USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot 150:sc= -1.44! USER MOD Set 1.2: A 97 THR OG1 : rot 97:sc= 1.78 USER MOD Set 2.1: A 86 TYR OH : rot -143:sc= 0.357 USER MOD Set 2.2: A 90 GLN : amide:sc= 0.36 K(o=0.72,f=-0.01) USER MOD Single : A 9 SER OG : rot 180:sc= -0.101 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.0645 (180deg=-0.403) 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= 0.397 F(o=-0.28,f=0.4) USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0115) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.447 K(o=0.45,f=-4.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -9:sc= -0.341! USER MOD Single : A 54 SER OG : rot -130:sc= -0.052 USER MOD Single : A 57 CYS SG : rot 140:sc= -0.41 USER MOD Single : A 59 GLN : amide:sc= -0.0156 K(o=-0.016,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 65 GLN : amide:sc= -0.0332 K(o=-0.033,f=-1.6!) USER MOD Single : A 67 SER OG : rot 111:sc= 0.554 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0948 USER MOD Single : A 77 SER OG : rot -90:sc= 1.87 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -130:sc= -0.523 USER MOD Single : A 89 HIS : no HD1:sc= -1.91! C(o=-1.9!,f=-5.9!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 5.877 6.475 -4.720 1.00 31.14 N ATOM 64 CA ARG A 7 7.170 6.375 -4.053 1.00 13.22 C ATOM 65 C ARG A 7 7.835 5.035 -4.353 1.00 13.13 C ATOM 66 O ARG A 7 9.040 4.968 -4.598 1.00 12.43 O ATOM 67 CB ARG A 7 7.002 6.547 -2.541 1.00 43.35 C ATOM 68 CG ARG A 7 7.261 7.965 -2.058 1.00 1.11 C ATOM 69 CD ARG A 7 7.516 8.004 -0.559 1.00 44.52 C ATOM 70 NE ARG A 7 8.937 7.892 -0.242 1.00 63.35 N ATOM 71 CZ ARG A 7 9.467 8.289 0.909 1.00 33.33 C ATOM 72 NH1 ARG A 7 8.697 8.819 1.849 1.00 70.20 N ATOM 73 NH2 ARG A 7 10.769 8.153 1.122 1.00 23.15 N ATOM 0 HA ARG A 7 7.810 7.171 -4.434 1.00 13.22 H new ATOM 0 HB2 ARG A 7 5.990 6.256 -2.261 1.00 43.35 H new ATOM 0 HB3 ARG A 7 7.683 5.867 -2.028 1.00 43.35 H new ATOM 0 HG2 ARG A 7 8.120 8.379 -2.585 1.00 1.11 H new ATOM 0 HG3 ARG A 7 6.405 8.595 -2.299 1.00 1.11 H new ATOM 0 HD2 ARG A 7 7.126 8.935 -0.149 1.00 44.52 H new ATOM 0 HD3 ARG A 7 6.972 7.191 -0.078 1.00 44.52 H new ATOM 0 HE ARG A 7 9.557 7.486 -0.943 1.00 63.35 H new ATOM 0 HH11 ARG A 7 7.695 8.923 1.689 1.00 70.20 H new ATOM 0 HH12 ARG A 7 9.107 9.123 2.732 1.00 70.20 H new ATOM 0 HH21 ARG A 7 11.364 7.743 0.402 1.00 23.15 H new ATOM 0 HH22 ARG A 7 11.176 8.458 2.006 1.00 23.15 H new ATOM 87 N LEU A 8 7.042 3.970 -4.330 1.00 75.30 N ATOM 88 CA LEU A 8 7.553 2.630 -4.598 1.00 72.11 C ATOM 89 C LEU A 8 7.910 2.469 -6.073 1.00 13.21 C ATOM 90 O LEU A 8 7.722 3.386 -6.871 1.00 12.31 O ATOM 91 CB LEU A 8 6.518 1.577 -4.195 1.00 41.51 C ATOM 92 CG LEU A 8 6.103 1.574 -2.723 1.00 21.32 C ATOM 93 CD1 LEU A 8 5.177 0.403 -2.432 1.00 40.42 C ATOM 94 CD2 LEU A 8 7.329 1.523 -1.823 1.00 22.41 C ATOM 0 H LEU A 8 6.043 4.008 -4.129 1.00 75.30 H new ATOM 0 HA LEU A 8 8.457 2.488 -4.006 1.00 72.11 H new ATOM 0 HB2 LEU A 8 5.625 1.722 -4.803 1.00 41.51 H new ATOM 0 HB3 LEU A 8 6.915 0.593 -4.442 1.00 41.51 H new ATOM 0 HG LEU A 8 5.563 2.498 -2.516 1.00 21.32 H new ATOM 0 HD11 LEU A 8 4.892 0.417 -1.380 1.00 40.42 H new ATOM 0 HD12 LEU A 8 4.283 0.483 -3.051 1.00 40.42 H new ATOM 0 HD13 LEU A 8 5.691 -0.532 -2.656 1.00 40.42 H new ATOM 0 HD21 LEU A 8 7.014 1.522 -0.779 1.00 22.41 H new ATOM 0 HD22 LEU A 8 7.896 0.616 -2.032 1.00 22.41 H new ATOM 0 HD23 LEU A 8 7.956 2.395 -2.012 1.00 22.41 H new ATOM 106 N SER A 9 8.425 1.296 -6.427 1.00 61.11 N ATOM 107 CA SER A 9 8.811 1.015 -7.805 1.00 73.01 C ATOM 108 C SER A 9 8.627 -0.465 -8.129 1.00 54.11 C ATOM 109 O SER A 9 8.047 -1.217 -7.346 1.00 43.53 O ATOM 110 CB SER A 9 10.265 1.424 -8.043 1.00 62.30 C ATOM 111 OG SER A 9 10.522 2.718 -7.525 1.00 64.32 O ATOM 0 H SER A 9 8.585 0.525 -5.779 1.00 61.11 H new ATOM 0 HA SER A 9 8.166 1.596 -8.463 1.00 73.01 H new ATOM 0 HB2 SER A 9 10.931 0.701 -7.572 1.00 62.30 H new ATOM 0 HB3 SER A 9 10.481 1.407 -9.111 1.00 62.30 H new ATOM 0 HG SER A 9 11.459 2.956 -7.688 1.00 64.32 H new ATOM 117 N GLY A 10 9.125 -0.876 -9.291 1.00 51.24 N ATOM 118 CA GLY A 10 9.006 -2.263 -9.701 1.00 4.13 C ATOM 119 C GLY A 10 9.454 -3.226 -8.620 1.00 25.03 C ATOM 120 O GLY A 10 8.824 -4.260 -8.400 1.00 5.31 O ATOM 0 H GLY A 10 9.609 -0.273 -9.956 1.00 51.24 H new ATOM 0 HA2 GLY A 10 7.969 -2.473 -9.964 1.00 4.13 H new ATOM 0 HA3 GLY A 10 9.602 -2.426 -10.599 1.00 4.13 H new ATOM 124 N GLY A 11 10.548 -2.888 -7.945 1.00 23.23 N ATOM 125 CA GLY A 11 11.064 -3.742 -6.891 1.00 31.34 C ATOM 126 C GLY A 11 10.037 -4.008 -5.807 1.00 60.51 C ATOM 127 O GLY A 11 9.693 -5.160 -5.540 1.00 15.41 O ATOM 0 H GLY A 11 11.087 -2.038 -8.109 1.00 23.23 H new ATOM 0 HA2 GLY A 11 11.388 -4.690 -7.321 1.00 31.34 H new ATOM 0 HA3 GLY A 11 11.944 -3.276 -6.448 1.00 31.34 H new ATOM 131 N GLU A 12 9.551 -2.943 -5.180 1.00 1.32 N ATOM 132 CA GLU A 12 8.560 -3.068 -4.117 1.00 71.44 C ATOM 133 C GLU A 12 7.222 -3.544 -4.675 1.00 31.40 C ATOM 134 O GLU A 12 6.411 -4.132 -3.957 1.00 14.12 O ATOM 135 CB GLU A 12 8.379 -1.729 -3.399 1.00 33.11 C ATOM 136 CG GLU A 12 8.561 -1.817 -1.892 1.00 74.52 C ATOM 137 CD GLU A 12 9.659 -0.905 -1.384 1.00 23.14 C ATOM 138 OE1 GLU A 12 10.800 -1.017 -1.880 1.00 14.33 O ATOM 139 OE2 GLU A 12 9.379 -0.081 -0.489 1.00 53.42 O ATOM 0 H GLU A 12 9.827 -1.983 -5.389 1.00 1.32 H new ATOM 0 HA GLU A 12 8.921 -3.809 -3.403 1.00 71.44 H new ATOM 0 HB2 GLU A 12 9.093 -1.011 -3.802 1.00 33.11 H new ATOM 0 HB3 GLU A 12 7.383 -1.342 -3.614 1.00 33.11 H new ATOM 0 HG2 GLU A 12 7.623 -1.559 -1.401 1.00 74.52 H new ATOM 0 HG3 GLU A 12 8.792 -2.846 -1.617 1.00 74.52 H new ATOM 146 N LEU A 13 6.997 -3.286 -5.959 1.00 32.05 N ATOM 147 CA LEU A 13 5.757 -3.688 -6.614 1.00 13.04 C ATOM 148 C LEU A 13 5.637 -5.207 -6.670 1.00 61.40 C ATOM 149 O LEU A 13 4.537 -5.751 -6.753 1.00 54.15 O ATOM 150 CB LEU A 13 5.693 -3.107 -8.028 1.00 2.31 C ATOM 151 CG LEU A 13 4.422 -3.411 -8.821 1.00 62.21 C ATOM 152 CD1 LEU A 13 3.214 -2.758 -8.167 1.00 44.14 C ATOM 153 CD2 LEU A 13 4.568 -2.944 -10.262 1.00 30.13 C ATOM 0 H LEU A 13 7.657 -2.800 -6.567 1.00 32.05 H new ATOM 0 HA LEU A 13 4.924 -3.299 -6.029 1.00 13.04 H new ATOM 0 HB2 LEU A 13 5.805 -2.025 -7.960 1.00 2.31 H new ATOM 0 HB3 LEU A 13 6.547 -3.481 -8.592 1.00 2.31 H new ATOM 0 HG LEU A 13 4.268 -4.490 -8.823 1.00 62.21 H new ATOM 0 HD11 LEU A 13 2.319 -2.986 -8.746 1.00 44.14 H new ATOM 0 HD12 LEU A 13 3.098 -3.141 -7.153 1.00 44.14 H new ATOM 0 HD13 LEU A 13 3.358 -1.678 -8.132 1.00 44.14 H new ATOM 0 HD21 LEU A 13 3.654 -3.169 -10.812 1.00 30.13 H new ATOM 0 HD22 LEU A 13 4.747 -1.869 -10.280 1.00 30.13 H new ATOM 0 HD23 LEU A 13 5.408 -3.460 -10.728 1.00 30.13 H new ATOM 165 N ASP A 14 6.777 -5.887 -6.622 1.00 23.43 N ATOM 166 CA ASP A 14 6.801 -7.344 -6.663 1.00 60.31 C ATOM 167 C ASP A 14 6.131 -7.935 -5.427 1.00 3.30 C ATOM 168 O ASP A 14 5.403 -8.923 -5.515 1.00 35.35 O ATOM 169 CB ASP A 14 8.242 -7.850 -6.769 1.00 15.24 C ATOM 170 CG ASP A 14 8.430 -8.827 -7.911 1.00 64.13 C ATOM 171 OD1 ASP A 14 7.912 -9.960 -7.814 1.00 25.30 O ATOM 172 OD2 ASP A 14 9.095 -8.460 -8.903 1.00 60.30 O ATOM 0 H ASP A 14 7.697 -5.452 -6.555 1.00 23.43 H new ATOM 0 HA ASP A 14 6.245 -7.666 -7.544 1.00 60.31 H new ATOM 0 HB2 ASP A 14 8.913 -7.002 -6.906 1.00 15.24 H new ATOM 0 HB3 ASP A 14 8.525 -8.331 -5.833 1.00 15.24 H new ATOM 177 N LYS A 15 6.382 -7.322 -4.275 1.00 14.12 N ATOM 178 CA LYS A 15 5.804 -7.785 -3.019 1.00 53.05 C ATOM 179 C LYS A 15 4.395 -7.230 -2.831 1.00 45.33 C ATOM 180 O LYS A 15 3.511 -7.915 -2.318 1.00 22.33 O ATOM 181 CB LYS A 15 6.688 -7.370 -1.841 1.00 45.44 C ATOM 182 CG LYS A 15 7.605 -8.476 -1.350 1.00 11.42 C ATOM 183 CD LYS A 15 7.220 -8.939 0.045 1.00 21.54 C ATOM 184 CE LYS A 15 8.129 -10.059 0.531 1.00 64.04 C ATOM 185 NZ LYS A 15 9.333 -9.531 1.230 1.00 33.43 N ATOM 0 H LYS A 15 6.983 -6.502 -4.185 1.00 14.12 H new ATOM 0 HA LYS A 15 5.746 -8.873 -3.055 1.00 53.05 H new ATOM 0 HB2 LYS A 15 7.293 -6.512 -2.136 1.00 45.44 H new ATOM 0 HB3 LYS A 15 6.052 -7.044 -1.018 1.00 45.44 H new ATOM 0 HG2 LYS A 15 7.562 -9.319 -2.039 1.00 11.42 H new ATOM 0 HG3 LYS A 15 8.635 -8.121 -1.345 1.00 11.42 H new ATOM 0 HD2 LYS A 15 7.275 -8.098 0.737 1.00 21.54 H new ATOM 0 HD3 LYS A 15 6.186 -9.283 0.043 1.00 21.54 H new ATOM 0 HE2 LYS A 15 7.574 -10.711 1.206 1.00 64.04 H new ATOM 0 HE3 LYS A 15 8.440 -10.669 -0.317 1.00 64.04 H new ATOM 0 HZ1 LYS A 15 9.927 -10.324 1.546 1.00 33.43 H new ATOM 0 HZ2 LYS A 15 9.877 -8.929 0.579 1.00 33.43 H new ATOM 0 HZ3 LYS A 15 9.038 -8.970 2.054 1.00 33.43 H new ATOM 199 N TRP A 16 4.195 -5.986 -3.251 1.00 33.31 N ATOM 200 CA TRP A 16 2.893 -5.340 -3.130 1.00 34.34 C ATOM 201 C TRP A 16 1.832 -6.099 -3.920 1.00 41.43 C ATOM 202 O TRP A 16 0.686 -6.212 -3.487 1.00 62.51 O ATOM 203 CB TRP A 16 2.971 -3.893 -3.619 1.00 11.14 C ATOM 204 CG TRP A 16 1.639 -3.208 -3.665 1.00 32.41 C ATOM 205 CD1 TRP A 16 1.010 -2.713 -4.772 1.00 1.30 C ATOM 206 CD2 TRP A 16 0.772 -2.942 -2.556 1.00 63.03 C ATOM 207 NE1 TRP A 16 -0.194 -2.155 -4.417 1.00 74.02 N ATOM 208 CE2 TRP A 16 -0.365 -2.284 -3.065 1.00 3.12 C ATOM 209 CE3 TRP A 16 0.845 -3.198 -1.185 1.00 1.22 C ATOM 210 CZ2 TRP A 16 -1.417 -1.878 -2.248 1.00 65.20 C ATOM 211 CZ3 TRP A 16 -0.199 -2.794 -0.376 1.00 31.44 C ATOM 212 CH2 TRP A 16 -1.318 -2.141 -0.909 1.00 34.31 C ATOM 0 H TRP A 16 4.917 -5.405 -3.678 1.00 33.31 H new ATOM 0 HA TRP A 16 2.609 -5.346 -2.078 1.00 34.34 H new ATOM 0 HB2 TRP A 16 3.638 -3.331 -2.964 1.00 11.14 H new ATOM 0 HB3 TRP A 16 3.414 -3.877 -4.615 1.00 11.14 H new ATOM 0 HD1 TRP A 16 1.401 -2.754 -5.778 1.00 1.30 H new ATOM 0 HE1 TRP A 16 -0.854 -1.715 -5.058 1.00 74.02 H new ATOM 0 HE3 TRP A 16 1.702 -3.703 -0.765 1.00 1.22 H new ATOM 0 HZ2 TRP A 16 -2.280 -1.374 -2.657 1.00 65.20 H new ATOM 0 HZ3 TRP A 16 -0.152 -2.985 0.686 1.00 31.44 H new ATOM 0 HH2 TRP A 16 -2.118 -1.839 -0.250 1.00 34.31 H new ATOM 223 N GLU A 17 2.223 -6.616 -5.081 1.00 61.04 N ATOM 224 CA GLU A 17 1.304 -7.364 -5.931 1.00 50.11 C ATOM 225 C GLU A 17 1.264 -8.835 -5.527 1.00 14.20 C ATOM 226 O GLU A 17 0.486 -9.620 -6.071 1.00 42.21 O ATOM 227 CB GLU A 17 1.715 -7.238 -7.400 1.00 10.21 C ATOM 228 CG GLU A 17 1.438 -5.867 -7.994 1.00 22.03 C ATOM 229 CD GLU A 17 1.195 -5.918 -9.489 1.00 62.31 C ATOM 230 OE1 GLU A 17 2.122 -6.314 -10.227 1.00 31.41 O ATOM 231 OE2 GLU A 17 0.080 -5.562 -9.923 1.00 11.44 O ATOM 0 H GLU A 17 3.169 -6.531 -5.454 1.00 61.04 H new ATOM 0 HA GLU A 17 0.307 -6.943 -5.803 1.00 50.11 H new ATOM 0 HB2 GLU A 17 2.779 -7.456 -7.491 1.00 10.21 H new ATOM 0 HB3 GLU A 17 1.185 -7.991 -7.983 1.00 10.21 H new ATOM 0 HG2 GLU A 17 0.568 -5.431 -7.503 1.00 22.03 