM 0 HB2 ASP A 83 -1.394 -4.347 4.888 1.00 23.12 H new ATOM 0 HB3 ASP A 83 -0.070 -5.021 3.958 1.00 23.12 H new ATOM 1239 N PHE A 84 -0.697 -3.578 7.861 1.00 32.11 N ATOM 1240 CA PHE A 84 -1.186 -3.510 9.226 1.00 51.31 C ATOM 1241 C PHE A 84 -2.700 -3.359 9.202 1.00 40.32 C ATOM 1242 O PHE A 84 -3.298 -2.746 10.097 1.00 22.13 O ATOM 1243 CB PHE A 84 -0.544 -2.333 9.971 1.00 72.45 C ATOM 1244 CG PHE A 84 0.951 -2.402 10.063 1.00 11.21 C ATOM 1245 CD1 PHE A 84 1.565 -3.362 10.849 1.00 43.32 C ATOM 1246 CD2 PHE A 84 1.740 -1.517 9.354 1.00 41.23 C ATOM 1247 CE1 PHE A 84 2.938 -3.430 10.937 1.00 25.41 C ATOM 1248 CE2 PHE A 84 3.113 -1.580 9.440 1.00 45.24 C ATOM 1249 CZ PHE A 84 3.714 -2.541 10.226 1.00 30.54 C ATOM 0 H PHE A 84 -0.928 -2.758 7.300 1.00 32.11 H new ATOM 0 HA PHE A 84 -0.918 -4.426 9.752 1.00 51.31 H new ATOM 0 HB2 PHE A 84 -0.823 -1.406 9.470 1.00 72.45 H new ATOM 0 HB3 PHE A 84 -0.957 -2.288 10.979 1.00 72.45 H new ATOM 0 HD1 PHE A 84 0.960 -4.067 11.400 1.00 43.32 H new ATOM 0 HD2 PHE A 84 1.276 -0.770 8.727 1.00 41.23 H new ATOM 0 HE1 PHE A 84 3.405 -4.178 11.561 1.00 25.41 H new ATOM 0 HE2 PHE A 84 3.720 -0.876 8.891 1.00 45.24 H new ATOM 0 HZ PHE A 84 4.791 -2.596 10.284 1.00 30.54 H new ATOM 1259 N SER A 85 -3.294 -3.904 8.132 1.00 14.24 N ATOM 1260 CA SER A 85 -4.735 -3.940 7.947 1.00 70.44 C ATOM 1261 C SER A 85 -5.419 -4.691 9.083 1.00 51.30 C ATOM 1262 O SER A 85 -5.127 -5.859 9.343 1.00 54.32 O ATOM 1263 CB SER A 85 -5.065 -4.612 6.629 1.00 52.33 C ATOM 1264 OG SER A 85 -4.206 -4.154 5.594 1.00 15.42 O ATOM 0 H SER A 85 -2.774 -4.335 7.367 1.00 14.24 H new ATOM 0 HA SER A 85 -5.101 -2.913 7.943 1.00 70.44 H new ATOM 0 HB2 SER A 85 -4.969 -5.693 6.734 1.00 52.33 H new ATOM 0 HB3 SER A 85 -6.102 -4.408 6.362 1.00 52.33 H new ATOM 0 HG SER A 85 -3.460 -4.780 5.487 1.00 15.42 H new ATOM 1270 N GLU A 86 -6.322 -3.998 9.750 1.00 12.14 N ATOM 1271 CA GLU A 86 -6.962 -4.503 10.950 1.00 72.33 C ATOM 1272 C GLU A 86 -8.459 -4.249 10.847 1.00 31.43 C ATOM 1273 O GLU A 86 -8.863 -3.306 10.171 1.00 70.02 O ATOM 1274 CB GLU A 86 -6.356 -3.781 12.155 1.00 63.13 C ATOM 1275 CG GLU A 86 -6.597 -4.454 13.495 1.00 41.11 C ATOM 1276 CD GLU A 86 -5.959 -3.699 14.630 1.00 55.02 C ATOM 1277 OE1 GLU A 86 -4.733 -3.816 14.811 1.00 14.31 O ATOM 1278 OE2 GLU A 86 -6.679 -2.982 15.345 1.00 50.42 O ATOM 0 H GLU A 86 -6.633 -3.067 9.474 1.00 12.14 H new ATOM 0 HA GLU A 86 -6.803 -5.575 11.066 1.00 72.33 H new ATOM 0 HB2 GLU A 86 -5.281 -3.688 12.001 1.00 63.13 H new ATOM 0 HB3 GLU A 86 -6.761 -2.770 12.195 1.00 63.13 H new ATOM 0 HG2 GLU A 86 -7.669 -4.535 13.672 1.00 41.11 H new ATOM 0 HG3 GLU A 86 -6.201 -5.469 13.467 1.00 41.11 H new ATOM 1285 N ASN A 87 -9.264 -5.124 11.479 1.00 21.32 N ATOM 1286 CA ASN A 87 -10.755 -5.033 11.499 1.00 60.45 C ATOM 1287 C ASN A 87 -11.348 -5.194 10.088 1.00 4.45 C ATOM 1288 O ASN A 87 -12.434 -4.689 9.779 1.00 60.21 O ATOM 1289 CB ASN A 87 -11.252 -3.711 12.127 1.00 14.25 C ATOM 1290 CG ASN A 87 -10.732 -3.490 13.536 1.00 3.43 C ATOM 1291 OD1 ASN A 87 -11.267 -4.035 14.500 1.00 1.31 O ATOM 1292 ND2 ASN A 87 -9.715 -2.648 13.667 1.00 24.25 N ATOM 0 H ASN A 87 -8.904 -5.925 11.998 1.00 21.32 H new ATOM 0 HA ASN A 87 -11.102 -5.856 12.124 1.00 60.45 H new ATOM 0 HB2 ASN A 87 -10.943 -2.877 11.497 1.00 14.25 H new ATOM 0 HB3 ASN A 87 -12.342 -3.711 12.144 1.00 14.25 H new ATOM 0 HD21 ASN A 87 -9.348 -2.431 14.594 1.00 24.25 H new ATOM 0 HD22 ASN A 87 -9.300 -2.217 12.841 1.00 24.25 H new ATOM 1299 N ALA A 88 -10.641 -5.944 9.251 1.00 44.23 N ATOM 1300 CA ALA A 88 -11.000 -6.101 7.852 1.00 51.14 C ATOM 1301 C ALA A 88 -11.268 -7.561 7.524 1.00 74.42 C ATOM 1302 O ALA A 88 -10.624 -8.461 8.076 1.00 11.04 O ATOM 1303 CB ALA A 88 -9.890 -5.564 6.962 1.00 21.40 C ATOM 0 H ALA A 88 -9.804 -6.459 9.525 1.00 44.23 H new ATOM 0 HA ALA A 88 -11.912 -5.533 7.668 1.00 51.14 H new ATOM 0 HB1 ALA A 88 -10.171 -5.687 5.916 1.00 21.40 H new ATOM 0 HB2 ALA A 88 -9.734 -4.506 7.174 1.00 21.40 H new ATOM 0 HB3 ALA A 88 -8.969 -6.113 7.158 1.00 21.40 H new ATOM 1309 N THR A 89 -12.217 -7.792 6.635 1.00 45.11 N ATOM 1310 CA THR A 89 -12.531 -9.141 6.206 1.00 64.41 C ATOM 1311 C THR A 89 -11.900 -9.422 4.831 1.00 72.43 C ATOM 1312 O THR A 89 -11.678 -10.575 4.466 1.00 2.50 O ATOM 1313 CB THR A 89 -14.067 -9.401 6.202 1.00 1.32 C ATOM 1314 OG1 THR A 89 -14.335 -10.796 6.047 1.00 52.11 O ATOM 1315 CG2 THR A 89 -14.783 -8.626 5.101 1.00 64.02 C ATOM 0 H THR A 89 -12.782 -7.064 6.197 1.00 45.11 H new ATOM 0 HA THR A 89 -12.100 -9.837 6.926 1.00 64.41 H new ATOM 0 HB THR A 89 -14.448 -9.052 7.162 1.00 1.32 H new ATOM 0 HG1 THR A 89 -15.304 -10.945 6.048 1.00 52.11 H new ATOM 0 HG21 THR A 89 -15.851 -8.841 5.140 1.00 64.02 H new ATOM 0 HG22 THR A 89 -14.622 -7.558 5.245 1.00 64.02 H new ATOM 0 HG23 THR A 89 -14.388 -8.925 4.130 1.00 64.02 H new ATOM 1323 N SER A 90 -11.597 -8.354 4.075 1.00 73.20 N ATOM 1324 CA SER A 90 -10.964 -8.474 2.769 1.00 21.32 C ATOM 1325 C SER A 90 -9.955 -7.342 