USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 810 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 65 GLN : amide:sc= 0.0217 K(o=-1,f=-1.7) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -1.03 USER MOD Set 2.1: A 29 TYR OH : rot 70:sc= 0.163 USER MOD Set 2.2: A 97 THR OG1 : rot -115:sc= 0.136 USER MOD Single : A 6 SER OG : rot -103:sc= -0.355 USER MOD Single : A 9 SER OG : rot -150:sc= -1.02 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -3.6! C(o=-4.3!,f=-3.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0617 USER MOD Single : A 47 ASN : amide:sc= -0.0327 K(o=-0.033,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 54 SER OG : rot 180:sc= -0.72 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 89:sc= 1.09 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 140:sc= 0.509 USER MOD Single : A 77 SER OG : rot 49:sc= 0.789 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.239 F(o=-1.2,f=-0.24) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc=-0.000553 USER MOD Single : A 87 CYS SG : rot 92:sc= 0.00142 USER MOD Single : A 89 HIS : +bothHN:sc= -2.15! C(o=-2.1!,f=-4.7!) USER MOD Single : A 90 GLN :FLIP amide:sc= 1.04 F(o=-0.14,f=1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -162:sc=-0.00082 (180deg=-0.227) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 0.656 7.760 2.642 1.00 11.52 N ATOM 53 CA SER A 6 0.453 9.192 2.828 1.00 42.23 C ATOM 54 C SER A 6 -0.043 9.843 1.541 1.00 24.53 C ATOM 55 O SER A 6 0.624 9.791 0.508 1.00 21.20 O ATOM 56 CB SER A 6 1.753 9.858 3.283 1.00 2.30 C ATOM 57 OG SER A 6 1.694 11.263 3.107 1.00 1.11 O ATOM 0 HA SER A 6 -0.306 9.329 3.598 1.00 42.23 H new ATOM 0 HB2 SER A 6 1.936 9.627 4.332 1.00 2.30 H new ATOM 0 HB3 SER A 6 2.591 9.452 2.717 1.00 2.30 H new ATOM 0 HG SER A 6 2.213 11.515 2.315 1.00 1.11 H new ATOM 63 N VAL A 7 -1.220 10.457 1.611 1.00 2.42 N ATOM 64 CA VAL A 7 -1.806 11.120 0.452 1.00 63.44 C ATOM 65 C VAL A 7 -0.973 12.323 0.027 1.00 41.43 C ATOM 66 O VAL A 7 -0.653 12.485 -1.152 1.00 41.42 O ATOM 67 CB VAL A 7 -3.247 11.583 0.741 1.00 13.31 C ATOM 68 CG1 VAL A 7 -3.817 12.329 -0.456 1.00 43.13 C ATOM 69 CG2 VAL A 7 -4.125 10.396 1.108 1.00 11.23 C ATOM 0 H VAL A 7 -1.786 10.509 2.458 1.00 2.42 H new ATOM 0 HA VAL A 7 -1.821 10.390 -0.357 1.00 63.44 H new ATOM 0 HB VAL A 7 -3.228 12.266 1.590 1.00 13.31 H new ATOM 0 HG11 VAL A 7 -4.835 12.649 -0.234 1.00 43.13 H new ATOM 0 HG12 VAL A 7 -3.200 13.203 -0.668 1.00 43.13 H new ATOM 0 HG13 VAL A 7 -3.824 11.671 -1.325 1.00 43.13 H new ATOM 0 HG21 VAL A 7 -5.139 10.742 1.309 1.00 11.23 H new ATOM 0 HG22 VAL A 7 -4.141 9.686 0.281 1.00 11.23 H new ATOM 0 HG23 VAL A 7 -3.725 9.909 1.997 1.00 11.23 H new ATOM 79 N LEU A 8 -0.621 13.164 0.994 1.00 62.12 N ATOM 80 CA LEU A 8 0.176 14.353 0.720 1.00 15.51 C ATOM 81 C LEU A 8 1.594 14.195 1.262 1.00 64.14 C ATOM 82 O LEU A 8 1.790 13.758 2.396 1.00 61.14 O ATOM 83 CB LEU A 8 -0.482 15.588 1.338 1.00 43.01 C ATOM 84 CG LEU A 8 -1.918 15.875 0.896 1.00 14.12 C ATOM 85 CD1 LEU A 8 -2.455 17.111 1.599 1.00 65.02 C ATOM 86 CD2 LEU A 8 -1.985 16.047 -0.615 1.00 1.22 C ATOM 0 H LEU A 8 -0.875 13.044 1.974 1.00 62.12 H new ATOM 0 HA LEU A 8 0.231 14.481 -0.361 1.00 15.51 H new ATOM 0 HB2 LEU A 8 -0.472 15.476 2.422 1.00 43.01 H new ATOM 0 HB3 LEU A 8 0.131 16.458 1.102 1.00 43.01 H new ATOM 0 HG LEU A 8 -2.541 15.025 1.174 1.00 14.12 H new ATOM 0 HD11 LEU A 8 -3.478 17.300 1.272 1.00 65.02 H new ATOM 0 HD12 LEU A 8 -2.442 16.951 2.677 1.00 65.02 H new ATOM 0 HD13 LEU A 8 -1.831 17.970 1.352 1.00 65.02 H new ATOM 0 HD21 LEU A 8 -3.014 16.251 -0.913 1.00 1.22 H new ATOM 0 HD22 LEU A 8 -1.349 16.880 -0.915 1.00 1.22 H new ATOM 0 HD23 LEU A 8 -1.641 15.134 -1.101 1.00 1.22 H new ATOM 98 N SER A 9 2.578 14.554 0.444 1.00 40.22 N ATOM 99 CA SER A 9 3.977 14.450 0.840 1.00 54.12 C ATOM 100 C SER A 9 4.324 15.500 1.891 1.00 74.31 C ATOM 101 O SER A 9 3.442 16.155 2.445 1.00 35.41 O ATOM 102 CB SER A 9 4.888 14.611 -0.378 1.00 60.24 C ATOM 103 OG SER A 9 5.351 15.945 -0.495 1.00 12.35 O ATOM 0 H SER A 9 2.432 14.919 -0.497 1.00 40.22 H new ATOM 0 HA SER A 9 4.133 13.462 1.273 1.00 54.12 H new ATOM 0 HB2 SER A 9 5.738 13.934 -0.293 1.00 60.24 H new ATOM 0 HB3 SER A 9 4.346 14.330 -1.281 1.00 60.24 H new ATOM 0 HG SER A 9 5.503 16.157 -1.440 1.00 12.35 H new ATOM 109 N GLY A 10 5.617 15.655 2.161 1.00 20.44 N ATOM 110 CA GLY A 10 6.059 16.627 3.144 1.00 73.12 C ATOM 111 C GLY A 10 5.680 18.045 2.768 1.00 11.22 C ATOM 112 O GLY A 10 4.919 18.701 3.477 1.00 54.53 O ATOM 0 H GLY A 10 6.366 15.125 1.716 1.00 20.44 H new ATOM 0 HA2 GLY A 10 5.624 16.383 4.113 1.00 73.12 H new ATOM 0 HA3 GLY A 10 7.141 16.561 3.255 1.00 73.12 H new ATOM 116 N GLY A 11 6.215 18.522 1.647 1.00 70.03 N ATOM 117 CA GLY A 11 5.919 19.870 1.198 1.00 52.24 C ATOM 118 C GLY A 11 4.435 20.097 0.986 1.00 3.11 C ATOM 119 O GLY A 11 3.931 21.197 1.211 1.00 30.44 O ATOM 0 H GLY A 11 6.848 17.998 1.042 1.00 70.03 H new ATOM 0 HA2 GLY A 11 6.292 20.584 1.932 1.00 52.24 H new ATOM 0 HA3 GLY A 11 6.450 20.064 0.266 1.00 52.24 H new ATOM 123 N GLU A 12 3.735 19.054 0.550 1.00 0.22 N ATOM 124 CA GLU A 12 2.301 19.147 0.305 1.00 44.21 C ATOM 125 C GLU A 12 1.528 19.229 1.619 1.00 12.35 C ATOM 126 O GLU A 12 0.580 20.005 1.747 1.00 71.31 O ATOM 127 CB GLU A 12 1.820 17.943 -0.507 1.00 33.35 C ATOM 128 CG GLU A 12 2.718 17.607 -1.686 1.00 34.02 C ATOM 129 CD GLU A 12 2.063 16.654 -2.667 1.00 31.32 C ATOM 130 OE1 GLU A 12 1.806 15.494 -2.283 1.00 33.31 O ATOM 131 OE2 GLU A 12 1.807 17.068 -3.817 1.00 45.03 O ATOM 0 H GLU A 12 4.137 18.136 0.360 1.00 0.22 H new ATOM 0 HA GLU A 12 2.115 20.058 -0.264 1.00 44.21 H new ATOM 0 HB2 GLU A 12 1.756 17.075 0.149 1.00 33.35 H new ATOM 0 HB3 GLU A 12 0.813 18.141 -0.873 1.00 33.35 H new ATOM 0 HG2 GLU A 12 2.989 18.527 -2.205 1.00 34.02 H new ATOM 0 HG3 GLU A 12 3.643 17.164 -1.318 1.00 34.02 H new ATOM 138 N LEU A 13 1.940 18.423 2.591 1.00 4.12 N ATOM 139 CA LEU A 13 1.287 18.402 3.895 1.00 51.33 C ATOM 140 C LEU A 13 1.238 19.801 4.502 1.00 54.33 C ATOM 141 O LEU A 13 0.182 20.268 4.929 1.00 60.24 O ATOM 142 CB LEU A 13 2.022 17.450 4.840 1.00 4.33 C ATOM 143 CG LEU A 13 1.237 16.986 6.068 1.00 62.42 C ATOM 144 CD1 LEU A 13 2.018 15.927 6.831 1.00 64.15 C ATOM 145 CD2 LEU A 13 0.913 18.167 6.972 1.00 3.21 C ATOM 0 H LEU A 13 2.723 17.776 2.501 1.00 4.12 H new ATOM 0 HA LEU A 13 0.265 18.050 3.756 1.00 51.33 H new ATOM 0 HB2 LEU A 13 2.325 16.570 4.273 1.00 4.33 H new ATOM 0 HB3 LEU A 13 2.934 17.940 5.180 1.00 4.33 H new ATOM 0 HG LEU A 13 0.299 16.545 5.731 1.00 62.42 H new ATOM 0 HD11 LEU A 13 1.444 15.609 7.701 1.00 64.15 H new ATOM 0 HD12 LEU A 13 2.199 15.070 6.182 1.00 64.15 H new ATOM 0 HD13 LEU A 13 2.972 16.342 7.157 1.00 64.15 H new ATOM 0 HD21 LEU A 13 0.354 17.818 7.840 1.00 3.21 H new ATOM 0 HD22 LEU A 13 1.839 18.638 7.302 1.00 3.21 H new ATOM 0 HD23 LEU A 13 0.313 18.892 6.422 1.00 3.21 H new ATOM 157 N ASP A 14 2.388 20.467 4.535 1.00 20.33 N ATOM 158 CA ASP A 14 2.477 21.814 5.086 1.00 1.22 C ATOM 159 C ASP A 14 1.443 22.734 4.442 1.00 74.52 C ATOM 160 O ASP A 14 0.553 23.252 5.116 1.00 11.40 O ATOM 161 CB ASP A 14 3.882 22.382 4.878 1.00 63.12 C ATOM 162 CG ASP A 14 4.687 22.415 6.162 1.00 31.01 C ATOM 163 OD1 ASP A 14 4.890 21.339 6.763 1.00 43.41 O ATOM 164 OD2 ASP A 14 5.116 23.517 6.565 1.00 52.03 O ATOM 0 H ASP A 14 3.272 20.095 4.186 1.00 20.33 H new ATOM 0 HA ASP A 14 2.271 21.757 6.155 1.00 1.22 H new ATOM 0 HB2 ASP A 14 4.409 21.780 4.137 1.00 63.12 H new ATOM 0 HB3 ASP A 14 3.807 23.391 4.473 1.00 63.12 H new ATOM 169 N LYS A 15 1.567 22.931 3.134 1.00 13.12 N ATOM 170 CA LYS A 15 0.645 23.787 2.398 1.00 22.12 C ATOM 171 C LYS A 15 -0.802 23.392 2.675 1.00 2.31 C ATOM 172 O LYS A 15 -1.658 24.250 2.891 1.00 22.34 O ATOM 173 CB LYS A 15 0.929 23.706 0.896 1.00 71.54 C ATOM 174 CG LYS A 15 2.289 24.257 0.504 1.00 2.23 C ATOM 175 CD LYS A 15 2.488 24.230 -1.002 1.00 11.00 C ATOM 176 CE LYS A 15 2.776 22.822 -1.501 1.00 13.54 C ATOM 177 NZ LYS A 15 3.700 22.827 -2.670 1.00 13.21 N ATOM 0 H LYS A 15 2.298 22.509 2.561 1.00 13.12 H new ATOM 0 HA LYS A 15 0.794 24.813 2.734 1.00 22.12 H new ATOM 0 HB2 LYS A 15 0.862 22.666 0.578 1.00 71.54 H new ATOM 0 HB3 LYS A 15 0.155 24.254 0.358 1.00 71.54 H new ATOM 0 HG2 LYS A 15 2.386 25.280 0.867 1.00 2.23 H new ATOM 0 HG3 LYS A 15 3.072 23.672 0.986 1.00 2.23 H new ATOM 0 HD2 LYS A 15 1.596 24.617 -1.495 1.00 11.00 H new ATOM 0 HD3 LYS A 15 3.313 24.889 -1.273 1.00 11.00 H new ATOM 0 HE2 LYS A 15 3.213 22.233 -0.695 1.00 13.54 H new ATOM 0 HE3 LYS A 15 1.841 22.337 -1.779 1.00 13.54 H new ATOM 0 HZ1 LYS A 15 3.872 21.850 -2.981 1.00 13.21 H new ATOM 0 HZ2 LYS A 15 3.272 23.368 -3.448 1.00 13.21 H new ATOM 0 HZ3 LYS A 15 4.602 23.267 -2.398 1.00 13.21 H new ATOM 191 N TRP A 16 -1.067 22.091 2.667 1.00 24.05 N ATOM 192 CA TRP A 16 -2.411 21.583 2.919 1.00 14.33 C ATOM 193 C TRP A 16 -2.978 22.162 4.210 1.00 23.41 C ATOM 194 O TRP A 16 -4.085 22.699 4.226 1.00 63.04 O ATOM 195 CB TRP A 16 -2.396 20.056 2.992 1.00 32.22 C ATOM 196 CG TRP A 16 -3.699 19.470 3.446 1.00 54.14 C ATOM 197 CD1 TRP A 16 -3.992 18.990 4.690 1.00 61.44 C ATOM 198 CD2 TRP A 16 -4.883 19.302 2.659 1.00 74.12 C ATOM 199 NE1 TRP A 16 -5.288 18.532 4.725 1.00 35.10 N ATOM 200 CE2 TRP A 16 -5.856 18.714 3.492 1.00 71.11 C ATOM 201 CE3 TRP A 16 -5.218 19.593 1.334 1.00 53.41 C ATOM 202 CZ2 TRP A 16 -7.137 18.412 3.039 1.00 62.53 C ATOM 203 CZ3 TRP A 16 -6.490 19.292 0.887 1.00 11.24 C ATOM 204 CH2 TRP A 16 -7.438 18.707 1.738 1.00 33.43 C ATOM 0 H TRP A 16 -0.369 21.368 2.489 1.00 24.05 H new ATOM 0 HA TRP A 16 -3.051 21.893 2.093 1.00 14.33 H new ATOM 0 HB2 TRP A 16 -2.148 19.655 2.009 1.00 32.22 H new ATOM 0 HB3 TRP A 16 -1.606 19.740 3.674 1.00 32.22 H new ATOM 0 HD1 TRP A 16 -3.306 18.973 5.524 1.00 61.44 H new ATOM 0 HE1 TRP A 16 -5.751 18.123 5.537 1.00 35.10 H new ATOM 0 HE3 TRP A 16 -4.495 20.045 0.671 1.00 53.41 H new ATOM 0 HZ2 TRP A 16 -7.868 17.960 3.693 1.00 62.53 H new ATOM 0 HZ3 TRP A 16 -6.759 19.511 -0.136 1.00 11.24 H new ATOM 0 HH2 TRP A 16 -8.425 18.485 1.359 1.00 33.43 H new ATOM 215 N GLU A 17 -2.213 22.047 5.291 1.00 60.00 N ATOM 216 CA GLU A 17 -2.642 22.558 6.588 1.00 14.52 C ATOM 217 C GLU A 17 -2.868 24.066 6.530 1.00 11.23 C ATOM 218 O GLU A 17 -3.585 24.630 7.356 1.00 52.32 O ATOM 219 CB GLU A 17 -1.601 22.229 7.660 1.00 53.22 C ATOM 220 CG GLU A 17 -1.848 20.903 8.360 1.00 61.50 C ATOM 221 CD GLU A 17 -1.416 20.921 9.814 1.00 32.24 C ATOM 222 OE1 GLU A 17 -2.207 21.382 10.662 1.00 42.32 O ATOM 223 OE2 GLU A 17 -0.287 20.474 10.102 1.00 73.43 O ATOM 0 H GLU A 17 -1.294 21.605 5.295 1.00 60.00 H new ATOM 0 HA GLU A 17 -3.585 22.076 6.847 1.00 14.52 H new ATOM 0 HB2 GLU A 17 -0.613 22.210 7.201 1.00 53.22 H new ATOM 0 HB3 GLU A 17 -1.592 23.027 8.403 1.00 53.22 H new ATOM 0 HG2 GLU A 17 -2.909 20.658 8.303 1.00 61.50 H new ATOM 0 HG3 GLU A 17 -1.310 20.114 7.835 1.00 61.50 H new ATOM 230 N LYS A 18 -2.249 24.714 5.548 1.00 11.20 N ATOM 231 CA LYS A 18 -2.382 26.156 5.380 1.00 43.31 C ATOM 232 C LYS A 18 -3.784 26.521 4.901 1.00 13.41 C ATOM 233 O LYS A 18 -4.535 27.196 5.607 1.00 21.55 O ATOM 234 CB LYS A 18 -1.341 26.672 4.384 1.00 40.33 C ATOM 235 CG LYS A 18 -0.608 27.915 4.860 1.00 54.23 C ATOM 236 CD LYS A 18 0.587 27.560 5.729 1.00 62.41 C ATOM 237 CE LYS A 18 0.422 28.088 7.146 1.00 71.21 C ATOM 238 NZ LYS A 18 1.705 28.062 7.901 1.00 11.42 N ATOM 0 H LYS A 18 -1.650 24.263 