H new ATOM 0 HG3 GLU A 17 2.282 -5.209 -7.789 1.00 22.03 H new ATOM 238 N LYS A 18 2.108 -9.203 -4.569 1.00 23.14 N ATOM 239 CA LYS A 18 2.171 -10.578 -4.090 1.00 12.11 C ATOM 240 C LYS A 18 1.050 -10.860 -3.095 1.00 14.34 C ATOM 241 O LYS A 18 0.760 -12.015 -2.781 1.00 42.42 O ATOM 242 CB LYS A 18 3.528 -10.852 -3.437 1.00 13.41 C ATOM 243 CG LYS A 18 3.842 -12.330 -3.284 1.00 12.54 C ATOM 244 CD LYS A 18 5.275 -12.639 -3.682 1.00 11.22 C ATOM 245 CE LYS A 18 5.551 -14.134 -3.652 1.00 60.12 C ATOM 246 NZ LYS A 18 4.684 -14.878 -4.607 1.00 53.21 N ATOM 0 H LYS A 18 2.759 -8.567 -4.109 1.00 23.14 H new ATOM 0 HA LYS A 18 2.047 -11.240 -4.947 1.00 12.11 H new ATOM 0 HB2 LYS A 18 4.310 -10.383 -4.034 1.00 13.41 H new ATOM 0 HB3 LYS A 18 3.551 -10.381 -2.454 1.00 13.41 H new ATOM 0 HG2 LYS A 18 3.677 -12.633 -2.250 1.00 12.54 H new ATOM 0 HG3 LYS A 18 3.158 -12.914 -3.900 1.00 12.54 H new ATOM 0 HD2 LYS A 18 5.467 -12.252 -4.683 1.00 11.22 H new ATOM 0 HD3 LYS A 18 5.960 -12.128 -3.006 1.00 11.22 H new ATOM 0 HE2 LYS A 18 6.598 -14.315 -3.896 1.00 60.12 H new ATOM 0 HE3 LYS A 18 5.388 -14.513 -2.643 1.00 60.12 H new ATOM 0 HZ1 LYS A 18 5.082 -15.824 -4.773 1.00 53.21 H new ATOM 0 HZ2 LYS A 18 3.728 -14.970 -4.209 1.00 53.21 H new ATOM 0 HZ3 LYS A 18 4.635 -14.360 -5.508 1.00 53.21 H new ATOM 260 N ILE A 19 0.422 -9.797 -2.602 1.00 31.03 N ATOM 261 CA ILE A 19 -0.668 -9.931 -1.644 1.00 2.30 C ATOM 262 C ILE A 19 -2.013 -10.042 -2.354 1.00 22.03 C ATOM 263 O ILE A 19 -2.343 -9.224 -3.214 1.00 24.35 O ATOM 264 CB ILE A 19 -0.712 -8.739 -0.670 1.00 12.51 C ATOM 265 CG1 ILE A 19 0.640 -8.570 0.026 1.00 63.33 C ATOM 266 CG2 ILE A 19 -1.820 -8.931 0.354 1.00 2.43 C ATOM 267 CD1 ILE A 19 1.273 -7.215 -0.202 1.00 72.42 C ATOM 0 H ILE A 19 0.650 -8.834 -2.850 1.00 31.03 H new ATOM 0 HA ILE A 19 -0.481 -10.844 -1.079 1.00 2.30 H new ATOM 0 HB ILE A 19 -0.923 -7.833 -1.239 1.00 12.51 H new ATOM 0 HG12 ILE A 19 0.510 -8.725 1.097 1.00 63.33 H new ATOM 0 HG13 ILE A 19 1.321 -9.344 -0.328 1.00 63.33 H new ATOM 0 HG21 ILE A 19 -1.838 -8.080 1.035 1.00 2.43 H new ATOM 0 HG22 ILE A 19 -2.779 -9.006 -0.158 1.00 2.43 H new ATOM 0 HG23 ILE A 19 -1.638 -9.845 0.920 1.00 2.43 H new ATOM 0 HD11 ILE A 19 2.228 -7.167 0.321 1.00 72.42 H new ATOM 0 HD12 ILE A 19 1.435 -7.064 -1.269 1.00 72.42 H new ATOM 0 HD13 ILE A 19 0.612 -6.436 0.178 1.00 72.42 H new ATOM 279 N ARG A 20 -2.787 -11.058 -1.988 1.00 31.41 N ATOM 280 CA ARG A 20 -4.097 -11.276 -2.590 1.00 32.54 C ATOM 281 C ARG A 20 -5.187 -10.567 -1.791 1.00 33.34 C ATOM 282 O ARG A 20 -5.235 -10.664 -0.564 1.00 13.34 O ATOM 283 CB ARG A 20 -4.402 -12.774 -2.670 1.00 64.05 C ATOM 284 CG ARG A 20 -3.718 -13.472 -3.834 1.00 32.33 C ATOM 285 CD ARG A 20 -2.371 -14.048 -3.425 1.00 14.14 C ATOM 286 NE ARG A 20 -2.003 -15.206 -4.234 1.00 45.23 N ATOM 287 CZ ARG A 20 -0.755 -15.647 -4.361 1.00 51.32 C ATOM 288 NH1 ARG A 20 0.236 -15.029 -3.735 1.00 23.15 N ATOM 289 NH2 ARG A 20 -0.499 -16.707 -5.117 1.00 23.25 N ATOM 0 H ARG A 20 -2.530 -11.743 -1.278 1.00 31.41 H new ATOM 0 HA ARG A 20 -4.080 -10.861 -3.598 1.00 32.54 H new ATOM 0 HB2 ARG A 20 -4.093 -13.250 -1.739 1.00 64.05 H new ATOM 0 HB3 ARG A 20 -5.480 -12.913 -2.756 1.00 64.05 H new ATOM 0 HG2 ARG A 20 -4.358 -14.271 -4.207 1.00 32.33 H new ATOM 0 HG3 ARG A 20 -3.579 -12.766 -4.653 1.00 32.33 H new ATOM 0 HD2 ARG A 20 -1.604 -13.280 -3.522 1.00 14.14 H new ATOM 0 HD3 ARG A 20 -2.404 -14.336 -2.374 1.00 14.14 H new ATOM 0 HE ARG A 20 -2.743 -15.704 -4.729 1.00 45.23 H new ATOM 0 HH11 ARG A 20 0.042 -14.213 -3.154 1.00 23.15 H new ATOM 0 HH12 ARG A 20 1.193 -15.369 -3.834 1.00 23.15 H new ATOM 0 HH21 ARG A 20 -1.260 -17.184 -5.601 1.00 23.25 H new ATOM 0 HH22 ARG A 20 0.458 -17.045 -5.214 1.00 23.25 H new ATOM 303 N LEU A 21 -6.060 -9.855 -2.494 1.00 42.23 N ATOM 304 CA LEU A 21 -7.149 -9.128 -1.852 1.00 42.42 C ATOM 305 C LEU A 21 -8.041 -10.076 -1.057 1.00 14.13 C ATOM 306 O LEU A 21 -8.406 -9.790 0.084 1.00 60.10 O ATOM 307 CB LEU A 21 -7.981 -8.385 -2.900 1.00 25.15 C ATOM 308 CG LEU A 21 -7.296 -7.201 -3.584 1.00 70.21 C ATOM 309 CD1 LEU A 21 -8.074 -6.776 -4.819 1.00 74.10 C ATOM 310 CD2 LEU A 21 -7.151 -6.037 -2.615 1.00 52.10 C ATOM 0 H LEU A 21 -6.035 -9.765 -3.510 1.00 42.23 H new ATOM 0 HA LEU A 21 -6.714 -8.404 -1.163 1.00 42.42 H new ATOM 0 HB2 LEU A 21 -8.282 -9.098 -3.668 1.00 25.15 H new ATOM 0 HB3 LEU A 21 -8.893 -8.026 -2.423 1.00 25.15 H new ATOM 0 HG LEU A 21 -6.300 -7.513 -3.897 1.00 70.21 H new ATOM 0 HD11 LEU A 21 -7.572 -5.932 -5.293 1.00 74.10 H new ATOM 0 HD12 LEU A 21 -8.126 -7.608 -5.521 1.00 74.10 H new ATOM 0 HD13 LEU A 21 -9.083 -6.482 -4.530 1.00 74.10 H new ATOM 0 HD21 LEU A 21 -6.662 -5.203 -3.118 1.00 52.10 H new ATOM 0 HD22 LEU A 21 -8.137 -5.725 -2.271 1.00 52.10 H new ATOM 0 HD23 LEU A 21 -6.550 -6.348 -1.760 1.00 52.10 H new ATOM 322 N ARG A 22 -8.387 -11.205 -1.666 1.00 10.14 N ATOM 323 CA ARG A 22 -9.236 -12.196 -1.014 1.00 42.23 C ATOM 324 C ARG A 22 -8.408 -13.380 -0.521 1.00 53.32 C ATOM 325 O ARG A 22 -7.255 -13.566 -0.907 1.00 64.24 O ATOM 326 CB ARG A 22 -10.319 -12.683 -1.978 1.00 72.13 C ATOM 327 CG ARG A 22 -11.678 -12.043 -1.740 1.00 64.15 C ATOM 328 CD ARG A 22 -12.742 -12.645 -2.644 1.00 73.33 C ATOM 329 NE ARG A 22 -13.309 -11.657 -3.557 1.00 40.13 N ATOM 330 CZ ARG A 22 -14.237 -10.775 -3.203 1.00 21.21 C ATOM 331 NH1 ARG A 22 -14.701 -10.759 -1.961 1.00 31.35 N ATOM 332 NH2 ARG A 22 -14.703 -9.906 -4.091 1.00 74.52 N ATOM 0 H ARG A 22 -8.093 -11.457 -2.610 1.00 10.14 H new ATOM 0 HA ARG A 22 -9.711 -11.723 -0.154 1.00 42.23 H new ATOM 0 HB2 ARG A 22 -10.003 -12.476 -3.001 1.00 72.13 H new ATOM 0 HB3 ARG A 22 -10.415 -13.765 -1.887 1.00 72.13 H new ATOM 0 HG2 ARG A 22 -11.967 -12.176 -0.697 1.00 64.15 H new ATOM 0 HG3 ARG A 22 -11.612 -10.970 -1.918 1.00 64.15 H new ATOM 0 HD2 ARG A 22 -12.308 -13.463 -3.219 1.00 73.33 H new ATOM 0 HD3 ARG A 22 -13.537 -13.072 -2.033 1.00 73.33 H new ATOM 0 HE ARG A 22 -12.974 -11.643 -4.520 1.00 40.13 H new ATOM 0 HH11 ARG A 22 -14.345 -11.425 -1.275 1.00 31.35 H new ATOM 0 HH12 ARG A 22 -15.414 -10.081 -1.691 1.00 31.35 H new ATOM 0 HH21 ARG A 22 -14.349 -9.915 -5.047 1.00 74.52 H new ATOM 0 HH22 ARG A 22 -15.416 -9.230 -3.817 1.00 74.52 H new ATOM 346 N PRO A 23 -9.011 -14.197 0.354 1.00 35.54 N ATOM 347 CA PRO A 23 -8.349 -15.377 0.920 1.00 43.04 C ATOM 348 C PRO A 23 -8.142 -16.477 -0.116 1.00 24.35 C ATOM 349 O PRO A 23 -7.036 -16.996 -0.271 1.00 72.35 O ATOM 350 CB PRO A 23 -9.321 -15.842 2.007 1.00 61.51 C ATOM 351 CG PRO A 23 -10.651 -15.335 1.569 1.00 10.30 C ATOM 352 CD PRO A 23 -10.384 -14.035 0.860 1.00 74.23 C ATOM 0 HA PRO A 23 -7.351 -15.146 1.293 1.00 43.04 H new ATOM 0 HB2 PRO A 23 -9.322 -16.928 2.099 1.00 61.51 H new ATOM 0 HB3 PRO A 23 -9.046 -15.440 2.982 1.00 61.51 H new ATOM 0 HG2 PRO A 23 -11.142 -16.048 0.906 1.00 10.30 H new ATOM 0 HG3 PRO A 23 -11.312 -15.186 2.422 1.00 10.30 H new ATOM 0 HD2 PRO A 23 -11.093 -13.866 0.050 1.00 74.23 H new ATOM 0 HD3 PRO A 23 -10.465 -13.184 1.537 1.00 74.23 H new ATOM 360 N GLY A 24 -9.211 -16.829 -0.822 1.00 40.14 N ATOM 361 CA GLY A 24 -9.124 -17.865 -1.834 1.00 52.01 C ATOM 362 C GLY A 24 -9.112 -17.302 -3.242 1.00 4.43 C ATOM 363 O GLY A 24 -8.541 -17.901 -4.152 1.00 75.30 O ATOM 0 H GLY A 24 -10.137 -16.415 -0.711 1.00 40.14 H new ATOM 0 HA2 GLY A 24 -8.219 -18.451 -1.673 1.00 52.01 H new ATOM 0 HA3 GLY A 24 -9.968 -18.546 -1.726 1.00 52.01 H new ATOM 367 N GLY A 25 -9.742 -16.145 -3.421 1.00 32.14 N ATOM 368 CA GLY A 25 -9.790 -15.521 -4.730 1.00 34.32 C ATOM 369 C GLY A 25 -8.414 -15.355 -5.344 1.00 14.44 C ATOM 370 O GLY A 25 -7.401 -15.629 -4.700 1.00 34.31 O ATOM 0 H GLY A 25 -10.220 -15.629 -2.683 1.00 32.14 H new ATOM 0 HA2 GLY A 25 -10.410 -16.123 -5.394 1.00 34.32 H new ATOM 0 HA3 GLY A 25 -10.267 -14.545 -4.646 1.00 34.32 H new ATOM 374 N LYS A 26 -8.376 -14.903 -6.592 1.00 40.42 N ATOM 375 CA LYS A 26 -7.115 -14.699 -7.295 1.00 21.32 C ATOM 376 C LYS A 26 -6.823 -13.212 -7.467 1.00 23.40 C ATOM 377 O LYS A 26 -5.949 -12.827 -8.245 1.00 4.32 O ATOM 378 CB LYS A 26 -7.153 -15.385 -8.663 1.00 23.22 C ATOM 379 CG LYS A 26 -5.861 -16.100 -9.020 1.00 0.24 C ATOM 380 CD LYS A 26 -5.832 -16.499 -10.486 1.00 44.21 C ATOM 381 CE LYS A 26 -4.931 -17.702 -10.718 1.00 40.12 C ATOM 382 NZ LYS A 26 -5.278 -18.421 -11.975 1.00 41.53 N ATOM 0 H LYS A 26 -9.205 -14.670 -7.139 1.00 40.42 H new ATOM 0 HA LYS A 26 -6.318 -15.141 -6.697 1.00 21.32 H new ATOM 0 HB2 LYS A 26 -7.972 -16.104 -8.677 1.00 23.22 H new ATOM 0 HB3 LYS A 26 -7.370 -14.640 -9.428 1.00 23.22 H new ATOM 0 HG2 LYS A 26 -5.013 -15.451 -8.802 1.00 0.24 H new ATOM 0 HG3 LYS A 26 -5.752 -16.988 -8.398 1.00 0.24 H new ATOM 0 HD2 LYS A 26 -6.843 -16.730 -10.821 1.00 44.21 H new ATOM 0 HD3 LYS A 26 -5.481 -15.659 -11.086 1.00 44.21 H new ATOM 0 HE2 LYS A 26 -3.892 -17.375 -10.762 1.00 40.12 H new ATOM 0 HE3 LYS A 26 -5.014 -18.386 -9.874 1.00 40.12 H new ATOM 0 HZ1 LYS A 26 -4.641 -19.234 -12.097 1.00 41.53 H new ATOM 0 HZ2 LYS A 26 -6.261 -18.756 -11.923 1.00 41.53 H new ATOM 0 HZ3 LYS A 26 -5.174 -17.776 -12.784 1.00 41.53 H new ATOM 396 N LYS A 27 -7.556 -12.381 -6.736 1.00 10.25 N ATOM 397 CA LYS A 27 -7.374 -10.936 -6.806 1.00 11.43 C ATOM 398 C LYS A 27 -6.200 -10.493 -5.939 1.00 11.12 C ATOM 399 O LYS A 27 -5.920 -11.095 -4.903 1.00 54.02 O ATOM 400 CB LYS A 27 -8.650 -10.218 -6.359 1.00 33.32 C ATOM 401 CG LYS A 27 -9.842 -10.478 -7.264 1.00 0.24 C ATOM 402 CD LYS A 27 -10.858 -9.350 -7.184 1.00 53.03 C ATOM 403 CE LYS A 27 -10.950 -8.589 -8.498 1.00 41.33 C ATOM 404 NZ LYS A 27 -11.699 -9.356 -9.533 1.00 13.24 N ATOM 0 H LYS A 27 -8.283 -12.683 -6.087 1.00 10.25 H new ATOM 0 HA LYS A 27 -7.159 -10.672 -7.841 1.00 11.43 H new ATOM 0 HB2 LYS A 27 -8.898 -10.533 -5.345 1.00 33.32 H new ATOM 0 HB3 LYS A 27 -8.460 -9.145 -6.322 1.00 33.32 H new ATOM 0 HG2 LYS A 27 -9.501 -10.590 -8.293 1.00 0.24 H new ATOM 0 HG3 LYS A 27 -10.317 -11.418 -6.981 1.00 0.24 H new ATOM 0 HD2 LYS A 27 -11.836 -9.757 -6.929 1.00 53.03 H new ATOM 0 HD3 LYS A 27 -10.580 -8.664 -6.384 1.00 53.03 H new ATOM 0 HE2 LYS A 27 -11.442 -7.631 -8.329 1.00 41.33 H new ATOM 0 HE3 LYS A 27 -9.946 -8.372 -8.863 1.00 41.33 H new ATOM 0 HZ1 LYS A 27 -11.739 -8.803 -10.413 1.00 13.24 H new ATOM 0 HZ2 LYS A 27 -11.216 -10.259 -9.713 1.00 13.24 H new ATOM 0 HZ3 LYS A 27 -12.665 -9.541 -9.196 1.00 13.24 H new ATOM 418 N GLN A 28 -5.517 -9.437 -6.370 1.00 31.31 N ATOM 419 CA GLN A 28 -4.373 -8.914 -5.632 1.00 73.41 C ATOM 420 C GLN A 28 -4.415 -7.391 -5.571 1.00 20.41 C ATOM 421 O GLN A 28 -5.411 -6.772 -5.945 1.00 34.10 O ATOM 422 CB GLN A 28 -3.067 -9.376 -6.281 1.00 15.42 C ATOM 423 CG GLN A 28 -2.942 -10.887 -6.389 