2.575 1.00 74.02 C ATOM 1326 O SER A 90 -10.068 -6.293 3.212 1.00 41.21 O ATOM 1327 CB SER A 90 -12.009 -8.425 1.646 1.00 3.50 C ATOM 1328 OG SER A 90 -12.998 -9.433 1.809 1.00 62.23 O ATOM 0 H SER A 90 -11.786 -7.392 4.358 1.00 73.20 H new ATOM 0 HA SER A 90 -10.452 -9.435 2.726 1.00 21.32 H new ATOM 0 HB2 SER A 90 -12.486 -7.445 1.634 1.00 3.50 H new ATOM 0 HB3 SER A 90 -11.515 -8.551 0.683 1.00 3.50 H new ATOM 0 HG SER A 90 -13.649 -9.374 1.079 1.00 62.23 H new ATOM 1334 N ARG A 91 -8.969 -7.574 1.715 1.00 20.43 N ATOM 1335 CA ARG A 91 -7.988 -6.554 1.369 1.00 70.22 C ATOM 1336 C ARG A 91 -7.901 -6.380 -0.148 1.00 31.40 C ATOM 1337 O ARG A 91 -8.362 -7.237 -0.913 1.00 70.31 O ATOM 1338 CB ARG A 91 -6.607 -6.865 2.004 1.00 30.01 C ATOM 1339 CG ARG A 91 -6.059 -8.273 1.765 1.00 21.11 C ATOM 1340 CD ARG A 91 -5.356 -8.415 0.419 1.00 25.21 C ATOM 1341 NE ARG A 91 -5.163 -9.812 0.048 1.00 24.43 N ATOM 1342 CZ ARG A 91 -5.692 -10.381 -1.040 1.00 23.41 C ATOM 1343 NH1 ARG A 91 -6.492 -9.690 -1.846 1.00 20.13 N ATOM 1344 NH2 ARG A 91 -5.436 -11.650 -1.303 1.00 32.41 N ATOM 0 H ARG A 91 -8.828 -8.467 1.242 1.00 20.43 H new ATOM 0 HA ARG A 91 -8.319 -5.603 1.786 1.00 70.22 H new ATOM 0 HB2 ARG A 91 -5.883 -6.145 1.621 1.00 30.01 H new ATOM 0 HB3 ARG A 91 -6.679 -6.703 3.079 1.00 30.01 H new ATOM 0 HG2 ARG A 91 -5.360 -8.526 2.563 1.00 21.11 H new ATOM 0 HG3 ARG A 91 -6.878 -8.990 1.819 1.00 21.11 H new ATOM 0 HD2 ARG A 91 -5.942 -7.913 -0.351 1.00 25.21 H new ATOM 0 HD3 ARG A 91 -4.389 -7.914 0.461 1.00 25.21 H new ATOM 0 HE ARG A 91 -4.587 -10.392 0.658 1.00 24.43 H new ATOM 0 HH11 ARG A 91 -6.708 -8.715 -1.637 1.00 20.13 H new ATOM 0 HH12 ARG A 91 -6.890 -10.135 -2.673 1.00 20.13 H new ATOM 0 HH21 ARG A 91 -4.838 -12.190 -0.678 1.00 32.41 H new ATOM 0 HH22 ARG A 91 -5.837 -12.090 -2.131 1.00 32.41 H new ATOM 1358 N LEU A 92 -7.306 -5.271 -0.564 1.00 75.33 N ATOM 1359 CA LEU A 92 -7.138 -4.929 -1.969 1.00 5.45 C ATOM 1360 C LEU A 92 -5.857 -4.110 -2.101 1.00 72.13 C ATOM 1361 O LEU A 92 -5.742 -3.025 -1.534 1.00 74.25 O ATOM 1362 CB LEU A 92 -8.371 -4.126 -2.450 1.00 14.11 C ATOM 1363 CG LEU A 92 -8.684 -4.094 -3.963 1.00 64.33 C ATOM 1364 CD1 LEU A 92 -10.083 -3.554 -4.176 1.00 22.41 C ATOM 1365 CD2 LEU A 92 -7.702 -3.233 -4.745 1.00 3.04 C ATOM 0 H LEU A 92 -6.921 -4.574 0.074 1.00 75.33 H new ATOM 0 HA LEU A 92 -7.059 -5.823 -2.588 1.00 5.45 H new ATOM 0 HB2 LEU A 92 -9.247 -4.525 -1.938 1.00 14.11 H new ATOM 0 HB3 LEU A 92 -8.248 -3.096 -2.115 1.00 14.11 H new ATOM 0 HG LEU A 92 -8.598 -5.116 -4.331 1.00 64.33 H new ATOM 0 HD11 LEU A 92 -10.306 -3.531 -5.243 1.00 22.41 H new ATOM 0 HD12 LEU A 92 -10.802 -4.197 -3.669 1.00 22.41 H new ATOM 0 HD13 LEU A 92 -10.149 -2.545 -3.769 1.00 22.41 H new ATOM 0 HD21 LEU A 92 -7.968 -3.246 -5.802 1.00 3.04 H new ATOM 0 HD22 LEU A 92 -7.740 -2.209 -4.374 1.00 3.04 H new ATOM 0 HD23 LEU A 92 -6.693 -3.627 -4.620 1.00 3.04 H new ATOM 1377 N TRP A 93 -4.890 -4.639 -2.831 1.00 3.01 N ATOM 1378 CA TRP A 93 -3.661 -3.909 -3.101 1.00 11.35 C ATOM 1379 C TRP A 93 -3.769 -3.133 -4.402 1.00 41.10 C ATOM 1380 O TRP A 93 -4.056 -3.691 -5.458 1.00 22.11 O ATOM 1381 CB TRP A 93 -2.460 -4.849 -3.150 1.00 10.32 C ATOM 1382 CG TRP A 93 -1.914 -5.207 -1.801 1.00 1.14 C ATOM 1383 CD1 TRP A 93 -2.098 -6.374 -1.123 1.00 44.51 C ATOM 1384 CD2 TRP A 93 -1.081 -4.385 -0.970 1.00 62.40 C ATOM 1385 NE1 TRP A 93 -1.422 -6.333 0.075 1.00 61.45 N ATOM 1386 CE2 TRP A 93 -0.787 -5.124 0.187 1.00 21.00 C ATOM 1387 CE3 TRP A 93 -0.544 -3.099 -1.101 1.00 33.32 C ATOM 1388 CZ2 TRP A 93 0.011 -4.620 1.211 1.00 1.54 C ATOM 1389 CZ3 TRP A 93 0.247 -2.600 -0.083 1.00 62.23 C ATOM 1390 CH2 TRP A 93 0.521 -3.360 1.057 1.00 73.10 C ATOM 0 H TRP A 93 -4.931 -5.569 -3.247 1.00 3.01 H new ATOM 0 HA TRP A 93 -3.511 -3.204 -2.284 1.00 11.35 H new ATOM 0 HB2 TRP A 93 -2.748 -5.763 -3.669 1.00 10.32 H new ATOM 0 HB3 TRP A 93 -1.670 -4.383 -3.739 1.00 10.32 H new ATOM 0 HD1 TRP A 93 -2.687 -7.208 -1.474 1.00 44.51 H new ATOM 0 HE1 TRP A 93 -1.398 -7.081 0.768 1.00 61.45 H new ATOM 0 HE3 TRP A 93 -0.744 -2.507 -1.982 1.00 33.32 H new ATOM 0 HZ2 TRP A 93 0.220 -5.203 2.096 1.00 1.54 H new ATOM 0 HZ3 TRP A 93 0.660 -1.606 -0.170 1.00 62.23 H new ATOM 0 HH2 TRP A 93 1.148 -2.944 1.832 1.00 73.10 H new ATOM 1401 N MET A 94 -3.570 -1.832 -4.306 1.00 70.41 N ATOM 1402 CA MET A 94 -3.574 -0.970 -5.473 1.00 60.51 C ATOM 1403 C MET A 94 -2.153 -0.613 -5.852 1.00 3.20 C ATOM 1404 O MET A 94 -1.581 0.350 -5.339 1.00 63.14 O ATOM 1405 CB MET A 94 -4.377 0.303 -5.222 1.00 5.41 C ATOM 1406 CG MET A 94 -5.876 0.092 -5.160 1.00 63.11 C ATOM 1407 SD MET A 94 -6.620 -0.229 -6.763 1.00 22.02 S ATOM 1408 CE MET A 94 -6.041 1.176 -7.720 1.00 42.05 C ATOM 0 H MET A 94 -3.402 -1.346 -3.425 1.00 70.41 H new ATOM 0 HA MET A 94 -4.047 -1.512 -6.291 1.00 60.51 H new ATOM 0 HB2 MET A 94 -4.045 0.749 -4.284 1.00 5.41 H new ATOM 0 HB3 MET A 94 -4.155 1.020 -6.012 1.00 5.41 H new ATOM 0 HG2 MET A 94 -6.090 -0.744 -4.495 1.00 63.11 H new