4.857 1.00 11.20 H new ATOM 0 HA LYS A 18 -2.214 26.627 6.349 1.00 43.31 H new ATOM 0 HB2 LYS A 18 -0.614 25.883 4.190 1.00 40.33 H new ATOM 0 HB3 LYS A 18 -1.834 26.891 3.437 1.00 40.33 H new ATOM 0 HG2 LYS A 18 -0.274 28.493 3.999 1.00 54.23 H new ATOM 0 HG3 LYS A 18 -1.293 28.549 5.423 1.00 54.23 H new ATOM 0 HD2 LYS A 18 0.710 26.477 5.755 1.00 62.41 H new ATOM 0 HD3 LYS A 18 1.494 27.974 5.289 1.00 62.41 H new ATOM 0 HE2 LYS A 18 0.042 29.109 7.111 1.00 71.21 H new ATOM 0 HE3 LYS A 18 -0.321 27.489 7.672 1.00 71.21 H new ATOM 0 HZ1 LYS A 18 1.550 28.430 8.861 1.00 11.42 H new ATOM 0 HZ2 LYS A 18 2.055 27.084 7.957 1.00 11.42 H new ATOM 0 HZ3 LYS A 18 2.407 28.654 7.413 1.00 11.42 H new ATOM 252 N ILE A 19 -4.129 26.072 3.699 1.00 13.33 N ATOM 253 CA ILE A 19 -5.441 26.349 3.128 1.00 51.52 C ATOM 254 C ILE A 19 -6.543 26.157 4.164 1.00 10.00 C ATOM 255 O ILE A 19 -6.446 25.293 5.035 1.00 74.03 O ATOM 256 CB ILE A 19 -5.729 25.448 1.914 1.00 21.50 C ATOM 257 CG1 ILE A 19 -4.650 25.633 0.846 1.00 31.35 C ATOM 258 CG2 ILE A 19 -7.106 25.752 1.343 1.00 32.31 C ATOM 259 CD1 ILE A 19 -4.489 24.434 -0.064 1.00 32.13 C ATOM 0 H ILE A 19 -3.518 25.515 3.102 1.00 13.33 H new ATOM 0 HA ILE A 19 -5.430 27.389 2.802 1.00 51.52 H new ATOM 0 HB ILE A 19 -5.715 24.408 2.241 1.00 21.50 H new ATOM 0 HG12 ILE A 19 -4.894 26.507 0.242 1.00 31.35 H new ATOM 0 HG13 ILE A 19 -3.698 25.839 1.335 1.00 31.35 H new ATOM 0 HG21 ILE A 19 -7.295 25.107 0.485 1.00 32.31 H new ATOM 0 HG22 ILE A 19 -7.864 25.573 2.106 1.00 32.31 H new ATOM 0 HG23 ILE A 19 -7.147 26.795 1.029 1.00 32.31 H new ATOM 0 HD11 ILE A 19 -3.707 24.635 -0.796 1.00 32.13 H new ATOM 0 HD12 ILE A 19 -4.215 23.561 0.529 1.00 32.13 H new ATOM 0 HD13 ILE A 19 -5.429 24.240 -0.581 1.00 32.13 H new ATOM 271 N ARG A 20 -7.592 26.967 4.062 1.00 53.02 N ATOM 272 CA ARG A 20 -8.713 26.885 4.990 1.00 25.14 C ATOM 273 C ARG A 20 -9.985 26.448 4.268 1.00 51.01 C ATOM 274 O ARG A 20 -10.107 26.604 3.053 1.00 53.22 O ATOM 275 CB ARG A 20 -8.939 28.237 5.669 1.00 44.24 C ATOM 276 CG ARG A 20 -7.969 28.518 6.805 1.00 14.13 C ATOM 277 CD ARG A 20 -7.665 30.003 6.923 1.00 70.21 C ATOM 278 NE ARG A 20 -6.442 30.253 7.681 1.00 75.45 N ATOM 279 CZ ARG A 20 -5.865 31.446 7.774 1.00 30.21 C ATOM 280 NH1 ARG A 20 -6.398 32.493 7.160 1.00 1.44 N ATOM 281 NH2 ARG A 20 -4.754 31.594 8.483 1.00 60.14 N ATOM 0 H ARG A 20 -7.689 27.687 3.346 1.00 53.02 H new ATOM 0 HA ARG A 20 -8.472 26.140 5.748 1.00 25.14 H new ATOM 0 HB2 ARG A 20 -8.851 29.027 4.924 1.00 44.24 H new ATOM 0 HB3 ARG A 20 -9.958 28.274 6.055 1.00 44.24 H new ATOM 0 HG2 ARG A 20 -8.391 28.156 7.743 1.00 14.13 H new ATOM 0 HG3 ARG A 20 -7.043 27.968 6.639 1.00 14.13 H new ATOM 0 HD2 ARG A 20 -7.568 30.433 5.926 1.00 70.21 H new ATOM 0 HD3 ARG A 20 -8.501 30.507 7.408 1.00 70.21 H new ATOM 0 HE ARG A 20 -6.007 29.468 8.166 1.00 75.45 H new ATOM 0 HH11 ARG A 20 -7.253 32.384 6.615 1.00 1.44 H new ATOM 0 HH12 ARG A 20 -5.953 33.408 7.233 1.00 1.44 H new ATOM 0 HH21 ARG A 20 -4.341 30.791 8.958 1.00 60.14 H new ATOM 0 HH22 ARG A 20 -4.312 32.511 8.553 1.00 60.14 H new ATOM 295 N LEU A 21 -10.929 25.898 5.025 1.00 51.10 N ATOM 296 CA LEU A 21 -12.192 25.438 4.458 1.00 72.45 C ATOM 297 C LEU A 21 -13.032 26.613 3.972 1.00 44.24 C ATOM 298 O LEU A 21 -13.690 26.532 2.935 1.00 25.01 O ATOM 299 CB LEU A 21 -12.974 24.631 5.496 1.00 65.02 C ATOM 300 CG LEU A 21 -12.249 23.426 6.097 1.00 34.04 C ATOM 301 CD1 LEU A 21 -12.876 23.033 7.425 1.00 14.15 C ATOM 302 CD2 LEU A 21 -12.270 22.253 5.127 1.00 22.10 C ATOM 0 H LEU A 21 -10.844 25.760 6.032 1.00 51.10 H new ATOM 0 HA LEU A 21 -11.967 24.800 3.603 1.00 72.45 H new ATOM 0 HB2 LEU A 21 -13.258 25.300 6.308 1.00 65.02 H new ATOM 0 HB3 LEU A 21 -13.897 24.281 5.034 1.00 65.02 H new ATOM 0 HG LEU A 21 -11.211 23.704 6.278 1.00 34.04 H new ATOM 0 HD11 LEU A 21 -12.347 22.174 7.837 1.00 14.15 H new ATOM 0 HD12 LEU A 21 -12.808 23.869 8.121 1.00 14.15 H new ATOM 0 HD13 LEU A 21 -13.923 22.774 7.270 1.00 14.15 H new ATOM 0 HD21 LEU A 21 -11.750 21.404 5.571 1.00 22.10 H new ATOM 0 HD22 LEU A 21 -13.302 21.975 4.915 1.00 22.10 H new ATOM 0 HD23 LEU A 21 -11.773 22.539 4.200 1.00 22.10 H new ATOM 314 N ARG A 22 -13.003 27.707 4.727 1.00 14.20 N ATOM 315 CA ARG A 22 -13.761 28.901 4.372 1.00 24.33 C ATOM 316 C ARG A 22 -12.828 30.077 4.099 1.00 2.03 C ATOM 317 O ARG A 22 -11.704 30.137 4.597 1.00 35.11 O ATOM 318 CB ARG A 22 -14.739 29.262 5.492 1.00 70.53 C ATOM 319 CG ARG A 22 -16.145 28.731 5.267 1.00 50.13 C ATOM 320 CD ARG A 22 -17.195 29.787 5.577 1.00 30.41 C ATOM 321 NE ARG A 22 -17.152 30.206 6.975 1.00 65.11 N ATOM 322 CZ ARG A 22 -17.740 31.308 7.430 1.00 62.13 C ATOM 323 NH1 ARG A 22 -18.412 32.095 6.602 1.00 11.24 N ATOM 324 NH2 ARG A 22 -17.657 31.622 8.717 1.00 63.20 N ATOM 0 H ARG A 22 -12.463 27.791 5.588 1.00 14.20 H new ATOM 0 HA ARG A 22 -14.323 28.687 3.463 1.00 24.33 H new ATOM 0 HB2 ARG A 22 -14.358 28.870 6.435 1.00 70.53 H new ATOM 0 HB3 ARG A 22 -14.781 30.347 5.591 1.00 70.53 H new ATOM 0 HG2 ARG A 22 -16.251 28.404 4.233 1.00 50.13 H new ATOM 0 HG3 ARG A 22 -16.310 27.856 5.896 1.00 50.13 H new ATOM 0 HD2 ARG A 22 -17.039 30.653 4.934 1.00 30.41 H new ATOM 0 HD3 ARG A 22 -18.185 29.393 5.347 1.00 30.41 H new ATOM 0 HE ARG A 22 -16.643 29.622 7.638 1.00 65.11 H new ATOM 0 HH11 ARG A 22 -18.479 31.856 5.613 1.00 11.24 H new ATOM 0 HH12 ARG A 22 -18.862 32.940 6.954 1.00 11.24 H new ATOM 0 HH21 ARG A 22 -17.142 31.018 9.357 1.00 63.20 H new ATOM 0 HH22 ARG A 22 -18.108 32.468 9.066 1.00 63.20 H new ATOM 338 N PRO A 23 -13.304 31.034 3.289 1.00 34.33 N ATOM 339 CA PRO A 23 -12.528 32.225 2.932 1.00 2.33 C ATOM 340 C PRO A 23 -12.348 33.176 4.110 1.00 41.04 C ATOM 341 O PRO A 23 -11.295 33.792 4.268 1.00 3.21 O ATOM 342 CB PRO A 23 -13.373 32.884 1.838 1.00 42.20 C ATOM 343 CG PRO A 23 -14.764 32.418 2.102 1.00 71.45 C ATOM 344 CD PRO A 23 -14.635 31.027 2.661 1.00 13.21 C ATOM 0 HA PRO A 23 -11.516 31.971 2.615 1.00 2.33 H new ATOM 0 HB2 PRO A 23 -13.304 33.971 1.885 1.00 42.20 H new ATOM 0 HB3 PRO A 23 -13.037 32.586 0.845 1.00 42.20 H new ATOM 0 HG2 PRO A 23 -15.269 33.077 2.808 1.00 71.45 H new ATOM 0 HG3 PRO A 23 -15.356 32.418 1.187 1.00 71.45 H new ATOM 0 HD2 PRO A 23 -15.420 30.811 3.386 1.00 13.21 H new ATOM 0 HD3 PRO A 23 -14.706 30.271 1.879 1.00 13.21 H new ATOM 352 N GLY A 24 -13.383 33.288 4.937 1.00 50.23 N ATOM 353 CA GLY A 24 -13.318 34.166 6.092 1.00 1.01 C ATOM 354 C GLY A 24 -13.439 33.411 7.400 1.00 71.25 C ATOM 355 O GLY A 24 -14.007 33.917 8.367 1.00 55.52 O ATOM 0 H GLY A 24 -14.265 32.787 4.828 1.00 50.23 H new ATOM 0 HA2 GLY A 24 -12.375 34.712 6.077 1.00 1.01 H new ATOM 0 HA3 GLY A 24 -14.116 34.906 6.028 1.00 1.01 H new ATOM 359 N GLY A 25 -12.904 32.194 7.431 1.00 63.04 N ATOM 360 CA GLY A 25 -12.968 31.386 8.635 1.00 51.45 C ATOM 361 C GLY A 25 -11.623 31.269 9.327 1.00 1.04 C ATOM 362 O GLY A 25 -10.656 31.924 8.936 1.00 4.41 O ATOM 0 H GLY A 25 -12.428 31.753 6.644 1.00 63.04 H new ATOM 0 HA2 GLY A 25 -13.691 31.823 9.324 1.00 51.45 H new ATOM 0 HA3 GLY A 25 -13.331 30.390 8.382 1.00 51.45 H new ATOM 366 N LYS A 26 -11.560 30.434 10.358 1.00 22.43 N ATOM 367 CA LYS A 26 -10.324 30.232 11.105 1.00 44.04 C ATOM 368 C LYS A 26 -9.947 28.755 11.144 1.00 54.54 C ATOM 369 O LYS A 26 -8.915 28.382 11.703 1.00 54.01 O ATOM 370 CB LYS A 26 -10.474 30.769 12.531 1.00 61.31 C ATOM 371 CG LYS A 26 -9.177 31.293 13.122 1.00 53.21 C ATOM 372 CD LYS A 26 -8.816 30.567 14.407 1.00 23.25 C ATOM 373 CE LYS A 26 -9.761 30.935 15.541 1.00 11.14 C ATOM 374 NZ LYS A 26 -9.458 30.175 16.784 1.00 42.14 N ATOM 0 H LYS A 26 -12.351 29.886 10.696 1.00 22.43 H new ATOM 0 HA LYS A 26 -9.528 30.778 10.598 1.00 44.04 H new ATOM 0 HB2 LYS A 26 -11.214 31.569 12.533 1.00 61.31 H new ATOM 0 HB3 LYS A 26 -10.861 29.976 13.170 1.00 61.31 H new ATOM 0 HG2 LYS A 26 -8.372 31.174 12.397 1.00 53.21 H new ATOM 0 HG3 LYS A 26 -9.272 32.361 13.321 1.00 53.21 H new ATOM 0 HD2 LYS A 26 -8.849 29.490 14.239 1.00 23.25 H new ATOM 0 HD3 LYS A 26 -7.793 30.814 14.690 1.00 23.25 H new ATOM 0 HE2 LYS A 26 -9.688 32.004 15.742 1.00 11.14 H new ATOM 0 HE3 LYS A 26 -10.789 30.737 15.236 1.00 11.14 H new ATOM 0 HZ1 LYS A 26 -10.124 30.454 17.533 1.00 42.14 H new ATOM 0 HZ2 LYS A 26 -9.552 29.156 16.599 1.00 42.14 H new ATOM 0 HZ3 LYS A 26 -8.486 30.383 17.090 1.00 42.14 H new ATOM 388 N LYS A 27 -10.787 27.919 10.545 1.00 32.32 N ATOM 389 CA LYS A 27 -10.540 26.482 10.508 1.00 12.15 C ATOM 390 C LYS A 27 -9.720 26.102 9.280 1.00 34.23 C ATOM 391 O LYS A 27 -10.190 26.220 8.148 1.00 52.41 O ATOM 392 CB LYS A 27 -11.865 25.716 10.506 1.00 12.20 C ATOM 393 CG LYS A 27 -11.764 24.323 11.105 1.00 10.42 C ATOM 394 CD LYS A 27 -12.897 23.429 10.631 1.00 35.42 C ATOM 395 CE LYS A 27 -13.587 22.738 11.797 1.00 32.44 C ATOM 396 NZ LYS A 27 -13.738 21.275 11.564 1.00 75.02 N ATOM 0 H LYS A 27 -11.645 28.211 10.078 1.00 32.32 H new ATOM 0 HA LYS A 27 -9.973 26.213 11.399 1.00 12.15 H new ATOM 0 HB2 LYS A 27 -12.607 26.289 11.063 1.00 12.20 H new ATOM 0 HB3 LYS A 27 -12.227 25.636 9.481 1.00 12.20 H new ATOM 0 HG2 LYS A 27 -10.808 23.877 10.831 1.00 10.42 H new ATOM 0 HG3 LYS A 27 -11.784 24.391 12.193 1.00 10.42 H new ATOM 0 HD2 LYS A 27 -13.624 24.024 10.077 1.00 35.42 H new ATOM 0 HD3 LYS A 27 -12.507 22.680 9.942 1.00 35.42 H new ATOM 0 HE2 LYS A 27 -13.013 22.903 12.709 1.00 32.44 H new ATOM 0 HE3 LYS A 27 -14.569 23.184 11.954 1.00 32.44 H new ATOM 0 HZ1 LYS A 27 -14.213 20.841 12.381 1.00 75.02 H new ATOM 0 HZ2 LYS A 27 -14.308 21.117 10.708 1.00 75.02 H new ATOM 0 HZ3 LYS A 27 -12.799 20.845 11.440 1.00 75.02 H new ATOM 410 N GLN A 28 -8.493 25.645 9.510 1.00 61.10 N ATOM 411 CA GLN A 28 -7.609 25.247 8.422 1.00 53.10 C ATOM 412 C GLN A 28 -7.840 23.790 8.037 1.00 55.15 C ATOM 413 O GLN A 28 -8.585 23.072 8.704 1.00 65.31 O ATOM 414 CB GLN A 28 -6.147 25.457 8.822 1.00 32.34 C ATOM 415 CG GLN A 28 -5.543 24.274 9.561 1.00 4.31 C ATOM 416 CD GLN A 28 -6.466 23.722 10.630 1.00 63.13 C ATOM 417 OE1 GLN A 28 -6.810 24.556 11.604 1.00 20.14 O flip ATOM 418 NE2 GLN A 28 -6.865 22.558 10.581 1.00 4.35 N flip ATOM 0 H GLN A 28 -8.089 25.541 10.441 1.00 61.10 H new ATOM 0 HA GLN A 28 -7.835 25.871 7.557 1.00 53.10 H new ATOM 0 HB2 GLN A 28 -5.558 25.654 7.926 1.00 32.34 H new ATOM 0 HB3 GLN A 28 -6.075 26.344 9.452 1.00 32.34 H new ATOM 0 HG2 GLN A 28 -5.308 23.485 8.846 1.00 4.31 H new ATOM 0 HG3 GLN A 28 -4.603 24.579 10.020 1.00 4.31 H new ATOM 0 HE21 GLN A 28 -6.575 21.951 9.814 1.00 4.35 H new ATOM 0 HE22 GLN A 28 -7.485 22.200 11.308 1.00 4.35 H new ATOM 427 N TYR A 29 -7.196 23.359 6.958 1.00 42.01 N ATOM 428 CA TYR A 29 -7.334 21.987 6.484 1.00 14.35 C ATOM 429 C TYR A 29 -6.473 21.035 7.309 1.00 53.42 C ATOM 430 O TYR A 29 -5.364 21.380 7.720 1.00 1.52 O ATOM 431 CB TYR A 29 -6.943 21.895 5.008 1.00 30.24 C ATOM 432 CG TYR A 29 -8.126 21.924 4.065 1.00 73.52 C ATOM 433 CD1 TYR A 29 -8.992 20.841 3.973 1.00 72.43 C ATOM 434 CD2 TYR A 29 -8.376 23.033 3.267 1.00 23.51 C ATOM 435 CE1 TYR A 29 -10.073 20.862 3.114 1.00 41.51 C ATOM 436 CE2 TYR A 29 -9.456 23.063 2.405 1.00 72.24 C ATOM 437 CZ TYR A 29 -10.302 21.976 2.333 1.00 13.31 C ATOM 438 OH TYR A 29 -11.377 22.002 1.475 1.00 35.11 O ATOM 0 H TYR A 29 -6.574 23.939 6.396 1.00 42.01 H new ATOM 0 HA TYR A 29 -8.378 21.694 6.597 1.00 14.35 H new ATOM 0 HB2 TYR A 29 -6.275 22.722 4.765 1.00 30.24 H new ATOM 0 HB3 TYR A 29 -6.382 20.974 4.846 1.00 30.24 H