1.00 12.55 C ATOM 424 CD GLN A 28 -2.092 -11.319 -7.567 1.00 61.41 C ATOM 425 OE1 GLN A 28 -2.486 -12.411 -8.213 1.00 71.25 O flip ATOM 426 NE2 GLN A 28 -1.093 -10.679 -7.895 1.00 33.25 N flip ATOM 0 H GLN A 28 -5.736 -8.927 -7.226 1.00 31.31 H new ATOM 0 HA GLN A 28 -4.421 -9.301 -4.614 1.00 73.41 H new ATOM 0 HB2 GLN A 28 -2.993 -8.942 -7.278 1.00 15.42 H new ATOM 0 HB3 GLN A 28 -2.227 -8.991 -5.702 1.00 15.42 H new ATOM 0 HG2 GLN A 28 -2.507 -11.279 -5.469 1.00 12.55 H new ATOM 0 HG3 GLN A 28 -3.936 -11.324 -6.483 1.00 12.55 H new ATOM 0 HE21 GLN A 28 -0.826 -9.846 -7.371 1.00 33.25 H new ATOM 0 HE22 GLN A 28 -0.532 -10.982 -8.691 1.00 33.25 H new ATOM 435 N TYR A 29 -3.327 -6.793 -5.099 1.00 32.54 N ATOM 436 CA TYR A 29 -3.240 -5.342 -4.987 1.00 21.45 C ATOM 437 C TYR A 29 -2.471 -4.750 -6.163 1.00 52.13 C ATOM 438 O TYR A 29 -1.594 -5.395 -6.737 1.00 33.25 O ATOM 439 CB TYR A 29 -2.562 -4.951 -3.672 1.00 72.22 C ATOM 440 CG TYR A 29 -3.471 -5.053 -2.468 1.00 71.14 C ATOM 441 CD1 TYR A 29 -4.296 -3.996 -2.104 1.00 4.01 C ATOM 442 CD2 TYR A 29 -3.505 -6.207 -1.695 1.00 13.35 C ATOM 443 CE1 TYR A 29 -5.128 -4.085 -1.004 1.00 3.32 C ATOM 444 CE2 TYR A 29 -4.336 -6.305 -0.594 1.00 64.15 C ATOM 445 CZ TYR A 29 -5.144 -5.240 -0.253 1.00 74.52 C ATOM 446 OH TYR A 29 -5.971 -5.335 0.843 1.00 2.51 O ATOM 0 H TYR A 29 -2.493 -7.291 -4.788 1.00 32.54 H new ATOM 0 HA TYR A 29 -4.253 -4.941 -5.000 1.00 21.45 H new ATOM 0 HB2 TYR A 29 -1.694 -5.591 -3.516 1.00 72.22 H new ATOM 0 HB3 TYR A 29 -2.194 -3.928 -3.753 1.00 72.22 H new ATOM 0 HD1 TYR A 29 -4.287 -3.089 -2.691 1.00 4.01 H new ATOM 0 HD2 TYR A 29 -2.872 -7.041 -1.958 1.00 13.35 H new ATOM 0 HE1 TYR A 29 -5.762 -3.253 -0.735 1.00 3.32 H new ATOM 0 HE2 TYR A 29 -4.352 -7.210 -0.005 1.00 64.15 H new ATOM 0 HH TYR A 29 -6.238 -6.269 0.971 1.00 2.51 H new ATOM 456 N LYS A 30 -2.808 -3.515 -6.519 1.00 62.15 N ATOM 457 CA LYS A 30 -2.150 -2.831 -7.628 1.00 31.34 C ATOM 458 C LYS A 30 -1.939 -1.355 -7.307 1.00 13.10 C ATOM 459 O LYS A 30 -2.445 -0.848 -6.304 1.00 50.04 O ATOM 460 CB LYS A 30 -2.979 -2.973 -8.905 1.00 71.54 C ATOM 461 CG LYS A 30 -2.275 -3.750 -10.004 1.00 25.14 C ATOM 462 CD LYS A 30 -2.630 -3.216 -11.381 1.00 70.22 C ATOM 463 CE LYS A 30 -3.847 -3.925 -11.957 1.00 3.21 C ATOM 464 NZ LYS A 30 -5.120 -3.342 -11.448 1.00 24.33 N ATOM 0 H LYS A 30 -3.533 -2.967 -6.056 1.00 62.15 H new ATOM 0 HA LYS A 30 -1.175 -3.294 -7.782 1.00 31.34 H new ATOM 0 HB2 LYS A 30 -3.919 -3.470 -8.665 1.00 71.54 H new ATOM 0 HB3 LYS A 30 -3.230 -1.980 -9.277 1.00 71.54 H new ATOM 0 HG2 LYS A 30 -1.196 -3.692 -9.858 1.00 25.14 H new ATOM 0 HG3 LYS A 30 -2.550 -4.803 -9.939 1.00 25.14 H new ATOM 0 HD2 LYS A 30 -2.827 -2.146 -11.318 1.00 70.22 H new ATOM 0 HD3 LYS A 30 -1.781 -3.345 -12.052 1.00 70.22 H new ATOM 0 HE2 LYS A 30 -3.826 -3.858 -13.045 1.00 3.21 H new ATOM 0 HE3 LYS A 30 -3.805 -4.984 -11.702 1.00 3.21 H new ATOM 0 HZ1 LYS A 30 -5.925 -3.806 -11.914 1.00 24.33 H new ATOM 0 HZ2 LYS A 30 -5.183 -3.489 -10.420 1.00 24.33 H new ATOM 0 HZ3 LYS A 30 -5.142 -2.323 -11.653 1.00 24.33 H new ATOM 478 N LEU A 31 -1.192 -0.669 -8.165 1.00 31.54 N ATOM 479 CA LEU A 31 -0.916 0.751 -7.974 1.00 65.03 C ATOM 480 C LEU A 31 -2.205 1.528 -7.727 1.00 11.02 C ATOM 481 O LEU A 31 -2.213 2.522 -7.000 1.00 72.41 O ATOM 482 CB LEU A 31 -0.192 1.318 -9.197 1.00 3.24 C ATOM 483 CG LEU A 31 1.212 1.872 -8.948 1.00 72.11 C ATOM 484 CD1 LEU A 31 1.164 3.021 -7.952 1.00 60.43 C ATOM 485 CD2 LEU A 31 2.139 0.772 -8.452 1.00 11.13 C ATOM 0 H LEU A 31 -0.767 -1.073 -9.000 1.00 31.54 H new ATOM 0 HA LEU A 31 -0.276 0.857 -7.098 1.00 65.03 H new ATOM 0 HB2 LEU A 31 -0.123 0.533 -9.950 1.00 3.24 H new ATOM 0 HB3 LEU A 31 -0.805 2.113 -9.621 1.00 3.24 H new ATOM 0 HG LEU A 31 1.604 2.252 -9.891 1.00 72.11 H new ATOM 0 HD11 LEU A 31 2.172 3.402 -7.787 1.00 60.43 H new ATOM 0 HD12 LEU A 31 0.534 3.818 -8.347 1.00 60.43 H new ATOM 0 HD13 LEU A 31 0.751 2.667 -7.007 1.00 60.43 H new ATOM 0 HD21 LEU A 31 3.133 1.184 -8.280 1.00 11.13 H new ATOM 0 HD22 LEU A 31 1.750 0.361 -7.520 1.00 11.13 H new ATOM 0 HD23 LEU A 31 2.198 -0.019 -9.200 1.00 11.13 H new ATOM 497 N LYS A 32 -3.293 1.067 -8.334 1.00 32.23 N ATOM 498 CA LYS A 32 -4.590 1.715 -8.176 1.00 44.24 C ATOM 499 C LYS A 32 -4.866 2.031 -6.710 1.00 51.54 C ATOM 500 O LYS A 32 -5.468 3.056 -6.388 1.00 1.52 O ATOM 501 CB LYS A 32 -5.701 0.823 -8.736 1.00 44.21 C ATOM 502 CG LYS A 32 -6.920 1.595 -9.208 1.00 63.24 C ATOM 503 CD LYS A 32 -7.578 0.921 -10.401 1.00 55.03 C ATOM 504 CE LYS A 32 -8.832 0.163 -9.991 1.00 60.13 C ATOM 505 NZ LYS A 32 -9.454 -0.545 -11.144 1.00 33.02 N ATOM 0 H LYS A 32 -3.303 0.247 -8.940 1.00 32.23 H new ATOM 0 HA LYS A 32 -4.570 2.652 -8.733 1.00 44.24 H new ATOM 0 HB2 LYS A 32 -5.304 0.242 -9.569 1.00 44.21 H new ATOM 0 HB3 LYS A 32 -6.006 0.112 -7.968 1.00 44.21 H new ATOM 0 HG2 LYS A 32 -7.639 1.676 -8.393 1.00 63.24 H new ATOM 0 HG3 LYS A 32 -6.627 2.610 -9.478 1.00 63.24 H new ATOM 0 HD2 LYS A 32 -7.833 1.671 -11.149 1.00 55.03 H new ATOM 0 HD3 LYS A 32 -6.872 0.234 -10.867 1.00 55.03 H new ATOM 0 HE2 LYS A 32 -8.582 -0.559 -9.214 1.00 60.13 H new ATOM 0 HE3 LYS A 32 -9.552 0.859 -9.560 1.00 60.13 H new ATOM 0 HZ1 LYS A 32 -10.305 -1.049 -10.824 1.00 33.02 H new ATOM 0 HZ2 LYS A 32 -9.716 0.146 -11.876 1.00 33.02 H new ATOM 0 HZ3 LYS A 32 -8.776 -1.227 -11.539 1.00 33.02 H new ATOM 519 N HIS A 33 -4.422 1.145 -5.824 1.00 72.44 N ATOM 520 CA HIS A 33 -4.621 1.330 -4.391 1.00 64.45 C ATOM 521 C HIS A 33 -3.580 2.289 -3.819 1.00 53.01 C ATOM 522 O HIS A 33 -3.989 3.207 -3.108 1.00 51.24 O ATOM 523 CB HIS A 33 -4.545 -0.014 -3.666 1.00 62.52 C ATOM 524 CG HIS A 33 -5.426 -1.068 -4.264 1.00 43.12 C ATOM 525 ND1 HIS A 33 -4.935 -2.175 -4.924 1.00 33.34 N ATOM 526 CD2 HIS A 33 -6.774 -1.179 -4.299 1.00 12.43 C ATOM 527 CE1 HIS A 33 -5.943 -2.921 -5.338 1.00 1.44 C ATOM 528 NE2 HIS A 33 -7.071 -2.338 -4.971 1.00 63.52 N ATOM 0 H HIS A 33 -3.922 0.292 -6.073 1.00 72.44 H new ATOM 0 HA HIS A 33 -5.611 1.761 -4.239 1.00 64.45 H new ATOM 0 HB2 HIS A 33 -3.513 -0.365 -3.677 1.00 62.52 H new ATOM 0 HB3 HIS A 33 -4.822 0.130 -2.622 1.00 62.52 H new ATOM 0 HD2 HIS A 33 -7.485 -0.484 -3.876 1.00 12.43 H new ATOM 0 HE1 HIS A 33 -5.860 -3.849 -5.884 1.00 1.44 H new ATOM 0 HE2 HIS A 33 -8.009 -2.692 -5.157 1.00 63.52 H new ATOM 536 N ILE A 34 -2.295 2.107 -4.099 1.00 62.24 N ATOM 537 CA ILE A 34 -1.266 2.998 -3.577 1.00 64.15 C ATOM 538 C ILE A 34 -1.604 4.457 -3.865 1.00 34.42 C ATOM 539 O ILE A 34 -1.274 5.348 -3.082 1.00 25.21 O ATOM 540 CB ILE A 34 0.116 2.676 -4.177 1.00 30.54 C ATOM 541 CG1 ILE A 34 0.568 1.278 -3.747 1.00 23.30 C ATOM 542 CG2 ILE A 34 1.135 3.722 -3.751 1.00 65.12 C ATOM 543 CD1 ILE A 34 1.195 0.476 -4.866 1.00 62.41 C ATOM 0 H ILE A 34 -1.941 1.351 -4.684 1.00 62.24 H new ATOM 0 HA ILE A 34 -1.231 2.841 -2.499 1.00 64.15 H new ATOM 0 HB ILE A 34 0.038 2.695 -5.264 1.00 30.54 H new ATOM 0 HG12 ILE A 34 1.285 1.371 -2.932 1.00 23.30 H new ATOM 0 HG13 ILE A 34 -0.290 0.732 -3.356 1.00 23.30 H new ATOM 0 HG21 ILE A 34 2.106 3.481 -4.183 1.00 65.12 H new ATOM 0 HG22 ILE A 34 0.816 4.704 -4.101 1.00 65.12 H new ATOM 0 HG23 ILE A 34 1.214 3.732 -2.664 1.00 65.12 H new ATOM 0 HD11 ILE A 34 1.491 -0.503 -4.490 1.00 62.41 H new ATOM 0 HD12 ILE A 34 0.473 0.351 -5.673 1.00 62.41 H new ATOM 0 HD13 ILE A 34 2.073 1.001 -5.242 1.00 62.41 H new ATOM 555 N VAL A 35 -2.266 4.694 -4.992 1.00 70.03 N ATOM 556 CA VAL A 35 -2.653 6.044 -5.382 1.00 43.02 C ATOM 557 C VAL A 35 -3.930 6.477 -4.673 1.00 1.25 C ATOM 558 O VAL A 35 -3.982 7.544 -4.061 1.00 43.45 O ATOM 559 CB VAL A 35 -2.864 6.150 -6.904 1.00 40.14 C ATOM 560 CG1 VAL A 35 -3.345 7.543 -7.282 1.00 21.53 C ATOM 561 CG2 VAL A 35 -1.582 5.801 -7.645 1.00 63.04 C ATOM 0 H VAL A 35 -2.546 3.968 -5.652 1.00 70.03 H new ATOM 0 HA VAL A 35 -1.836 6.704 -5.088 1.00 43.02 H new ATOM 0 HB VAL A 35 -3.633 5.435 -7.197 1.00 40.14 H new ATOM 0 HG11 VAL A 35 -3.488 7.598 -8.361 1.00 21.53 H new ATOM 0 HG12 VAL A 35 -4.290 7.751 -6.779 1.00 21.53 H new ATOM 0 HG13 VAL A 35 -2.602 8.280 -6.977 1.00 21.53 H new ATOM 0 HG21 VAL A 35 -1.749 5.881 -8.719 1.00 63.04 H new ATOM 0 HG22 VAL A 35 -0.791 6.490 -7.349 1.00 63.04 H new ATOM 0 HG23 VAL A 35 -1.286 4.781 -7.399 1.00 63.04 H new ATOM 571 N TRP A 36 -4.959 5.642 -4.756 1.00 72.13 N ATOM 572 CA TRP A 36 -6.238 5.938 -4.120 1.00 71.05 C ATOM 573 C TRP A 36 -6.057 6.197 -2.628 1.00 74.24 C ATOM 574 O TRP A 36 -6.633 7.134 -2.077 1.00 64.35 O ATOM 575 CB TRP A 36 -7.218 4.784 -4.336 1.00 60.30 C ATOM 576 CG TRP A 36 -8.534 4.984 -3.646 1.00 24.34 C ATOM 577 CD1 TRP A 36 -9.566 5.772 -4.064 1.00 40.54 C ATOM 578 CD2 TRP A 36 -8.954 4.387 -2.414 1.00 12.43 C ATOM 579 NE1 TRP A 36 -10.605 5.702 -3.167 1.00 12.24 N ATOM 580 CE2 TRP A 36 -10.254 4.858 -2.147 1.00 15.01 C ATOM 581 CE3 TRP A 36 -8.361 3.499 -1.513 1.00 11.44 C ATOM 582 CZ2 TRP A 36 -10.968 4.471 -1.015 1.00 62.15 C ATOM 583 CZ3 TRP A 36 -9.070 3.117 -0.391 1.00 23.55 C ATOM 584 CH2 TRP A 36 -10.362 3.601 -0.150 1.00 35.13 C ATOM 0 H TRP A 36 -4.933 4.754 -5.258 1.00 72.13 H new ATOM 0 HA TRP A 36 -6.644 6.839 -4.579 1.00 71.05 H new ATOM 0 HB2 TRP A 36 -7.392 4.660 -5.405 1.00 60.30 H new ATOM 0 HB3 TRP A 36 -6.765 3.860 -3.977 1.00 60.30 H new ATOM 0 HD1 TRP A 36 -9.567 6.364 -4.967 1.00 40.54 H new ATOM 0 HE1 TRP A 36 -11.493 6.198 -3.248 1.00 12.24 H new ATOM 0 HE3 TRP A 36 -7.366 3.118 -1.691 1.00 11.44 H new ATOM 0 HZ2 TRP A 36 -11.964 4.844 -0.827 1.00 62.15 H new ATOM 0 HZ3 TRP A 36 -8.620 2.433 0.313 1.00 23.55 H new ATOM 0 HH2 TRP A 36 -10.890 3.281 0.736 1.00 35.13 H new ATOM 595 N ALA A 37 -5.255 5.359 -1.980 1.00 70.30 N ATOM 596 CA ALA A 37 -4.997 5.498 -0.552 1.00 62.34 C ATOM 597 C ALA A 37 -4.174 6.749 -0.262 1.00 75.45 C ATOM 598 O ALA A 37 -4.559 7.579 0.561 1.00 63.15 O ATOM 599 CB ALA A 37 -4.287 4.262 -0.021 1.00 30.14 C ATOM 0 H ALA A 37 -4.772 4.576 -2.421 1.00 70.30 H new ATOM 0 HA ALA A 37 -5.956 5.599 -0.043 1.00 62.34 H new ATOM 0 HB1 ALA A 37 -4.101 4.380 1.046 1.00 30.14 H new ATOM 0 HB2 ALA A 37 -4.912 3.384 -0.186 1.00 30.14 H new ATOM 0 HB3 ALA A 37 -3.339 4.135 -0.543 1.00 30.14 H new ATOM 605 N SER A 38 -3.040 6.877 -0.945 1.00 74.10 N ATOM 606 CA SER A 38 -2.161 8.025 -0.757 1.00 31.14 C ATOM 607 C SER A 38 -2.911 9.330 -1.005 1.00 12.53 C ATOM 608 O SER A 38 -2.645 10.344 -0.358 1.00 52.10 O ATOM 609 CB SER A 38 -0.956 7.931 -1.695 1.00 72.43 C ATOM 610 OG SER A 38 -0.044 8.989 -1.462 1.00 51.13 O ATOM 0 H SER A 38 -2.709 6.200 -1.633 1.00 74.10 H new ATOM 0 HA SER A 38 -1.811 8.017 0.275 1.00 31.14 H new ATOM 0 HB2 SER A 38 -0.453 6.975 -1.551 1.00 72.43 H new ATOM 0 HB3 SER A 38 -1.294 7.960 -2.731 1.00 72.43 H new ATOM 0 HG SER A 38 0.718 8.905 -2.073 1.00 51.13 H new ATOM 616 N ARG A 39 -3.849 9.297 -1.945 1.00 15.14 N ATOM 617 CA ARG A 39 -4.638 10.476 -2.280 1.00 1.04 C ATOM 618 C ARG A 39 -5.755 10.689 -1.263 1.00 55.51 C ATOM 619 O ARG A 39 -5.944 11.795 -0.757 1.00 52.41 O ATOM 620 CB ARG A 39 -5.230 10.339 -3.683 1.00 71.23 C ATOM 621 CG ARG A 39 -6.013 11.560 -4.137 1.00 13.34 C ATOM 622 CD ARG A 39 -6.461 11.429 -5.584 1.00 11.30 C ATOM 623 NE ARG A 39 -6.658 12.731 -6.216 1.00 40.52 N ATOM 624 CZ ARG A 39 -7.305 12.900 -7.363 1.00 43.41 C ATOM 625 NH1 ARG A 39 -7.815 11.856 -8.002 1.00 32.03 N ATOM 626 NH2 ARG A 39 -7.443 14.117 -7.875 1.00 42.34 N ATOM 0 H ARG A 39 -4.081 8.466 -2.489 1.00 15.14 H new ATOM 0 HA ARG A 39 -3.978 11.343 -2.256 1.00 1.04 H new ATOM 0 HB2 ARG A 39 -4.423 10.151 -4.392 1.00 71.23 H new ATOM 0 HB3 ARG A 39 -5.885 9.468 -3.708 1.00 71.23 H new ATOM 0 HG2 ARG A 39 -6.884 11.694 -3.496 1.00 13.34 H new ATOM 0 HG3 ARG A 39 -5.396 12.451 -4.026 1.00 13.34 H new ATOM 0 HD2 ARG A 39 -5.717 10.863 -6.144 1.00 11.30 H new ATOM 0 HD3 ARG A 39 -7.391 10.861 -5.626 1.00 11.30 H new ATOM 0 HE ARG A 39 -6.278 13.555 -5.751 1.00 40.52 H new ATOM 0 HH11 ARG A 39 -7.711 10.919 -7.613 1.00 32.03 H new ATOM 0 HH12 ARG A 39 -8.311 11.990 -8.883 1.00 32.03 H new ATOM 0 HH21 ARG A 39 -7.052 14.923 -7.387 1.00 42.34 H new ATOM 0 HH22 ARG A 39 -7.940 14.246 -8.756 1.00 42.34 H new ATOM 640 N GLU A 40 -6.495 9.624 -0.971 1.00 71.50 N ATOM 641 CA GLU A 40 -7.594 9.696 -0.016 1.00 74.03 C ATOM 642 C GLU A 40 -7.131 10.309 1.303 1.00 41.33 C ATOM 643 O GLU A 40 -7.730 11.264 1.800 1.00 5.51 O ATOM 644 CB GLU A 40 -8.174 8.303 0.234 1.00 72.31 C ATOM 645 CG GLU A 40 -9.509 8.320 0.961 1.00 64.54 C ATOM 646 CD GLU A 40 -9.355 8.192 2.464 1.00 40.14 C ATOM 647 OE1 GLU A 40 -8.218 8.339 2.958 1.00 22.24 O ATOM 648 OE2 GLU A 40 -10.372 7.945 3.146 1.00 52.31 O ATOM 0 H GLU A 40 -6.353 8.701 -1.382 1.00 71.50 H new ATOM 0 HA GLU A 40 -8.369 10.334 -0.441 1.00 74.03 H new ATOM 0 HB2 GLU A 40 -8.297 7.793 -0.722 1.00 72.31 H new ATOM 0 HB3 GLU A 40 -7.460 7.721 0.817 1.00 72.31 H new ATOM 0 HG2 GLU A 40 -10.032 9.248 0.731 1.00 64.54 H new ATOM 0 HG3 GLU A 40 -10.130 7.504 0.592 1.00 64.54 H new ATOM 655 N LEU A 41 -6.062 9.754 1.863 1.00 32.12 N ATOM 656 CA LEU A 41 -5.517 10.245 3.124 1.00 11.01 C ATOM 657 C LEU A 41 -5.250 11.746 3.054 1.00 63.31 C ATOM 658 O LEU A 41 -5.343 12.450 4.059 1.00 22.52 O ATOM 659 CB LEU A 41 -4.226 9.501 3.469 1.00 23.12 C ATOM 660 CG LEU A 41 -4.362 7.997 3.706 1.00 64.15 C ATOM 661 CD1 LEU A 41 -2.990 7.348 3.820 1.00 54.22 C ATOM 662 CD2 LEU A 41 -5.187 7.725 4.955 1.00 43.12 C ATOM 0 H LEU A 41 -5.555 8.964 1.464 1.00 32.12 H new ATOM 0 HA LEU A 41 -6.254 10.062 3.906 1.00 11.01 H new ATOM 0 HB2 LEU A 41 -3.512 9.658 2.660 1.00 23.12 H new ATOM 0 HB3 LEU A 41 -3.798 9.952 4.364 1.00 23.12 H new ATOM 0 HG LEU A 41 -4.879 7.560 2.852 1.00 64.15 H new ATOM 0 HD11 LEU A 41 -3.107 6.277 3.989 1.00 54.22 H new ATOM 0 HD12 LEU A 41 -2.432 7.511 2.898 1.00 54.22 H new ATOM 0 HD13 LEU A 41 -2.447 7.790 4.655 1.00 54.22 H new ATOM 0 HD21 LEU A 41 -5.273 6.649 5.107 1.00 43.12 H new ATOM 0 HD22 LEU A 41 -4.699 8.176 5.819 1.00 43.12 H new ATOM 0 HD23 LEU A 41 -6.181 8.155 4.835 1.00 43.12 H new ATOM 674 N GLU A 42 -4.919 12.228 1.860 1.00 64.22 N ATOM 675 CA GLU A 42 -4.640 13.644 1.660 1.00 4.53 C ATOM 676 C GLU A 42 -5.872 14.491 1.964 1.00 15.00 C ATOM 677 O GLU A 42 -5.760 15.634 2.408 1.00 33.55 O ATOM 678 CB GLU A 42 -4.176 13.898 0.224 1.00 70.45 C ATOM 679 CG GLU A 42 -3.388 15.185 0.057 1.00 45.43 C ATOM 680 CD GLU A 42 -3.915 16.051 -1.071 1.00 31.14 C ATOM 681 OE1 GLU A 42 -4.859 16.833 -0.828 1.00 65.13 O ATOM 682 OE2 GLU A 42 -3.385 15.946 -2.197 1.00 22.22 O ATOM 0 H GLU A 42 -4.838 11.659 1.018 1.00 64.22 H new ATOM 0 HA GLU A 42 -3.845 13.931 2.348 1.00 4.53 H new ATOM 0 HB2 GLU A 42 -3.560 13.060 -0.103 1.00 70.45 H new ATOM 0 HB3 GLU A 42 -5.047 13.928 -0.430 1.00 70.45 H new ATOM 0 HG2 GLU A 42 -3.420 15.750 0.989 1.00 45.43 H new ATOM 0 HG3 GLU A 42 -2.342 14.944 -0.133 1.00 45.43 H new ATOM 689 N ARG A 43 -7.049 13.921 1.722 1.00 23.03 N ATOM 690 CA ARG A 43 -8.303 14.622 1.969 1.00 23.51 C ATOM 691 C ARG A 43 -8.942 14.150 3.271 1.00 53.41 C ATOM 692 O ARG A 43 -9.770 14.849 3.857 1.00 25.12 O ATOM 693 CB ARG A 43 -9.271 14.405 0.804 1.00 22.42 C ATOM 694 CG ARG A 43 -9.353 15.585 -0.148 1.00 51.53 C ATOM 695 CD ARG A 43 -8.150 15.637 -1.077 1.00 63.12 C ATOM 696 NE ARG A 43 -7.887 16.991 -1.556 1.00 41.05 N ATOM 697 CZ ARG A 43 -7.176 17.260 -2.647 1.00 74.15 C ATOM 698 NH1 ARG A 43 -6.663 16.271 -3.367 1.00 4.51 N ATOM 699 NH2 ARG A 43 -6.980 18.518 -3.020 1.00 35.40 N ATOM 0 H ARG A 43 -7.160 12.976 1.355 1.00 23.03 H new ATOM 0 HA ARG A 43 -8.085 15.686 2.057 1.00 23.51 H new ATOM 0 HB2 ARG A 43 -8.963 13.520 0.247 1.00 22.42 H new ATOM 0 HB3 ARG A 43 -10.265 14.201 1.202 1.00 22.42 H new ATOM 0 HG2 ARG A 43 -10.267 15.515 -0.738 1.00 51.53 H new ATOM 0 HG3 ARG A 43 -9.413 16.511 0.423 1.00 51.53 H new ATOM 0 HD2 ARG A 43 -7.271 15.261 -0.554 1.00 63.12 H new ATOM 0 HD3 ARG A 43 -8.321 14.978 -1.928 1.00 63.12 H new ATOM 0 HE ARG A 43 -8.270 17.773 -1.025 1.00 41.05 H new ATOM 0 HH11 ARG A 43 -6.814 15.303 -3.084 1.00 4.51 H new ATOM 0 HH12 ARG A 43 -6.118 16.479 -4.204 1.00 4.51 H new ATOM 0 HH21 ARG A 43 -7.375 19.281 -2.470 1.00 35.40 H new ATOM 0 HH22 ARG A 43 -6.434 18.723 -3.857 1.00 35.40 H new ATOM 713 N PHE A 44 -8.555 12.960 3.717 1.00 22.24 N ATOM 714 CA PHE A 44 -9.092 12.394 4.950 1.00 12.03 C ATOM 715 C PHE A 44 -8.561 13.143 6.169 1.00 13.52 C ATOM 716 O PHE A 44 -8.999 12.908 7.295 1.00 63.34 O ATOM 717 CB PHE A 44 -8.733 10.910 5.053 1.00 5.33 C ATOM 718 CG PHE A 44 -9.822 10.071 5.658 1.00 41.30 C ATOM 719 CD1 PHE A 44 -11.068 9.991 5.057 1.00 11.33 C ATOM 720 CD2 PHE A 44 -9.599 9.361 6.827 1.00 51.41 C ATOM 721 CE1 PHE A 44 -12.072 9.221 5.613 1.00 70.23 C ATOM 722 CE2 PHE A 44 -10.599 8.588 7.387 1.00 10.42 C ATOM 723 CZ PHE A 44 -11.837 8.517 6.778 1.00 3.54 C ATOM 0 H PHE A 44 -7.872 12.369 3.244 1.00 22.24 H new ATOM 0 HA PHE A 44 -10.177 12.498 4.926 1.00 12.03 H new ATOM 0 HB2 PHE A 44 -8.503 10.530 4.058 1.00 5.33 H new ATOM 0 HB3 PHE A 44 -7.828 10.804 5.652 1.00 5.33 H new ATOM 0 HD1 PHE A 44 -11.257 10.536 4.144 1.00 11.33 H new ATOM 0 HD2 PHE A 44 -8.633 9.412 7.306 1.00 51.41 H new ATOM 0 HE1 PHE A 44 -13.040 9.170 5.137 1.00 70.23 H new ATOM 0 HE2 PHE A 44 -10.413 8.040 8.299 1.00 10.42 H new ATOM 0 HZ PHE A 44 -12.620 7.912 7.212 1.00 3.54 H new ATOM 733 N ALA A 45 -7.615 14.047 5.935 1.00 20.41 N ATOM 734 CA ALA A 45 -7.025 14.831 7.012 1.00 41.41 C ATOM 735 C ALA A 45 -5.808 14.127 7.602 1.00 62.42 C ATOM 736 O ALA A 45 -5.154 14.648 8.506 1.00 70.52 O ATOM 737 CB ALA A 45 -8.058 15.100 8.097 1.00 43.12 C ATOM 0 H ALA A 45 -7.241 14.254 5.009 1.00 20.41 H new ATOM 0 HA ALA A 45 -6.695 15.783 6.595 1.00 41.41 H new ATOM 0 HB1 ALA A 45 -7.603 15.687 8.895 1.00 43.12 H new ATOM 0 HB2 ALA A 45 -8.896 15.653 7.673 1.00 43.12 H new ATOM 0 HB3 ALA A 45 -8.416 14.153 8.501 1.00 43.12 H new ATOM 743 N VAL A 46 -5.508 12.940 7.084 1.00 20.03 N ATOM 744 CA VAL A 46 -4.369 12.164 7.559 1.00 21.53 C ATOM 745 C VAL A 46 -3.185 12.288 6.607 1.00 23.45 C ATOM 746 O VAL A 46 -3.262 11.884 5.448 1.00 21.11 O ATOM 747 CB VAL A 46 -4.731 10.676 7.719 1.00 32.20 C ATOM 748 CG1 VAL A 46 -3.473 9.828 7.830 1.00 4.43 C ATOM 749 CG2 VAL A 46 -5.629 10.473 8.931 1.00 64.31 C ATOM 0 H VAL A 46 -6.038 12.495 6.335 1.00 20.03 H new ATOM 0 HA VAL A 46 -4.093 12.570 8.532 1.00 21.53 H new ATOM 0 HB VAL A 46 -5.278 10.357 6.832 1.00 32.20 H new ATOM 0 HG11 VAL A 46 -3.750 8.780 7.942 1.00 4.43 H new ATOM 0 HG12 VAL A 46 -2.871 9.950 6.929 1.00 4.43 H new ATOM 0 HG13 VAL A 46 -2.895 10.146 8.698 1.00 4.43 H new ATOM 0 HG21 VAL A 46 -5.875 9.416 9.029 1.00 64.31 H new ATOM 0 HG22 VAL A 46 -5.110 10.809 9.829 1.00 64.31 H new ATOM 0 HG23 VAL A 46 -6.546 11.049 8.805 1.00 64.31 H new ATOM 759 N ASN A 47 -2.088 12.849 7.106 1.00 50.13 N ATOM 760 CA ASN A 47 -0.886 13.028 6.299 1.00 61.41 C ATOM 761 C ASN A 47 -0.469 11.712 5.647 1.00 42.13 C ATOM 762 O ASN A 47 -0.302 10.687 6.309 1.00 52.35 O ATOM 763 CB ASN A 47 0.257 13.566 7.162 1.00 30.12 C ATOM 764 CG ASN A 47 0.796 14.887 6.649 1.00 43.25 C ATOM 765 OD1 ASN A 47 0.083 15.891 6.617 1.00 50.30 O ATOM 766 ND2 ASN A 47 2.060 14.893 6.242 1.00 43.04 N ATOM 0 H ASN A 47 -2.007 13.187 8.065 1.00 50.13 H new ATOM 0 HA ASN A 47 -1.110 13.749 5.513 1.00 61.41 H new ATOM 0 HB2 ASN A 47 -0.093 13.693 8.186 1.00 30.12 H new ATOM 0 HB3 ASN A 47 1.064 12.834 7.189 1.00 30.12 H new ATOM 0 HD21 ASN A 47 2.477 15.753 5.885 1.00 43.04 H new ATOM 0 HD22 ASN A 47 2.614 14.038 6.286 1.00 43.04 H new ATOM 773 N PRO A 48 -0.295 11.740 4.317 1.00 12.21 N ATOM 774 CA PRO A 48 0.105 10.560 3.547 1.00 63.24 C ATOM 775 C PRO A 48 1.547 10.148 3.825 1.00 71.33 C ATOM 776 O PRO A 48 2.002 9.099 3.369 1.00 41.10 O ATOM 777 CB PRO A 48 -0.049 11.016 2.093 1.00 55.50 C ATOM 778 CG PRO A 48 0.100 12.498 2.143 1.00 21.03 C ATOM 779 CD PRO A 48 -0.476 12.927 3.464 1.00 0.51 C ATOM 0 HA PRO A 48 -0.495 9.686 3.800 1.00 63.24 H new ATOM 0 HB2 PRO A 48 0.709 10.563 1.454 1.00 55.50 H new ATOM 0 HB3 PRO A 48 -1.020 10.729 1.689 1.00 55.50 H new ATOM 0 HG2 PRO A 48 1.148 12.788 2.061 1.00 21.03 H new ATOM 0 HG3 PRO A 48 -0.427 12.972 1.315 1.00 21.03 H new ATOM 0 HD2 PRO A 48 0.046 13.795 3.867 1.00 0.51 H new ATOM 0 HD3 PRO A 48 -1.527 13.201 3.374 1.00 0.51 H new ATOM 787 N GLY A 49 2.262 10.980 4.576 1.00 41.31 N ATOM 788 CA GLY A 49 3.645 10.684 4.902 1.00 53.14 C ATOM 789 C GLY A 49 3.776 9.518 5.863 1.00 45.14 C ATOM 790 O GLY A 49 4.884 9.060 6.145 1.00 32.12 O ATOM 0 H GLY A 49 1.908 11.854 4.965 1.00 41.31 H new ATOM 0 HA2 GLY A 49 4.191 10.459 3.986 1.00 53.14 H new ATOM 0 HA3 GLY A 49 4.109 11.567 5.341 1.00 53.14 H new ATOM 794 N LEU A 50 2.645 9.040 6.368 1.00 40.10 N ATOM 795 CA LEU A 50 2.639 7.921 7.305 1.00 63.23 C ATOM 796 C LEU A 50 2.733 6.591 6.565 1.00 53.21 C ATOM 797 O LEU A 50 2.852 5.531 7.183 1.00 42.43 O ATOM 798 CB LEU A 50 1.372 7.955 8.161 1.00 71.21 C ATOM 799 CG LEU A 50 1.020 9.304 8.788 1.00 41.04 C ATOM 800 CD1 LEU A 50 -0.475 9.396 9.052 1.00 0.01 C ATOM 801 CD2 LEU A 50 1.806 9.516 10.073 1.00 50.21 C ATOM 0 H LEU A 50 1.720 9.409 6.145 1.00 40.10 H new ATOM 0 HA LEU A 50 3.510 8.016 7.953 1.00 63.23 H new ATOM 0 HB2 LEU A 50 0.533 7.634 7.544 1.00 71.21 H new ATOM 0 HB3 LEU A 50 1.479 7.222 8.961 1.00 71.21 H new ATOM 0 HG LEU A 50 1.292 10.092 8.086 1.00 41.04 H new ATOM 0 HD11 LEU A 50 -0.707 10.363 9.498 1.00 0.01 H new ATOM 0 HD12 