ATOM 0 HG3 MET A 94 -6.342 0.975 -4.722 1.00 63.11 H new ATOM 0 HE1 MET A 94 -6.712 1.344 -8.562 1.00 42.05 H new ATOM 0 HE2 MET A 94 -6.023 2.064 -7.088 1.00 42.05 H new ATOM 0 HE3 MET A 94 -5.036 0.974 -8.091 1.00 42.05 H new ATOM 1418 N PHE A 95 -1.569 -1.429 -6.709 1.00 11.43 N ATOM 1419 CA PHE A 95 -0.230 -1.180 -7.224 1.00 11.31 C ATOM 1420 C PHE A 95 -0.291 -0.191 -8.397 1.00 15.01 C ATOM 1421 O PHE A 95 0.603 0.643 -8.565 1.00 22.24 O ATOM 1422 CB PHE A 95 0.398 -2.514 -7.654 1.00 53.24 C ATOM 1423 CG PHE A 95 1.852 -2.421 -8.017 1.00 63.14 C ATOM 1424 CD1 PHE A 95 2.808 -2.202 -7.041 1.00 14.34 C ATOM 1425 CD2 PHE A 95 2.259 -2.556 -9.332 1.00 62.10 C ATOM 1426 CE1 PHE A 95 4.142 -2.119 -7.374 1.00 22.33 C ATOM 1427 CE2 PHE A 95 3.595 -2.474 -9.668 1.00 53.32 C ATOM 1428 CZ PHE A 95 4.536 -2.256 -8.689 1.00 15.00 C ATOM 0 H PHE A 95 -2.004 -2.279 -7.068 1.00 11.43 H new ATOM 0 HA PHE A 95 0.390 -0.734 -6.446 1.00 11.31 H new ATOM 0 HB2 PHE A 95 0.283 -3.235 -6.844 1.00 53.24 H new ATOM 0 HB3 PHE A 95 -0.154 -2.904 -8.509 1.00 53.24 H new ATOM 0 HD1 PHE A 95 2.506 -2.095 -6.010 1.00 14.34 H new ATOM 0 HD2 PHE A 95 1.523 -2.727 -10.104 1.00 62.10 H new ATOM 0 HE1 PHE A 95 4.880 -1.946 -6.605 1.00 22.33 H new ATOM 0 HE2 PHE A 95 3.901 -2.581 -10.698 1.00 53.32 H new ATOM 0 HZ PHE A 95 5.582 -2.192 -8.949 1.00 15.00 H new ATOM 1438 N GLY A 96 -1.372 -0.280 -9.179 1.00 24.21 N ATOM 1439 CA GLY A 96 -1.552 0.602 -10.325 1.00 44.45 C ATOM 1440 C GLY A 96 -1.125 -0.021 -11.644 1.00 1.50 C ATOM 1441 O GLY A 96 -1.229 0.613 -12.694 1.00 32.52 O ATOM 0 H GLY A 96 -2.128 -0.950 -9.037 1.00 24.21 H new ATOM 0 HA2 GLY A 96 -2.601 0.889 -10.391 1.00 44.45 H new ATOM 0 HA3 GLY A 96 -0.981 1.516 -10.163 1.00 44.45 H new ATOM 1445 N ASP A 97 -0.673 -1.270 -11.594 1.00 10.13 N ATOM 1446 CA ASP A 97 -0.214 -1.974 -12.793 1.00 42.32 C ATOM 1447 C ASP A 97 -0.892 -3.321 -12.934 1.00 62.11 C ATOM 1448 O ASP A 97 -0.654 -4.234 -12.136 1.00 52.11 O ATOM 1449 CB ASP A 97 1.316 -2.159 -12.807 1.00 65.34 C ATOM 1450 CG ASP A 97 2.054 -0.897 -13.194 1.00 71.11 C ATOM 1451 OD1 ASP A 97 2.117 -0.589 -14.401 1.00 42.52 O ATOM 1452 OD2 ASP A 97 2.575 -0.212 -12.297 1.00 45.44 O ATOM 0 H ASP A 97 -0.614 -1.819 -10.736 1.00 10.13 H new ATOM 0 HA ASP A 97 -0.488 -1.348 -13.642 1.00 42.32 H new ATOM 0 HB2 ASP A 97 1.648 -2.481 -11.820 1.00 65.34 H new ATOM 0 HB3 ASP A 97 1.575 -2.955 -13.505 1.00 65.34 H new ATOM 1457 N GLY A 98 -1.740 -3.429 -13.950 1.00 45.52 N ATOM 1458 CA GLY A 98 -2.398 -4.686 -14.257 1.00 45.32 C ATOM 1459 C GLY A 98 -3.568 -4.972 -13.343 1.00 60.12 C ATOM 1460 O GLY A 98 -4.406 -4.102 -13.100 1.00 54.45 O ATOM 0 H GLY A 98 -1.986 -2.660 -14.573 1.00 45.52 H new ATOM 0 HA2 GLY A 98 -2.746 -4.666 -15.290 1.00 45.32 H new ATOM 0 HA3 GLY A 98 -1.675 -5.498 -14.180 1.00 45.32 H new ATOM 1464 N ASN A 99 -3.614 -6.195 -12.836 1.00 43.14 N ATOM 1465 CA ASN A 99 -4.698 -6.629 -11.967 1.00 73.52 C ATOM 1466 C ASN A 99 -4.502 -6.118 -10.558 1.00 73.30 C ATOM 1467 O ASN A 99 -3.457 -6.334 -9.942 1.00 44.44 O ATOM 1468 CB ASN A 99 -4.826 -8.158 -11.947 1.00 1.52 C ATOM 1469 CG ASN A 99 -5.360 -8.721 -13.247 1.00 73.21 C ATOM 1470 OD1 ASN A 99 -6.144 -8.079 -13.946 1.00 1.44 O ATOM 1471 ND2 ASN A 99 -4.943 -9.929 -13.578 1.00 35.14 N ATOM 0 H ASN A 99 -2.908 -6.909 -13.013 1.00 43.14 H new ATOM 0 HA ASN A 99 -5.619 -6.210 -12.372 1.00 73.52 H new ATOM 0 HB2 ASN A 99 -3.850 -8.597 -11.741 1.00 1.52 H new ATOM 0 HB3 ASN A 99 -5.486 -8.452 -11.131 1.00 1.52 H new ATOM 0 HD21 ASN A 99 -5.271 -10.363 -14.441 1.00 35.14 H new ATOM 0 HD22 ASN A 99 -4.293 -10.428 -12.971 1.00 35.14 H new ATOM 1478 N THR A 100 -5.515 -5.417 -10.067 1.00 62.42 N ATOM 1479 CA THR A 100 -5.520 -4.929 -8.695 1.00 32.10 C ATOM 1480 C THR A 100 -5.987 -6.024 -7.736 1.00 12.32 C ATOM 1481 O THR A 100 -6.504 -7.065 -8.179 1.00 42.31 O ATOM 1482 CB THR A 100 -6.413 -3.684 -8.551 1.00 45.40 C ATOM 1483 OG1 THR A 100 -7.708 -3.944 -9.100 1.00 73.45 O ATOM 1484 CG2 THR A 100 -5.784 -2.485 -9.245 1.00 12.25 C ATOM 0 H THR A 100 -6.348 -5.173 -10.602 1.00 62.42 H new ATOM 0 HA THR A 100 -4.498 -4.648 -8.439 1.00 32.10 H new ATOM 0 HB THR A 100 -6.513 -3.454 -7.490 1.00 45.40 H new ATOM 0 HG1 THR A 100 -8.270 -3.147 -9.003 1.00 73.45 H new ATOM 0 HG21 THR A 100 -6.433 -1.617 -9.130 1.00 12.25 H new ATOM 0 HG22 THR A 100 -4.813 -2.274 -8.798 1.00 12.25 H new ATOM 0 HG23 THR A 100 -5.655 -2.704 -10.305 1.00 12.25 H new ATOM 1602 N THR A 109 9.304 -5.509 -7.761 1.00 10.12 N ATOM 1603 CA THR A 109 10.616 -5.024 -8.144 1.00 61.23 C ATOM 1604 C THR A 109 10.494 -3.805 -9.063 1.00 2.11 C ATOM 1605 O THR A 109 9.779 -3.839 -10.067 1.00 53.02 O ATOM 1606 CB THR A 109 11.418 -6.149 -8.839 1.00 42.12 C ATOM 1607 OG1 THR A 109 11.369 -7.338 -8.045 1.00 62.44 O ATOM 1608 CG2 THR A 109 12.872 -5.759 -9.051 1.00 31.01 C ATOM 0 HA THR A 109 11.150 -4.719 -7.244 1.00 61.23 H new ATOM 0 HB THR A 109 10.963 -6.321 -9.814 1.00 42.12 H new ATOM 0 HG1 THR A 109 11.758 -7.159 -7.164 1.00 62.44 H new ATOM 0 HG21 THR A 109 13.400 -6.577 -9.542 1.00 31.01 H new ATOM 0 HG22 THR A 109 12.922 -4.868 -9.676 1.00 31.01 H new ATOM 0 HG23 THR A 109 13.338 -5.553 -8.087 1.00 31.01 H new ATOM 1616 N PHE A 110 11.186 -2.738 -8.697 1.00 44.52 N ATOM 1617 CA PHE A 110 11.175 -1.498 -9.456 1.00 33.31 C ATOM 1618 C PHE A 110 12.507 -1.316 -10.168 1.00 71.13 C ATOM 1619 O PHE A 110 13.505 -0.961 -9.552 1.00 41.31 O ATOM 1620 CB PHE A 110 10.912 -0.299 -8.533 1.00 51.11 C ATOM 1621 CG PHE A 110 9.590 -0.349 -7.811 1.00 74.54 C ATOM 1622 CD1 PHE A 110 8.440 0.142 -8.407 1.00 5.24 C ATOM 1623 CD2 PHE A 110 9.497 -0.883 -6.535 1.00 22.23 C ATOM 1624 CE1 PHE A 110 7.226 0.098 -7.746 1.00 75.15 C ATOM 1625 CE2 PHE A 110 8.286 -0.930 -5.871 1.00 51.14 C ATOM 1626 CZ PHE A 110 7.153 -0.437 -6.477 1.00 60.55 C ATOM 0 H PHE A 110 11.773 -2.708 -7.863 1.00 44.52 H new ATOM 0 HA PHE A 110 10.374 -1.551 -10.193 1.00 33.31 H new ATOM 0 HB2 PHE A 110 11.713 -0.240 -7.796 1.00 51.11 H new ATOM 0 HB3 PHE A 110 10.955 0.616 -9.124 1.00 51.11 H new ATOM 0 HD1 PHE A 110 8.492 0.564 -9.400 1.00 5.24 H new ATOM 0 HD2 PHE A 110 10.384 -1.268 -6.053 1.00 22.23 H new ATOM 0 HE1 PHE A 110 6.336 0.482 -8.223 1.00 75.15 H new ATOM 0 HE2 PHE A 110 8.229 -1.353 -4.879 1.00 51.14 H new ATOM 0 HZ PHE A 110 6.206 -0.469 -5.958 1.00 60.55 H new ATOM 1636 N PHE A 111 12.516 -1.585 -11.471 1.00 30.41 N ATOM 1637 CA PHE A 111 13.713 -1.397 -12.294 1.00 14.32 C ATOM 1638 C PHE A 111 13.839 0.053 -12.764 1.00 23.01 C ATOM 1639 O PHE A 111 14.912 0.493 -13.188 1.00 71.10 O ATOM 1640 CB PHE A 111 13.690 -2.333 -13.509 1.00 42.14 C ATOM 1641 CG PHE A 111 13.846 -3.790 -13.170 1.00 13.01 C ATOM 1642 CD1 PHE A 111 15.090 -4.310 -12.855 1.00 1.52 C ATOM 1643 CD2 PHE A 111 12.752 -4.641 -13.175 1.00 15.21 C ATOM 1644 CE1 PHE A 111 15.240 -5.647 -12.548 1.00 31.31 C ATOM 1645 CE2 PHE A 111 12.899 -5.977 -12.869 1.00 33.42 C ATOM 1646 CZ PHE A 111 14.144 -6.479 -12.556 1.00 60.31 C ATOM 0 H PHE A 111 11.706 -1.935 -11.983 1.00 30.41 H new ATOM 0 HA PHE A 111 14.577 -1.638 -11.675 1.00 14.32 H new ATOM 0 HB2 PHE A 111 12.749 -2.195 -14.042 1.00 42.14 H new ATOM 0 HB3 PHE A 111 14.489 -2.043 -14.192 1.00 42.14 H new ATOM 0 HD1 PHE A 111 15.953 -3.661 -12.849 1.00 1.52 H new ATOM 0 HD2 PHE A 111 11.774 -4.253 -13.421 1.00 15.21 H new ATOM 0 HE1 PHE A 111 16.216 -6.040 -12.302 1.00 31.31 H new ATOM 0 HE2 PHE A 111 12.039 -6.630 -12.874 1.00 33.42 H new ATOM 0 HZ PHE A 111 14.259 -7.526 -12.317 1.00 60.31 H new ATOM 1656 N ASN A 112 12.744 0.793 -12.675 1.00 34.23 N ATOM 1657 CA ASN A 112 12.730 2.191 -13.059 1.00 71.34 C ATOM 1658 C ASN A 112 12.624 3.066 -11.824 1.00 10.05 C ATOM 1659 O ASN A 112 11.978 2.692 -10.840 1.00 61.33 O ATOM 1660 CB ASN A 112 11.561 2.480 -14.003 1.00 14.02 C ATOM 1661 CG ASN A 112 11.732 1.874 -15.380 1.00 34.41 C ATOM 1662 OD1 ASN A 112 12.841 1.772 -15.896 1.00 13.11 O ATOM 1663 ND2 ASN A 112 10.632 1.451 -15.985 1.00 14.12 N ATOM 0 H ASN A 112 11.848 0.442 -12.337 1.00 34.23 H new ATOM 0 HA ASN A 112 13.661 2.415 -13.580 1.00 71.34 H new ATOM 0 HB2 ASN A 112 10.642 2.098 -13.558 1.00 14.02 H new ATOM 0 HB3 ASN A 112 11.442 3.559 -14.102 1.00 14.02 H new ATOM 0 HD21 ASN A 112 10.690 1.024 -16.910 1.00 14.12 H new ATOM 0 HD22 ASN A 112 9.727 1.552 -15.526 1.00 14.12 H new ATOM 1670 N GLU A 113 13.267 4.218 -11.884 1.00 3.55 N ATOM 1671 CA GLU A 113 13.216 5.219 -10.818 1.00 11.40 C ATOM 1672 C GLU A 113 12.063 6.204 -11.051 1.00 25.42 C ATOM 1673 O GLU A 113 11.412 6.171 -12.098 1.00 32.14 O ATOM 1674 CB GLU A 113 14.573 5.970 -10.698 1.00 12.21 C ATOM 1675 CG GLU A 113 14.963 6.890 -11.873 1.00 52.14 C ATOM 1676 CD GLU A 113 15.156 6.170 -13.197 1.00 33.14 C ATOM 1677 OE1 GLU A 113 16.182 5.488 -13.366 1.00 3.03 O ATOM 1678 OE2 GLU A 113 14.250 6.237 -14.045 1.00 64.51 O ATOM 0 H GLU A 113 13.846 4.493 -12.678 1.00 3.55 H new ATOM 0 HA GLU A 113 13.033 4.702 -9.876 1.00 11.40 H new ATOM 0 HB2 GLU A 113 14.550 6.571 -9.789 1.00 12.21 H new ATOM 0 HB3 GLU A 113 15.362 5.229 -10.570 1.00 12.21 H new ATOM 0 HG2 GLU A 113 14.191 7.649 -11.996 1.00 52.14 H new ATOM 0 HG3 GLU A 113 15.886 7.412 -11.619 1.00 52.14 H new ATOM 1685 N GLY A 114 11.814 7.064 -10.071 1.00 62.31 N ATOM 1686 CA GLY A 114 10.732 8.021 -10.171 1.00 24.30 C ATOM 1687 C GLY A 114 10.008 8.170 -8.857 1.00 62.31 C ATOM 1688 O GLY A 114 10.642 8.316 -7.812 1.00 24.15 O ATOM 0 H GLY A 114 12.347 7.114 -9.203 1.00 62.31 H new ATOM 0 HA2 GLY A 114 11.127 8.988 -10.483 1.00 24.30 H new ATOM 0 HA3 GLY A 114 10.030 7.700 -10.941 1.00 24.30 H new ATOM 1692 N GLU A 115 8.684 8.129 -8.895 1.00 2.40 N ATOM 1693 CA GLU A 115 7.880 8.239 -7.691 1.00 65.23 C ATOM 1694 C GLU A 115 6.643 7.360 -7.828 1.00 63.34 C ATOM 1695 O GLU A 115 5.832 7.538 -8.734 1.00 64.21 O ATOM 1696 CB GLU A 115 7.506 9.699 -7.456 1.00 50.01 C ATOM 1697 CG GLU A 115 7.441 10.075 -5.988 1.00 23.21 C ATOM 1698 CD GLU A 115 7.454 11.570 -5.778 1.00 32.40 C ATOM 1699 