new ATOM 0 HD1 TYR A 29 -8.817 19.968 4.584 1.00 72.43 H new ATOM 0 HD2 TYR A 29 -7.716 23.886 3.321 1.00 23.51 H new ATOM 0 HE1 TYR A 29 -10.735 20.011 3.054 1.00 41.51 H new ATOM 0 HE2 TYR A 29 -9.637 23.933 1.791 1.00 72.24 H new ATOM 0 HH TYR A 29 -12.207 22.056 1.993 1.00 35.11 H new ATOM 448 N LYS A 30 -6.991 19.836 7.548 1.00 0.33 N ATOM 449 CA LYS A 30 -6.272 18.832 8.323 1.00 32.35 C ATOM 450 C LYS A 30 -6.476 17.440 7.731 1.00 71.14 C ATOM 451 O LYS A 30 -7.310 17.246 6.847 1.00 24.12 O ATOM 452 CB LYS A 30 -6.738 18.852 9.780 1.00 15.13 C ATOM 453 CG LYS A 30 -5.700 19.404 10.743 1.00 11.33 C ATOM 454 CD LYS A 30 -5.678 18.623 12.046 1.00 14.34 C ATOM 455 CE LYS A 30 -4.495 19.023 12.915 1.00 33.20 C ATOM 456 NZ LYS A 30 -3.428 17.985 12.910 1.00 55.23 N ATOM 0 H LYS A 30 -7.907 19.535 7.216 1.00 0.33 H new ATOM 0 HA LYS A 30 -5.209 19.072 8.285 1.00 32.35 H new ATOM 0 HB2 LYS A 30 -7.645 19.451 9.854 1.00 15.13 H new ATOM 0 HB3 LYS A 30 -7.000 17.838 10.083 1.00 15.13 H new ATOM 0 HG2 LYS A 30 -4.715 19.366 10.278 1.00 11.33 H new ATOM 0 HG3 LYS A 30 -5.915 20.452 10.950 1.00 11.33 H new ATOM 0 HD2 LYS A 30 -6.606 18.796 12.591 1.00 14.34 H new ATOM 0 HD3 LYS A 30 -5.629 17.556 11.831 1.00 14.34 H new ATOM 0 HE2 LYS A 30 -4.085 19.967 12.558 1.00 33.20 H new ATOM 0 HE3 LYS A 30 -4.835 19.190 13.937 1.00 33.20 H new ATOM 0 HZ1 LYS A 30 -2.640 18.295 13.513 1.00 55.23 H new ATOM 0 HZ2 LYS A 30 -3.812 17.090 13.275 1.00 55.23 H new ATOM 0 HZ3 LYS A 30 -3.085 17.844 11.938 1.00 55.23 H new ATOM 470 N LEU A 31 -5.710 16.475 8.227 1.00 73.52 N ATOM 471 CA LEU A 31 -5.807 15.100 7.749 1.00 24.31 C ATOM 472 C LEU A 31 -7.253 14.615 7.776 1.00 43.41 C ATOM 473 O LEU A 31 -7.683 13.859 6.905 1.00 34.11 O ATOM 474 CB LEU A 31 -4.933 14.179 8.603 1.00 2.01 C ATOM 475 CG LEU A 31 -3.426 14.274 8.365 1.00 34.45 C ATOM 476 CD1 LEU A 31 -2.666 14.088 9.669 1.00 21.40 C ATOM 477 CD2 LEU A 31 -2.983 13.244 7.335 1.00 72.32 C ATOM 0 H LEU A 31 -5.015 16.619 8.960 1.00 73.52 H new ATOM 0 HA LEU A 31 -5.453 15.074 6.718 1.00 24.31 H new ATOM 0 HB2 LEU A 31 -5.129 14.396 9.653 1.00 2.01 H new ATOM 0 HB3 LEU A 31 -5.244 13.149 8.427 1.00 2.01 H new ATOM 0 HG LEU A 31 -3.201 15.267 7.977 1.00 34.45 H new ATOM 0 HD11 LEU A 31 -1.595 14.159 9.479 1.00 21.40 H new ATOM 0 HD12 LEU A 31 -2.961 14.863 10.376 1.00 21.40 H new ATOM 0 HD13 LEU A 31 -2.896 13.108 10.088 1.00 21.40 H new ATOM 0 HD21 LEU A 31 -1.907 13.326 7.178 1.00 72.32 H new ATOM 0 HD22 LEU A 31 -3.222 12.243 7.695 1.00 72.32 H new ATOM 0 HD23 LEU A 31 -3.502 13.424 6.394 1.00 72.32 H new ATOM 489 N LYS A 32 -8.002 15.058 8.781 1.00 54.24 N ATOM 490 CA LYS A 32 -9.400 14.673 8.921 1.00 4.12 C ATOM 491 C LYS A 32 -10.146 14.841 7.600 1.00 41.41 C ATOM 492 O LYS A 32 -10.810 13.918 7.130 1.00 23.13 O ATOM 493 CB LYS A 32 -10.075 15.512 10.009 1.00 63.14 C ATOM 494 CG LYS A 32 -9.439 15.355 11.380 1.00 14.34 C ATOM 495 CD LYS A 32 -9.886 14.072 12.059 1.00 64.23 C ATOM 496 CE LYS A 32 -8.933 12.924 11.766 1.00 41.53 C ATOM 497 NZ LYS A 32 -8.273 12.422 13.003 1.00 15.14 N ATOM 0 H LYS A 32 -7.663 15.685 9.511 1.00 54.24 H new ATOM 0 HA LYS A 32 -9.434 13.622 9.207 1.00 4.12 H new ATOM 0 HB2 LYS A 32 -10.041 16.562 9.720 1.00 63.14 H new ATOM 0 HB3 LYS A 32 -11.127 15.233 10.071 1.00 63.14 H new ATOM 0 HG2 LYS A 32 -8.354 15.356 11.281 1.00 14.34 H new ATOM 0 HG3 LYS A 32 -9.703 16.209 12.004 1.00 14.34 H new ATOM 0 HD2 LYS A 32 -9.945 14.231 13.136 1.00 64.23 H new ATOM 0 HD3 LYS A 32 -10.888 13.810 11.720 1.00 64.23 H new ATOM 0 HE2 LYS A 32 -9.480 12.110 11.290 1.00 41.53 H new ATOM 0 HE3 LYS A 32 -8.173 13.254 11.057 1.00 41.53 H new ATOM 0 HZ1 LYS A 32 -7.631 11.640 12.761 1.00 15.14 H new ATOM 0 HZ2 LYS A 32 -7.730 13.192 13.444 1.00 15.14 H new ATOM 0 HZ3 LYS A 32 -8.996 12.083 13.669 1.00 15.14 H new ATOM 511 N HIS A 33 -10.029 16.025 7.006 1.00 63.03 N ATOM 512 CA HIS A 33 -10.690 16.314 5.738 1.00 74.51 C ATOM 513 C HIS A 33 -10.218 15.352 4.650 1.00 40.34 C ATOM 514 O HIS A 33 -11.031 15.040 3.780 1.00 30.31 O ATOM 515 CB HIS A 33 -10.418 17.757 5.313 1.00 72.32 C ATOM 516 CG HIS A 33 -10.713 18.762 6.383 1.00 65.01 C ATOM 517 ND1 HIS A 33 -9.790 19.686 6.824 1.00 30.12 N ATOM 518 CD2 HIS A 33 -11.839 18.985 7.102 1.00 75.22 C ATOM 519 CE1 HIS A 33 -10.334 20.433 7.767 1.00 43.14 C ATOM 520 NE2 HIS A 33 -11.578 20.029 7.954 1.00 72.51 N ATOM 0 H HIS A 33 -9.483 16.800 7.383 1.00 63.03 H new ATOM 0 HA HIS A 33 -11.763 16.182 5.876 1.00 74.51 H new ATOM 0 HB2 HIS A 33 -9.373 17.849 5.018 1.00 72.32 H new ATOM 0 HB3 HIS A 33 -11.019 17.988 4.434 1.00 72.32 H new ATOM 0 HD2 HIS A 33 -12.769 18.442 7.020 1.00 75.22 H new ATOM 0 HE1 HIS A 33 -9.845 21.238 8.296 1.00 43.14 H new ATOM 0 HE2 HIS A 33 -12.237 20.428 8.623 1.00 72.51 H new ATOM 528 N ILE A 34 -8.971 14.894 4.673 1.00 62.01 N ATOM 529 CA ILE A 34 -8.476 13.975 3.656 1.00 64.15 C ATOM 530 C ILE A 34 -9.037 12.572 3.865 1.00 11.34 C ATOM 531 O ILE A 34 -9.849 12.092 3.073 1.00 43.21 O ATOM 532 CB ILE A 34 -6.938 13.907 3.659 1.00 72.14 C ATOM 533 CG1 ILE A 34 -6.343 15.315 3.602 1.00 51.12 C ATOM 534 CG2 ILE A 34 -6.442 13.069 2.490 1.00 42.21 C ATOM 535 CD1 ILE A 34 -4.833 15.337 3.688 1.00 4.33 C ATOM 0 H ILE A 34 -8.285 15.144 5.385 1.00 62.01 H new ATOM 0 HA ILE A 34 -8.812 14.359 2.693 1.00 64.15 H new ATOM 0 HB ILE A 34 -6.612 13.433 4.585 1.00 72.14 H new ATOM 0 HG12 ILE A 34 -6.653 15.794 2.673 1.00 51.12 H new ATOM 0 HG13 ILE A 34 -6.754 15.908 4.419 1.00 51.12 H new ATOM 0 HG21 ILE A 34 -5.353 13.031 2.506 1.00 42.21 H new ATOM 0 HG22 ILE A 34 -6.842 12.058 2.571 1.00 42.21 H new ATOM 0 HG23 ILE A 34 -6.775 13.517 1.554 1.00 42.21 H new ATOM 0 HD11 ILE A 34 -4.481 16.368 3.641 1.00 4.33 H new ATOM 0 HD12 ILE A 34 -4.516 14.887 4.629 1.00 4.33 H new ATOM 0 HD13 ILE A 34 -4.413 14.772 2.856 1.00 4.33 H new ATOM 547 N VAL A 35 -8.598 11.918 4.935 1.00 52.13 N ATOM 548 CA VAL A 35 -9.057 10.571 5.250 1.00 61.55 C ATOM 549 C VAL A 35 -10.575 10.468 5.144 1.00 2.54 C ATOM 550 O VAL A 35 -11.111 9.433 4.746 1.00 41.51 O ATOM 551 CB VAL A 35 -8.624 10.146 6.666 1.00 21.31 C ATOM 552 CG1 VAL A 35 -9.169 8.766 7.000 1.00 31.04 C ATOM 553 CG2 VAL A 35 -7.108 10.173 6.789 1.00 10.41 C ATOM 0 H VAL A 35 -7.924 12.300 5.599 1.00 52.13 H new ATOM 0 HA VAL A 35 -8.598 9.903 4.521 1.00 61.55 H new ATOM 0 HB VAL A 35 -9.037 10.856 7.382 1.00 21.31 H new ATOM 0 HG11 VAL A 35 -8.853 8.483 8.004 1.00 31.04 H new ATOM 0 HG12 VAL A 35 -10.258 8.784 6.954 1.00 31.04 H new ATOM 0 HG13 VAL A 35 -8.788 8.040 6.281 1.00 31.04 H new ATOM 0 HG21 VAL A 35 -6.819 9.870 7.795 1.00 10.41 H new ATOM 0 HG22 VAL A 35 -6.672 9.486 6.064 1.00 10.41 H new ATOM 0 HG23 VAL A 35 -6.745 11.183 6.596 1.00 10.41 H new ATOM 563 N TRP A 36 -11.262 11.548 5.499 1.00 14.23 N ATOM 564 CA TRP A 36 -12.718 11.580 5.443 1.00 0.35 C ATOM 565 C TRP A 36 -13.217 11.223 4.046 1.00 73.32 C ATOM 566 O TRP A 36 -13.981 10.274 3.876 1.00 3.14 O ATOM 567 CB TRP A 36 -13.234 12.964 5.843 1.00 2.04 C ATOM 568 CG TRP A 36 -14.713 13.122 5.658 1.00 41.31 C ATOM 569 CD1 TRP A 36 -15.688 12.830 6.568 1.00 62.34 C ATOM 570 CD2 TRP A 36 -15.384 13.609 4.491 1.00 44.43 C ATOM 571 NE1 TRP A 36 -16.925 13.105 6.037 1.00 5.21 N ATOM 572 CE2 TRP A 36 -16.765 13.586 4.765 1.00 24.52 C ATOM 573 CE3 TRP A 36 -14.952 14.065 3.243 1.00 20.54 C ATOM 574 CZ2 TRP A 36 -17.715 13.998 3.833 1.00 43.45 C ATOM 575 CZ3 TRP A 36 -15.896 14.474 2.320 1.00 44.33 C ATOM 576 CH2 TRP A 36 -17.264 14.440 2.620 1.00 30.31 C ATOM 0 H TRP A 36 -10.834 12.413 5.829 1.00 14.23 H new ATOM 0 HA TRP A 36 -13.100 10.840 6.146 1.00 0.35 H new ATOM 0 HB2 TRP A 36 -12.984 13.149 6.888 1.00 2.04 H new ATOM 0 HB3 TRP A 36 -12.718 13.721 5.252 1.00 2.04 H new ATOM 0 HD1 TRP A 36 -15.513 12.440 7.560 1.00 62.34 H new ATOM 0 HE1 TRP A 36 -17.817 12.972 6.513 1.00 5.21 H new ATOM 0 HE3 TRP A 36 -13.899 14.097 3.004 1.00 20.54 H new ATOM 0 HZ2 TRP A 36 -18.770 13.969 4.060 1.00 43.45 H new ATOM 0 HZ3 TRP A 36 -15.574 14.826 1.351 1.00 44.33 H new ATOM 0 HH2 TRP A 36 -17.977 14.769 1.878 1.00 30.31 H new ATOM 587 N ALA A 37 -12.779 11.988 3.053 1.00 5.35 N ATOM 588 CA ALA A 37 -13.180 11.750 1.672 1.00 33.12 C ATOM 589 C ALA A 37 -12.793 10.344 1.222 1.00 44.33 C ATOM 590 O ALA A 37 -13.523 9.701 0.468 1.00 13.01 O ATOM 591 CB ALA A 37 -12.554 12.789 0.753 1.00 43.32 C ATOM 0 H ALA A 37 -12.146 12.778 3.179 1.00 5.35 H new ATOM 0 HA ALA A 37 -14.265 11.837 1.616 1.00 33.12 H new ATOM 0 HB1 ALA A 37 -12.862 12.599 -0.275 1.00 43.32 H new ATOM 0 HB2 ALA A 37 -12.883 13.784 1.052 1.00 43.32 H new ATOM 0 HB3 ALA A 37 -11.468 12.729 0.823 1.00 43.32 H new ATOM 597 N SER A 38 -11.642 9.874 1.691 1.00 72.03 N ATOM 598 CA SER A 38 -11.157 8.546 1.335 1.00 35.23 C ATOM 599 C SER A 38 -12.126 7.467 1.810 1.00 73.05 C ATOM 600 O SER A 38 -12.186 6.377 1.242 1.00 15.13 O ATOM 601 CB SER A 38 -9.772 8.306 1.940 1.00 12.32 C ATOM 602 OG SER A 38 -8.789 9.095 1.292 1.00 0.12 O ATOM 0 H SER A 38 -11.028 10.393 2.318 1.00 72.03 H new ATOM 0 HA SER A 38 -11.085 8.492 0.249 1.00 35.23 H new ATOM 0 HB2 SER A 38 -9.790 8.543 3.004 1.00 12.32 H new ATOM 0 HB3 SER A 38 -9.512 7.251 1.853 1.00 12.32 H new ATOM 0 HG SER A 38 -7.913 8.925 1.698 1.00 0.12 H new ATOM 608 N ARG A 39 -12.882 7.781 2.858 1.00 33.44 N ATOM 609 CA ARG A 39 -13.847 6.838 3.411 1.00 51.31 C ATOM 610 C ARG A 39 -15.168 6.903 2.650 1.00 51.11 C ATOM 611 O ARG A 39 -15.932 5.939 2.631 1.00 73.11 O ATOM 612 CB ARG A 39 -14.085 7.132 4.894 1.00 45.31 C ATOM 613 CG ARG A 39 -13.622 6.017 5.817 1.00 63.12 C ATOM 614 CD ARG A 39 -12.961 6.571 7.071 1.00 21.52 C ATOM 615 NE ARG A 39 -12.873 5.568 8.129 1.00 54.24 N ATOM 616 CZ ARG A 39 -12.424 5.830 9.353 1.00 1.45 C ATOM 617 NH1 ARG A 39 -12.026 7.055 9.668 1.00 60.41 N ATOM 618 NH2 ARG A 39 -12.374 4.866 10.262 1.00 33.21 N ATOM 0 H ARG A 39 -12.845 8.679 3.340 1.00 33.44 H new ATOM 0 HA ARG A 39 -13.437 5.833 3.307 1.00 51.31 H new ATOM 0 HB2 ARG A 39 -13.566 8.053 5.161 1.00 45.31 H new ATOM 0 HB3 ARG A 39 -15.149 7.307 5.055 1.00 45.31 H new ATOM 0 HG2 ARG A 39 -14.474 5.397 6.097 1.00 63.12 H new ATOM 0 HG3 ARG A 39 -12.919 5.373 5.288 1.00 63.12 H new ATOM 0 HD2 ARG A 39 -11.961 6.929 6.826 1.00 21.52 H new ATOM 0 HD3 ARG A 39 -13.528 7.430 7.431 1.00 21.52 H new ATOM 0 HE ARG A 39 -13.172 4.616 7.918 1.00 54.24 H new ATOM 0 HH11 ARG A 39 -12.064 7.799 8.971 1.00 60.41 H new ATOM 0 HH12 ARG A 39 -11.682 7.254 10.607 1.00 60.41 H new ATOM 0 HH21 ARG A 39 -12.680 3.923 10.023 1.00 33.21 H new ATOM 0 HH22 ARG A 39 -12.029 5.068 11.201 1.00 33.21 H new ATOM 632 N GLU A 40 -15.429 8.047 2.025 1.00 44.10 N ATOM 633 CA GLU A 40 -16.659 8.237 1.264 1.00 74.11 C ATOM 634 C GLU A 40 -16.524 7.659 -0.141 1.00 15.21 C ATOM 635 O GLU A 40 -17.449 7.033 -0.659 1.00 21.44 O ATOM 636 CB GLU A 40 -17.011 9.724 1.184 1.00 60.33 C ATOM 637 CG GLU A 40 -18.474 9.986 0.872 1.00 41.52 C ATOM 638 CD GLU A 40 -19.226 10.575 2.050 1.00 44.31 C ATOM 639 OE1 GLU A 40 -18.783 11.618 2.576 1.00 71.23 O ATOM 640 OE2 GLU A 40 -20.257 9.994 2.445 1.00 65.30 O ATOM 0 H GLU A 40 -14.806 8.855 2.030 1.00 44.10 H new ATOM 0 HA GLU A 40 -17.461 7.709 1.780 1.00 74.11 H new ATOM 0 HB2 GLU A 40 -16.759 10.200 2.132 1.00 60.33 H new ATOM 0 HB3 GLU A 40 -16.395 10.194 0.418 1.00 60.33 H new ATOM 0 HG2 GLU A 40 -18.544 10.667 0.024 1.00 41.52 H new ATOM 0 HG3 GLU A 40 -18.950 9.053 0.572 1.00 41.52 H new ATOM 647 N LEU A 41 -15.365 7.875 -0.754 