LEU A 50 -1.018 9.291 8.113 1.00 0.01 H new ATOM 0 HD13 LEU A 50 -0.774 8.600 9.735 1.00 0.01 H new ATOM 0 HD21 LEU A 50 1.543 10.481 10.506 1.00 50.21 H new ATOM 0 HD22 LEU A 50 1.566 8.723 10.781 1.00 50.21 H new ATOM 0 HD23 LEU A 50 2.874 9.496 9.854 1.00 50.21 H new ATOM 813 N LEU A 51 2.679 6.652 5.239 1.00 21.22 N ATOM 814 CA LEU A 51 2.759 5.452 4.414 1.00 61.03 C ATOM 815 C LEU A 51 4.202 4.972 4.291 1.00 72.34 C ATOM 816 O LEU A 51 4.453 3.803 4.001 1.00 65.00 O ATOM 817 CB LEU A 51 2.180 5.724 3.025 1.00 54.40 C ATOM 818 CG LEU A 51 0.688 6.057 2.973 1.00 42.40 C ATOM 819 CD1 LEU A 51 0.224 6.206 1.533 1.00 50.22 C ATOM 820 CD2 LEU A 51 -0.122 4.986 3.689 1.00 41.04 C ATOM 0 H LEU A 51 2.580 7.520 4.712 1.00 21.22 H new ATOM 0 HA LEU A 51 2.174 4.669 4.897 1.00 61.03 H new ATOM 0 HB2 LEU A 51 2.732 6.551 2.579 1.00 54.40 H new ATOM 0 HB3 LEU A 51 2.358 4.848 2.401 1.00 54.40 H new ATOM 0 HG LEU A 51 0.529 7.007 3.484 1.00 42.40 H new ATOM 0 HD11 LEU A 51 -0.840 6.443 1.516 1.00 50.22 H new ATOM 0 HD12 LEU A 51 0.782 7.009 1.052 1.00 50.22 H new ATOM 0 HD13 LEU A 51 0.397 5.273 0.997 1.00 50.22 H new ATOM 0 HD21 LEU A 51 -1.181 5.239 3.642 1.00 41.04 H new ATOM 0 HD22 LEU A 51 0.043 4.022 3.207 1.00 41.04 H new ATOM 0 HD23 LEU A 51 0.192 4.929 4.731 1.00 41.04 H new ATOM 832 N GLU A 52 5.144 5.883 4.514 1.00 11.03 N ATOM 833 CA GLU A 52 6.562 5.551 4.429 1.00 72.31 C ATOM 834 C GLU A 52 7.138 5.265 5.812 1.00 33.42 C ATOM 835 O GLU A 52 8.264 5.654 6.122 1.00 52.51 O ATOM 836 CB GLU A 52 7.336 6.693 3.767 1.00 63.40 C ATOM 837 CG GLU A 52 7.005 8.062 4.335 1.00 70.51 C ATOM 838 CD GLU A 52 5.981 8.806 3.502 1.00 52.45 C ATOM 839 OE1 GLU A 52 4.816 8.359 3.455 1.00 21.34 O ATOM 840 OE2 GLU A 52 6.343 9.836 2.896 1.00 40.41 O ATOM 0 H GLU A 52 4.952 6.855 4.755 1.00 11.03 H new ATOM 0 HA GLU A 52 6.663 4.652 3.821 1.00 72.31 H new ATOM 0 HB2 GLU A 52 8.405 6.510 3.881 1.00 63.40 H new ATOM 0 HB3 GLU A 52 7.125 6.692 2.698 1.00 63.40 H new ATOM 0 HG2 GLU A 52 6.628 7.948 5.351 1.00 70.51 H new ATOM 0 HG3 GLU A 52 7.917 8.655 4.398 1.00 70.51 H new ATOM 847 N THR A 53 6.357 4.581 6.643 1.00 73.54 N ATOM 848 CA THR A 53 6.786 4.244 7.994 1.00 71.32 C ATOM 849 C THR A 53 6.034 3.029 8.523 1.00 33.43 C ATOM 850 O THR A 53 4.825 3.084 8.745 1.00 54.22 O ATOM 851 CB THR A 53 6.578 5.424 8.961 1.00 11.22 C ATOM 852 OG1 THR A 53 5.215 5.464 9.399 1.00 60.42 O ATOM 853 CG2 THR A 53 6.939 6.742 8.292 1.00 24.12 C ATOM 0 H THR A 53 5.423 4.249 6.403 1.00 73.54 H new ATOM 0 HA THR A 53 7.850 4.013 7.939 1.00 71.32 H new ATOM 0 HB THR A 53 7.232 5.280 9.821 1.00 11.22 H new ATOM 0 HG1 THR A 53 4.685 4.824 8.879 1.00 60.42 H new ATOM 0 HG21 THR A 53 6.784 7.561 8.994 1.00 24.12 H new ATOM 0 HG22 THR A 53 7.985 6.720 7.985 1.00 24.12 H new ATOM 0 HG23 THR A 53 6.307 6.891 7.416 1.00 24.12 H new ATOM 861 N SER A 54 6.757 1.932 8.725 1.00 41.02 N ATOM 862 CA SER A 54 6.157 0.701 9.226 1.00 53.42 C ATOM 863 C SER A 54 5.391 0.959 10.521 1.00 73.15 C ATOM 864 O SER A 54 4.429 0.259 10.834 1.00 55.13 O ATOM 865 CB SER A 54 7.234 -0.359 9.460 1.00 21.12 C ATOM 866 OG SER A 54 6.725 -1.446 10.215 1.00 44.45 O ATOM 0 H SER A 54 7.760 1.871 8.549 1.00 41.02 H new ATOM 0 HA SER A 54 5.456 0.336 8.475 1.00 53.42 H new ATOM 0 HB2 SER A 54 7.607 -0.721 8.502 1.00 21.12 H new ATOM 0 HB3 SER A 54 8.080 0.087 9.983 1.00 21.12 H new ATOM 0 HG SER A 54 7.330 -1.637 10.962 1.00 44.45 H new ATOM 872 N GLU A 55 5.826 1.968 11.267 1.00 13.22 N ATOM 873 CA GLU A 55 5.182 2.317 12.528 1.00 52.50 C ATOM 874 C GLU A 55 3.953 3.189 12.289 1.00 75.13 C ATOM 875 O GLU A 55 3.040 3.235 13.113 1.00 62.04 O ATOM 876 CB GLU A 55 6.167 3.048 13.444 1.00 73.20 C ATOM 877 CG GLU A 55 6.901 2.128 14.404 1.00 65.41 C ATOM 878 CD GLU A 55 8.294 1.771 13.920 1.00 14.02 C ATOM 879 OE1 GLU A 55 8.404 1.101 12.873 1.00 71.54 O ATOM 880 OE2 GLU A 55 9.273 2.163 14.589 1.00 51.45 O ATOM 0 H GLU A 55 6.621 2.558 11.021 1.00 13.22 H new ATOM 0 HA GLU A 55 4.863 1.393 13.011 1.00 52.50 H new ATOM 0 HB2 GLU A 55 6.897 3.577 12.831 1.00 73.20 H new ATOM 0 HB3 GLU A 55 5.627 3.801 14.017 1.00 73.20 H new ATOM 0 HG2 GLU A 55 6.972 2.609 15.380 1.00 65.41 H new ATOM 0 HG3 GLU A 55 6.322 1.214 14.540 1.00 65.41 H new ATOM 887 N GLY A 56 3.936 3.879 11.153 1.00 50.33 N ATOM 888 CA GLY A 56 2.816 4.740 10.823 1.00 14.52 C ATOM 889 C GLY A 56 1.558 3.958 10.500 1.00 31.23 C ATOM 890 O GLY A 56 0.474 4.286 10.981 1.00 14.33 O ATOM 0 H GLY A 56 4.679 3.857 10.455 1.00 50.33 H new ATOM 0 HA2 GLY A 56 2.618 5.410 11.659 1.00 14.52 H new ATOM 0 HA3 GLY A 56 3.081 5.364 9.970 1.00 14.52 H new ATOM 894 N CYS A 57 1.703 2.922 9.681 1.00 33.44 N ATOM 895 CA CYS A 57 0.569 2.091 9.292 1.00 75.14 C ATOM 896 C CYS A 57 -0.211 1.626 10.517 1.00 70.24 C ATOM 897 O CYS A 57 -1.390 1.940 10.671 1.00 54.41 O ATOM 898 CB CYS A 57 1.049 0.882 8.487 1.00 52.12 C ATOM 899 SG CYS A 57 1.567 1.276 6.801 1.00 41.13 S ATOM 0 H CYS A 57 2.594 2.638 9.274 1.00 33.44 H new ATOM 0 HA CYS A 57 -0.094 2.692 8.670 1.00 75.14 H new ATOM 0 HB2 CYS A 57 1.883 0.417 9.013 1.00 52.12 H new ATOM 0 HB3 CYS A 57 0.247 0.145 8.446 1.00 52.12 H new ATOM 0 HG CYS A 57 2.630 0.590 6.502 1.00 41.13 H new ATOM 905 N ARG A 58 0.456 0.873 11.385 1.00 3.12 N ATOM 906 CA ARG A 58 -0.174 0.361 12.596 1.00 35.31 C ATOM 907 C ARG A 58 -0.849 1.486 13.375 1.00 50.02 C ATOM 908 O ARG A 58 -1.912 1.295 13.964 1.00 31.10 O ATOM 909 CB ARG A 58 0.860 -0.336 13.480 1.00 64.30 C ATOM 910 CG ARG A 58 0.695 -1.846 13.537 1.00 71.22 C ATOM 911 CD ARG A 58 0.036 -2.287 14.835 1.00 44.23 C ATOM 912 NE ARG A 58 -1.419 -2.178 14.774 1.00 24.40 N ATOM 913 CZ ARG A 58 -2.196 -2.119 15.849 1.00 55.14 C ATOM 914 NH1 ARG A 58 -1.662 -2.156 17.061 1.00 23.44 N ATOM 915 NH2 ARG A 58 -3.513 -2.022 15.713 1.00 53.42 N ATOM 0 H ARG A 58 1.433 0.604 11.272 1.00 3.12 H new ATOM 0 HA ARG A 58 -0.935 -0.361 12.301 1.00 35.31 H new ATOM 0 HB2 ARG A 58 1.858 -0.102 13.110 1.00 64.30 H new ATOM 0 HB3 ARG A 58 0.792 0.067 14.491 1.00 64.30 H new ATOM 0 HG2 ARG A 58 0.094 -2.179 12.691 1.00 71.22 H new ATOM 0 HG3 ARG A 58 1.670 -2.323 13.443 1.00 71.22 H new ATOM 0 HD2 ARG A 58 0.314 -3.319 15.050 1.00 44.23 H new ATOM 0 HD3 ARG A 58 0.411 -1.678 15.657 1.00 44.23 H new ATOM 0 HE ARG A 58 -1.862 -2.145 13.856 1.00 24.40 H new ATOM 0 HH11 ARG A 58 -0.651 -2.230 17.171 1.00 23.44 H new ATOM 0 HH12 ARG A 58 -2.262 -2.110 17.884 1.00 23.44 H new ATOM 0 HH21 ARG A 58 -3.929 -1.993 14.782 1.00 53.42 H new ATOM 0 HH22 ARG A 58 -4.109 -1.977 16.539 1.00 53.42 H new ATOM 929 N GLN A 59 -0.224 2.660 13.372 1.00 64.52 N ATOM 930 CA GLN A 59 -0.763 3.814 14.079 1.00 53.21 C ATOM 931 C GLN A 59 -2.000 4.357 13.370 1.00 11.41 C ATOM 932 O GLN A 59 -2.894 4.919 14.004 1.00 25.02 O ATOM 933 CB GLN A 59 0.297 4.911 14.191 1.00 0.14 C ATOM 934 CG GLN A 59 0.185 5.737 15.463 1.00 43.33 C ATOM 935 CD GLN A 59 0.854 5.074 16.651 1.00 43.34 C ATOM 936 OE1 GLN A 59 0.645 3.890 16.915 1.00 41.24 O ATOM 937 NE2 GLN A 59 1.666 5.836 17.374 1.00 24.21 N ATOM 0 H GLN A 59 0.656 2.836 12.887 1.00 64.52 H new ATOM 0 HA GLN A 59 -1.051 3.493 15.080 1.00 53.21 H new ATOM 0 HB2 GLN A 59 1.286 4.455 14.150 1.00 0.14 H new ATOM 0 HB3 GLN A 59 0.215 5.573 13.329 1.00 0.14 H new ATOM 0 HG2 GLN A 59 0.635 6.716 15.297 1.00 43.33 H new ATOM 0 HG3 GLN A 59 -0.868 5.905 15.691 1.00 43.33 H new ATOM 0 HE21 GLN A 59 1.810 6.813 17.119 1.00 24.21 H new ATOM 0 HE22 GLN A 59 2.146 5.444 18.185 1.00 24.21 H new ATOM 946 N ILE A 60 -2.044 4.186 12.054 1.00 52.22 N ATOM 947 CA ILE A 60 -3.172 4.658 11.260 1.00 52.24 C ATOM 948 C ILE A 60 -4.426 3.839 11.544 1.00 30.40 C ATOM 949 O ILE A 60 -5.536 4.373 11.581 1.00 25.42 O ATOM 950 CB ILE A 60 -2.863 4.598 9.752 1.00 54.03 C ATOM 951 CG1 ILE A 60 -1.739 5.574 9.400 1.00 34.13 C ATOM 952 CG2 ILE A 60 -4.114 4.908 8.943 1.00 43.35 C ATOM 953 CD1 ILE A 60 -0.864 5.101 8.260 1.00 63.21 C ATOM 0 H ILE A 60 -1.312 3.724 11.514 1.00 52.22 H new ATOM 0 HA ILE A 60 -3.347 5.695 11.546 1.00 52.24 H new ATOM 0 HB ILE A 60 -2.533 3.589 9.503 1.00 54.03 H new ATOM 0 HG12 ILE A 60 -2.175 6.538 9.137 1.00 34.13 H new ATOM 0 HG13 ILE A 60 -1.118 5.734 10.282 1.00 34.13 H new ATOM 0 HG21 ILE A 60 -3.880 4.862 7.879 1.00 43.35 H new ATOM 0 HG22 ILE A 60 -4.888 4.177 9.176 1.00 43.35 H new ATOM 0 HG23 ILE A 60 -4.471 5.907 9.193 1.00 43.35 H new ATOM 0 HD11 ILE A 60 -0.089 5.842 8.065 1.00 63.21 H new ATOM 0 HD12 ILE A 60 -0.400 4.152 8.527 1.00 63.21 H new ATOM 0 HD13 ILE A 60 -1.472 4.968 7.365 1.00 63.21 H new ATOM 965 N LEU A 61 -4.243 2.538 11.745 1.00 53.01 N ATOM 966 CA LEU A 61 -5.360 1.643 12.028 1.00 3.11 C ATOM 967 C LEU A 61 -5.952 1.929 13.404 1.00 11.21 C ATOM 968 O LEU A 61 -7.083 1.544 13.697 1.00 11.40 O ATOM 969 CB LEU A 61 -4.902 0.185 11.951 1.00 51.03 C ATOM 970 CG LEU A 61 -4.292 -0.257 10.620 1.00 72.42 C ATOM 971 CD1 LEU A 61 -3.641 -1.625 10.760 1.00 41.44 C ATOM 972 CD2 LEU A 61 -5.351 -0.277 9.528 1.00 53.11 C ATOM 0 H LEU A 61 -3.332 2.080 11.717 1.00 53.01 H new ATOM 0 HA LEU A 61 -6.132 1.816 11.278 1.00 3.11 H new ATOM 0 HB2 LEU A 61 -4.169 0.013 12.739 1.00 51.03 H new ATOM 0 HB3 LEU A 61 -5.757 -0.456 12.166 1.00 51.03 H new ATOM 0 HG LEU A 61 -3.523 0.462 10.338 1.00 72.42 H new ATOM 0 HD11 LEU A 61 -3.212 -1.924 9.803 1.00 41.44 H new ATOM 0 HD12 LEU A 61 -2.853 -1.578 11.512 1.00 41.44 H new ATOM 0 HD13 LEU A 61 -4.391 -2.355 11.065 1.00 41.44 H new ATOM 0 HD21 LEU A 61 -4.899 -0.594 8.588 1.00 53.11 H new ATOM 0 HD22 LEU A 61 -6.143 -0.973 9.802 1.00 53.11 H new ATOM 0 HD23 LEU A 61 -5.771 0.722 9.410 1.00 53.11 H new ATOM 984 N GLY A 62 -5.179 2.610 14.246 1.00 43.12 N ATOM 985 CA GLY A 62 -5.645 2.939 15.580 1.00 64.43 C ATOM 986 C GLY A 62 -6.659 4.065 15.578 1.00 15.35 C ATOM 987 O GLY A 62 -7.528 4.126 16.448 1.00 74.11 O ATOM 0 H GLY A 62 -4.239 2.939 14.027 1.00 43.12 H new ATOM 0 HA2 GLY A 62 -6.090 2.054 16.035 1.00 64.43 H new ATOM 0 HA3 GLY A 62 -4.794 3.222 16.200 1.00 64.43 H new ATOM 991 N GLN A 63 -6.547 4.960 14.602 1.00 35.33 N ATOM 992 CA GLN A 63 -7.462 6.090 14.493 1.00 4.34 C ATOM 993 C GLN A 63 -8.708 5.709 13.702 1.00 62.23 C ATOM 994 O GLN A 63 -9.744 6.368 13.800 1.00 10.12 O ATOM 995 CB GLN A 63 -6.762 7.276 13.827 1.00 72.20 C ATOM 996 CG GLN A 63 -6.278 8.329 14.811 1.00 31.43 C ATOM 997 CD GLN A 63 -5.550 9.471 14.132 1.00 24.04 C ATOM 998 OE1 GLN A 63 -4.700 9.254 13.268 1.00 41.43 O ATOM 999 NE2 GLN A 63 -5.877 10.698 14.521 1.00 55.00 N ATOM 0 H GLN A 63 -5.832 4.925 13.876 1.00 35.33 H new ATOM 0 HA GLN A 63 -7.768 6.376 15.499 1.00 4.34 H new ATOM 0 HB2 GLN A 63 -5.911 6.909 13.253 1.00 72.20 H new ATOM 0 HB3 GLN A 63 -7.448 7.741 13.119 1.00 72.20 H