OE1 GLU A 115 8.550 12.149 -5.709 1.00 63.22 O ATOM 1700 OE2 GLU A 115 6.368 12.169 -5.686 1.00 10.31 O ATOM 0 H GLU A 115 8.143 8.020 -9.753 1.00 2.40 H new ATOM 0 HA GLU A 115 8.448 7.895 -6.827 1.00 65.23 H new ATOM 0 HB2 GLU A 115 8.234 10.338 -7.955 1.00 50.01 H new ATOM 0 HB3 GLU A 115 6.539 9.897 -7.918 1.00 50.01 H new ATOM 0 HG2 GLU A 115 6.536 9.656 -5.548 1.00 23.21 H new ATOM 0 HG3 GLU A 115 8.286 9.629 -5.463 1.00 23.21 H new ATOM 1707 N TYR A 116 6.535 6.386 -6.939 1.00 74.22 N ATOM 1708 CA TYR A 116 5.538 5.326 -7.061 1.00 31.01 C ATOM 1709 C TYR A 116 4.591 5.342 -5.882 1.00 21.11 C ATOM 1710 O TYR A 116 5.003 5.180 -4.743 1.00 1.32 O ATOM 1711 CB TYR A 116 6.232 3.962 -7.172 1.00 52.44 C ATOM 1712 CG TYR A 116 7.068 3.840 -8.420 1.00 2.30 C ATOM 1713 CD1 TYR A 116 6.492 3.452 -9.615 1.00 71.45 C ATOM 1714 CD2 TYR A 116 8.424 4.148 -8.410 1.00 23.32 C ATOM 1715 CE1 TYR A 116 7.234 3.384 -10.772 1.00 75.10 C ATOM 1716 CE2 TYR A 116 9.174 4.076 -9.561 1.00 51.11 C ATOM 1717 CZ TYR A 116 8.574 3.692 -10.738 1.00 70.12 C ATOM 1718 OH TYR A 116 9.314 3.640 -11.888 1.00 2.22 O ATOM 0 H TYR A 116 7.131 6.305 -6.115 1.00 74.22 H new ATOM 0 HA TYR A 116 4.956 5.500 -7.966 1.00 31.01 H new ATOM 0 HB2 TYR A 116 6.865 3.808 -6.298 1.00 52.44 H new ATOM 0 HB3 TYR A 116 5.480 3.173 -7.164 1.00 52.44 H new ATOM 0 HD1 TYR A 116 5.443 3.198 -9.641 1.00 71.45 H new ATOM 0 HD2 TYR A 116 8.895 4.448 -7.486 1.00 23.32 H new ATOM 0 HE1 TYR A 116 6.767 3.091 -11.701 1.00 75.10 H new ATOM 0 HE2 TYR A 116 10.226 4.319 -9.541 1.00 51.11 H new ATOM 0 HH TYR A 116 9.936 4.397 -11.911 1.00 2.22 H new ATOM 1728 N ILE A 117 3.318 5.546 -6.158 1.00 44.40 N ATOM 1729 CA ILE A 117 2.329 5.651 -5.105 1.00 21.22 C ATOM 1730 C ILE A 117 1.627 4.307 -4.908 1.00 61.55 C ATOM 1731 O ILE A 117 0.840 3.869 -5.751 1.00 72.22 O ATOM 1732 CB ILE A 117 1.301 6.778 -5.390 1.00 25.42 C ATOM 1733 CG1 ILE A 117 2.028 8.083 -5.758 1.00 63.41 C ATOM 1734 CG2 ILE A 117 0.429 6.994 -4.160 1.00 54.22 C ATOM 1735 CD1 ILE A 117 1.113 9.208 -6.201 1.00 22.41 C ATOM 0 H ILE A 117 2.945 5.642 -7.102 1.00 44.40 H new ATOM 0 HA ILE A 117 2.846 5.917 -4.183 1.00 21.22 H new ATOM 0 HB ILE A 117 0.672 6.483 -6.230 1.00 25.42 H new ATOM 0 HG12 ILE A 117 2.605 8.419 -4.896 1.00 63.41 H new ATOM 0 HG13 ILE A 117 2.740 7.875 -6.556 1.00 63.41 H new ATOM 0 HG21 ILE A 117 -0.293 7.786 -4.360 1.00 54.22 H new ATOM 0 HG22 ILE A 117 -0.101 6.071 -3.923 1.00 54.22 H new ATOM 0 HG23 ILE A 117 1.056 7.280 -3.315 1.00 54.22 H new ATOM 0 HD11 ILE A 117 1.709 10.089 -6.441 1.00 22.41 H new ATOM 0 HD12 ILE A 117 0.554 8.897 -7.084 1.00 22.41 H new ATOM 0 HD13 ILE A 117 0.417 9.449 -5.397 1.00 22.41 H new ATOM 1747 N VAL A 118 1.959 3.652 -3.806 1.00 34.21 N ATOM 1748 CA VAL A 118 1.357 2.381 -3.435 1.00 14.43 C ATOM 1749 C VAL A 118 0.141 2.658 -2.551 1.00 30.03 C ATOM 1750 O VAL A 118 0.218 3.476 -1.638 1.00 31.24 O ATOM 1751 CB VAL A 118 2.371 1.462 -2.681 1.00 20.54 C ATOM 1752 CG1 VAL A 118 1.772 0.091 -2.357 1.00 32.44 C ATOM 1753 CG2 VAL A 118 3.655 1.293 -3.485 1.00 44.21 C ATOM 0 H VAL A 118 2.656 3.988 -3.142 1.00 34.21 H new ATOM 0 HA VAL A 118 1.056 1.856 -4.341 1.00 14.43 H new ATOM 0 HB VAL A 118 2.605 1.956 -1.738 1.00 20.54 H new ATOM 0 HG11 VAL A 118 2.512 -0.515 -1.833 1.00 32.44 H new ATOM 0 HG12 VAL A 118 0.893 0.218 -1.725 1.00 32.44 H new ATOM 0 HG13 VAL A 118 1.484 -0.408 -3.282 1.00 32.44 H new ATOM 0 HG21 VAL A 118 4.344 0.649 -2.939 1.00 44.21 H new ATOM 0 HG22 VAL A 118 3.424 0.841 -4.450 1.00 44.21 H new ATOM 0 HG23 VAL A 118 4.117 2.268 -3.643 1.00 44.21 H new ATOM 1763 N SER A 119 -0.973 2.008 -2.847 1.00 13.31 N ATOM 1764 CA SER A 119 -2.174 2.156 -2.044 1.00 60.53 C ATOM 1765 C SER A 119 -2.630 0.809 -1.487 1.00 34.32 C ATOM 1766 O SER A 119 -2.397 -0.242 -2.083 1.00 32.42 O ATOM 1767 CB SER A 119 -3.292 2.792 -2.874 1.00 30.24 C ATOM 1768 OG SER A 119 -2.883 4.024 -3.446 1.00 52.41 O ATOM 0 H SER A 119 -1.070 1.372 -3.639 1.00 13.31 H new ATOM 0 HA SER A 119 -1.942 2.810 -1.204 1.00 60.53 H new ATOM 0 HB2 SER A 119 -3.594 2.106 -3.665 1.00 30.24 H new ATOM 0 HB3 SER A 119 -4.166 2.956 -2.243 1.00 30.24 H new ATOM 0 HG SER A 119 -3.620 4.402 -3.970 1.00 52.41 H new ATOM 1774 N LEU A 120 -3.283 0.865 -0.339 1.00 20.31 N ATOM 1775 CA LEU A 120 -3.884 -0.298 0.292 1.00 11.12 C ATOM 1776 C LEU A 120 -5.265 0.084 0.782 1.00 21.24 C ATOM 1777 O LEU A 120 -5.417 0.998 1.582 1.00 24.14 O ATOM 1778 CB LEU A 120 -2.987 -0.805 1.447 1.00 31.14 C ATOM 1779 CG LEU A 120 -3.513 -1.962 2.330 1.00 70.14 C ATOM 1780 CD1 LEU A 120 -3.925 -3.176 1.503 1.00 41.41 C ATOM 1781 CD2 LEU A 120 -2.442 -2.361 3.317 1.00 61.23 C ATOM 0 H LEU A 120 -3.412 1.729 0.187 1.00 20.31 H new ATOM 0 HA LEU A 120 -3.975 -1.115 -0.424 1.00 11.12 H new ATOM 0 HB2 LEU A 120 -2.037 -1.121 1.016 1.00 31.14 H new ATOM 0 HB3 LEU A 120 -2.775 0.042 2.100 1.00 31.14 H new ATOM 0 HG LEU A 120 -4.401 -1.606 2.853 1.00 70.14 H new ATOM 0 HD11 LEU A 120 -4.287 -3.962 2.166 