1.00 32.32 N ATOM 648 CA LEU A 41 -15.106 7.377 -2.100 1.00 21.10 C ATOM 649 C LEU A 41 -15.074 5.852 -2.120 1.00 30.22 C ATOM 650 O LEU A 41 -15.583 5.223 -3.047 1.00 1.13 O ATOM 651 CB LEU A 41 -13.782 7.933 -2.627 1.00 64.02 C ATOM 652 CG LEU A 41 -13.688 9.455 -2.731 1.00 11.32 C ATOM 653 CD1 LEU A 41 -12.235 9.895 -2.826 1.00 23.43 C ATOM 654 CD2 LEU A 41 -14.479 9.958 -3.930 1.00 2.20 C ATOM 0 H LEU A 41 -14.590 8.392 -0.340 1.00 32.32 H new ATOM 0 HA LEU A 41 -15.916 7.714 -2.746 1.00 21.10 H new ATOM 0 HB2 LEU A 41 -12.980 7.583 -1.978 1.00 64.02 H new ATOM 0 HB3 LEU A 41 -13.600 7.509 -3.615 1.00 64.02 H new ATOM 0 HG LEU A 41 -14.119 9.889 -1.829 1.00 11.32 H new ATOM 0 HD11 LEU A 41 -12.188 10.982 -2.899 1.00 23.43 H new ATOM 0 HD12 LEU A 41 -11.697 9.568 -1.936 1.00 23.43 H new ATOM 0 HD13 LEU A 41 -11.778 9.452 -3.710 1.00 23.43 H new ATOM 0 HD21 LEU A 41 -14.401 11.044 -3.988 1.00 2.20 H new ATOM 0 HD22 LEU A 41 -14.078 9.516 -4.842 1.00 2.20 H new ATOM 0 HD23 LEU A 41 -15.526 9.675 -3.820 1.00 2.20 H new ATOM 666 N GLU A 42 -14.474 5.264 -1.089 1.00 13.13 N ATOM 667 CA GLU A 42 -14.377 3.813 -0.988 1.00 20.42 C ATOM 668 C GLU A 42 -15.751 3.190 -0.757 1.00 12.30 C ATOM 669 O GLU A 42 -15.941 1.990 -0.953 1.00 61.13 O ATOM 670 CB GLU A 42 -13.429 3.421 0.147 1.00 23.41 C ATOM 671 CG GLU A 42 -13.171 1.926 0.236 1.00 62.10 C ATOM 672 CD GLU A 42 -12.789 1.320 -1.101 1.00 64.40 C ATOM 673 OE1 GLU A 42 -13.689 1.143 -1.950 1.00 21.33 O ATOM 674 OE2 GLU A 42 -11.593 1.022 -1.298 1.00 25.31 O ATOM 0 H GLU A 42 -14.048 5.770 -0.313 1.00 13.13 H new ATOM 0 HA GLU A 42 -13.980 3.435 -1.930 1.00 20.42 H new ATOM 0 HB2 GLU A 42 -12.479 3.938 0.010 1.00 23.41 H new ATOM 0 HB3 GLU A 42 -13.846 3.766 1.093 1.00 23.41 H new ATOM 0 HG2 GLU A 42 -12.374 1.741 0.956 1.00 62.10 H new ATOM 0 HG3 GLU A 42 -14.064 1.429 0.614 1.00 62.10 H new ATOM 681 N ARG A 43 -16.705 4.016 -0.340 1.00 41.23 N ATOM 682 CA ARG A 43 -18.060 3.547 -0.079 1.00 4.22 C ATOM 683 C ARG A 43 -18.933 3.691 -1.323 1.00 3.31 C ATOM 684 O ARG A 43 -19.871 2.921 -1.528 1.00 4.24 O ATOM 685 CB ARG A 43 -18.678 4.327 1.083 1.00 61.32 C ATOM 686 CG ARG A 43 -20.117 3.937 1.382 1.00 1.04 C ATOM 687 CD ARG A 43 -20.463 4.161 2.846 1.00 34.41 C ATOM 688 NE ARG A 43 -20.088 3.020 3.677 1.00 51.51 N ATOM 689 CZ ARG A 43 -20.040 3.062 5.004 1.00 44.55 C ATOM 690 NH1 ARG A 43 -20.343 4.182 5.646 1.00 31.12 N ATOM 691 NH2 ARG A 43 -19.690 1.983 5.691 1.00 24.20 N ATOM 0 H ARG A 43 -16.564 5.013 -0.176 1.00 41.23 H new ATOM 0 HA ARG A 43 -18.007 2.492 0.188 1.00 4.22 H new ATOM 0 HB2 ARG A 43 -18.075 4.169 1.977 1.00 61.32 H new ATOM 0 HB3 ARG A 43 -18.639 5.392 0.856 1.00 61.32 H new ATOM 0 HG2 ARG A 43 -20.791 4.520 0.755 1.00 1.04 H new ATOM 0 HG3 ARG A 43 -20.271 2.889 1.127 1.00 1.04 H new ATOM 0 HD2 ARG A 43 -19.954 5.055 3.206 1.00 34.41 H new ATOM 0 HD3 ARG A 43 -21.533 4.343 2.942 1.00 34.41 H new ATOM 0 HE ARG A 43 -19.850 2.143 3.213 1.00 51.51 H new ATOM 0 HH11 ARG A 43 -20.614 5.014 5.121 1.00 31.12 H new ATOM 0 HH12 ARG A 43 -20.305 4.212 6.665 1.00 31.12 H new ATOM 0 HH21 ARG A 43 -19.457 1.119 5.201 1.00 24.20 H new ATOM 0 HH22 ARG A 43 -19.654 2.017 6.710 1.00 24.20 H new ATOM 705 N PHE A 44 -18.617 4.684 -2.149 1.00 65.11 N ATOM 706 CA PHE A 44 -19.374 4.930 -3.372 1.00 43.00 C ATOM 707 C PHE A 44 -19.010 3.914 -4.450 1.00 3.01 C ATOM 708 O PHE A 44 -19.858 3.150 -4.910 1.00 71.21 O ATOM 709 CB PHE A 44 -19.111 6.349 -3.882 1.00 30.41 C ATOM 710 CG PHE A 44 -20.240 7.301 -3.612 1.00 43.14 C ATOM 711 CD1 PHE A 44 -20.848 7.342 -2.367 1.00 22.43 C ATOM 712 CD2 PHE A 44 -20.693 8.158 -4.602 1.00 23.22 C ATOM 713 CE1 PHE A 44 -21.889 8.216 -2.117 1.00 14.12 C ATOM 714 CE2 PHE A 44 -21.732 9.036 -4.358 1.00 51.05 C ATOM 715 CZ PHE A 44 -22.330 9.066 -3.113 1.00 62.21 C ATOM 0 H PHE A 44 -17.843 5.330 -1.994 1.00 65.11 H new ATOM 0 HA PHE A 44 -20.434 4.825 -3.142 1.00 43.00 H new ATOM 0 HB2 PHE A 44 -18.204 6.732 -3.415 1.00 30.41 H new ATOM 0 HB3 PHE A 44 -18.926 6.312 -4.956 1.00 30.41 H new ATOM 0 HD1 PHE A 44 -20.504 6.683 -1.583 1.00 22.43 H new ATOM 0 HD2 PHE A 44 -20.228 8.140 -5.577 1.00 23.22 H new ATOM 0 HE1 PHE A 44 -22.357 8.235 -1.144 1.00 14.12 H new ATOM 0 HE2 PHE A 44 -22.076 9.698 -5.139 1.00 51.05 H new ATOM 0 HZ PHE A 44 -23.141 9.753 -2.919 1.00 62.21 H new ATOM 725 N ALA A 45 -17.742 3.913 -4.849 1.00 23.14 N ATOM 726 CA ALA A 45 -17.265 2.990 -5.872 1.00 14.45 C ATOM 727 C ALA A 45 -15.891 3.406 -6.388 1.00 33.52 C ATOM 728 O ALA A 45 -15.443 2.939 -7.435 1.00 11.12 O ATOM 729 CB ALA A 45 -18.261 2.914 -7.021 1.00 15.30 C ATOM 0 H ALA A 45 -17.027 4.540 -4.480 1.00 23.14 H new ATOM 0 HA ALA A 45 -17.172 2.002 -5.420 1.00 14.45 H new ATOM 0 HB1 ALA A 45 -17.892 2.221 -7.777 1.00 15.30 H new ATOM 0 HB2 ALA A 45 -19.223 2.563 -6.646 1.00 15.30 H new ATOM 0 HB3 ALA A 45 -18.383 3.903 -7.463 1.00 15.30 H new ATOM 735 N VAL A 46 -15.226 4.284 -5.645 1.00 52.33 N ATOM 736 CA VAL A 46 -13.903 4.762 -6.026 1.00 34.03 C ATOM 737 C VAL A 46 -12.881 4.482 -4.930 1.00 34.31 C ATOM 738 O VAL A 46 -13.190 4.566 -3.743 1.00 41.40 O ATOM 739 CB VAL A 46 -13.916 6.272 -6.327 1.00 41.22 C ATOM 740 CG1 VAL A 46 -12.527 6.751 -6.720 1.00 0.22 C ATOM 741 CG2 VAL A 46 -14.927 6.589 -7.419 1.00 61.11 C ATOM 0 H VAL A 46 -15.582 4.679 -4.775 1.00 52.33 H new ATOM 0 HA VAL A 46 -13.620 4.222 -6.930 1.00 34.03 H new ATOM 0 HB VAL A 46 -14.214 6.802 -5.422 1.00 41.22 H new ATOM 0 HG11 VAL A 46 -12.556 7.820 -6.929 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -11.831 6.560 -5.903 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -12.196 6.216 -7.610 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -14.923 7.661 -7.619 1.00 61.11 H new ATOM 0 HG22 VAL A 46 -14.662 6.049 -8.328 1.00 61.11 H new ATOM 0 HG23 VAL A 46 -15.922 6.285 -7.093 1.00 61.11 H new ATOM 751 N ASN A 47 -11.660 4.148 -5.338 1.00 11.51 N ATOM 752 CA ASN A 47 -10.591 3.856 -4.390 1.00 40.12 C ATOM 753 C ASN A 47 -9.979 5.143 -3.846 1.00 54.53 C ATOM 754 O ASN A 47 -9.816 6.133 -4.560 1.00 71.23 O ATOM 755 CB ASN A 47 -9.508 3.006 -5.057 1.00 31.30 C ATOM 756 CG ASN A 47 -9.668 1.527 -4.759 1.00 44.40 C ATOM 757 OD1 ASN A 47 -9.490 1.089 -3.622 1.00 34.12 O ATOM 758 ND2 ASN A 47 -10.007 0.750 -5.781 1.00 51.12 N ATOM 0 H ASN A 47 -11.387 4.073 -6.318 1.00 11.51 H new ATOM 0 HA ASN A 47 -11.020 3.299 -3.557 1.00 40.12 H new ATOM 0 HB2 ASN A 47 -9.540 3.162 -6.135 1.00 31.30 H new ATOM 0 HB3 ASN A 47 -8.528 3.339 -4.716 1.00 31.30 H new ATOM 0 HD21 ASN A 47 -10.130 -0.253 -5.640 1.00 51.12 H new ATOM 0 HD22 ASN A 47 -10.144 1.156 -6.707 1.00 51.12 H new ATOM 765 N PRO A 48 -9.630 5.131 -2.550 1.00 5.01 N ATOM 766 CA PRO A 48 -9.030 6.289 -1.882 1.00 52.31 C ATOM 767 C PRO A 48 -7.609 6.564 -2.362 1.00 24.51 C ATOM 768 O PRO A 48 -7.021 7.594 -2.036 1.00 63.21 O ATOM 769 CB PRO A 48 -9.027 5.883 -0.406 1.00 55.34 C ATOM 770 CG PRO A 48 -9.014 4.393 -0.422 1.00 53.51 C ATOM 771 CD PRO A 48 -9.796 3.987 -1.639 1.00 24.35 C ATOM 0 HA PRO A 48 -9.580 7.208 -2.085 1.00 52.31 H new ATOM 0 HB2 PRO A 48 -8.154 6.281 0.112 1.00 55.34 H new ATOM 0 HB3 PRO A 48 -9.907 6.266 0.111 1.00 55.34 H new ATOM 0 HG2 PRO A 48 -7.994 4.012 -0.468 1.00 53.51 H new ATOM 0 HG3 PRO A 48 -9.465 3.989 0.484 1.00 53.51 H new ATOM 0 HD2 PRO A 48 -9.409 3.066 -2.076 1.00 24.35 H new ATOM 0 HD3 PRO A 48 -10.845 3.811 -1.402 1.00 24.35 H new ATOM 779 N GLY A 49 -7.062 5.634 -3.139 1.00 23.33 N ATOM 780 CA GLY A 49 -5.714 5.794 -3.653 1.00 51.31 C ATOM 781 C GLY A 49 -5.630 6.848 -4.739 1.00 10.20 C ATOM 782 O GLY A 49 -4.556 7.387 -5.009 1.00 40.33 O ATOM 0 H GLY A 49 -7.529 4.772 -3.422 1.00 23.33 H new ATOM 0 HA2 GLY A 49 -5.046 6.065 -2.835 1.00 51.31 H new ATOM 0 HA3 GLY A 49 -5.363 4.841 -4.048 1.00 51.31 H new ATOM 786 N LEU A 50 -6.763 7.141 -5.366 1.00 10.43 N ATOM 787 CA LEU A 50 -6.813 8.137 -6.432 1.00 23.31 C ATOM 788 C LEU A 50 -6.564 9.537 -5.881 1.00 71.22 C ATOM 789 O LEU A 50 -6.352 10.484 -6.639 1.00 52.30 O ATOM 790 CB LEU A 50 -8.169 8.087 -7.139 1.00 14.11 C ATOM 791 CG LEU A 50 -8.491 6.791 -7.884 1.00 13.13 C ATOM 792 CD1 LEU A 50 -9.883 6.857 -8.493 1.00 42.13 C ATOM 793 CD2 LEU A 50 -7.449 6.522 -8.960 1.00 35.02 C ATOM 0 H LEU A 50 -7.660 6.704 -5.155 1.00 10.43 H new ATOM 0 HA LEU A 50 -6.027 7.905 -7.151 1.00 23.31 H new ATOM 0 HB2 LEU A 50 -8.949 8.260 -6.398 1.00 14.11 H new ATOM 0 HB3 LEU A 50 -8.216 8.912 -7.850 1.00 14.11 H new ATOM 0 HG LEU A 50 -8.468 5.968 -7.169 1.00 13.13 H new ATOM 0 HD11 LEU A 50 -10.094 5.926 -9.019 1.00 42.13 H new ATOM 0 HD12 LEU A 50 -10.619 7.003 -7.703 1.00 42.13 H new ATOM 0 HD13 LEU A 50 -9.934 7.690 -9.194 1.00 42.13 H new ATOM 0 HD21 LEU A 50 -7.694 5.596 -9.480 1.00 35.02 H new ATOM 0 HD22 LEU A 50 -7.440 7.347 -9.672 1.00 35.02 H new ATOM 0 HD23 LEU A 50 -6.465 6.430 -8.499 1.00 35.02 H new ATOM 805 N LEU A 51 -6.590 9.660 -4.559 1.00 34.11 N ATOM 806 CA LEU A 51 -6.364 10.944 -3.906 1.00 44.52 C ATOM 807 C LEU A 51 -4.900 11.104 -3.509 1.00 70.21 C ATOM 808 O LEU A 51 -4.425 12.218 -3.290 1.00 31.10 O ATOM 809 CB LEU A 51 -7.256 11.074 -2.670 1.00 72.40 C ATOM 810 CG LEU A 51 -8.748 10.821 -2.890 1.00 70.43 C ATOM 811 CD1 LEU A 51 -9.520 11.021 -1.595 1.00 10.20 C ATOM 812 CD2 LEU A 51 -9.289 11.733 -3.981 1.00 54.30 C ATOM 0 H LEU A 51 -6.765 8.886 -3.918 1.00 34.11 H new ATOM 0 HA LEU A 51 -6.617 11.733 -4.614 1.00 44.52 H new ATOM 0 HB2 LEU A 51 -6.897 10.377 -1.913 1.00 72.40 H new ATOM 0 HB3 LEU A 51 -7.134 12.078 -2.263 1.00 72.40 H new ATOM 0 HG LEU A 51 -8.878 9.787 -3.211 1.00 70.43 H new ATOM 0 HD11 LEU A 51 -10.580 10.837 -1.771 1.00 10.20 H new ATOM 0 HD12 LEU A 51 -9.151 10.326 -0.841 1.00 10.20 H new ATOM 0 HD13 LEU A 51 -9.383 12.044 -1.244 1.00 10.20 H new ATOM 0 HD21 LEU A 51 -10.352 11.539 -4.124 1.00 54.30 H new ATOM 0 HD22 LEU A 51 -9.146 12.774 -3.689 1.00 54.30 H new ATOM 0 HD23 LEU A 51 -8.757 11.541 -4.913 1.00 54.30 H new ATOM 824 N GLU A 52 -4.190 9.984 -3.420 1.00 22.30 N ATOM 825 CA GLU A 52 -2.779 10.001 -3.051 1.00 25.43 C ATOM 826 C GLU A 52 -1.929 10.571 -4.181 1.00 35.30 C ATOM 827 O GLU A 52 -0.850 11.118 -3.948 1.00 61.05 O ATOM 828 CB GLU A 52 -2.304 8.588 -2.702 1.00 63.05 C ATOM 829 CG GLU A 52 -0.839 8.521 -2.306 1.00 33.30 C ATOM 830 CD GLU A 52 -0.466 7.193 -1.675 1.00 33.10 C ATOM 831 OE1 GLU A 52 -1.366 6.522 -1.129 1.00 61.32 O ATOM 832 OE2 GLU A 52 0.727 6.826 -1.727 1.00 4.23 O ATOM 0 H GLU A 52 -4.568 9.054 -3.598 1.00 22.30 H new ATOM 0 HA GLU A 52 -2.665 10.641 -2.176 1.00 25.43 H new ATOM 0 HB2 GLU A 52 -2.911 8.201 -1.884 1.00 63.05 H new ATOM 0 HB3 GLU A 52 -2.471 7.935 -3.559 1.00 63.05 H new ATOM 0 HG2 GLU A 52 -0.220 8.687 -3.188 1.00 33.30 H new ATOM 0 HG3 GLU A 52 -0.618 9.327 -1.606 1.00 33.30 H new ATOM 839 N THR A 53 -2.420 10.438 -5.410 1.00 55.51 N ATOM 840 CA THR A 53 -1.705 10.938 -6.577 1.00 71.22 C ATOM 841 C THR A 53 -2.563 11.918 -7.370 1.00 22.41 C ATOM 842 O THR A 53 -3.739 11.660 -7.626 1.00 25.42 O ATOM 843 CB THR A 53 -1.270 9.787 -7.505 1.00 52.43 C ATOM 844 OG1 THR A 53 -2.258 9.576 -8.519 1.00 13.41 O ATOM 845 CG2 THR A 53 -1.064 8.503 -6.714 1.00 2.32 C ATOM 0 H THR A 53 -3.310 9.988 -5.622 1.00 55.51 H new ATOM 0 HA THR A 53 -0.818 11.453 -6.207 1.00 71.22 H new ATOM 0 HB THR A 53 -0.324 10.063 -7.972 1.00 52.43 H new ATOM 0 HG1 THR A 53 -1.974 8.844 -9.106 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.757 7.705 -7.390 1.00 2.32 H new ATOM 0 