new ATOM 0 HG2 GLN A 63 -7.131 8.724 15.363 1.00 31.43 H new ATOM 0 HG3 GLN A 63 -5.615 7.862 15.540 1.00 31.43 H new ATOM 0 HE21 GLN A 63 -6.587 10.833 15.241 1.00 55.00 H new ATOM 0 HE22 GLN A 63 -5.418 11.506 14.100 1.00 55.00 H new ATOM 1008 N LEU A 64 -8.601 4.643 12.917 1.00 2.41 N ATOM 1009 CA LEU A 64 -9.720 4.174 12.107 1.00 20.42 C ATOM 1010 C LEU A 64 -10.440 3.017 12.792 1.00 73.32 C ATOM 1011 O LEU A 64 -11.643 2.828 12.611 1.00 64.21 O ATOM 1012 CB LEU A 64 -9.227 3.738 10.726 1.00 31.11 C ATOM 1013 CG LEU A 64 -8.601 4.832 9.860 1.00 33.41 C ATOM 1014 CD1 LEU A 64 -8.192 4.272 8.506 1.00 12.01 C ATOM 1015 CD2 LEU A 64 -9.568 5.994 9.688 1.00 21.25 C ATOM 0 H LEU A 64 -7.751 4.087 12.824 1.00 2.41 H new ATOM 0 HA LEU A 64 -10.424 4.998 11.991 1.00 20.42 H new ATOM 0 HB2 LEU A 64 -8.493 2.943 10.859 1.00 31.11 H new ATOM 0 HB3 LEU A 64 -10.068 3.308 10.181 1.00 31.11 H new ATOM 0 HG LEU A 64 -7.707 5.200 10.363 1.00 33.41 H new ATOM 0 HD11 LEU A 64 -7.749 5.065 7.903 1.00 12.01 H new ATOM 0 HD12 LEU A 64 -7.464 3.473 8.647 1.00 12.01 H new ATOM 0 HD13 LEU A 64 -9.070 3.876 7.996 1.00 12.01 H new ATOM 0 HD21 LEU A 64 -9.106 6.763 9.069 1.00 21.25 H new ATOM 0 HD22 LEU A 64 -10.480 5.640 9.207 1.00 21.25 H new ATOM 0 HD23 LEU A 64 -9.812 6.412 10.665 1.00 21.25 H new ATOM 1027 N GLN A 65 -9.696 2.246 13.580 1.00 40.24 N ATOM 1028 CA GLN A 65 -10.265 1.109 14.293 1.00 62.12 C ATOM 1029 C GLN A 65 -11.574 1.493 14.975 1.00 72.00 C ATOM 1030 O GLN A 65 -12.631 0.921 14.709 1.00 15.31 O ATOM 1031 CB GLN A 65 -9.272 0.582 15.329 1.00 32.53 C ATOM 1032 CG GLN A 65 -9.937 -0.038 16.549 1.00 62.23 C ATOM 1033 CD GLN A 65 -8.972 -0.852 17.388 1.00 4.21 C ATOM 1034 OE1 GLN A 65 -7.929 -1.294 16.904 1.00 40.21 O ATOM 1035 NE2 GLN A 65 -9.315 -1.054 18.655 1.00 25.52 N ATOM 0 H GLN A 65 -8.699 2.389 13.740 1.00 40.24 H new ATOM 0 HA GLN A 65 -10.473 0.324 13.566 1.00 62.12 H new ATOM 0 HB2 GLN A 65 -8.629 -0.162 14.858 1.00 32.53 H new ATOM 0 HB3 GLN A 65 -8.629 1.400 15.653 1.00 32.53 H new ATOM 0 HG2 GLN A 65 -10.370 0.752 17.163 1.00 62.23 H new ATOM 0 HG3 GLN A 65 -10.759 -0.676 16.225 1.00 62.23 H new ATOM 0 HE21 GLN A 65 -10.189 -0.669 19.014 1.00 25.52 H new ATOM 0 HE22 GLN A 65 -8.705 -1.594 19.269 1.00 25.52 H new ATOM 1044 N PRO A 66 -11.504 2.484 15.875 1.00 44.44 N ATOM 1045 CA PRO A 66 -12.674 2.968 16.613 1.00 32.12 C ATOM 1046 C PRO A 66 -13.656 3.718 15.719 1.00 21.41 C ATOM 1047 O PRO A 66 -14.724 4.135 16.166 1.00 4.30 O ATOM 1048 CB PRO A 66 -12.071 3.913 17.656 1.00 70.10 C ATOM 1049 CG PRO A 66 -10.786 4.368 17.056 1.00 53.34 C ATOM 1050 CD PRO A 66 -10.276 3.211 16.241 1.00 53.11 C ATOM 0 HA PRO A 66 -13.251 2.149 17.043 1.00 32.12 H new ATOM 0 HB2 PRO A 66 -12.734 4.755 17.858 1.00 70.10 H new ATOM 0 HB3 PRO A 66 -11.906 3.402 18.605 1.00 70.10 H new ATOM 0 HG2 PRO A 66 -10.937 5.248 16.432 1.00 53.34 H new ATOM 0 HG3 PRO A 66 -10.071 4.645 17.830 1.00 53.34 H new ATOM 0 HD2 PRO A 66 -9.732 3.549 15.359 1.00 53.11 H new ATOM 0 HD3 PRO A 66 -9.594 2.584 16.816 1.00 53.11 H new ATOM 1058 N SER A 67 -13.286 3.884 14.453 1.00 53.10 N ATOM 1059 CA SER A 67 -14.134 4.586 13.496 1.00 3.21 C ATOM 1060 C SER A 67 -14.864 3.600 12.590 1.00 14.02 C ATOM 1061 O SER A 67 -15.900 3.924 12.008 1.00 45.31 O ATOM 1062 CB SER A 67 -13.296 5.548 12.651 1.00 63.31 C ATOM 1063 OG SER A 67 -12.678 6.533 13.461 1.00 12.33 O ATOM 0 H SER A 67 -12.406 3.543 14.066 1.00 53.10 H new ATOM 0 HA SER A 67 -14.876 5.156 14.055 1.00 3.21 H new ATOM 0 HB2 SER A 67 -12.534 4.990 12.107 1.00 63.31 H new ATOM 0 HB3 SER A 67 -13.930 6.030 11.907 1.00 63.31 H new ATOM 0 HG SER A 67 -11.710 6.379 13.483 1.00 12.33 H new ATOM 1069 N LEU A 68 -14.317 2.395 12.477 1.00 71.33 N ATOM 1070 CA LEU A 68 -14.915 1.359 11.641 1.00 13.32 C ATOM 1071 C LEU A 68 -16.373 1.124 12.027 1.00 61.23 C ATOM 1072 O LEU A 68 -17.157 0.603 11.235 1.00 54.04 O ATOM 1073 CB LEU A 68 -14.126 0.055 11.767 1.00 20.13 C ATOM 1074 CG LEU A 68 -12.703 0.076 11.209 1.00 22.35 C ATOM 1075 CD1 LEU A 68 -11.919 -1.133 11.698 1.00 54.44 C ATOM 1076 CD2 LEU A 68 -12.726 0.120 9.689 1.00 73.43 C ATOM 0 H LEU A 68 -13.461 2.111 12.953 1.00 71.33 H new ATOM 0 HA LEU A 68 -14.881 1.697 10.605 1.00 13.32 H new ATOM 0 HB2 LEU A 68 -14.078 -0.217 12.821 1.00 20.13 H new ATOM 0 HB3 LEU A 68 -14.682 -0.733 11.260 1.00 20.13 H new ATOM 0 HG LEU A 68 -12.206 0.976 11.571 1.00 22.35 H new ATOM 0 HD11 LEU A 68 -10.909 -1.101 11.290 1.00 54.44 H new ATOM 0 HD12 LEU A 68 -11.872 -1.120 12.787 1.00 54.44 H new ATOM 0 HD13 LEU A 68 -12.414 -2.046 11.367 1.00 54.44 H new ATOM 0 HD21 LEU A 68 -11.704 0.134 9.310 1.00 73.43 H new ATOM 0 HD22 LEU A 68 -13.242 -0.761 9.307 1.00 73.43 H new ATOM 0 HD23 LEU A 68 -13.248 1.018 9.359 1.00 73.43 H new ATOM 1088 N GLN A 69 -16.727 1.513 13.247 1.00 60.13 N ATOM 1089 CA GLN A 69 -18.090 1.345 13.736 1.00 14.14 C ATOM 1090 C GLN A 69 -18.962 2.531 13.336 1.00 14.31 C ATOM 1091 O GLN A 69 -20.116 2.363 12.942 1.00 74.41 O ATOM 1092 CB GLN A 69 -18.093 1.185 15.258 1.00 74.14 C ATOM 1093 CG GLN A 69 -19.449 0.798 15.827 1.00 51.24 C ATOM 1094 CD GLN A 69 -19.623 -0.703 15.950 1.00 11.14 C ATOM 1095 OE1 GLN A 69 -20.354 -1.321 15.174 1.00 4.54 O ATOM 1096 NE2 GLN A 69 -18.952 -1.298 16.930 1.00 62.34 N ATOM 0 H GLN A 69 -16.089 1.946 13.915 1.00 60.13 H new ATOM 0 HA GLN A 69 -18.503 0.444 13.282 1.00 14.14 H new ATOM 0 HB2 GLN A 69 -17.362 0.426 15.537 1.00 74.14 H new ATOM 0 HB3 GLN A 69 -17.771 2.121 15.714 1.00 74.14 H new ATOM 0 HG2 GLN A 69 -19.571 1.256 16.809 1.00 51.24 H new ATOM 0 HG3 GLN A 69 -20.235 1.200 15.188 1.00 51.24 H new ATOM 0 HE21 GLN A 69 -18.358 -0.747 17.549 1.00 62.34 H new ATOM 0 HE22 GLN A 69 -19.031 -2.306 17.063 1.00 62.34 H new ATOM 1105 N THR A 70 -18.402 3.733 13.441 1.00 34.40 N ATOM 1106 CA THR A 70 -19.128 4.947 13.092 1.00 73.51 C ATOM 1107 C THR A 70 -19.186 5.137 11.580 1.00 14.12 C ATOM 1108 O THR A 70 -20.262 5.305 11.007 1.00 32.21 O ATOM 1109 CB THR A 70 -18.482 6.191 13.730 1.00 54.24 C ATOM 1110 OG1 THR A 70 -17.612 5.798 14.798 1.00 52.01 O ATOM 1111 CG2 THR A 70 -19.545 7.141 14.259 1.00 42.40 C ATOM 0 H THR A 70 -17.448 3.891 13.765 1.00 34.40 H new ATOM 0 HA THR A 70 -20.140 4.833 13.480 1.00 73.51 H new ATOM 0 HB THR A 70 -17.905 6.707 12.963 1.00 54.24 H new ATOM 0 HG1 THR A 70 -17.204 6.594 15.197 1.00 52.01 H new ATOM 0 HG21 THR A 70 -19.065 8.012 14.705 1.00 42.40 H new ATOM 0 HG22 THR A 70 -20.188 7.461 13.439 1.00 42.40 H new ATOM 0 HG23 THR A 70 -20.145 6.632 15.013 1.00 42.40 H new ATOM 1119 N GLY A 71 -18.022 5.110 10.939 1.00 0.34 N ATOM 1120 CA GLY A 71 -17.964 5.281 9.499 1.00 22.24 C ATOM 1121 C GLY A 71 -18.627 4.140 8.753 1.00 2.53 C ATOM 1122 O GLY A 71 -19.114 3.189 9.364 1.00 10.14 O ATOM 0 H GLY A 71 -17.118 4.973 11.391 1.00 0.34 H new ATOM 0 HA2 GLY A 71 -18.449 6.219 9.228 1.00 22.24 H new ATOM 0 HA3 GLY A 71 -16.923 5.359 9.187 1.00 22.24 H new ATOM 1126 N SER A 72 -18.648 4.235 7.427 1.00 1.44 N ATOM 1127 CA SER A 72 -19.263 3.207 6.597 1.00 21.42 C ATOM 1128 C SER A 72 -18.199 2.365 5.898 1.00 5.25 C ATOM 1129 O SER A 72 -17.025 2.398 6.268 1.00 13.32 O ATOM 1130 CB SER A 72 -20.188 3.844 5.559 1.00 10.10 C ATOM 1131 OG SER A 72 -19.443 4.470 4.528 1.00 72.51 O ATOM 0 H SER A 72 -18.246 5.014 6.905 1.00 1.44 H new ATOM 0 HA SER A 72 -19.850 2.556 7.245 1.00 21.42 H new ATOM 0 HB2 SER A 72 -20.839 3.082 5.130 1.00 10.10 H new ATOM 0 HB3 SER A 72 -20.833 4.578 6.043 1.00 10.10 H new ATOM 0 HG SER A 72 -20.057 4.868 3.876 1.00 72.51 H new ATOM 1137 N GLU A 73 -18.618 1.613 4.886 1.00 40.25 N ATOM 1138 CA GLU A 73 -17.701 0.763 4.136 1.00 52.14 C ATOM 1139 C GLU A 73 -16.641 1.600 3.424 1.00 60.01 C ATOM 1140 O GLU A 73 -15.641 1.072 2.940 1.00 71.12 O ATOM 1141 CB GLU A 73 -18.470 -0.079 3.116 1.00 71.40 C ATOM 1142 CG GLU A 73 -17.594 -1.053 2.346 1.00 33.42 C ATOM 1143 CD GLU A 73 -18.230 -2.423 2.205 1.00 64.34 C ATOM 1144 OE1 GLU A 73 -18.697 -2.971 3.224 1.00 5.34 O ATOM 1145 OE2 GLU A 73 -18.259 -2.948 1.071 1.00 52.42 O ATOM 0 H GLU A 73 -19.586 1.575 4.566 1.00 40.25 H new ATOM 0 HA GLU A 73 -17.202 0.100 4.842 1.00 52.14 H new ATOM 0 HB2 GLU A 73 -19.251 -0.637 3.633 1.00 71.40 H new ATOM 0 HB3 GLU A 73 -18.967 0.586 2.410 1.00 71.40 H new ATOM 0 HG2 GLU A 73 -17.390 -0.647 1.355 1.00 33.42 H new ATOM 0 HG3 GLU A 73 -16.634 -1.152 2.853 1.00 33.42 H new ATOM 1152 N GLU A 74 -16.870 2.908 3.365 1.00 70.12 N ATOM 1153 CA GLU A 74 -15.937 3.817 2.711 1.00 5.54 C ATOM 1154 C GLU A 74 -14.619 3.888 3.479 1.00 54.54 C ATOM 1155 O GLU A 74 -13.612 4.375 2.962 1.00 31.11 O ATOM 1156 CB GLU A 74 -16.548 5.215 2.597 1.00 41.40 C ATOM 1157 CG GLU A 74 -16.687 5.703 1.164 1.00 24.15 C ATOM 1158 CD GLU A 74 -17.893 6.600 0.967 1.00 30.43 C ATOM 1159 OE1 GLU A 74 -19.015 6.165 1.301 1.00 72.33 O ATOM 1160 OE2 GLU A 74 -17.716 7.735 0.479 1.00 40.20 O ATOM 0 H GLU A 74 -17.693 3.361 3.762 1.00 70.12 H new ATOM 0 HA GLU A 74 -15.736 3.433 1.711 1.00 5.54 H new ATOM 0 HB2 GLU A 74 -17.531 5.212 3.068 1.00 41.40 H new ATOM 0 HB3 GLU A 74 -15.930 5.919 3.154 1.00 41.40 H new ATOM 0 HG2 GLU A 74 -15.785 6.246 0.880 1.00 24.15 H new ATOM 0 HG3 GLU A 74 -16.765 4.844 0.498 1.00 24.15 H new ATOM 1167 N LEU A 75 -14.634 3.400 4.714 1.00 42.34 N ATOM 1168 CA LEU A 75 -13.441 3.408 5.553 1.00 30.45 C ATOM 1169 C LEU A 75 -12.783 2.031 5.576 1.00 5.43 C ATOM 1170 O LEU A 75 -11.562 1.919 5.700 1.00 73.34 O ATOM 1171 CB LEU A 75 -13.799 3.838 6.978 1.00 41.14 C ATOM 1172 CG LEU A 75 -12.621 4.059 7.928 1.00 65.21 C ATOM 1173 CD1 LEU A 75 -11.934 5.382 7.627 1.00 24.30 C ATOM 1174 CD2 LEU A 75 -13.088 4.015 9.375 1.00 54.53 C ATOM 0 H LEU A 75 -15.458 2.994 5.157 1.00 42.34 H new ATOM 0 HA LEU A 75 -12.734 4.122 5.131 1.00 30.45 H new ATOM 0 HB2 LEU A 75 -14.374 4.762 6.924 1.00 41.14 H new ATOM 0 HB3 LEU A 75 -14.452 3.081 7.411 1.00 41.14 H new ATOM 0 HG LEU A 75 -11.900 3.256 7.776 1.00 65.21 H new ATOM 0 HD11 LEU A 75 -11.098 5.522 8.313 1.00 24.30 H new ATOM 0 HD12 LEU A 75 -11.565 5.375 6.601 1.00 24.30 H new ATOM 0 HD13 LEU A 75 -12.646 6.198 7.751 1.00 24.30 H new ATOM 0 HD21 LEU A 75 -12.237 4.174 10.037 1.00 54.53 H new ATOM 0 HD22 LEU A 75 -13.829 4.797 9.542 1.00 54.53 H new ATOM 0 HD23 LEU A 75 -13.533 3.042 9.584 1.00 54.53 H new ATOM 1186 N ARG A 76 -13.597 0.989 5.455 1.00 51.10 N ATOM 1187 CA ARG A 76 -13.093 -0.379 5.461 1.00 73.14 C ATOM 1188 C ARG A 76 -12.047 -0.577 4.368 1.00 61.44 C ATOM 1189 O ARG A 76 -11.068 -1.299 4.557 1.00 40.23 O ATOM 1190 CB ARG A 76 -14.243 -1.369 5.265 1.00 13.12 C ATOM 1191 CG ARG A 76 -15.143 -1.505 6.483 1.00 23.43 C ATOM 1192 CD ARG A 76 -15.041 -2.893 7.097 1.00 31.25 C ATOM 1193 NE