1.00 41.41 H new ATOM 0 HD12 LEU A 120 -4.717 -2.892 0.810 1.00 41.41 H new ATOM 0 HD13 LEU A 120 -3.066 -3.542 0.942 1.00 41.41 H new ATOM 0 HD21 LEU A 120 -2.808 -3.176 3.941 1.00 61.23 H new ATOM 0 HD22 LEU A 120 -1.553 -2.688 2.777 1.00 61.23 H new ATOM 0 HD23 LEU A 120 -2.190 -1.507 3.946 1.00 61.23 H new ATOM 1793 N ILE A 121 -6.262 -0.612 0.278 1.00 41.35 N ATOM 1794 CA ILE A 121 -7.631 -0.408 0.697 1.00 60.31 C ATOM 1795 C ILE A 121 -8.191 -1.721 1.213 1.00 72.15 C ATOM 1796 O ILE A 121 -8.093 -2.752 0.568 1.00 11.41 O ATOM 1797 CB ILE A 121 -8.533 0.201 -0.436 1.00 15.11 C ATOM 1798 CG1 ILE A 121 -10.028 0.166 -0.032 1.00 70.42 C ATOM 1799 CG2 ILE A 121 -8.302 -0.480 -1.786 1.00 54.14 C ATOM 1800 CD1 ILE A 121 -10.962 0.874 -0.986 1.00 60.25 C ATOM 0 H ILE A 121 -6.146 -1.334 -0.433 1.00 41.35 H new ATOM 0 HA ILE A 121 -7.635 0.331 1.498 1.00 60.31 H new ATOM 0 HB ILE A 121 -8.240 1.244 -0.557 1.00 15.11 H new ATOM 0 HG12 ILE A 121 -10.341 -0.874 0.055 1.00 70.42 H new ATOM 0 HG13 ILE A 121 -10.133 0.614 0.956 1.00 70.42 H new ATOM 0 HG21 ILE A 121 -8.947 -0.026 -2.538 1.00 54.14 H new ATOM 0 HG22 ILE A 121 -7.260 -0.359 -2.081 1.00 54.14 H new ATOM 0 HG23 ILE A 121 -8.534 -1.542 -1.702 1.00 54.14 H new ATOM 0 HD11 ILE A 121 -11.985 0.795 -0.619 1.00 60.25 H new ATOM 0 HD12 ILE A 121 -10.682 1.925 -1.057 1.00 60.25 H new ATOM 0 HD13 ILE A 121 -10.894 0.413 -1.971 1.00 60.25 H new ATOM 1812 N VAL A 122 -8.739 -1.687 2.400 1.00 74.13 N ATOM 1813 CA VAL A 122 -9.343 -2.859 2.988 1.00 61.31 C ATOM 1814 C VAL A 122 -10.817 -2.608 3.206 1.00 30.20 C ATOM 1815 O VAL A 122 -11.255 -1.463 3.260 1.00 72.22 O ATOM 1816 CB VAL A 122 -8.660 -3.292 4.303 1.00 64.21 C ATOM 1817 CG1 VAL A 122 -7.278 -3.831 4.012 1.00 1.50 C ATOM 1818 CG2 VAL A 122 -8.572 -2.148 5.296 1.00 52.22 C ATOM 0 H VAL A 122 -8.780 -0.852 2.985 1.00 74.13 H new ATOM 0 HA VAL A 122 -9.207 -3.685 2.290 1.00 61.31 H new ATOM 0 HB VAL A 122 -9.271 -4.074 4.753 1.00 64.21 H new ATOM 0 HG11 VAL A 122 -6.802 -4.135 4.944 1.00 1.50 H new ATOM 0 HG12 VAL A 122 -7.356 -4.691 3.347 1.00 1.50 H new ATOM 0 HG13 VAL A 122 -6.678 -3.056 3.534 1.00 1.50 H new ATOM 0 HG21 VAL A 122 -8.085 -2.494 6.208 1.00 52.22 H new ATOM 0 HG22 VAL A 122 -7.992 -1.333 4.862 1.00 52.22 H new ATOM 0 HG23 VAL A 122 -9.575 -1.794 5.533 1.00 52.22 H new ATOM 1828 N SER A 123 -11.576 -3.669 3.329 1.00 33.11 N ATOM 1829 CA SER A 123 -13.011 -3.564 3.347 1.00 4.30 C ATOM 1830 C SER A 123 -13.617 -4.513 4.360 1.00 20.15 C ATOM 1831 O SER A 123 -13.037 -5.550 4.699 1.00 71.43 O ATOM 1832 CB SER A 123 -13.556 -3.845 1.949 1.00 45.25 C ATOM 1833 OG SER A 123 -13.020 -5.054 1.439 1.00 42.20 O ATOM 0 H SER A 123 -11.219 -4.620 3.419 1.00 33.11 H new ATOM 0 HA SER A 123 -13.286 -2.552 3.644 1.00 4.30 H new ATOM 0 HB2 SER A 123 -14.644 -3.909 1.983 1.00 45.25 H new ATOM 0 HB3 SER A 123 -13.305 -3.020 1.282 1.00 45.25 H new ATOM 0 HG SER A 123 -13.381 -5.220 0.543 1.00 42.20 H new ATOM 1839 N ASN A 124 -14.766 -4.117 4.856 1.00 40.42 N ATOM 1840 CA ASN A 124 -15.583 -4.946 5.716 1.00 12.32 C ATOM 1841 C ASN A 124 -17.034 -4.706 5.287 1.00 11.21 C ATOM 1842 O ASN A 124 -17.268 -4.032 4.279 1.00 33.12 O ATOM 1843 CB ASN A 124 -15.316 -4.590 7.197 1.00 61.23 C ATOM 1844 CG ASN A 124 -15.751 -5.672 8.177 1.00 22.31 C ATOM 1845 OD1 ASN A 124 -15.838 -6.845 7.829 1.00 14.51 O ATOM 1846 ND2 ASN A 124 -16.002 -5.289 9.413 1.00 22.14 N ATOM 0 H ASN A 124 -15.167 -3.197 4.672 1.00 40.42 H new ATOM 0 HA ASN A 124 -15.351 -6.007 5.624 1.00 12.32 H new ATOM 0 HB2 ASN A 124 -14.251 -4.400 7.329 1.00 61.23 H new ATOM 0 HB3 ASN A 124 -15.837 -3.664 7.438 1.00 61.23 H new ATOM 0 HD21 ASN A 124 -16.278 -5.977 10.114 1.00 22.14 H new ATOM 0 HD22 ASN A 124 -15.920 -4.305 9.669 1.00 22.14 H new ATOM 1853 N GLU A 125 -17.999 -5.221 6.033 1.00 11.53 N ATOM 1854 CA GLU A 125 -19.415 -5.109 5.669 1.00 60.44 C ATOM 1855 C GLU A 125 -20.025 -3.745 6.031 1.00 12.43 C ATOM 1856 O GLU A 125 -21.180 -3.466 5.697 1.00 72.35 O ATOM 1857 CB GLU A 125 -20.205 -6.263 6.295 1.00 71.44 C ATOM 1858 CG GLU A 125 -19.830 -6.576 7.736 1.00 55.15 C ATOM 1859 CD GLU A 125 -20.377 -7.907 8.192 1.00 34.10 C ATOM 1860 OE1 GLU A 125 -19.841 -8.948 7.765 1.00 41.50 O ATOM 1861 OE2 GLU A 125 -21.341 -7.920 8.979 1.00 15.42 O ATOM 0 H GLU A 125 -17.831 -5.726 6.903 1.00 11.53 H new ATOM 0 HA GLU A 125 -19.480 -5.179 4.583 1.00 60.44 H new ATOM 0 HB2 GLU A 125 -21.268 -6.024 6.253 1.00 71.44 H new ATOM 0 HB3 GLU A 125 -20.056 -7.158 5.691 1.00 71.44 H new ATOM 0 HG2 GLU A 125 -18.744 -6.578 7.835 1.00 55.15 H new ATOM 0 HG3 GLU A 125 -20.208 -5.788 8.387 1.00 55.15 H new ATOM 1868 N ASN A 126 -19.252 -2.906 6.709 1.00 63.33 N ATOM 1869 CA ASN A 126 -19.689 -1.558 7.046 1.00 0.11 C ATOM 1870 C ASN A 126 -19.197 -0.556 6.015 1.00 31.33 C ATOM 1871 O ASN A 126 -19.994 0.118 5.358 1.00 4.12 O ATOM 1872 CB ASN A 126 -19.181 -1.144 8.432 1.00 73.21 C ATOM 1873 CG ASN A 126 -19.624 -2.086 9.520 1.00 2.34 C ATOM 1874 OD1 ASN A 