HG22 THR A 53 -0.290 8.659 -5.962 1.00 2.32 H new ATOM 0 HG23 THR A 53 -1.996 8.225 -6.223 1.00 2.32 H new ATOM 853 N SER A 54 -1.967 13.041 -7.756 1.00 45.11 N ATOM 854 CA SER A 54 -2.679 14.061 -8.517 1.00 63.13 C ATOM 855 C SER A 54 -3.424 13.439 -9.694 1.00 44.40 C ATOM 856 O SER A 54 -4.565 13.803 -9.981 1.00 33.43 O ATOM 857 CB SER A 54 -1.702 15.125 -9.022 1.00 30.14 C ATOM 858 OG SER A 54 -2.265 16.421 -8.925 1.00 42.41 O ATOM 0 H SER A 54 -0.993 13.268 -7.555 1.00 45.11 H new ATOM 0 HA SER A 54 -3.407 14.531 -7.856 1.00 63.13 H new ATOM 0 HB2 SER A 54 -0.780 15.081 -8.442 1.00 30.14 H new ATOM 0 HB3 SER A 54 -1.437 14.917 -10.059 1.00 30.14 H new ATOM 0 HG SER A 54 -1.621 17.083 -9.252 1.00 42.41 H new ATOM 864 N GLU A 55 -2.771 12.499 -10.370 1.00 42.40 N ATOM 865 CA GLU A 55 -3.371 11.827 -11.517 1.00 44.21 C ATOM 866 C GLU A 55 -4.722 11.221 -11.146 1.00 73.55 C ATOM 867 O GLU A 55 -5.687 11.317 -11.902 1.00 45.31 O ATOM 868 CB GLU A 55 -2.437 10.736 -12.044 1.00 3.41 C ATOM 869 CG GLU A 55 -1.841 11.051 -13.405 1.00 73.03 C ATOM 870 CD GLU A 55 -0.895 9.970 -13.892 1.00 3.44 C ATOM 871 OE1 GLU A 55 -1.385 8.945 -14.409 1.00 33.52 O ATOM 872 OE2 GLU A 55 0.333 10.150 -13.756 1.00 0.31 O ATOM 0 H GLU A 55 -1.827 12.186 -10.144 1.00 42.40 H new ATOM 0 HA GLU A 55 -3.527 12.569 -12.300 1.00 44.21 H new ATOM 0 HB2 GLU A 55 -1.628 10.585 -11.329 1.00 3.41 H new ATOM 0 HB3 GLU A 55 -2.987 9.797 -12.106 1.00 3.41 H new ATOM 0 HG2 GLU A 55 -2.646 11.178 -14.129 1.00 73.03 H new ATOM 0 HG3 GLU A 55 -1.307 12.000 -13.353 1.00 73.03 H new ATOM 879 N GLY A 56 -4.781 10.593 -9.975 1.00 53.14 N ATOM 880 CA GLY A 56 -6.015 9.979 -9.523 1.00 24.45 C ATOM 881 C GLY A 56 -7.147 10.978 -9.397 1.00 45.21 C ATOM 882 O GLY A 56 -8.264 10.722 -9.851 1.00 10.25 O ATOM 0 H GLY A 56 -3.995 10.499 -9.331 1.00 53.14 H new ATOM 0 HA2 GLY A 56 -6.304 9.194 -10.222 1.00 24.45 H new ATOM 0 HA3 GLY A 56 -5.847 9.501 -8.558 1.00 24.45 H new ATOM 886 N CYS A 57 -6.862 12.118 -8.778 1.00 4.45 N ATOM 887 CA CYS A 57 -7.867 13.159 -8.591 1.00 24.33 C ATOM 888 C CYS A 57 -8.286 13.757 -9.931 1.00 21.40 C ATOM 889 O CYS A 57 -9.466 14.023 -10.161 1.00 1.51 O ATOM 890 CB CYS A 57 -7.329 14.258 -7.675 1.00 71.32 C ATOM 891 SG CYS A 57 -7.615 13.957 -5.914 1.00 15.35 S ATOM 0 H CYS A 57 -5.944 12.345 -8.397 1.00 4.45 H new ATOM 0 HA CYS A 57 -8.742 12.705 -8.126 1.00 24.33 H new ATOM 0 HB2 CYS A 57 -6.258 14.366 -7.845 1.00 71.32 H new ATOM 0 HB3 CYS A 57 -7.792 15.205 -7.951 1.00 71.32 H new ATOM 0 HG CYS A 57 -7.123 14.940 -5.220 1.00 15.35 H new ATOM 897 N ARG A 58 -7.312 13.965 -10.810 1.00 1.30 N ATOM 898 CA ARG A 58 -7.579 14.535 -12.125 1.00 1.31 C ATOM 899 C ARG A 58 -8.724 13.798 -12.814 1.00 2.43 C ATOM 900 O ARG A 58 -9.443 14.375 -13.630 1.00 11.21 O ATOM 901 CB ARG A 58 -6.323 14.474 -12.996 1.00 72.23 C ATOM 902 CG ARG A 58 -5.963 15.802 -13.640 1.00 31.22 C ATOM 903 CD ARG A 58 -6.678 15.989 -14.970 1.00 55.13 C ATOM 904 NE ARG A 58 -8.042 16.480 -14.793 1.00 41.11 N ATOM 905 CZ ARG A 58 -8.901 16.637 -15.793 1.00 11.42 C ATOM 906 NH1 ARG A 58 -8.540 16.344 -17.035 1.00 50.24 N ATOM 907 NH2 ARG A 58 -10.126 17.089 -15.552 1.00 11.45 N ATOM 0 H ARG A 58 -6.331 13.747 -10.636 1.00 1.30 H new ATOM 0 HA ARG A 58 -7.869 15.577 -11.989 1.00 1.31 H new ATOM 0 HB2 ARG A 58 -5.485 14.136 -12.387 1.00 72.23 H new ATOM 0 HB3 ARG A 58 -6.469 13.729 -13.778 1.00 72.23 H new ATOM 0 HG2 ARG A 58 -6.226 16.617 -12.966 1.00 31.22 H new ATOM 0 HG3 ARG A 58 -4.885 15.852 -13.795 1.00 31.22 H new ATOM 0 HD2 ARG A 58 -6.117 16.691 -15.588 1.00 55.13 H new ATOM 0 HD3 ARG A 58 -6.701 15.040 -15.506 1.00 55.13 H new ATOM 0 HE ARG A 58 -8.351 16.715 -13.850 1.00 41.11 H new ATOM 0 HH11 ARG A 58 -7.600 15.997 -17.224 1.00 50.24 H new ATOM 0 HH12 ARG A 58 -9.203 16.466 -17.801 1.00 50.24 H new ATOM 0 HH21 ARG A 58 -10.407 17.316 -14.598 1.00 11.45 H new ATOM 0 HH22 ARG A 58 -10.786 17.209 -16.321 1.00 11.45 H new ATOM 921 N GLN A 59 -8.887 12.523 -12.480 1.00 61.35 N ATOM 922 CA GLN A 59 -9.944 11.708 -13.067 1.00 43.42 C ATOM 923 C GLN A 59 -11.216 11.779 -12.228 1.00 72.41 C ATOM 924 O GLN A 59 -12.325 11.716 -12.758 1.00 61.22 O ATOM 925 CB GLN A 59 -9.485 10.255 -13.196 1.00 54.11 C ATOM 926 CG GLN A 59 -8.996 9.893 -14.590 1.00 72.15 C ATOM 927 CD GLN A 59 -10.121 9.458 -15.508 1.00 44.42 C ATOM 928 OE1 GLN A 59 -11.034 10.232 -15.800 1.00 14.35 O ATOM 929 NE2 GLN A 59 -10.062 8.214 -15.969 1.00 10.41 N ATOM 0 H GLN A 59 -8.301 12.031 -11.806 1.00 61.35 H new ATOM 0 HA GLN A 59 -10.163 12.102 -14.060 1.00 43.42 H new ATOM 0 HB2 GLN A 59 -8.684 10.071 -12.480 1.00 54.11 H new ATOM 0 HB3 GLN A 59 -10.311 9.596 -12.927 1.00 54.11 H new ATOM 0 HG2 GLN A 59 -8.487 10.752 -15.027 1.00 72.15 H new ATOM 0 HG3 GLN A 59 -8.261 9.091 -14.516 1.00 72.15 H new ATOM 0 HE21 GLN A 59 -9.287 7.607 -15.701 1.00 10.41 H new ATOM 0 HE22 GLN A 59 -10.791 7.865 -16.591 1.00 10.41 H new ATOM 938 N ILE A 60 -11.047 11.910 -10.917 1.00 60.04 N ATOM 939 CA ILE A 60 -12.181 11.990 -10.004 1.00 11.23 C ATOM 940 C ILE A 60 -12.970 13.277 -10.221 1.00 2.21 C ATOM 941 O ILE A 60 -14.192 13.249 -10.386 1.00 54.14 O ATOM 942 CB ILE A 60 -11.727 11.921 -8.534 1.00 65.02 C ATOM 943 CG1 ILE A 60 -10.968 10.619 -8.273 1.00 32.02 C ATOM 944 CG2 ILE A 60 -12.927 12.036 -7.604 1.00 20.32 C ATOM 945 CD1 ILE A 60 -10.007 10.704 -7.109 1.00 75.53 C ATOM 0 H ILE A 60 -10.135 11.963 -10.463 1.00 60.04 H new ATOM 0 HA ILE A 60 -12.820 11.133 -10.218 1.00 11.23 H new ATOM 0 HB ILE A 60 -11.056 12.757 -8.336 1.00 65.02 H new ATOM 0 HG12 ILE A 60 -11.686 9.821 -8.084 1.00 32.02 H new ATOM 0 HG13 ILE A 60 -10.415 10.344 -9.171 1.00 32.02 H new ATOM 0 HG21 ILE A 60 -12.591 11.986 -6.568 1.00 20.32 H new ATOM 0 HG22 ILE A 60 -13.431 12.987 -7.776 1.00 20.32 H new ATOM 0 HG23 ILE A 60 -13.620 11.218 -7.801 1.00 20.32 H new ATOM 0 HD11 ILE A 60 -9.504 9.745 -6.982 1.00 75.53 H new ATOM 0 HD12 ILE A 60 -9.266 11.479 -7.305 1.00 75.53 H new ATOM 0 HD13 ILE A 60 -10.557 10.948 -6.200 1.00 75.53 H new ATOM 957 N LEU A 61 -12.267 14.403 -10.222 1.00 41.15 N ATOM 958 CA LEU A 61 -12.901 15.702 -10.421 1.00 51.01 C ATOM 959 C LEU A 61 -13.733 15.712 -11.699 1.00 15.30 C ATOM 960 O LEU A 61 -14.851 16.223 -11.721 1.00 23.21 O ATOM 961 CB LEU A 61 -11.843 16.805 -10.478 1.00 20.10 C ATOM 962 CG LEU A 61 -11.241 17.227 -9.137 1.00 35.00 C ATOM 963 CD1 LEU A 61 -9.870 17.853 -9.342 1.00 41.34 C ATOM 964 CD2 LEU A 61 -12.169 18.194 -8.417 1.00 54.23 C ATOM 0 H LEU A 61 -11.257 14.444 -10.087 1.00 41.15 H new ATOM 0 HA LEU A 61 -13.565 15.888 -9.577 1.00 51.01 H new ATOM 0 HB2 LEU A 61 -11.034 16.472 -11.128 1.00 20.10 H new ATOM 0 HB3 LEU A 61 -12.287 17.683 -10.947 1.00 20.10 H new ATOM 0 HG LEU A 61 -11.123 16.338 -8.517 1.00 35.00 H new ATOM 0 HD11 LEU A 61 -9.457 18.147 -8.377 1.00 41.34 H new ATOM 0 HD12 LEU A 61 -9.207 17.129 -9.816 1.00 41.34 H new ATOM 0 HD13 LEU A 61 -9.963 18.732 -9.980 1.00 41.34 H new ATOM 0 HD21 LEU A 61 -11.725 18.484 -7.465 1.00 54.23 H new ATOM 0 HD22 LEU A 61 -12.319 19.081 -9.032 1.00 54.23 H new ATOM 0 HD23 LEU A 61 -13.129 17.711 -8.237 1.00 54.23 H new ATOM 976 N GLY A 62 -13.178 15.141 -12.765 1.00 54.12 N ATOM 977 CA GLY A 62 -13.882 15.093 -14.032 1.00 63.21 C ATOM 978 C GLY A 62 -15.145 14.258 -13.962 1.00 31.53 C ATOM 979 O GLY A 62 -16.027 14.383 -14.812 1.00 73.21 O ATOM 0 H GLY A 62 -12.253 14.711 -12.772 1.00 54.12 H new ATOM 0 HA2 GLY A 62 -14.137 16.107 -14.341 1.00 63.21 H new ATOM 0 HA3 GLY A 62 -13.221 14.683 -14.796 1.00 63.21 H new ATOM 983 N GLN A 63 -15.232 13.403 -12.948 1.00 21.20 N ATOM 984 CA GLN A 63 -16.396 12.542 -12.773 1.00 21.30 C ATOM 985 C GLN A 63 -17.496 13.264 -12.002 1.00 21.10 C ATOM 986 O GLN A 63 -18.643 13.323 -12.446 1.00 64.25 O ATOM 987 CB GLN A 63 -16.002 11.259 -12.039 1.00 34.55 C ATOM 988 CG GLN A 63 -15.826 10.062 -12.960 1.00 1.00 C ATOM 989 CD GLN A 63 -15.202 8.872 -12.258 1.00 30.01 C ATOM 990 OE1 GLN A 63 -15.903 8.043 -11.675 1.00 54.33 O ATOM 991 NE2 GLN A 63 -13.878 8.780 -12.311 1.00 4.12 N ATOM 0 H GLN A 63 -14.511 13.288 -12.236 1.00 21.20 H new ATOM 0 HA GLN A 63 -16.778 12.285 -13.761 1.00 21.30 H new ATOM 0 HB2 GLN A 63 -15.072 11.431 -11.498 1.00 34.55 H new ATOM 0 HB3 GLN A 63 -16.765 11.026 -11.296 1.00 34.55 H new ATOM 0 HG2 GLN A 63 -16.797 9.773 -13.363 1.00 1.00 H new ATOM 0 HG3 GLN A 63 -15.201 10.348 -13.806 1.00 1.00 H new ATOM 0 HE21 GLN A 63 -13.337 9.490 -12.805 1.00 4.12 H new ATOM 0 HE22 GLN A 63 -13.402 8.000 -11.858 1.00 4.12 H new ATOM 1000 N LEU A 64 -17.139 13.812 -10.845 1.00 11.41 N ATOM 1001 CA LEU A 64 -18.096 14.531 -10.012 1.00 43.33 C ATOM 1002 C LEU A 64 -18.530 15.832 -10.679 1.00 51.11 C ATOM 1003 O LEU A 64 -19.673 16.265 -10.533 1.00 74.15 O ATOM 1004 CB LEU A 64 -17.487 14.826 -8.640 1.00 24.40 C ATOM 1005 CG LEU A 64 -16.880 13.631 -7.904 1.00 5.12 C ATOM 1006 CD1 LEU A 64 -16.158 14.089 -6.647 1.00 74.45 C ATOM 1007 CD2 LEU A 64 -17.958 12.611 -7.562 1.00 52.55 C ATOM 0 H LEU A 64 -16.194 13.772 -10.463 1.00 11.41 H new ATOM 0 HA LEU A 64 -18.975 13.899 -9.884 1.00 43.33 H new ATOM 0 HB2 LEU A 64 -16.712 15.583 -8.764 1.00 24.40 H new ATOM 0 HB3 LEU A 64 -18.260 15.262 -8.008 1.00 24.40 H new ATOM 0 HG LEU A 64 -16.153 13.154 -8.562 1.00 5.12 H new ATOM 0 HD11 LEU A 64 -15.733 13.225 -6.137 1.00 74.45 H new ATOM 0 HD12 LEU A 64 -15.360 14.780 -6.917 1.00 74.45 H new ATOM 0 HD13 LEU A 64 -16.863 14.591 -5.985 1.00 74.45 H new ATOM 0 HD21 LEU A 64 -17.508 11.767 -7.039 1.00 52.55 H new ATOM 0 HD22 LEU A 64 -18.709 13.076 -6.923 1.00 52.55 H new ATOM 0 HD23 LEU A 64 -18.430 12.259 -8.479 1.00 52.55 H new ATOM 1019 N GLN A 65 -17.609 16.451 -11.412 1.00 5.00 N ATOM 1020 CA GLN A 65 -17.898 17.702 -12.103 1.00 4.21 C ATOM 1021 C GLN A 65 -19.236 17.626 -12.831 1.00 41.43 C ATOM 1022 O GLN A 65 -20.173 18.370 -12.536 1.00 30.14 O ATOM 1023 CB GLN A 65 -16.782 18.030 -13.097 1.00 73.14 C ATOM 1024 CG GLN A 65 -15.806 19.079 -12.590 1.00 54.44 C ATOM 1025 CD GLN A 65 -14.853 19.559 -13.668 1.00 63.14 C ATOM 1026 OE1 GLN A 65 -14.558 18.834 -14.618 1.00 2.51 O ATOM 1027 NE2 GLN A 65 -14.366 20.785 -13.525 1.00 44.05 N ATOM 0 H GLN A 65 -16.658 16.107 -11.542 1.00 5.00 H new ATOM 0 HA GLN A 65 -17.955 18.494 -11.357 1.00 4.21 H new ATOM 0 HB2 GLN A 65 -16.233 17.117 -13.329 1.00 73.14 H new ATOM 0 HB3 GLN A 65 -17.227 18.380 -14.028 1.00 73.14 H new ATOM 0 HG2 GLN A 65 -16.364 19.930 -12.198 1.00 54.44 H new ATOM 0 HG3 GLN A 65 -15.232 18.665 -11.761 1.00 54.44 H new ATOM 0 HE21 GLN A 65 -14.638 21.351 -12.721 1.00 44.05 H new ATOM 0 HE22 GLN A 65 -13.720 21.161 -14.219 1.00 44.05 H new ATOM 1036 N PRO A 66 -19.330 16.708 -13.803 1.00 22.33 N ATOM 1037 CA PRO A 66 -20.550 16.513 -14.593 1.00 44.14 C ATOM 1038 C PRO A 66 -21.681 15.902 -13.772 1.00 23.30 C ATOM 1039 O PRO A 66 -22.811 15.785 -14.245 1.00 64.33 O ATOM 1040 CB PRO A 66 -20.109 15.548 -15.695 1.00 33.33 C ATOM 1041 CG PRO A 66 -18.951 14.812 -15.114 1.00 30.11 C ATOM 1042 CD PRO A 66 -18.254 15.788 -14.207 1.00 71.42 C ATOM 0 HA PRO A 66 -20.948 17.456 -14.967 1.00 44.14 H new ATOM 0 HB2 PRO A 66 -20.914 14.866 -15.969 1.00 33.33 H new ATOM 0 HB3 PRO A 66 -19.823 16.084 -16.600 1.00 33.33 H new ATOM 0 HG2 PRO A 66 -19.284 13.934 -14.560 1.00 30.11 H new ATOM 0 HG3 PRO A 66 -18.280 14.459 -15.897 1.00 30.11 H new ATOM 0 HD2 PRO A 66 -17.808 15.289 -13.347 1.00 71.42 H new ATOM 0 HD3 PRO A 66 -17.450 16.312 -14.723 1.00 71.42 