ARG A 76 -15.668 -2.954 8.416 1.00 34.40 N ATOM 1194 CZ ARG A 76 -15.668 -4.042 9.179 1.00 3.34 C ATOM 1195 NH1 ARG A 76 -15.076 -5.151 8.758 1.00 13.33 N ATOM 1196 NH2 ARG A 76 -16.259 -4.020 10.367 1.00 45.31 N ATOM 0 H ARG A 76 -14.609 1.065 5.352 1.00 51.10 H new ATOM 0 HA ARG A 76 -12.624 -0.563 6.428 1.00 73.14 H new ATOM 0 HB2 ARG A 76 -14.844 -1.051 4.413 1.00 13.12 H new ATOM 0 HB3 ARG A 76 -13.831 -2.347 5.017 1.00 13.12 H new ATOM 0 HG2 ARG A 76 -14.868 -0.756 7.226 1.00 23.43 H new ATOM 0 HG3 ARG A 76 -16.176 -1.307 6.198 1.00 23.43 H new ATOM 0 HD2 ARG A 76 -15.516 -3.618 6.436 1.00 31.25 H new ATOM 0 HD3 ARG A 76 -13.992 -3.177 7.180 1.00 31.25 H new ATOM 0 HE ARG A 76 -16.130 -2.116 8.770 1.00 34.40 H new ATOM 0 HH11 ARG A 76 -14.619 -5.171 7.846 1.00 13.33 H new ATOM 0 HH12 ARG A 76 -15.078 -5.985 9.346 1.00 13.33 H new ATOM 0 HH21 ARG A 76 -16.714 -3.168 10.695 1.00 45.31 H new ATOM 0 HH22 ARG A 76 -16.259 -4.855 10.952 1.00 45.31 H new ATOM 1210 N SER A 77 -12.261 0.068 3.226 1.00 41.50 N ATOM 1211 CA SER A 77 -11.339 -0.041 2.102 1.00 44.31 C ATOM 1212 C SER A 77 -9.951 0.460 2.488 1.00 43.42 C ATOM 1213 O SER A 77 -8.938 -0.040 1.997 1.00 52.14 O ATOM 1214 CB SER A 77 -11.865 0.753 0.904 1.00 32.34 C ATOM 1215 OG SER A 77 -10.918 0.773 -0.150 1.00 0.14 O ATOM 0 H SER A 77 -13.065 0.672 3.055 1.00 41.50 H new ATOM 0 HA SER A 77 -11.264 -1.093 1.827 1.00 44.31 H new ATOM 0 HB2 SER A 77 -12.797 0.311 0.551 1.00 32.34 H new ATOM 0 HB3 SER A 77 -12.093 1.774 1.212 1.00 32.34 H new ATOM 0 HG SER A 77 -10.327 1.548 -0.044 1.00 0.14 H new ATOM 1221 N LEU A 78 -9.911 1.452 3.370 1.00 13.55 N ATOM 1222 CA LEU A 78 -8.648 2.023 3.824 1.00 2.33 C ATOM 1223 C LEU A 78 -7.941 1.080 4.792 1.00 4.44 C ATOM 1224 O LEU A 78 -6.783 0.715 4.585 1.00 20.21 O ATOM 1225 CB LEU A 78 -8.888 3.376 4.496 1.00 11.35 C ATOM 1226 CG LEU A 78 -8.387 4.603 3.735 1.00 72.23 C ATOM 1227 CD1 LEU A 78 -6.935 4.417 3.319 1.00 72.50 C ATOM 1228 CD2 LEU A 78 -9.262 4.870 2.518 1.00 21.33 C ATOM 0 H LEU A 78 -10.739 1.878 3.785 1.00 13.55 H new ATOM 0 HA LEU A 78 -8.009 2.166 2.953 1.00 2.33 H new ATOM 0 HB2 LEU A 78 -9.959 3.490 4.664 1.00 11.35 H new ATOM 0 HB3 LEU A 78 -8.411 3.362 5.476 1.00 11.35 H new ATOM 0 HG LEU A 78 -8.446 5.467 4.397 1.00 72.23 H new ATOM 0 HD11 LEU A 78 -6.595 5.300 2.778 1.00 72.50 H new ATOM 0 HD12 LEU A 78 -6.318 4.275 4.206 1.00 72.50 H new ATOM 0 HD13 LEU A 78 -6.850 3.542 2.674 1.00 72.50 H new ATOM 0 HD21 LEU A 78 -8.891 5.747 1.988 1.00 21.33 H new ATOM 0 HD22 LEU A 78 -9.235 4.006 1.854 1.00 21.33 H new ATOM 0 HD23 LEU A 78 -10.288 5.048 2.840 1.00 21.33 H new ATOM 1240 N TYR A 79 -8.644 0.688 5.848 1.00 61.21 N ATOM 1241 CA TYR A 79 -8.085 -0.213 6.849 1.00 64.54 C ATOM 1242 C TYR A 79 -7.416 -1.414 6.187 1.00 71.40 C ATOM 1243 O TYR A 79 -6.262 -1.733 6.472 1.00 54.54 O ATOM 1244 CB TYR A 79 -9.178 -0.687 7.808 1.00 62.35 C ATOM 1245 CG TYR A 79 -8.643 -1.234 9.112 1.00 12.41 C ATOM 1246 CD1 TYR A 79 -8.125 -2.520 9.190 1.00 31.33 C ATOM 1247 CD2 TYR A 79 -8.656 -0.462 10.267 1.00 5.34 C ATOM 1248 CE1 TYR A 79 -7.637 -3.023 10.380 1.00 10.04 C ATOM 1249 CE2 TYR A 79 -8.167 -0.956 11.462 1.00 14.43 C ATOM 1250 CZ TYR A 79 -7.660 -2.237 11.513 1.00 23.22 C ATOM 1251 OH TYR A 79 -7.173 -2.734 12.701 1.00 41.20 O ATOM 0 H TYR A 79 -9.603 0.980 6.033 1.00 61.21 H new ATOM 0 HA TYR A 79 -7.330 0.335 7.413 1.00 64.54 H new ATOM 0 HB2 TYR A 79 -9.849 0.145 8.021 1.00 62.35 H new ATOM 0 HB3 TYR A 79 -9.772 -1.458 7.317 1.00 62.35 H new ATOM 0 HD1 TYR A 79 -8.103 -3.138 8.304 1.00 31.33 H new ATOM 0 HD2 TYR A 79 -9.055 0.541 10.231 1.00 5.34 H new ATOM 0 HE1 TYR A 79 -7.240 -4.026 10.423 1.00 10.04 H new ATOM 0 HE2 TYR A 79 -8.182 -0.342 12.350 1.00 14.43 H new ATOM 0 HH TYR A 79 -7.261 -2.054 13.401 1.00 41.20 H new ATOM 1261 N ASN A 80 -8.151 -2.078 5.301 1.00 71.24 N ATOM 1262 CA ASN A 80 -7.631 -3.245 4.597 1.00 52.23 C ATOM 1263 C ASN A 80 -6.244 -2.964 4.027 1.00 11.43 C ATOM 1264 O ASN A 80 -5.251 -3.542 4.469 1.00 62.31 O ATOM 1265 CB ASN A 80 -8.584 -3.654 3.471 1.00 41.22 C ATOM 1266 CG ASN A 80 -9.714 -4.537 3.961 1.00 32.44 C ATOM 1267 OD1 ASN A 80 -10.091 -4.489 5.132 1.00 32.02 O ATOM 1268 ND2 ASN A 80 -10.261 -5.350 3.065 1.00 54.03 N ATOM 0 H ASN A 80 -9.108 -1.828 5.053 1.00 71.24 H new ATOM 0 HA ASN A 80 -7.551 -4.064 5.312 1.00 52.23 H new ATOM 0 HB2 ASN A 80 -9.000 -2.759 3.009 1.00 41.22 H new ATOM 0 HB3 ASN A 80 -8.024 -4.181 2.698 1.00 41.22 H new ATOM 0 HD21 ASN A 80 -11.026 -5.968 3.337 1.00 54.03 H new ATOM 0 HD22 ASN A 80 -9.917 -5.357 2.105 1.00 54.03 H new ATOM 1275 N THR A 81 -6.184 -2.071 3.044 1.00 1.44 N ATOM 1276 CA THR A 81 -4.919 -1.713 2.414 1.00 1.22 C ATOM 1277 C THR A 81 -3.871 -1.340 3.457 1.00 60.21 C ATOM 1278 O THR A 81 -2.786 -1.921 3.495 1.00 23.11 O ATOM 1279 CB THR A 81 -5.093 -0.536 1.436 1.00 42.23 C ATOM 1280 OG1 THR A 81 -6.039 -0.881 0.417 1.00 20.44 O ATOM 1281 CG2 THR A 81 -3.763 -0.165 0.794 1.00 15.41 C ATOM 0 H THR A 81 -6.996 -1.583 2.667 1.00 1.44 H new ATOM 0 HA THR A 81 -4.582 -2.590 1.861 1.00 1.22 H new ATOM 0 HB THR A 81 -5.461 0.323 1.998 1.00 42.23 H new ATOM 0 HG1 THR A 81 -6.145 -0.127 -0.200 1.00 20.44 H new ATOM 0 HG21 THR A 81 -3.910 0.668 0.107 1.00 15.41 H new ATOM 0 HG22 THR A 81 -3.053 0.124 1.569 1.00 15.41 H new ATOM 0 HG23 THR A 81 -3.372 -1.022 0.246 1.00 15.41 H new ATOM 1289 N ILE A 82 -4.203 -0.370 4.302 1.00 25.41 N ATOM 1290 CA ILE A 82 -3.290 0.077 5.347 1.00 0.42 C ATOM 1291 C ILE A 82 -2.606 -1.106 6.023 1.00 4.01 C ATOM 1292 O ILE A 82 -1.385 -1.124 6.178 1.00 24.30 O ATOM 1293 CB ILE A 82 -4.022 0.912 6.415 1.00 31.44 C ATOM 1294 CG1 ILE A 82 -4.531 2.221 5.810 1.00 53.42 C ATOM 1295 CG2 ILE A 82 -3.101 1.190 7.593 1.00 65.11 C ATOM 1296 CD1 ILE A 82 -5.672 2.842 6.586 1.00 3.03 C ATOM 0 H ILE A 82 -5.097 0.121 4.284 1.00 25.41 H new ATOM 0 HA ILE A 82 -2.538 0.700 4.863 1.00 0.42 H new ATOM 0 HB ILE A 82 -4.879 0.343 6.775 1.00 31.44 H new ATOM 0 HG12 ILE A 82 -3.707 2.933 5.759 1.00 53.42 H new ATOM 0 HG13 ILE A 82 -4.857 2.036 4.786 1.00 53.42 H new ATOM 0 HG21 ILE A 82 -3.633 1.781 8.339 1.00 65.11 H new ATOM 0 HG22 ILE A 82 -2.783 0.247 8.037 1.00 65.11 H new ATOM 0 HG23 ILE A 82 -2.227 1.742 7.249 1.00 65.11 H new ATOM 0 HD11 ILE A 82 -5.982 3.767 6.100 1.00 3.03 H new ATOM 0 HD12 ILE A 82 -6.512 2.148 6.615 1.00 3.03 H new ATOM 0 HD13 ILE A 82 -5.345 3.059 7.603 1.00 3.03 H new ATOM 1308 N ALA A 83 -3.401 -2.093 6.422 1.00 2.20 N ATOM 1309 CA ALA A 83 -2.872 -3.283 7.079 1.00 44.31 C ATOM 1310 C ALA A 83 -1.953 -4.062 6.143 1.00 3.43 C ATOM 1311 O ALA A 83 -0.915 -4.576 6.562 1.00 13.52 O ATOM 1312 CB ALA A 83 -4.010 -4.169 7.562 1.00 0.35 C ATOM 0 H ALA A 83 -4.414 -2.093 6.302 1.00 2.20 H new ATOM 0 HA ALA A 83 -2.285 -2.963 7.940 1.00 44.31 H new ATOM 0 HB1 ALA A 83 -3.601 -5.053 8.050 1.00 0.35 H new ATOM 0 HB2 ALA A 83 -4.626 -3.616 8.271 1.00 0.35 H new ATOM 0 HB3 ALA A 83 -4.620 -4.474 6.712 1.00 0.35 H new ATOM 1318 N VAL A 84 -2.341 -4.147 4.875 1.00 12.41 N ATOM 1319 CA VAL A 84 -1.552 -4.864 3.880 1.00 23.24 C ATOM 1320 C VAL A 84 -0.217 -4.170 3.634 1.00 20.10 C ATOM 1321 O VAL A 84 0.777 -4.813 3.296 1.00 71.53 O ATOM 1322 CB VAL A 84 -2.309 -4.986 2.545 1.00 41.11 C ATOM 1323 CG1 VAL A 84 -1.612 -5.977 1.625 1.00 60.01 C ATOM 1324 CG2 VAL A 84 -3.753 -5.395 2.788 1.00 71.53 C ATOM 0 H VAL A 84 -3.197 -3.728 4.512 1.00 12.41 H new ATOM 0 HA VAL A 84 -1.371 -5.862 4.278 1.00 23.24 H new ATOM 0 HB VAL A 84 -2.309 -4.012 2.056 1.00 41.11 H new ATOM 0 HG11 VAL A 84 -2.161 -6.050 0.686 1.00 60.01 H new ATOM 0 HG12 VAL A 84 -0.596 -5.636 1.425 1.00 60.01 H new ATOM 0 HG13 VAL A 84 -1.579 -6.956 2.103 1.00 60.01 H new ATOM 0 HG21 VAL A 84 -4.274 -5.477 1.834 1.00 71.53 H new ATOM 0 HG22 VAL A 84 -3.777 -6.358 3.298 1.00 71.53 H new ATOM 0 HG23 VAL A 84 -4.245 -4.644 3.406 1.00 71.53 H new ATOM 1334 N LEU A 85 -0.201 -2.853 3.807 1.00 65.30 N ATOM 1335 CA LEU A 85 1.014 -2.070 3.604 1.00 51.03 C ATOM 1336 C LEU A 85 1.982 -2.254 4.767 1.00 34.41 C ATOM 1337 O LEU A 85 3.189 -2.394 4.568 1.00 52.23 O ATOM 1338 CB LEU A 85 0.668 -0.589 3.444 1.00 51.31 C ATOM 1339 CG LEU A 85 1.854 0.368 3.319 1.00 51.14 C ATOM 1340 CD1 LEU A 85 2.852 -0.150 2.295 1.00 32.25 C ATOM 1341 CD2 LEU A 85 1.377 1.763 2.942 1.00 1.33 C ATOM 0 H LEU A 85 -1.014 -2.305 4.087 1.00 65.30 H new ATOM 0 HA LEU A 85 1.497 -2.425 2.694 1.00 51.03 H new ATOM 0 HB2 LEU A 85 0.041 -0.476 2.559 1.00 51.31 H new ATOM 0 HB3 LEU A 85 0.068 -0.282 4.301 1.00 51.31 H new ATOM 0 HG LEU A 85 2.353 0.425 4.286 1.00 51.14 H new ATOM 0 HD11 LEU A 85 3.689 0.544 2.220 1.00 32.25 H new ATOM 0 HD12 LEU A 85 3.218 -1.128 2.607 1.00 32.25 H new ATOM 0 HD13 LEU A 85 2.365 -0.238 1.324 1.00 32.25 H new ATOM 0 HD21 LEU A 85 2.235 2.430 2.858 1.00 1.33 H new ATOM 0 HD22 LEU A 85 0.853 1.723 1.987 1.00 1.33 H new ATOM 0 HD23 LEU A 85 0.701 2.137 3.711 1.00 1.33 H new ATOM 1353 N TYR A 86 1.445 -2.258 5.982 1.00 14.41 N ATOM 1354 CA TYR A 86 2.261 -2.426 7.179 1.00 42.31 C ATOM 1355 C TYR A 86 3.217 -3.605 7.025 1.00 43.11 C ATOM 1356 O TYR A 86 4.400 -3.507 7.354 1.00 63.24 O ATOM 1357 CB TYR A 86 1.371 -2.634 8.404 1.00 71.12 C ATOM 1358 CG TYR A 86 2.138 -2.999 9.655 1.00 15.10 C ATOM 1359 CD1 TYR A 86 2.784 -2.026 10.407 1.00 10.40 C ATOM 1360 CD2 TYR A 86 2.214 -4.318 10.086 1.00 65.41 C ATOM 1361 CE1 TYR A 86 3.486 -2.355 11.550 1.00 21.21 C ATOM 1362 CE2 TYR A 86 2.914 -4.657 11.228 1.00 0.43 C ATOM 1363 CZ TYR A 86 3.548 -3.672 11.957 1.00 71.15 C ATOM 1364 OH TYR A 86 4.245 -4.004 13.095 1.00 43.20 O ATOM 0 H TYR A 86 0.448 -2.147 6.164 1.00 14.41 H new ATOM 0 HA TYR A 86 2.850 -1.519 7.316 1.00 42.31 H new ATOM 0 HB2 TYR A 86 0.803 -1.722 8.589 1.00 71.12 H new ATOM 0 HB3 TYR A 86 0.648 -3.421 8.188 1.00 71.12 H new ATOM 0 HD1 TYR A 86 2.736 -0.994 10.092 1.00 10.40 H new ATOM 0 HD2 TYR A 86 1.717 -5.091 9.519 1.00 65.41 H new ATOM 0 HE1 TYR A 86 3.984 -1.586 12.122 1.00 21.21 H new ATOM 0 HE2 TYR A 86 2.965 -5.687 11.548 1.00 0.43 H new ATOM 0 HH TYR A 86 4.695 -4.865 12.964 1.00 43.20 H new ATOM 1374 N CYS A 87 2.696 -4.719 6.522 1.00 44.14 N ATOM 1375 CA CYS A 87 3.502 -5.918 6.323 1.00 21.22 C ATOM 1376 C CYS A 87 4.557 -5.691 5.246 1.00 60.44 C ATOM 1377 O CYS A 87 5.672 -6.207 5.335 1.00 52.33 O ATOM 1378 CB CYS A 87 2.610 -7.100 5.940 1.00 51.43 C ATOM 1379 SG CYS A 87 1.851 -7.940 7.350 1.00 12.33 S ATOM 0 H CYS A 87 1.719 -4.817 6.245 1.00 44.14 H new ATOM 0 HA CYS A 87 4.009 -6.145 7.261 1.00 21.22 H new ATOM 0 HB2 CYS A 87 1.822 -6.746 5.275 1.00 51.43 H new ATOM 0 HB3 CYS A 87 3.203 -7.821 5.377 1.00 51.43 H new ATOM 0 HG CYS A 87 2.051 -9.221 7.251 1.00 12.33 H new ATOM 1385 N VAL