126 -20.729 -1.988 10.005 1.00 54.33 O ATOM 1875 ND2 ASN A 126 -18.741 -2.976 9.940 1.00 73.42 N ATOM 0 H ASN A 126 -18.315 -3.137 7.038 1.00 63.33 H new ATOM 0 HA ASN A 126 -20.779 -1.563 7.053 1.00 0.11 H new ATOM 0 HB2 ASN A 126 -18.092 -1.100 8.417 1.00 73.21 H new ATOM 0 HB3 ASN A 126 -19.538 -0.139 8.660 1.00 73.21 H new ATOM 0 HD21 ASN A 126 -18.981 -3.613 10.700 1.00 73.42 H new ATOM 0 HD22 ASN A 126 -17.820 -3.026 9.504 1.00 73.42 H new ATOM 1882 N ASP A 127 -17.880 -0.496 5.852 1.00 52.23 N ATOM 1883 CA ASP A 127 -17.245 0.543 5.053 1.00 60.14 C ATOM 1884 C ASP A 127 -15.925 0.009 4.493 1.00 50.52 C ATOM 1885 O ASP A 127 -15.509 -1.102 4.830 1.00 35.42 O ATOM 1886 CB ASP A 127 -17.020 1.784 5.950 1.00 64.25 C ATOM 1887 CG ASP A 127 -16.661 3.064 5.201 1.00 31.50 C ATOM 1888 OD1 ASP A 127 -17.184 3.282 4.089 1.00 60.00 O ATOM 1889 OD2 ASP A 127 -15.857 3.856 5.730 1.00 2.23 O ATOM 0 H ASP A 127 -17.228 -1.161 6.267 1.00 52.23 H new ATOM 0 HA ASP A 127 -17.876 0.830 4.212 1.00 60.14 H new ATOM 0 HB2 ASP A 127 -17.925 1.962 6.531 1.00 64.25 H new ATOM 0 HB3 ASP A 127 -16.224 1.561 6.660 1.00 64.25 H new ATOM 1894 N SER A 128 -15.288 0.780 3.626 1.00 32.11 N ATOM 1895 CA SER A 128 -13.942 0.491 3.173 1.00 72.43 C ATOM 1896 C SER A 128 -13.021 1.635 3.587 1.00 53.42 C ATOM 1897 O SER A 128 -13.364 2.805 3.436 1.00 44.25 O ATOM 1898 CB SER A 128 -13.908 0.281 1.654 1.00 32.24 C ATOM 1899 OG SER A 128 -14.412 1.408 0.961 1.00 45.44 O ATOM 0 H SER A 128 -15.692 1.623 3.218 1.00 32.11 H new ATOM 0 HA SER A 128 -13.597 -0.434 3.636 1.00 72.43 H new ATOM 0 HB2 SER A 128 -12.884 0.086 1.336 1.00 32.24 H new ATOM 0 HB3 SER A 128 -14.496 -0.599 1.394 1.00 32.24 H new ATOM 0 HG SER A 128 -14.375 1.242 -0.004 1.00 45.44 H new ATOM 1905 N ASP A 129 -11.866 1.288 4.123 1.00 52.15 N ATOM 1906 CA ASP A 129 -10.901 2.276 4.569 1.00 73.32 C ATOM 1907 C ASP A 129 -9.651 2.140 3.719 1.00 63.20 C ATOM 1908 O ASP A 129 -9.203 1.024 3.480 1.00 11.22 O ATOM 1909 CB ASP A 129 -10.578 2.056 6.050 1.00 53.04 C ATOM 1910 CG ASP A 129 -9.726 3.154 6.644 1.00 3.52 C ATOM 1911 OD1 ASP A 129 -10.271 4.228 6.950 1.00 55.20 O ATOM 1912 OD2 ASP A 129 -8.510 2.940 6.802 1.00 54.34 O ATOM 0 H ASP A 129 -11.571 0.321 4.261 1.00 52.15 H new ATOM 0 HA ASP A 129 -11.308 3.281 4.459 1.00 73.32 H new ATOM 0 HB2 ASP A 129 -11.510 1.984 6.611 1.00 53.04 H new ATOM 0 HB3 ASP A 129 -10.062 1.103 6.165 1.00 53.04 H new ATOM 1917 N SER A 130 -9.109 3.252 3.236 1.00 4.30 N ATOM 1918 CA SER A 130 -7.953 3.204 2.350 1.00 44.23 C ATOM 1919 C SER A 130 -6.882 4.221 2.726 1.00 73.24 C ATOM 1920 O SER A 130 -7.172 5.382 3.020 1.00 21.12 O ATOM 1921 CB SER A 130 -8.403 3.421 0.906 1.00 64.32 C ATOM 1922 OG SER A 130 -9.251 4.548 0.784 1.00 42.01 O ATOM 0 H SER A 130 -9.449 4.192 3.441 1.00 4.30 H new ATOM 0 HA SER A 130 -7.502 2.217 2.456 1.00 44.23 H new ATOM 0 HB2 SER A 130 -7.529 3.553 0.269 1.00 64.32 H new ATOM 0 HB3 SER A 130 -8.925 2.533 0.551 1.00 64.32 H new ATOM 0 HG SER A 130 -9.518 4.657 -0.153 1.00 42.01 H new ATOM 1928 N ALA A 131 -5.636 3.765 2.706 1.00 63.13 N ATOM 1929 CA ALA A 131 -4.484 4.624 2.922 1.00 41.43 C ATOM 1930 C ALA A 131 -3.552 4.525 1.724 1.00 31.12 C ATOM 1931 O ALA A 131 -3.584 3.538 0.985 1.00 73.40 O ATOM 1932 CB ALA A 131 -3.752 4.255 4.200 1.00 52.33 C ATOM 0 H ALA A 131 -5.398 2.787 2.539 1.00 63.13 H new ATOM 0 HA ALA A 131 -4.829 5.652 3.030 1.00 41.43 H new ATOM 0 HB1 ALA A 131 -2.896 4.916 4.333 1.00 52.33 H new ATOM 0 HB2 ALA A 131 -4.427 4.361 5.049 1.00 52.33 H new ATOM 0 HB3 ALA A 131 -3.407 3.223 4.137 1.00 52.33 H new ATOM 1938 N SER A 132 -2.730 5.542 1.532 1.00 24.40 N ATOM 1939 CA SER A 132 -1.854 5.609 0.378 1.00 44.23 C ATOM 1940 C SER A 132 -0.528 6.261 0.775 1.00 32.20 C ATOM 1941 O SER A 132 -0.499 7.147 1.632 1.00 73.00 O ATOM 1942 CB SER A 132 -2.551 6.413 -0.728 1.00 32.33 C ATOM 1943 OG SER A 132 -1.823 6.372 -1.935 1.00 0.10 O ATOM 0 H SER A 132 -2.652 6.337 2.166 1.00 24.40 H new ATOM 0 HA SER A 132 -1.642 4.606 0.007 1.00 44.23 H new ATOM 0 HB2 SER A 132 -3.552 6.015 -0.892 1.00 32.33 H new ATOM 0 HB3 SER A 132 -2.668 7.448 -0.408 1.00 32.33 H new ATOM 0 HG SER A 132 -2.129 5.614 -2.476 1.00 0.10 H new ATOM 1949 N VAL A 133 0.566 5.829 0.159 1.00 63.22 N ATOM 1950 CA VAL A 133 1.871 6.380 0.467 1.00 41.21 C ATOM 1951 C VAL A 133 2.662 6.637 -0.822 1.00 33.03 C ATOM 1952 O VAL A 133 2.643 5.836 -1.762 1.00 32.21 O ATOM 1953 CB VAL A 133 2.658 5.469 1.465 1.00 21.44 C ATOM 1954 CG1 VAL A 133 3.005 4.120 0.860 1.00 62.41 C ATOM 1955 CG2 VAL A 133 3.912 6.166 1.978 1.00 34.13 C ATOM 0 H VAL A 133 0.571 5.100 -0.555 1.00 63.22 H new ATOM 0 HA VAL A 133 1.728 7.338 0.967 1.00 41.21 H new ATOM 0 HB VAL A 133 1.995 5.286 2.311 1.00 21.44 H new ATOM 0 HG11 VAL A 133 3.551 3.523 1.591 1.00 62.41 H new ATOM 0 HG12 VAL A 133 2.089 3.601 0.579 1.00 62.41 H new ATOM 0 HG13 VAL A 133 3.625 4.267 -0.025 1.00 62.41 H new ATOM 0 HG21 VAL A 133 4.437 5.507 2.670 1.00 34.13 H new ATOM 0 HG22 VAL