H new ATOM 1050 N SER A 67 -21.369 15.515 -12.539 1.00 53.13 N ATOM 1051 CA SER A 67 -22.359 14.914 -11.653 1.00 32.53 C ATOM 1052 C SER A 67 -22.827 15.915 -10.601 1.00 1.01 C ATOM 1053 O SER A 67 -23.672 15.602 -9.762 1.00 71.53 O ATOM 1054 CB SER A 67 -21.777 13.674 -10.970 1.00 41.00 C ATOM 1055 OG SER A 67 -21.332 12.727 -11.926 1.00 53.21 O ATOM 0 H SER A 67 -20.439 15.607 -12.131 1.00 53.13 H new ATOM 0 HA SER A 67 -23.218 14.619 -12.256 1.00 32.53 H new ATOM 0 HB2 SER A 67 -20.946 13.965 -10.328 1.00 41.00 H new ATOM 0 HB3 SER A 67 -22.532 13.220 -10.328 1.00 41.00 H new ATOM 0 HG SER A 67 -20.396 12.907 -12.154 1.00 53.21 H new ATOM 1061 N LEU A 68 -22.272 17.120 -10.653 1.00 11.44 N ATOM 1062 CA LEU A 68 -22.631 18.170 -9.706 1.00 61.32 C ATOM 1063 C LEU A 68 -24.112 18.519 -9.816 1.00 13.32 C ATOM 1064 O LEU A 68 -24.690 19.107 -8.902 1.00 30.52 O ATOM 1065 CB LEU A 68 -21.781 19.418 -9.950 1.00 53.23 C ATOM 1066 CG LEU A 68 -20.402 19.431 -9.287 1.00 3.32 C ATOM 1067 CD1 LEU A 68 -19.472 20.393 -10.011 1.00 22.41 C ATOM 1068 CD2 LEU A 68 -20.521 19.806 -7.817 1.00 11.11 C ATOM 0 H LEU A 68 -21.571 17.395 -11.341 1.00 11.44 H new ATOM 0 HA LEU A 68 -22.438 17.799 -8.700 1.00 61.32 H new ATOM 0 HB2 LEU A 68 -21.646 19.537 -11.025 1.00 53.23 H new ATOM 0 HB3 LEU A 68 -22.338 20.287 -9.600 1.00 53.23 H new ATOM 0 HG LEU A 68 -19.978 18.429 -9.352 1.00 3.32 H new ATOM 0 HD11 LEU A 68 -18.496 20.390 -9.526 1.00 22.41 H new ATOM 0 HD12 LEU A 68 -19.362 20.081 -11.050 1.00 22.41 H new ATOM 0 HD13 LEU A 68 -19.891 21.399 -9.977 1.00 22.41 H new ATOM 0 HD21 LEU A 68 -19.531 19.810 -7.361 1.00 11.11 H new ATOM 0 HD22 LEU A 68 -20.965 20.798 -7.729 1.00 11.11 H new ATOM 0 HD23 LEU A 68 -21.152 19.079 -7.306 1.00 11.11 H new ATOM 1080 N GLN A 69 -24.719 18.153 -10.940 1.00 32.42 N ATOM 1081 CA GLN A 69 -26.132 18.427 -11.169 1.00 11.12 C ATOM 1082 C GLN A 69 -27.009 17.510 -10.322 1.00 53.12 C ATOM 1083 O GLN A 69 -27.960 17.959 -9.681 1.00 10.51 O ATOM 1084 CB GLN A 69 -26.474 18.253 -12.650 1.00 1.31 C ATOM 1085 CG GLN A 69 -27.954 18.414 -12.956 1.00 64.24 C ATOM 1086 CD GLN A 69 -28.214 19.368 -14.105 1.00 74.25 C ATOM 1087 OE1 GLN A 69 -28.556 20.532 -13.895 1.00 3.41 O ATOM 1088 NE2 GLN A 69 -28.049 18.880 -15.328 1.00 12.05 N ATOM 0 H GLN A 69 -24.254 17.666 -11.706 1.00 32.42 H new ATOM 0 HA GLN A 69 -26.328 19.459 -10.877 1.00 11.12 H new ATOM 0 HB2 GLN A 69 -25.910 18.981 -13.233 1.00 1.31 H new ATOM 0 HB3 GLN A 69 -26.150 17.265 -12.975 1.00 1.31 H new ATOM 0 HG2 GLN A 69 -28.379 17.439 -13.195 1.00 64.24 H new ATOM 0 HG3 GLN A 69 -28.468 18.776 -12.065 1.00 64.24 H new ATOM 0 HE21 GLN A 69 -27.765 17.909 -15.455 1.00 12.05 H new ATOM 0 HE22 GLN A 69 -28.207 19.476 -16.141 1.00 12.05 H new ATOM 1097 N THR A 70 -26.682 16.221 -10.322 1.00 1.40 N ATOM 1098 CA THR A 70 -27.440 15.241 -9.555 1.00 20.43 C ATOM 1099 C THR A 70 -26.606 14.673 -8.412 1.00 13.12 C ATOM 1100 O THR A 70 -26.735 13.501 -8.060 1.00 52.01 O ATOM 1101 CB THR A 70 -27.924 14.082 -10.447 1.00 44.24 C ATOM 1102 OG1 THR A 70 -26.846 13.605 -11.259 1.00 41.15 O ATOM 1103 CG2 THR A 70 -29.076 14.529 -11.336 1.00 70.04 C ATOM 0 H THR A 70 -25.897 15.832 -10.845 1.00 1.40 H new ATOM 0 HA THR A 70 -28.306 15.761 -9.146 1.00 20.43 H new ATOM 0 HB THR A 70 -28.275 13.277 -9.801 1.00 44.24 H new ATOM 0 HG1 THR A 70 -27.162 12.867 -11.822 1.00 41.15 H new ATOM 0 HG21 THR A 70 -29.401 13.694 -11.957 1.00 70.04 H new ATOM 0 HG22 THR A 70 -29.906 14.864 -10.714 1.00 70.04 H new ATOM 0 HG23 THR A 70 -28.746 15.349 -11.974 1.00 70.04 H new ATOM 1111 N GLY A 71 -25.750 15.511 -7.837 1.00 10.51 N ATOM 1112 CA GLY A 71 -24.907 15.074 -6.739 1.00 13.23 C ATOM 1113 C GLY A 71 -25.489 15.427 -5.385 1.00 23.22 C ATOM 1114 O GLY A 71 -25.744 16.596 -5.097 1.00 73.55 O ATOM 0 H GLY A 71 -25.625 16.485 -8.112 1.00 10.51 H new ATOM 0 HA2 GLY A 71 -24.766 13.995 -6.800 1.00 13.23 H new ATOM 0 HA3 GLY A 71 -23.922 15.530 -6.838 1.00 13.23 H new ATOM 1118 N SER A 72 -25.703 14.413 -4.552 1.00 24.35 N ATOM 1119 CA SER A 72 -26.265 14.621 -3.223 1.00 35.11 C ATOM 1120 C SER A 72 -25.361 15.521 -2.386 1.00 14.11 C ATOM 1121 O SER A 72 -24.416 16.118 -2.899 1.00 21.33 O ATOM 1122 CB SER A 72 -26.464 13.279 -2.514 1.00 3.33 C ATOM 1123 OG SER A 72 -25.286 12.879 -1.837 1.00 1.45 O ATOM 0 H SER A 72 -25.496 13.439 -4.774 1.00 24.35 H new ATOM 0 HA SER A 72 -27.232 15.111 -3.337 1.00 35.11 H new ATOM 0 HB2 SER A 72 -27.286 13.359 -1.803 1.00 3.33 H new ATOM 0 HB3 SER A 72 -26.745 12.518 -3.242 1.00 3.33 H new ATOM 0 HG SER A 72 -25.524 12.484 -0.972 1.00 1.45 H new ATOM 1129 N GLU A 73 -25.660 15.612 -1.094 1.00 52.21 N ATOM 1130 CA GLU A 73 -24.875 16.440 -0.185 1.00 23.33 C ATOM 1131 C GLU A 73 -23.476 15.861 0.005 1.00 53.35 C ATOM 1132 O GLU A 73 -22.498 16.601 0.115 1.00 2.12 O ATOM 1133 CB GLU A 73 -25.579 16.558 1.169 1.00 51.20 C ATOM 1134 CG GLU A 73 -26.480 17.776 1.282 1.00 22.14 C ATOM 1135 CD GLU A 73 -27.913 17.411 1.616 1.00 44.40 C ATOM 1136 OE1 GLU A 73 -28.126 16.709 2.626 1.00 0.25 O ATOM 1137 OE2 GLU A 73 -28.822 17.829 0.867 1.00 64.44 O ATOM 0 H GLU A 73 -26.439 15.123 -0.653 1.00 52.21 H new ATOM 0 HA GLU A 73 -24.782 17.433 -0.625 1.00 23.33 H new ATOM 0 HB2 GLU A 73 -26.173 15.660 1.340 1.00 51.20 H new ATOM 0 HB3 GLU A 73 -24.828 16.598 1.958 1.00 51.20 H new ATOM 0 HG2 GLU A 73 -26.090 18.442 2.051 1.00 22.14 H new ATOM 0 HG3 GLU A 73 -26.459 18.328 0.342 1.00 22.14 H new ATOM 1144 N GLU A 74 -23.390 14.536 0.045 1.00 34.54 N ATOM 1145 CA GLU A 74 -22.110 13.859 0.224 1.00 11.01 C ATOM 1146 C GLU A 74 -21.171 14.155 -0.941 1.00 14.21 C ATOM 1147 O GLU A 74 -19.993 14.456 -0.742 1.00 13.42 O ATOM 1148 CB GLU A 74 -22.320 12.349 0.352 1.00 63.53 C ATOM 1149 CG GLU A 74 -22.868 11.923 1.705 1.00 75.03 C ATOM 1150 CD GLU A 74 -24.200 11.209 1.598 1.00 23.33 C ATOM 1151 OE1 GLU A 74 -25.047 11.651 0.794 1.00 3.20 O ATOM 1152 OE2 GLU A 74 -24.395 10.207 2.316 1.00 63.43 O ATOM 0 H GLU A 74 -24.190 13.910 -0.044 1.00 34.54 H new ATOM 0 HA GLU A 74 -21.655 14.234 1.140 1.00 11.01 H new ATOM 0 HB2 GLU A 74 -23.005 12.018 -0.429 1.00 63.53 H new ATOM 0 HB3 GLU A 74 -21.371 11.843 0.178 1.00 63.53 H new ATOM 0 HG2 GLU A 74 -22.147 11.268 2.194 1.00 75.03 H new ATOM 0 HG3 GLU A 74 -22.982 12.802 2.340 1.00 75.03 H new ATOM 1159 N LEU A 75 -21.699 14.067 -2.157 1.00 73.10 N ATOM 1160 CA LEU A 75 -20.909 14.324 -3.356 1.00 55.42 C ATOM 1161 C LEU A 75 -20.422 15.770 -3.386 1.00 31.23 C ATOM 1162 O LEU A 75 -19.348 16.063 -3.912 1.00 13.22 O ATOM 1163 CB LEU A 75 -21.733 14.025 -4.608 1.00 35.21 C ATOM 1164 CG LEU A 75 -20.963 14.006 -5.930 1.00 11.40 C ATOM 1165 CD1 LEU A 75 -21.496 12.914 -6.843 1.00 64.12 C ATOM 1166 CD2 LEU A 75 -21.045 15.363 -6.613 1.00 11.34 C ATOM 0 H LEU A 75 -22.672 13.819 -2.339 1.00 73.10 H new ATOM 0 HA LEU A 75 -20.040 13.667 -3.337 1.00 55.42 H new ATOM 0 HB2 LEU A 75 -22.216 13.057 -4.478 1.00 35.21 H new ATOM 0 HB3 LEU A 75 -22.526 14.769 -4.683 1.00 35.21 H new ATOM 0 HG LEU A 75 -19.916 13.792 -5.716 1.00 11.40 H new ATOM 0 HD11 LEU A 75 -20.936 12.916 -7.778 1.00 64.12 H new ATOM 0 HD12 LEU A 75 -21.384 11.946 -6.355 1.00 64.12 H new ATOM 0 HD13 LEU A 75 -22.550 13.096 -7.051 1.00 64.12 H new ATOM 0 HD21 LEU A 75 -20.492 15.332 -7.552 1.00 11.34 H new ATOM 0 HD22 LEU A 75 -22.088 15.607 -6.814 1.00 11.34 H new ATOM 0 HD23 LEU A 75 -20.614 16.124 -5.963 1.00 11.34 H new ATOM 1178 N ARG A 76 -21.219 16.669 -2.819 1.00 1.11 N ATOM 1179 CA ARG A 76 -20.869 18.084 -2.781 1.00 2.51 C ATOM 1180 C ARG A 76 -19.578 18.305 -1.998 1.00 21.45 C ATOM 1181 O ARG A 76 -18.615 18.868 -2.517 1.00 54.24 O ATOM 1182 CB ARG A 76 -22.004 18.895 -2.151 1.00 30.25 C ATOM 1183 CG ARG A 76 -22.172 20.279 -2.758 1.00 63.24 C ATOM 1184 CD ARG A 76 -23.259 21.070 -2.046 1.00 1.13 C ATOM 1185 NE ARG A 76 -22.849 21.481 -0.707 1.00 72.14 N ATOM 1186 CZ ARG A 76 -23.568 22.286 0.067 1.00 64.43 C ATOM 1187 NH1 ARG A 76 -24.728 22.763 -0.363 1.00 31.30 N ATOM 1188 NH2 ARG A 76 -23.128 22.615 1.275 1.00 12.12 N ATOM 0 H ARG A 76 -22.111 16.443 -2.380 1.00 1.11 H new ATOM 0 HA ARG A 76 -20.714 18.421 -3.806 1.00 2.51 H new ATOM 0 HB2 ARG A 76 -22.938 18.343 -2.260 1.00 30.25 H new ATOM 0 HB3 ARG A 76 -21.817 18.996 -1.082 1.00 30.25 H new ATOM 0 HG2 ARG A 76 -21.228 20.821 -2.699 1.00 63.24 H new ATOM 0 HG3 ARG A 76 -22.421 20.186 -3.815 1.00 63.24 H new ATOM 0 HD2 ARG A 76 -23.510 21.952 -2.635 1.00 1.13 H new ATOM 0 HD3 ARG A 76 -24.163 20.464 -1.978 1.00 1.13 H new ATOM 0 HE ARG A 76 -21.962 21.131 -0.346 1.00 72.14 H new ATOM 0 HH11 ARG A 76 -25.070 22.512 -1.290 1.00 31.30 H new ATOM 0 HH12 ARG A 76 -25.278 23.381 0.234 1.00 31.30 H new ATOM 0 HH21 ARG A 76 -22.237 22.250 1.610 1.00 12.12 H new ATOM 0 HH22 ARG A 76 -23.681 23.233 1.868 1.00 12.12 H new ATOM 1202 N SER A 77 -19.566 17.855 -0.747 1.00 4.13 N ATOM 1203 CA SER A 77 -18.395 18.007 0.109 1.00 1.32 C ATOM 1204 C SER A 77 -17.149 17.455 -0.575 1.00 73.50 C ATOM 1205 O SER A 77 -16.072 18.050 -0.504 1.00 33.20 O ATOM 1206 CB SER A 77 -18.618 17.294 1.444 1.00 41.42 C ATOM 1207 OG SER A 77 -19.601 16.281 1.324 1.00 72.30 O ATOM 0 H SER A 77 -20.354 17.382 -0.304 1.00 4.13 H new ATOM 0 HA SER A 77 -18.245 19.071 0.295 1.00 1.32 H new ATOM 0 HB2 SER A 77 -17.680 16.856 1.787 1.00 41.42 H new ATOM 0 HB3 SER A 77 -18.927 18.017 2.199 1.00 41.42 H new ATOM 0 HG SER A 77 -19.402 15.723 0.543 1.00 72.30 H new ATOM 1213 N LEU A 78 -17.301 16.312 -1.236 1.00 54.43 N ATOM 1214 CA LEU A 78 -16.188 15.677 -1.932 1.00 52.21 C ATOM 1215 C LEU A 78 -15.519 16.654 -2.895 1.00 53.14 C ATOM 1216 O LEU A 78 -14.317 16.903 -2.806 1.00 54.24 O ATOM 1217 CB LEU A 78 -16.675 14.444 -2.696 1.00 41.43 C ATOM 1218 CG LEU A 78 -16.324 13.090 -2.077 1.00 40.41 C ATOM 1219 CD1 LEU A 78 -14.821 12.964 -1.884 1.00 2.53 C ATOM 1220 CD2 LEU A 78 -17.052 12.904 -0.753 1.00 12.42 C ATOM 0 H LEU A 78 -18.184 15.807 -1.304 1.00 54.43 H new ATOM 0 HA LEU A 78 -15.454 15.369 -1.187 1.00 52.21 H new ATOM 0 HB2 LEU A 78 -17.759 14.506 -2.794 1.00 41.43 H new ATOM 0 HB3 LEU A 78 -16.261 14.479 -3.704 1.00 41.43 H new ATOM 0 HG LEU A 78 -16.648 12.305 -2.760 1.00 40.41 H new ATOM 0 HD11 LEU A 78 -14.591 11.994 -1.443 1.00 2.53 H new ATOM 0 HD12 LEU A 78 -14.322 13.051 -2.849 1.00 2.53 H new ATOM 0 HD13 LEU A 78 -14.472 13.756 -1.222 1.00 2.53 H new ATOM 0 HD21 LEU A 78 -16.790 11.935 -0.327 1.00 12.42 H new ATOM 0 HD22 LEU A 78 -16.759 13.695 -0.063 1.00 12.42 H new ATOM 0 HD23 LEU A 78 -18.128 12.948 -0.920 1.00 12.42 H new ATOM 1232 N TYR A 79 -16.307 17.204 -3.812 1.00 54.31 N ATOM 1233 CA TYR A 79 -15.791 18.154 -4.791 1.00 51.25 C ATOM 1234 C TYR A 79 -14.984 19.255 -4.109 1.00 2.13 C ATOM 1235 O TYR A 79 -13.947 19.683 -4.614 1.00 40.12 O ATOM 1236 CB TYR A 79 -16.941 18.769 -5.590 1.00 30.30 C ATOM 1237 CG TYR A 79 -16.507 19.376 -6.905 1.00 22.22 C ATOM 1238 CD1 TYR A 79 -15.879 18.604 -7.876 1.00 52.12 C ATOM 1239 CD2 TYR A 79 -16.723 20.721 -7.177 1.00 1.12 C ATOM 1240 CE1 TYR A 79 -15.480 19.154 -9.078 1.00 11.23 C ATOM 1241 CE2 TYR A 79 -16.329 21.279 -8.378 1.00 0.22 C ATOM 1242 CZ TYR A 79 -15.708 20.492 -9.325 1.00 12.35 C ATOM 1243 OH TYR A 79 -15.313 21.046 -10.522 1.00 75.34 O ATOM 0 H TYR A 79 -17.304 17.009 -3.898 1.00 54.31 H new ATOM 0 HA TYR A 79 -15.132 17.615 -5.471 1.00 51.25 H new ATOM 0 HB2 TYR A 79 -17.690 18.001 -5.783 1.00 30.30 H new ATOM 0 HB3 TYR A 79 -17.422 19.538 -4.986 1.00 30.30 H new ATOM 0 HD1 TYR A 79 -15.700 17.556 -7.687 1.00 52.12 H new ATOM 0 HD2 TYR A 79 -17.207 21.341 -6.437 1.00 1.12 H new ATOM 0 HE1 TYR A 79 -14.992 18.540 -9.821 1.00 11.23 H new ATOM 0 HE2 TYR A 79 -16.506 22.326 -8.574 1.00 0.22 H new ATOM 0 HH TYR A 79 -15.549 21.997 -10.536 1.00 75.34 H new ATOM 1253 N ASN A 80 -15.470 19.710 -2.958 1.00 4.44 N ATOM 1254 CA ASN A 80 -14.796 20.762 -2.207 1.00 51.23 C ATOM 1255 C ASN A 80 -13.387 20.330 -1.811 1.00 24.43 C ATOM 1256 O ASN A 80 -12.400 20.946 -2.214 1.00 52.35 O ATOM 1257 CB ASN A 80 -15.602 21.120 -0.956 1.00 12.03 C ATOM 1258 CG ASN A 80 -16.314 22.452 -1.089 1.00 10.13 C ATOM 1259 OD1 ASN A 80 -16.128 23.323 -0.105 1.00 14.14 O flip ATOM 1260 ND2 ASN A 80 -17.024 22.694 -2.065 1.00 71.11 N flip ATOM 0 H ASN A 80 -16.328 19.366 -2.526 1.00 4.44 H new ATOM 0 HA ASN A 80 -14.721 21.641 -2.847 1.00 51.23 H new ATOM 0 HB2 ASN A 80 -16.335 20.337 -0.763 1.00 12.03 H new ATOM 0 HB3 ASN A 80 -14.935 21.152 -0.094 1.00 12.03 H new ATOM 0 HD21 ASN A 80 -17.139 21.994 -2.798 1.00 71.11 H new ATOM 0 HD22 ASN A 80 -17.498 23.594 -2.140 1.00 71.11 H new ATOM 1267 N THR A 81 -13.300 19.265 -1.020 1.00 2.23 N ATOM 1268 CA THR A 81 -12.014 18.750 -0.569 1.00 34.01 C ATOM 1269 C THR A 81 -11.116 18.403 -1.752 1.00 72.04 C ATOM 1270 O THR A 81 -10.004 18.918 -1.871 1.00 71.21 O ATOM 1271 CB THR A 81 -12.187 17.500 0.313 1.00 63.33 C ATOM 1272 OG1 THR A 81 -13.062 17.791 1.409 1.00 11.14 O ATOM 1273 CG2 THR A 81 -10.844 17.022 0.845 1.00 51.31 C ATOM 0 H THR A 81 -14.106 18.742 -0.678 1.00 2.23 H new ATOM 0 HA THR A 81 -11.547 19.539 0.020 1.00 34.01 H new ATOM 0 HB THR A 81 -12.621 16.709 -0.299 1.00 63.33 H new ATOM 0 HG1 THR A 81 -13.168 16.990 1.964 1.00 11.14 H new ATOM 0 HG21 THR A 81 -10.992 16.138 1.465 1.00 51.31 H new ATOM 0 HG22 THR A 81 -10.189 16.774 0.010 1.00 51.31 H new ATOM 0 HG23 THR A 81 -10.387 17.811 1.442 1.00 51.31 H new ATOM 1281 N ILE A 82 -11.605 17.528 -2.623 1.00 23.44 N ATOM 1282 CA ILE A 82 -10.847 17.113 -3.797 1.00 21.11 C ATOM 1283 C ILE A 82 -10.301 18.320 -4.552 1.00 11.12 C ATOM 1284 O ILE A 82 -9.141 18.335 -4.963 1.00 23.04 O ATOM 1285 CB ILE A 82 -11.709 16.269 -4.755 1.00 15.10 C ATOM 1286 CG1 ILE A 82 -12.236 15.025 -4.039 1.00 70.45 C ATOM 1287 CG2 ILE A 82 -10.904 15.878 -5.985 1.00 61.14 C ATOM 1288 CD1 ILE A 82 -13.474 14.437 -4.680 1.00 53.04 C ATOM 0 H ILE A 82 -12.523 17.092 -2.538 1.00 23.44 H new ATOM 0 HA ILE A 82 -10.017 16.505 -3.438 1.00 21.11 H new ATOM 0 HB ILE A 82 -12.561 16.868 -5.077 1.00 15.10 H new ATOM 0 HG12 ILE A 82 -11.452 14.268 -4.020 1.00 70.45 H new ATOM 0 HG13 ILE A 82 -12.459 15.279 -3.003 1.00 70.45 H new ATOM 0 HG21 ILE A 82 -11.526 15.282 -6.653 1.00 61.14 H new ATOM 0 HG22 ILE A 82 -10.573 16.777 -6.504 1.00 61.14 H new ATOM 0 HG23 ILE A 82 -10.035 15.294 -5.681 1.00 61.14 H new ATOM 0 HD11 ILE A 82 -13.791 13.558 -4.119 1.00 53.04 H new ATOM 0 HD12 ILE A 82 -14.273 15.178 -4.675 1.00 53.04 H new ATOM 0 HD13 ILE A 82 -13.251 14.151 -5.708 1.00 53.04 H new ATOM 1300 N ALA A 83 -11.145 19.332 -4.729 1.00 31.12 N ATOM 1301 CA ALA A 83 -10.746 20.545 -5.432 1.00 75.22 C ATOM 1302 C ALA A 83 -9.489 21.149 -4.814 1.00 45.15 C ATOM 1303 O ALA A 83 -8.545 21.501 -5.521 1.00 41.52 O ATOM 1304 CB ALA A 83 -11.881 21.559 -5.421 1.00 21.33 C ATOM 0 H ALA A 83 -12.109 19.335 -4.395 1.00 31.12 H new ATOM 0 HA ALA A 83 -10.520 20.279 -6.465 1.00 75.22 H new ATOM 0 HB1 ALA A 83 -11.569 22.460 -5.949 1.00 21.33 H new ATOM 0 HB2 ALA A 83 -12.754 21.133 -5.915 1.00 21.33 H new ATOM 0 HB3 ALA A 83 -12.133 21.811 -4.391 1.00 21.33 H new ATOM 1310 N VAL A 84 -9.484 21.267 -3.489 1.00 23.14 N ATOM 1311 CA VAL A 84 -8.344 21.828 -2.776 1.00 11.13 C ATOM 1312 C VAL A 84 -7.145 20.888 -2.830 1.00 45.04 C ATOM 1313 O VAL A 84 -6.030 21.302 -3.148 1.00 12.00 O ATOM 1314 CB VAL A 84 -8.690 22.118 -1.304 1.00 43.13 C ATOM 1315 CG1 VAL A 84 -7.572 22.906 -0.637 1.00 31.43 C ATOM 1316 CG2 VAL A 84 -10.011 22.866 -1.205 1.00 3.12 C ATOM 0 H VAL A 84 -10.258 20.981 -2.889 1.00 23.14 H new ATOM 0 HA VAL A 84 -8.090 22.764 -3.273 1.00 11.13 H new ATOM 0 HB VAL A 84 -8.795 21.168 -0.780 1.00 43.13 H new ATOM 0 HG11 VAL A 84 -7.835 23.101 0.403 1.00 31.43 H new ATOM 0 HG12 VAL A 84 -6.648 22.330 -0.676 1.00 31.43 H new ATOM 0 HG13 VAL A 84 -7.432 23.852 -1.160 1.00 31.43 H new ATOM 0 HG21 VAL A 84 -10.240 23.063 -0.158 1.00 3.12 H new ATOM 0 HG22 VAL A 84 -9.935 23.811 -1.744 1.00 3.12 H new ATOM 0 HG23 VAL A 84 -10.805 22.261 -1.643 1.00 3.12 H new ATOM 1326 N LEU A 85 -7.382 19.618 -2.516 1.00 41.42 N ATOM 1327 CA LEU A 85 -6.322 18.617 -2.527 1.00 2.14 C ATOM 1328 C LEU A 85 -5.648 18.553 -3.895 1.00 4.22 C ATOM 1329 O LEU A 85 -4.452 18.814 -4.021 1.00 30.33 O ATOM 1330 CB LEU A 85 -6.886 17.244 -2.160 1.00 65.05 C ATOM 1331 CG LEU A 85 -5.916 16.280 -1.477 1.00 31.53 C ATOM 1332 CD1 LEU A 85 -6.516 15.742 -0.187 1.00 4.13 C ATOM 1333 CD2 LEU A 85 -5.550 15.138 -2.414 1.00 40.41 C ATOM 0 H LEU A 85 -8.299 19.258 -2.251 1.00 41.42 H new ATOM 0 HA LEU A 85 -5.576 18.906 -1.787 1.00 2.14 H new ATOM 0 HB2 LEU A 85 -7.744 17.390 -1.504 1.00 65.05 H new ATOM 0 HB3 LEU A 85 -7.257 16.771 -3.069 1.00 65.05 H new ATOM 0 HG LEU A 85 -5.006 16.826 -1.230 1.00 31.53 H new ATOM 0 HD11 LEU A 85 -5.811 15.058 0.285 1.00 4.13 H new ATOM 0 HD12 LEU A 85 -6.726 16.570 0.490 1.00 4.13 H new ATOM 0 HD13 LEU A 85 -7.442 15.212 -0.410 1.00 4.13 H new ATOM 0 HD21 LEU A 85 -4.859 14.462 -1.911 1.00 40.41 H new ATOM 0 HD22 LEU A 85 -6.452 14.593 -2.693 1.00 40.41 H new ATOM 0 HD23 LEU A 85 -5.077 15.540 -3.310 1.00 40.41 H new ATOM 1345 N TYR A 86 -6.426 18.207 -4.915 1.00 34.03 N ATOM 1346 CA TYR A 86 -5.904 18.109 -6.274 1.00 63.25 C ATOM 1347 C TYR A 86 -5.011 19.301 -6.602 1.00 23.14 C ATOM 1348 O TYR A 86 -3.929 19.143 -7.169 1.00 42.45 O ATOM 1349 CB TYR A 86 -7.055 18.026 -7.278 1.00 33.03 C ATOM 1350 CG TYR A 86 -6.633 18.299 -8.705 1.00 10.11 C ATOM 1351 CD1 TYR A 86 -5.852 17.389 -9.406 1.00 62.32 C ATOM 1352 CD2 TYR A 86 -7.017 19.467 -9.352 1.00 20.44 C ATOM 1353 CE1 TYR A 86 -5.464 17.634 -10.709 1.00 61.05 C ATOM 1354 CE2 TYR A 86 -6.635 19.721 -10.655 1.00 32.55 C ATOM 1355 CZ TYR A 86 -5.858 18.800 -11.329 1.00 42.44 C ATOM 1356 OH TYR A 86 -5.475 19.049 -12.627 1.00 60.41 O ATOM 0 H TYR A 86 -7.419 17.990 -4.827 1.00 34.03 H new ATOM 0 HA TYR A 86 -5.305 17.201 -6.342 1.00 63.25 H new ATOM 0 HB2 TYR A 86 -7.503 17.034 -7.224 1.00 33.03 H new ATOM 0 HB3 TYR A 86 -7.827 18.740 -6.993 1.00 33.03 H new ATOM 0 HD1 TYR A 86 -5.543 16.474 -8.924 1.00 62.32 H new ATOM 0 HD2 TYR A 86 -7.625 20.189 -8.827 1.00 20.44 H new ATOM 0 HE1 TYR A 86 -4.855 16.916 -11.239 1.00 61.05 H new ATOM 0 HE2 TYR A 86 -6.942 20.634 -11.143 1.00 32.55 H new ATOM 0 HH TYR A 86 -5.837 19.913 -12.915 1.00 60.41 H new ATOM 1366 N CYS A 87 -5.472 20.494 -6.242 1.00 24.32 N ATOM 1367 CA CYS A 87 -4.717 21.715 -6.498 1.00 60.11 C ATOM 1368 C CYS A 87 -3.343 21.652 -5.838 1.00 41.11 C ATOM 1369 O CYS A 87 -2.327 21.944 -6.466 1.00 14.24 O ATOM 1370 CB CYS A 87 -5.487 22.933 -5.986 1.00 23.15 C ATOM 1371 SG CYS A 87 -6.608 23.662 -7.203 1.00 31.30 S ATOM 0 H CYS A 87 -6.365 20.641 -5.772 1.00 24.32 H new ATOM 0 HA CYS A 87 -4.579 21.809 -7.575 1.00 60.11 H new ATOM 0 HB2 CYS A 87 -6.062 22.643 -5.106 1.00 23.15 H new ATOM 0 HB3 CYS A 87 -4.774 23.692 -5.665 1.00 23.15 H new ATOM 0 HG CYS A 87 -7.787 23.129 -7.081 1.00 31.30 H new ATOM 1377 N VAL A 88 -3.321 21.271 -4.565 1.00 65.04 N ATOM 1378 CA VAL A 88 -2.072 21.170 -3.818 1.00 45.41 C ATOM 1379 C VAL A 88 -1.065 20.289 -4.548 1.00 15.13 C ATOM 1380 O VAL A 88 0.114 20.629 -4.648 1.00 32.24 O ATOM 1381 CB VAL A 88 -2.307 20.601 -2.406 1.00 41.53 C ATOM 1382 CG1 VAL A 88 -0.993 20.496 -1.647 1.00 34.44 C ATOM 1383 CG2 VAL A 88 -3.303 21.462 -1.644 1.00 2.10 C ATOM 0 H VAL A 88 -4.154 21.027 -4.029 1.00 65.04 H new ATOM 0 HA VAL A 88 -1.672 22.180 -3.732 1.00 45.41 H new ATOM 0 HB VAL A 88 -2.725 19.599 -2.502 1.00 41.53 H new ATOM 0 HG11 VAL A 88 -1.179 20.092 -0.652 1.00 34.44 H new ATOM 0 HG12 VAL A 88 -0.314 19.835 -2.186 1.00 34.44 H new ATOM 0 HG13 VAL A 88 -0.544 21.485 -1.559 1.00 34.44 H new ATOM 0 HG21 VAL A 88 -3.457 21.045 -0.649 1.00 2.10 H new ATOM 0 HG22 VAL A 88 -2.915 22.477 -1.557 1.00 2.10 H new ATOM 0 HG23 VAL A 88 -4.252 21.482 -2.180 1.00 2.10 H new ATOM 1393 N HIS A 89 -1.538 19.156 -5.057 1.00 74.10 N ATOM 1394 CA HIS A 89 -0.678 18.224 -5.780 1.00 10.33 C ATOM 1395 C HIS A 89 -0.083 18.887 -7.019 1.00 1.14 C ATOM 1396 O HIS A 89 1.065 18.572 -7.331 1.00 32.43 O ATOM 1397 CB HIS A 89 -1.467 16.978 -6.184 1.00 51.30 C ATOM 1398 CG HIS A 89 -1.639 15.992 -5.069 1.00 44.20 C ATOM 1399 ND1 HIS A 89 -0.608 15.608 -4.238 1.00 62.00 N ATOM 1400 CD2 HIS A 89 -2.732 15.312 -4.650 1.00 70.11 C ATOM 1401 CE1 HIS A 89 -1.059 14.734 -3.356 1.00 63.12 C ATOM 1402 NE2 HIS A 89 -2.346 14.537 -3.585 1.00 55.23 N ATOM 0 H HIS A 89 -2.511 18.861 -4.983 1.00 74.10 H new ATOM 0 HA HIS A 89 0.137 17.930 -5.118 1.00 10.33 H new ATOM 0 HB2 HIS A 89 -2.450 17.281 -6.545 1.00 51.30 H new ATOM 0 HB3 HIS A 89 -0.959 16.489 -7.015 1.00 51.30 H new ATOM 0 HD1 HIS A 89 0.353 15.946 -4.295 1.00 62.00 H new ATOM 0 HD2 HIS A 89 -3.723 15.369 -5.075 1.00 70.11 H new ATOM 0 HE1 HIS A 89 -0.476 14.261 -2.580 1.00 63.12 H new ATOM 0 HE2 HIS A 89 -2.953 13.911 -3.056 1.00 55.23 H new ATOM 1411 N GLN A 90 -0.806 19.764 -7.709 1.00 62.01 N ATOM 1412 CA GLN A 90 -0.279 20.420 -8.899 1.00 43.44 C ATOM 1413 C GLN A 90 0.459 21.703 -8.531 1.00 70.03 C ATOM 1414 O GLN A 90 0.544 22.634 -9.333 1.00 50.00 O ATOM 1415 CB GLN A 90 -1.412 20.733 -9.879 1.00 74.40 C ATOM 1416 CG GLN A 90 -1.064 20.428 -11.327 1.00 64.31 C ATOM 1417 CD GLN A 90 -1.048 21.669 -12.197 1.00 44.15 C ATOM 1418 OE1 GLN A 90 -1.620 21.564 -13.390 1.00 5.10 O flip ATOM 1419 NE2 GLN A 90 -0.526 22.712 -11.801 1.00 24.04 N flip ATOM 0 H GLN A 90 -1.758 20.036 -7.464 1.00 62.01 H new ATOM 0 HA GLN A 90 0.427 19.740 -9.376 1.00 43.44 H new ATOM 0 HB2 GLN A 90 -2.294 20.159 -9.597 1.00 74.40 H new ATOM 0 HB3 GLN A 90 -1.676 21.787 -9.792 1.00 74.40 H new ATOM 0 HG2 GLN A 90 -0.087 19.947 -11.368 1.00 64.31 H new ATOM 0 HG3 GLN A 90 -1.786 19.717 -11.728 1.00 64.31 H new ATOM 0 HE21 GLN A 90 -0.097 22.749 -10.876 1.00 24.04 H new ATOM 0 HE22 GLN A 90 -0.522 23.539 -12.398 1.00 24.04 H new ATOM 1428 N ARG A 91 0.992 21.745 -7.314 1.00 12.23 N ATOM 1429 CA ARG A 91 1.721 22.915 -6.840 1.00 55.43 C ATOM 1430 C ARG A 91 0.852 24.166 -6.916 1.00 60.14 C ATOM 1431 O ARG A 91 1.337 25.253 -7.231 1.00 5.13 O ATOM 1432 CB ARG A 91 2.995 23.116 -7.663 1.00 41.42 C ATOM 1433 CG ARG A 91 4.136 22.199 -7.253 1.00 35.15 C ATOM 1434 CD ARG A 91 4.396 21.131 -8.304 1.00 63.22 C ATOM 1435 NE ARG A 91 5.788 20.689 -8.303 1.00 74.12 N ATOM 1436 CZ ARG A 91 6.789 21.413 -8.791 1.00 71.23 C ATOM 1437 NH1 ARG A 91 6.553 22.607 -9.316 1.00 15.33 N ATOM 1438 NH2 ARG A 91 8.030 20.942 -8.753 1.00 42.11 N ATOM 0 H ARG A 91 0.933 20.983 -6.639 1.00 12.23 H new ATOM 0 HA ARG A 91 1.992 22.745 -5.798 1.00 55.43 H new ATOM 0 HB2 ARG A 91 2.767 22.950 -8.716 1.00 41.42 H new ATOM 0 HB3 ARG A 91 3.320 24.152 -7.567 1.00 41.42 H new ATOM 0 HG2 ARG A 91 5.040 22.788 -7.099 1.00 35.15 H new ATOM 0 HG3 ARG A 91 3.899 21.724 -6.301 1.00 35.15 H new ATOM 0 HD2 ARG A 91 3.744 20.277 -8.121 1.00 63.22 H new ATOM 0 HD3 ARG A 91 4.141 21.522 -9.289 1.00 63.22 H new ATOM 0 HE ARG A 91 6.003 19.774 -7.906 1.00 74.12 H new ATOM 0 