A 133 4.565 6.405 1.138 1.00 34.13 H new ATOM 0 HG23 VAL A 133 3.632 7.085 2.494 1.00 34.13 H new ATOM 1965 N THR A 134 3.307 7.790 -0.876 1.00 54.42 N ATOM 1966 CA THR A 134 4.125 8.150 -2.010 1.00 34.13 C ATOM 1967 C THR A 134 5.576 7.746 -1.747 1.00 1.11 C ATOM 1968 O THR A 134 6.255 8.322 -0.893 1.00 24.24 O ATOM 1969 CB THR A 134 4.020 9.660 -2.292 1.00 20.32 C ATOM 1970 OG1 THR A 134 2.644 10.052 -2.271 1.00 13.44 O ATOM 1971 CG2 THR A 134 4.608 10.001 -3.649 1.00 64.43 C ATOM 0 H THR A 134 3.276 8.494 -0.139 1.00 54.42 H new ATOM 0 HA THR A 134 3.767 7.618 -2.892 1.00 34.13 H new ATOM 0 HB THR A 134 4.579 10.193 -1.523 1.00 20.32 H new ATOM 0 HG1 THR A 134 2.575 11.013 -2.449 1.00 13.44 H new ATOM 0 HG21 THR A 134 4.521 11.073 -3.824 1.00 64.43 H new ATOM 0 HG22 THR A 134 5.659 9.713 -3.673 1.00 64.43 H new ATOM 0 HG23 THR A 134 4.066 9.462 -4.426 1.00 64.43 H new ATOM 1979 N ILE A 135 6.027 6.735 -2.480 1.00 41.24 N ATOM 1980 CA ILE A 135 7.375 6.205 -2.340 1.00 25.22 C ATOM 1981 C ILE A 135 8.283 6.964 -3.289 1.00 2.10 C ATOM 1982 O ILE A 135 8.046 6.987 -4.494 1.00 65.02 O ATOM 1983 CB ILE A 135 7.435 4.680 -2.681 1.00 41.22 C ATOM 1984 CG1 ILE A 135 6.341 3.892 -1.928 1.00 73.40 C ATOM 1985 CG2 ILE A 135 8.816 4.096 -2.389 1.00 50.31 C ATOM 1986 CD1 ILE A 135 6.401 4.005 -0.418 1.00 25.12 C ATOM 0 H ILE A 135 5.467 6.260 -3.188 1.00 41.24 H new ATOM 0 HA ILE A 135 7.694 6.327 -1.305 1.00 25.22 H new ATOM 0 HB ILE A 135 7.248 4.582 -3.750 1.00 41.22 H new ATOM 0 HG12 ILE A 135 5.365 4.240 -2.266 1.00 73.40 H new ATOM 0 HG13 ILE A 135 6.417 2.840 -2.203 1.00 73.40 H new ATOM 0 HG21 ILE A 135 8.822 3.035 -2.637 1.00 50.31 H new ATOM 0 HG22 ILE A 135 9.564 4.614 -2.989 1.00 50.31 H new ATOM 0 HG23 ILE A 135 9.048 4.223 -1.332 1.00 50.31 H new ATOM 0 HD11 ILE A 135 5.595 3.419 0.023 1.00 25.12 H new ATOM 0 HD12 ILE A 135 7.360 3.628 -0.063 1.00 25.12 H new ATOM 0 HD13 ILE A 135 6.292 5.050 -0.127 1.00 25.12 H new ATOM 1998 N ARG A 136 9.318 7.584 -2.754 1.00 1.13 N ATOM 1999 CA ARG A 136 10.175 8.413 -3.561 1.00 2.34 C ATOM 2000 C ARG A 136 11.478 7.691 -3.840 1.00 21.11 C ATOM 2001 O ARG A 136 12.187 7.282 -2.920 1.00 61.22 O ATOM 2002 CB ARG A 136 10.425 9.750 -2.871 1.00 24.32 C ATOM 2003 CG ARG A 136 11.121 10.769 -3.754 1.00 34.21 C ATOM 2004 CD ARG A 136 11.199 12.130 -3.093 1.00 14.21 C ATOM 2005 NE ARG A 136 9.877 12.670 -2.756 1.00 30.21 N ATOM 2006 CZ ARG A 136 9.493 13.925 -2.990 1.00 23.22 C ATOM 2007 NH1 ARG A 136 10.289 14.771 -3.635 1.00 71.45 N ATOM 2008 NH2 ARG A 136 8.296 14.327 -2.598 1.00 52.01 N ATOM 0 H ARG A 136 9.580 7.526 -1.770 1.00 1.13 H new ATOM 0 HA ARG A 136 9.683 8.615 -4.513 1.00 2.34 H new ATOM 0 HB2 ARG A 136 9.472 10.161 -2.538 1.00 24.32 H new ATOM 0 HB3 ARG A 136 11.029 9.582 -1.979 1.00 24.32 H new ATOM 0 HG2 ARG A 136 12.127 10.420 -3.987 1.00 34.21 H new ATOM 0 HG3 ARG A 136 10.586 10.855 -4.700 1.00 34.21 H new ATOM 0 HD2 ARG A 136 11.799 12.055 -2.186 1.00 14.21 H new ATOM 0 HD3 ARG A 136 11.712 12.824 -3.758 1.00 14.21 H new ATOM 0 HE ARG A 136 9.206 12.043 -2.313 1.00 30.21 H new ATOM 0 HH11 ARG A 136 11.206 14.463 -3.958 1.00 71.45 H new ATOM 0 HH12 ARG A 136 9.983 15.729 -3.807 1.00 71.45 H new ATOM 0 HH21 ARG A 136 7.672 13.678 -2.119 1.00 52.01 H new ATOM 0 HH22 ARG A 136 7.997 15.286 -2.774 1.00 52.01 H new ATOM 2022 N ALA A 137 11.759 7.527 -5.119 1.00 72.24 N ATOM 2023 CA ALA A 137 12.988 6.924 -5.568 1.00 60.32 C ATOM 2024 C ALA A 137 13.903 8.014 -6.098 1.00 44.20 C ATOM 2025 O ALA A 137 13.588 8.662 -7.104 1.00 2.01 O ATOM 2026 CB ALA A 137 12.715 5.867 -6.629 1.00 52.43 C ATOM 0 H ALA A 137 11.135 7.811 -5.874 1.00 72.24 H new ATOM 0 HA ALA A 137 13.477 6.422 -4.733 1.00 60.32 H new ATOM 0 HB1 ALA A 137 13.657 5.425 -6.953 1.00 52.43 H new ATOM 0 HB2 ALA A 137 12.074 5.090 -6.212 1.00 52.43 H new ATOM 0 HB3 ALA A 137 12.218 6.328 -7.482 1.00 52.43 H new ATOM 2032 N LEU A 138 15.005 8.231 -5.383 1.00 71.01 N ATOM 2033 CA LEU A 138 15.967 9.280 -5.699 1.00 62.22 C ATOM 2034 C LEU A 138 16.618 9.038 -7.049 1.00 44.22 C ATOM 2035 O LEU A 138 17.061 7.926 -7.353 1.00 65.42 O ATOM 2036 CB LEU A 138 17.037 9.382 -4.601 1.00 30.31 C ATOM 2037 CG LEU A 138 16.556 9.896 -3.233 1.00 62.44 C ATOM 2038 CD1 LEU A 138 17.701 9.909 -2.236 1.00 43.14 C ATOM 2039 CD2 LEU A 138 15.960 11.286 -3.365 1.00 12.35 C ATOM 0 H LEU A 138 15.256 7.679 -4.563 1.00 71.01 H new ATOM 0 HA LEU A 138 15.426 10.225 -5.748 1.00 62.22 H new ATOM 0 HB2 LEU A 138 17.480 8.396 -4.461 1.00 30.31 H new ATOM 0 HB3 LEU A 138 17.830 10.040 -4.955 1.00 30.31 H new ATOM 0 HG LEU A 138 15.783 9.220 -2.867 1.00 62.44 H new ATOM 0 HD11 LEU A 138 17.342 10.275 -1.274 1.00 43.14 H new ATOM 0 HD12 LEU A 138 18.091 8.898 -2.117 1.00 43.14 H new ATOM 0 HD13 LEU A 138 18.493 10.563 -2.600 1.00 43.14 H new ATOM 0 HD21 LEU A 138 15.625 11.633 -2.387 1.00 12.35 H new ATOM 0 HD22 LEU A 138 16.714 11.970 -3.754 1.00 12.35 H new ATOM 0 HD23 LEU A 138 15.112 11.255 -4.049 1.00 12.35 H new