HH11 ARG A 91 5.601 22.972 -9.346 1.00 15.33 H new ATOM 0 HH12 ARG A 91 7.323 23.161 -9.690 1.00 15.33 H new ATOM 0 HH21 ARG A 91 8.215 20.024 -8.349 1.00 42.11 H new ATOM 0 HH22 ARG A 91 8.798 21.498 -9.128 1.00 42.11 H new ATOM 1452 N ILE A 92 -0.434 24.004 -6.625 1.00 44.25 N ATOM 1453 CA ILE A 92 -1.371 25.121 -6.659 1.00 41.30 C ATOM 1454 C ILE A 92 -1.791 25.531 -5.251 1.00 72.43 C ATOM 1455 O ILE A 92 -2.307 24.717 -4.484 1.00 4.22 O ATOM 1456 CB ILE A 92 -2.630 24.775 -7.477 1.00 62.24 C ATOM 1457 CG1 ILE A 92 -2.238 24.260 -8.863 1.00 45.41 C ATOM 1458 CG2 ILE A 92 -3.536 25.991 -7.593 1.00 22.32 C ATOM 1459 CD1 ILE A 92 -3.406 23.723 -9.660 1.00 32.34 C ATOM 0 H ILE A 92 -0.851 23.111 -6.363 1.00 44.25 H new ATOM 0 HA ILE A 92 -0.853 25.952 -7.137 1.00 41.30 H new ATOM 0 HB ILE A 92 -3.177 23.987 -6.960 1.00 62.24 H new ATOM 0 HG12 ILE A 92 -1.768 25.069 -9.423 1.00 45.41 H new ATOM 0 HG13 ILE A 92 -1.492 23.473 -8.752 1.00 45.41 H new ATOM 0 HG21 ILE A 92 -4.421 25.731 -8.174 1.00 22.32 H new ATOM 0 HG22 ILE A 92 -3.838 26.316 -6.597 1.00 22.32 H new ATOM 0 HG23 ILE A 92 -2.999 26.798 -8.091 1.00 22.32 H new ATOM 0 HD11 ILE A 92 -3.054 23.375 -10.631 1.00 32.34 H new ATOM 0 HD12 ILE A 92 -3.863 22.893 -9.121 1.00 32.34 H new ATOM 0 HD13 ILE A 92 -4.143 24.513 -9.802 1.00 32.34 H new ATOM 1471 N ASP A 93 -1.566 26.797 -4.918 1.00 11.31 N ATOM 1472 CA ASP A 93 -1.923 27.317 -3.603 1.00 23.21 C ATOM 1473 C ASP A 93 -3.182 28.174 -3.681 1.00 64.33 C ATOM 1474 O ASP A 93 -3.241 29.141 -4.440 1.00 43.32 O ATOM 1475 CB ASP A 93 -0.768 28.136 -3.024 1.00 64.32 C ATOM 1476 CG ASP A 93 0.361 27.263 -2.510 1.00 25.13 C ATOM 1477 OD1 ASP A 93 0.520 26.137 -3.025 1.00 34.31 O ATOM 1478 OD2 ASP A 93 1.084 27.707 -1.595 1.00 41.13 O ATOM 0 H ASP A 93 -1.138 27.482 -5.540 1.00 11.31 H new ATOM 0 HA ASP A 93 -2.122 26.470 -2.946 1.00 23.21 H new ATOM 0 HB2 ASP A 93 -0.383 28.808 -3.791 1.00 64.32 H new ATOM 0 HB3 ASP A 93 -1.140 28.759 -2.211 1.00 64.32 H new ATOM 1483 N VAL A 94 -4.189 27.811 -2.891 1.00 15.45 N ATOM 1484 CA VAL A 94 -5.447 28.547 -2.870 1.00 22.04 C ATOM 1485 C VAL A 94 -5.684 29.192 -1.510 1.00 64.42 C ATOM 1486 O VAL A 94 -5.366 28.612 -0.471 1.00 63.21 O ATOM 1487 CB VAL A 94 -6.638 27.630 -3.206 1.00 10.54 C ATOM 1488 CG1 VAL A 94 -6.443 26.978 -4.567 1.00 52.40 C ATOM 1489 CG2 VAL A 94 -6.823 26.580 -2.123 1.00 70.51 C ATOM 0 H VAL A 94 -4.157 27.012 -2.258 1.00 15.45 H new ATOM 0 HA VAL A 94 -5.371 29.326 -3.629 1.00 22.04 H new ATOM 0 HB VAL A 94 -7.542 28.238 -3.248 1.00 10.54 H new ATOM 0 HG11 VAL A 94 -7.294 26.334 -4.787 1.00 52.40 H new ATOM 0 HG12 VAL A 94 -6.365 27.750 -5.332 1.00 52.40 H new ATOM 0 HG13 VAL A 94 -5.530 26.382 -4.558 1.00 52.40 H new ATOM 0 HG21 VAL A 94 -7.669 25.941 -2.377 1.00 70.51 H new ATOM 0 HG22 VAL A 94 -5.920 25.974 -2.046 1.00 70.51 H new ATOM 0 HG23 VAL A 94 -7.013 27.071 -1.169 1.00 70.51 H new ATOM 1499 N LYS A 95 -6.246 30.396 -1.521 1.00 62.51 N ATOM 1500 CA LYS A 95 -6.529 31.122 -0.288 1.00 34.54 C ATOM 1501 C LYS A 95 -7.562 30.380 0.554 1.00 23.34 C ATOM 1502 O LYS A 95 -7.480 30.364 1.782 1.00 72.53 O ATOM 1503 CB LYS A 95 -7.031 32.532 -0.605 1.00 32.35 C ATOM 1504 CG LYS A 95 -6.418 33.608 0.274 1.00 72.35 C ATOM 1505 CD LYS A 95 -7.068 34.960 0.037 1.00 4.04 C ATOM 1506 CE LYS A 95 -6.457 35.669 -1.163 1.00 44.12 C ATOM 1507 NZ LYS A 95 -6.649 37.145 -1.091 1.00 31.34 N ATOM 0 H LYS A 95 -6.515 30.890 -2.372 1.00 62.51 H new ATOM 0 HA LYS A 95 -5.603 31.193 0.283 1.00 34.54 H new ATOM 0 HB2 LYS A 95 -6.814 32.760 -1.649 1.00 32.35 H new ATOM 0 HB3 LYS A 95 -8.115 32.557 -0.492 1.00 32.35 H new ATOM 0 HG2 LYS A 95 -6.528 33.329 1.322 1.00 72.35 H new ATOM 0 HG3 LYS A 95 -5.349 33.677 0.073 1.00 72.35 H new ATOM 0 HD2 LYS A 95 -8.138 34.828 -0.123 1.00 4.04 H new ATOM 0 HD3 LYS A 95 -6.953 35.581 0.925 1.00 4.04 H new ATOM 0 HE2 LYS A 95 -5.392 35.443 -1.215 1.00 44.12 H new ATOM 0 HE3 LYS A 95 -6.909 35.288 -2.079 1.00 44.12 H new ATOM 0 HZ1 LYS A 95 -6.219 37.592 -1.926 1.00 31.34 H new ATOM 0 HZ2 LYS A 95 -7.666 37.362 -1.067 1.00 31.34 H new ATOM 0 HZ3 LYS A 95 -6.196 37.512 -0.230 1.00 31.34 H new ATOM 1521 N ASP A 96 -8.534 29.768 -0.114 1.00 30.43 N ATOM 1522 CA ASP A 96 -9.582 29.023 0.573 1.00 63.33 C ATOM 1523 C ASP A 96 -10.237 28.014 -0.365 1.00 15.14 C ATOM 1524 O ASP A 96 -9.978 28.010 -1.569 1.00 5.55 O ATOM 1525 CB ASP A 96 -10.637 29.980 1.129 1.00 3.30 C ATOM 1526 CG ASP A 96 -11.049 31.036 0.122 1.00 73.01 C ATOM 1527 OD1 ASP A 96 -11.615 30.666 -0.928 1.00 44.21 O ATOM 1528 OD2 ASP A 96 -10.805 32.232 0.384 1.00 4.30 O ATOM 0 H ASP A 96 -8.618 29.773 -1.131 1.00 30.43 H new ATOM 0 HA ASP A 96 -9.124 28.479 1.399 1.00 63.33 H new ATOM 0 HB2 ASP A 96 -11.515 29.411 1.434 1.00 3.30 H new ATOM 0 HB3 ASP A 96 -10.247 30.467 2.023 1.00 3.30 H new ATOM 1533 N THR A 97 -11.085 27.157 0.193 1.00 63.24 N ATOM 1534 CA THR A 97 -11.775 26.142 -0.592 1.00 32.11 C ATOM 1535 C THR A 97 -12.713 26.778 -1.612 1.00 54.50 C ATOM 1536 O THR A 97 -13.209 26.109 -2.517 1.00 34.05 O ATOM 1537 CB THR A 97 -12.584 25.188 0.307 1.00 44.13 C ATOM 1538 OG1 THR A 97 -11.749 24.672 1.349 1.00 71.14 O ATOM 1539 CG2 THR A 97 -13.161 24.038 -0.504 1.00 0.22 C ATOM 0 H THR A 97 -11.311 27.146 1.188 1.00 63.24 H new ATOM 0 HA THR A 97 -11.007 25.572 -1.115 1.00 32.11 H new ATOM 0 HB THR A 97 -13.408 25.750 0.747 1.00 44.13 H new ATOM 0 HG1 THR A 97 -11.651 23.703 1.240 1.00 71.14 H new ATOM 0 HG21 THR A 97 -13.728 23.378 0.153 1.00 0.22 H new ATOM 0 HG22 THR A 97 -13.819 24.433 -1.278 1.00 0.22 H new ATOM 0 HG23 THR A 97 -12.350 23.478 -0.969 1.00 0.22 H new ATOM 1547 N LYS A 98 -12.952 28.076 -1.458 1.00 13.23 N ATOM 1548 CA LYS A 98 -13.828 28.806 -2.367 1.00 63.33 C ATOM 1549 C LYS A 98 -13.098 29.167 -3.656 1.00 53.31 C ATOM 1550 O LYS A 98 -13.665 29.087 -4.745 1.00 23.50 O ATOM 1551 CB LYS A 98 -14.353 30.075 -1.693 1.00 43.32 C ATOM 1552 CG LYS A 98 -15.852 30.060 -1.450 1.00 53.02 C ATOM 1553 CD LYS A 98 -16.473 31.423 -1.706 1.00 30.41 C ATOM 1554 CE LYS A 98 -16.474 31.764 -3.188 1.00 51.00 C ATOM 1555 NZ LYS A 98 -16.176 33.204 -3.426 1.00 60.10 N ATOM 0 H LYS A 98 -12.551 28.644 -0.712 1.00 13.23 H new ATOM 0 HA LYS A 98 -14.669 28.160 -2.617 1.00 63.33 H new ATOM 0 HB2 LYS A 98 -13.840 30.209 -0.740 1.00 43.32 H new ATOM 0 HB3 LYS A 98 -14.103 30.936 -2.313 1.00 43.32 H new ATOM 0 HG2 LYS A 98 -16.319 29.319 -2.099 1.00 53.02 H new ATOM 0 HG3 LYS A 98 -16.052 29.755 -0.423 1.00 53.02 H new ATOM 0 HD2 LYS A 98 -17.495 31.435 -1.328 1.00 30.41 H new ATOM 0 HD3 LYS A 98 -15.921 32.185 -1.156 1.00 30.41 H new ATOM 0 HE2 LYS A 98 -15.735 31.150 -3.702 1.00 51.00 H new ATOM 0 HE3 LYS A 98 -17.446 31.519 -3.617 1.00 51.00 H new ATOM 0 HZ1 LYS A 98 -16.186 33.396 -4.448 1.00 60.10 H new ATOM 0 HZ2 LYS A 98 -16.896 33.790 -2.957 1.00 60.10 H new ATOM 0 HZ3 LYS A 98 -15.238 33.433 -3.040 1.00 60.10 H new ATOM 1569 N GLU A 99 -11.835 29.563 -3.524 1.00 20.43 N ATOM 1570 CA GLU A 99 -11.027 29.935 -4.680 1.00 23.02 C ATOM 1571 C GLU A 99 -10.848 28.749 -5.624 1.00 52.24 C ATOM 1572 O GLU A 99 -11.394 28.731 -6.726 1.00 60.24 O ATOM 1573 CB GLU A 99 -9.660 30.454 -4.229 1.00 3.44 C ATOM 1574 CG GLU A 99 -8.812 31.002 -5.365 1.00 24.31 C ATOM 1575 CD GLU A 99 -7.777 32.002 -4.889 1.00 10.32 C ATOM 1576 OE1 GLU A 99 -6.741 31.571 -4.343 1.00 31.31 O ATOM 1577 OE2 GLU A 99 -8.003 33.217 -5.065 1.00 0.52 O ATOM 0 H GLU A 99 -11.350 29.634 -2.629 1.00 20.43 H new ATOM 0 HA GLU A 99 -11.549 30.727 -5.216 1.00 23.02 H new ATOM 0 HB2 GLU A 99 -9.805 31.237 -3.485 1.00 3.44 H new ATOM 0 HB3 GLU A 99 -9.117 29.646 -3.739 1.00 3.44 H new ATOM 0 HG2 GLU A 99 -8.309 30.177 -5.869 1.00 24.31 H new ATOM 0 HG3 GLU A 99 -9.460 31.478 -6.101 1.00 24.31 H new ATOM 1584 N ALA A 100 -10.078 27.760 -5.181 1.00 1.01 N ATOM 1585 CA ALA A 100 -9.826 26.570 -5.983 1.00 11.32 C ATOM 1586 C ALA A 100 -11.094 26.110 -6.695 1.00 61.11 C ATOM 1587 O ALA A 100 -11.052 25.697 -7.855 1.00 65.44 O ATOM 1588 CB ALA A 100 -9.273 25.452 -5.112 1.00 5.10 C ATOM 0 H ALA A 100 -9.618 27.760 -4.271 1.00 1.01 H new ATOM 0 HA ALA A 100 -9.085 26.824 -6.741 1.00 11.32 H new ATOM 0 HB1 ALA A 100 -9.090 24.570 -5.725 1.00 5.10 H new ATOM 0 HB2 ALA A 100 -8.338 25.776 -4.654 1.00 5.10 H new ATOM 0 HB3 ALA A 100 -9.994 25.208 -4.332 1.00 5.10 H new ATOM 1594 N LEU A 101 -12.221 26.185 -5.994 1.00 33.53 N ATOM 1595 CA LEU A 101 -13.502 25.775 -6.560 1.00 71.31 C ATOM 1596 C LEU A 101 -13.787 26.522 -7.858 1.00 61.11 C ATOM 1597 O LEU A 101 -14.024 25.909 -8.900 1.00 73.03 O ATOM 1598 CB LEU A 101 -14.627 26.025 -5.555 1.00 43.31 C ATOM 1599 CG LEU A 101 -15.704 24.942 -5.469 1.00 11.44 C ATOM 1600 CD1 LEU A 101 -16.364 24.737 -6.824 1.00 1.30 C ATOM 1601 CD2 LEU A 101 -15.108 23.637 -4.962 1.00 53.23 C ATOM 0 H LEU A 101 -12.274 26.526 -5.034 1.00 33.53 H new ATOM 0 HA LEU A 101 -13.451 24.709 -6.781 1.00 71.31 H new ATOM 0 HB2 LEU A 101 -14.184 26.147 -4.567 1.00 43.31 H new ATOM 0 HB3 LEU A 101 -15.109 26.969 -5.807 1.00 43.31 H new ATOM 0 HG LEU A 101 -16.466 25.270 -4.762 1.00 11.44 H new ATOM 0 HD11 LEU A 101 -17.127 23.963 -6.744 1.00 1.30 H new ATOM 0 HD12 LEU A 101 -16.826 25.670 -7.149 1.00 1.30 H new ATOM 0 HD13 LEU A 101 -15.613 24.431 -7.552 1.00 1.30 H new ATOM 0 HD21 LEU A 101 -15.888 22.878 -4.907 1.00 53.23 H new ATOM 0 HD22 LEU A 101 -14.326 23.305 -5.645 1.00 53.23 H new ATOM 0 HD23 LEU A 101 -14.682 23.792 -3.971 1.00 53.23 H new ATOM 1613 N ASP A 102 -13.763 27.849 -7.789 1.00 33.52 N ATOM 1614 CA ASP A 102 -14.016 28.680 -8.960 1.00 22.23 C ATOM 1615 C ASP A 102 -12.863 28.585 -9.954 1.00 15.33 C ATOM 1616 O ASP A 102 -13.026 28.866 -11.142 1.00 61.24 O ATOM 1617 CB ASP A 102 -14.227 30.136 -8.543 1.00 64.13 C ATOM 1618 CG ASP A 102 -15.528 30.339 -7.791 1.00 51.14 C ATOM 1619 OD1 ASP A 102 -16.387 29.435 -7.836 1.00 60.22 O ATOM 1620 OD2 ASP A 102 -15.687 31.405 -7.157 1.00 74.45 O ATOM 0 H ASP A 102 -13.571 28.372 -6.934 1.00 33.52 H new ATOM 0 HA ASP A 102 -14.921 28.314 -9.445 1.00 22.23 H new ATOM 0 HB2 ASP A 102 -13.395 30.456 -7.916 1.00 64.13 H new ATOM 0 HB3 ASP A 102 -14.220 30.770 -9.430 1.00 64.13 H new ATOM 1625 N LYS A 103 -11.694 28.189 -9.460 1.00 32.24 N ATOM 1626 CA LYS A 103 -10.512 28.057 -10.304 1.00 74.33 C ATOM 1627 C LYS A 103 -10.589 26.793 -11.155 1.00 61.54 C ATOM 1628 O LYS A 103 -10.035 26.739 -12.252 1.00 31.42 O ATOM 1629 CB LYS A 103 -9.247 28.028 -9.443 1.00 53.44 C ATOM 1630 CG LYS A 103 -8.333 29.220 -9.665 1.00 1.22 C ATOM 1631 CD LYS A 103 -7.759 29.228 -11.072 1.00 75.22 C ATOM 1632 CE LYS A 103 -6.304 29.673 -11.078 1.00 21.03 C ATOM 1633 NZ LYS A 103 -6.117 30.968 -10.368 1.00 64.02 N ATOM 0 H LYS A 103 -11.540 27.954 -8.479 1.00 32.24 H new ATOM 0 HA LYS A 103 -10.473 28.920 -10.969 1.00 74.33 H new ATOM 0 HB2 LYS A 103 -9.534 27.991 -8.392 1.00 53.44 H new ATOM 0 HB3 LYS A 103 -8.694 27.113 -9.655 1.00 53.44 H new ATOM 0 HG2 LYS A 103 -8.888 30.142 -9.492 1.00 1.22 H new ATOM 0 HG3 LYS A 103 -7.520 29.196 -8.939 1.00 1.22 H new ATOM 0 HD2 LYS A 103 -7.837 28.230 -11.504 1.00 75.22 H new ATOM 0 HD3 LYS A 103 -8.347 29.895 -11.702 1.00 75.22 H new ATOM 0 HE2 LYS A 103 -5.688 28.908 -10.606 1.00 21.03 H new ATOM 0 HE3 LYS A 103 -5.958 29.770 -12.107 1.00 21.03 H new ATOM 0 HZ1 LYS A 103 -5.206 31.387 -10.645 1.00 64.02 H new ATOM 0 HZ2 LYS A 103 -6.889 31.618 -10.622 1.00 64.02 H new ATOM 0 HZ3 LYS A 103 -6.125 30.805 -9.341 1.00 64.02 H new