A 88 4.198 -4.920 4.225 1.00 51.32 N ATOM 1386 CA VAL A 88 5.114 -4.625 3.129 1.00 41.00 C ATOM 1387 C VAL A 88 6.380 -3.944 3.638 1.00 53.32 C ATOM 1388 O VAL A 88 7.449 -4.074 3.042 1.00 4.35 O ATOM 1389 CB VAL A 88 4.451 -3.726 2.070 1.00 53.24 C ATOM 1390 CG1 VAL A 88 5.431 -3.404 0.951 1.00 33.52 C ATOM 1391 CG2 VAL A 88 3.197 -4.388 1.517 1.00 51.31 C ATOM 0 H VAL A 88 3.279 -4.488 4.134 1.00 51.32 H new ATOM 0 HA VAL A 88 5.377 -5.579 2.672 1.00 41.00 H new ATOM 0 HB VAL A 88 4.160 -2.790 2.546 1.00 53.24 H new ATOM 0 HG11 VAL A 88 4.944 -2.768 0.212 1.00 33.52 H new ATOM 0 HG12 VAL A 88 6.296 -2.884 1.363 1.00 33.52 H new ATOM 0 HG13 VAL A 88 5.756 -4.329 0.475 1.00 33.52 H new ATOM 0 HG21 VAL A 88 2.742 -3.738 0.770 1.00 51.31 H new ATOM 0 HG22 VAL A 88 3.461 -5.340 1.057 1.00 51.31 H new ATOM 0 HG23 VAL A 88 2.489 -4.560 2.328 1.00 51.31 H new ATOM 1401 N HIS A 89 6.250 -3.218 4.744 1.00 73.23 N ATOM 1402 CA HIS A 89 7.384 -2.516 5.335 1.00 23.11 C ATOM 1403 C HIS A 89 8.013 -3.346 6.451 1.00 45.22 C ATOM 1404 O HIS A 89 9.202 -3.147 6.700 1.00 12.15 O ATOM 1405 CB HIS A 89 6.942 -1.158 5.882 1.00 45.13 C ATOM 1406 CG HIS A 89 6.393 -0.240 4.832 1.00 21.15 C ATOM 1407 ND1 HIS A 89 6.935 -0.132 3.569 1.00 52.22 N ATOM 1408 CD2 HIS A 89 5.342 0.612 4.863 1.00 2.15 C ATOM 1409 CE1 HIS A 89 6.242 0.750 2.870 1.00 33.51 C ATOM 1410 NE2 HIS A 89 5.269 1.215 3.633 1.00 3.13 N ATOM 0 H HIS A 89 5.371 -3.100 5.249 1.00 73.23 H new ATOM 0 HA HIS A 89 8.130 -2.360 4.556 1.00 23.11 H new ATOM 0 HB2 HIS A 89 6.184 -1.314 6.649 1.00 45.13 H new ATOM 0 HB3 HIS A 89 7.792 -0.676 6.366 1.00 45.13 H new ATOM 0 HD2 HIS A 89 4.683 0.785 5.701 1.00 2.15 H new ATOM 0 HE1 HIS A 89 6.438 1.041 1.849 1.00 33.51 H new ATOM 0 HE2 HIS A 89 4.576 1.909 3.353 1.00 3.13 H new ATOM 1419 N GLN A 90 7.274 -4.236 7.105 1.00 4.30 N ATOM 1420 CA GLN A 90 7.832 -5.050 8.178 1.00 5.11 C ATOM 1421 C GLN A 90 8.434 -6.339 7.627 1.00 10.22 C ATOM 1422 O GLN A 90 8.815 -7.231 8.386 1.00 13.42 O ATOM 1423 CB GLN A 90 6.753 -5.378 9.211 1.00 11.31 C ATOM 1424 CG GLN A 90 6.788 -4.476 10.435 1.00 75.04 C ATOM 1425 CD GLN A 90 6.861 -5.255 11.732 1.00 22.44 C ATOM 1426 OE1 GLN A 90 6.000 -6.086 12.021 1.00 62.31 O ATOM 1427 NE2 GLN A 90 7.893 -4.990 12.524 1.00 4.13 N ATOM 0 H GLN A 90 6.288 -4.412 6.911 1.00 4.30 H new ATOM 0 HA GLN A 90 8.625 -4.478 8.660 1.00 5.11 H new ATOM 0 HB2 GLN A 90 5.774 -5.298 8.739 1.00 11.31 H new ATOM 0 HB3 GLN A 90 6.870 -6.414 9.530 1.00 11.31 H new ATOM 0 HG2 GLN A 90 7.648 -3.810 10.367 1.00 75.04 H new ATOM 0 HG3 GLN A 90 5.898 -3.847 10.443 1.00 75.04 H new ATOM 0 HE21 GLN A 90 8.584 -4.293 12.245 1.00 4.13 H new ATOM 0 HE22 GLN A 90 7.995 -5.483 13.411 1.00 4.13 H new ATOM 1436 N ARG A 91 8.517 -6.429 6.305 1.00 61.15 N ATOM 1437 CA ARG A 91 9.071 -7.609 5.652 1.00 24.22 C ATOM 1438 C ARG A 91 8.271 -8.856 6.014 1.00 22.44 C ATOM 1439 O ARG A 91 8.834 -9.863 6.446 1.00 21.32 O ATOM 1440 CB ARG A 91 10.537 -7.797 6.051 1.00 43.44 C ATOM 1441 CG ARG A 91 11.501 -6.945 5.241 1.00 63.20 C ATOM 1442 CD ARG A 91 12.254 -5.962 6.126 1.00 55.12 C ATOM 1443 NE ARG A 91 13.496 -6.529 6.641 1.00 23.11 N ATOM 1444 CZ ARG A 91 14.580 -6.722 5.898 1.00 41.22 C ATOM 1445 NH1 ARG A 91 14.573 -6.394 4.613 1.00 65.10 N ATOM 1446 NH2 ARG A 91 15.674 -7.243 6.439 1.00 33.41 N ATOM 0 H ARG A 91 8.208 -5.699 5.664 1.00 61.15 H new ATOM 0 HA ARG A 91 9.011 -7.460 4.574 1.00 24.22 H new ATOM 0 HB2 ARG A 91 10.651 -7.556 7.108 1.00 43.44 H new ATOM 0 HB3 ARG A 91 10.805 -8.847 5.933 1.00 43.44 H new ATOM 0 HG2 ARG A 91 12.212 -7.589 4.724 1.00 63.20 H new ATOM 0 HG3 ARG A 91 10.950 -6.399 4.475 1.00 63.20 H new ATOM 0 HD2 ARG A 91 12.476 -5.059 5.557 1.00 55.12 H new ATOM 0 HD3 ARG A 91 11.618 -5.665 6.960 1.00 55.12 H new ATOM 0 HE ARG A 91 13.534 -6.792 7.626 1.00 23.11 H new ATOM 0 HH11 ARG A 91 13.734 -5.993 4.194 1.00 65.10 H new ATOM 0 HH12 ARG A 91 15.406 -6.543 4.044 1.00 65.10 H new ATOM 0 HH21 ARG A 91 15.683 -7.496 7.427 1.00 33.41 H new ATOM 0 HH22 ARG A 91 16.505 -7.390 5.867 1.00 33.41 H new ATOM 1460 N ILE A 92 6.957 -8.782 5.837 1.00 34.12 N ATOM 1461 CA ILE A 92 6.080 -9.905 6.145 1.00 73.32 C ATOM 1462 C ILE A 92 5.239 -10.295 4.933 1.00 41.22 C ATOM 1463 O ILE A 92 4.638 -9.441 4.282 1.00 54.33 O ATOM 1464 CB ILE A 92 5.143 -9.582 7.323 1.00 53.52 C ATOM 1465 CG1 ILE A 92 5.952 -9.107 8.532 1.00 43.03 C ATOM 1466 CG2 ILE A 92 4.305 -10.800 7.684 1.00 2.41 C ATOM 1467 CD1 ILE A 92 5.099 -8.754 9.729 1.00 13.15 C ATOM 0 H ILE A 92 6.476 -7.956 5.482 1.00 34.12 H new ATOM 0 HA ILE A 92 6.723 -10.740 6.422 1.00 73.32 H new ATOM 0 HB ILE A 92 4.470 -8.779 7.022 1.00 53.52 H new ATOM 0 HG12 ILE A 92 6.657 -9.888 8.816 1.00 43.03 H new ATOM 0 HG13 ILE A 92 6.540 -8.235 8.245 1.00 43.03 H new ATOM 0 HG21 ILE A 92 3.648 -10.555 8.519 1.00 2.41 H new ATOM 0 HG22 ILE A 92 3.704 -11.096 6.824 1.00 2.41 H new ATOM 0 HG23 ILE A 92 4.962 -11.622 7.968 1.00 2.41 H new ATOM 0 HD11 ILE A 92 5.739 -8.426 10.548 1.00 13.15 H new ATOM 0 HD12 ILE A 92 4.411 -7.952 9.462 1.00 13.15 H new ATOM 0 HD13 ILE A 92 4.530 -9.630 10.042 1.00 13.15 H new ATOM 1479 N ASP A 93 5.202 -11.589 4.638 1.00 40.34 N ATOM 1480 CA ASP A 93 4.432 -12.093 3.506 1.00 23.00 C ATOM 1481 C ASP A 93 3.072 -12.610 3.961 1.00 43.40 C ATOM 1482 O ASP A 93 2.983 -13.605 4.681 1.00 3.20 O ATOM 1483 CB ASP A 93 5.203 -13.205 2.793 1.00 70.51 C ATOM 1484 CG ASP A 93 4.636 -13.516 1.422 1.00 44.42 C ATOM 1485 OD1 ASP A 93 3.467 -13.157 1.167 1.00 11.41 O ATOM 1486 OD2 ASP A 93 5.362 -14.115 0.601 1.00 50.40 O ATOM 0 H ASP A 93 5.696 -12.308 5.166 1.00 40.34 H new ATOM 0 HA ASP A 93 4.272 -11.269 2.811 1.00 23.00 H new ATOM 0 HB2 ASP A 93 6.248 -12.912 2.693 1.00 70.51 H new ATOM 0 HB3 ASP A 93 5.182 -14.107 3.405 1.00 70.51 H new ATOM 1491 N VAL A 94 2.012 -11.928 3.536 1.00 23.15 N ATOM 1492 CA VAL A 94 0.656 -12.319 3.900 1.00 44.42 C ATOM 1493 C VAL A 94 -0.015 -13.091 2.770 1.00 31.12 C ATOM 1494 O VAL A 94 0.192 -12.797 1.593 1.00 2.21 O ATOM 1495 CB VAL A 94 -0.206 -11.091 4.251 1.00 55.12 C ATOM 1496 CG1 VAL A 94 0.393 -10.337 5.428 1.00 10.12 C ATOM 1497 CG2 VAL A 94 -0.352 -10.180 3.042 1.00 43.12 C ATOM 0 H VAL A 94 2.067 -11.102 2.940 1.00 23.15 H new ATOM 0 HA VAL A 94 0.736 -12.961 4.777 1.00 44.42 H new ATOM 0 HB VAL A 94 -1.199 -11.436 4.539 1.00 55.12 H new ATOM 0 HG11 VAL A 94 -0.229 -9.473 5.661 1.00 10.12 H new ATOM 0 HG12 VAL A 94 0.440 -10.995 6.296 1.00 10.12 H new ATOM 0 HG13 VAL A 94 1.398 -10.002 5.172 1.00 10.12 H new ATOM 0 HG21 VAL A 94 -0.964 -9.318 3.308 1.00 43.12 H new ATOM 0 HG22 VAL A 94 0.633 -9.841 2.721 1.00 43.12 H new ATOM 0 HG23 VAL A 94 -0.830 -10.727 2.230 1.00 43.12 H new ATOM 1507 N LYS A 95 -0.822 -14.081 3.136 1.00 34.33 N ATOM 1508 CA LYS A 95 -1.526 -14.896 2.154 1.00 35.32 C ATOM 1509 C LYS A 95 -2.709 -14.136 1.562 1.00 10.23 C ATOM 1510 O LYS A 95 -3.167 -14.440 0.461 1.00 34.42 O ATOM 1511 CB LYS A 95 -2.015 -16.198 2.796 1.00 5.54 C ATOM 1512 CG LYS A 95 -1.262 -17.428 2.323 1.00 21.45 C ATOM 1513 CD LYS A 95 -2.121 -18.679 2.419 1.00 42.21 C ATOM 1514 CE LYS A 95 -1.632 -19.764 1.473 1.00 74.14 C ATOM 1515 NZ LYS A 95 -2.481 -20.985 1.544 1.00 30.32 N ATOM 0 H LYS A 95 -1.005 -14.338 4.106 1.00 34.33 H new ATOM 0 HA LYS A 95 -0.829 -15.132 1.350 1.00 35.32 H new ATOM 0 HB2 LYS A 95 -1.920 -16.118 3.879 1.00 5.54 H new ATOM 0 HB3 LYS A 95 -3.075 -16.325 2.578 1.00 5.54 H new ATOM 0 HG2 LYS A 95 -0.940 -17.285 1.291 1.00 21.45 H new ATOM 0 HG3 LYS A 95 -0.361 -17.557 2.923 1.00 21.45 H new ATOM 0 HD2 LYS A 95 -2.107 -19.054 3.442 1.00 42.21 H new ATOM 0 HD3 LYS A 95 -3.156 -18.430 2.185 1.00 42.21 H new ATOM 0 HE2 LYS A 95 -1.630 -19.382 0.452 1.00 74.14 H new ATOM 0 HE3 LYS A 95 -0.602 -20.023 1.719 1.00 74.14 H new ATOM 0 HZ1 LYS A 95 -2.115 -21.701 0.885 1.00 30.32 H new ATOM 0 HZ2 LYS A 95 -2.463 -21.364 2.512 1.00 30.32 H new ATOM 0 HZ3 LYS A 95 -3.459 -20.743 1.285 1.00 30.32 H new ATOM 1529 N ASP A 96 -3.197 -13.144 2.300 1.00 64.42 N ATOM 1530 CA ASP A 96 -4.324 -12.337 1.846 1.00 21.54 C ATOM 1531 C ASP A 96 -4.589 -11.183 2.808 1.00 63.51 C ATOM 1532 O ASP A 96 -3.884 -11.018 3.805 1.00 44.43 O ATOM 1533 CB ASP A 96 -5.578 -13.204 1.712 1.00 3.51 C ATOM 1534 CG ASP A 96 -5.834 -14.045 2.947 1.00 14.31 C ATOM 1535 OD1 ASP A 96 -6.344 -13.493 3.945 1.00 53.02 O ATOM 1536 OD2 ASP A 96 -5.528 -15.255 2.915 1.00 14.51 O ATOM 0 H ASP A 96 -2.830 -12.880 3.214 1.00 64.42 H new ATOM 0 HA ASP A 96 -4.072 -11.922 0.870 1.00 21.54 H new ATOM 0 HB2 ASP A 96 -6.441 -12.564 1.526 1.00 3.51 H new ATOM 0 HB3 ASP A 96 -5.474 -13.858 0.846 1.00 3.51 H new ATOM 1541 N THR A 97 -5.609 -10.387 2.504 1.00 42.24 N ATOM 1542 CA THR A 97 -5.964 -9.247 3.339 1.00 75.31 C ATOM 1543 C THR A 97 -6.149 -9.668 4.793 1.00 30.13 C ATOM 1544 O THR A 97 -5.508 -9.126 5.694 1.00 50.03 O ATOM 1545 CB THR A 97 -7.257 -8.570 2.845 1.00 63.52 C ATOM 1546 OG1 THR A 97 -7.038 -7.977 1.561 1.00 61.13 O ATOM 1547 CG2 THR A 97 -7.721 -7.508 3.828 1.00 14.43 C ATOM 0 H THR A 97 -6.204 -10.511 1.685 1.00 42.24 H new ATOM 0 HA THR A 97 -5.141 -8.536 3.270 1.00 75.31 H new ATOM 0 HB THR A 97 -8.033 -9.331 2.766 1.00 63.52 H new ATOM 0 HG1 THR A 97 -7.350 -8.588 0.861 1.00 61.13 H new ATOM 0 HG21 THR A 97 -8.635 -7.044 3.458 1.00 14.43 H new ATOM 0 HG22 THR A 97 -7.914 -7.969 4.797 1.00 14.43 H new ATOM 0 HG23 THR A 97 -6.947 -6.749 3.936 1.00 14.43 H new ATOM 1555 N LYS A 98 -7.029 -10.639 5.016 1.00 12.32 N ATOM 1556 CA LYS A 98 -7.297 -11.135 6.360 1.00 23.04 C ATOM 1557 C LYS A 98 -6.013 -11.614 7.030 1.00 33.13 C ATOM 1558 O LYS A 98 -5.694 -11.203 8.145 1.00 43.25 O ATOM 1559 CB LYS A 98 -8.316 -12.276 6.312 1.00 50.22 C ATOM 1560 CG LYS A 98 -8.607 -12.890 7.670 1.00 23.21 C ATOM 1561 CD LYS A 98 -10.086 -13.192 7.840 1.00 3.35 C ATOM 1562 CE LYS A 98 -10.754 -12.194 8.774 1.00 32.11 C ATOM 1563 NZ LYS A 98 -12.076 -12.685 9.256 1.00 42.41 N ATOM 0 H LYS A 98 -7.569 -11.098 4.282 1.00 12.32 H new ATOM 0 HA LYS A 98 -7.708 -10.314 6.947 1.00 23.04 H new ATOM 0 HB2 LYS A 98 -9.247 -11.903 5.885 1.00 50.22 H new ATOM 0 HB3 LYS A 98 -7.947 -13.053 5.643 1.00 50.22 H new ATOM 0 HG2 LYS A 98 -8.032 -13.808 7.786 1.00 23.21 H new ATOM 0 HG3 LYS A 98 -8.281 -12.208 8.456 1.00 23.21 H new ATOM 0 HD2 LYS A 98 -10.578 -13.168 6.868 1.00 3.35 H new ATOM 0 HD3 LYS A 98 -10.210 -14.201 8.234 1.00 3.35 H new ATOM 0 HE2 LYS A 98 -10.104 -12.004 9.628 1.00 32.11 H new ATOM 0 HE3 LYS A 98 -10.886 -11.244 8.256 1.00 32.11 H new ATOM 0 HZ1 LYS A 98 -12.499 -11.977 9.890 1.00 42.41 H new ATOM 0 HZ2 LYS A 98 -12.705 -12.842 8.443 1.00 42.41 H new ATOM 0 HZ3 LYS A 98 -11.947 -13.579 9.772 1.00 42.41 H new ATOM 1577 N GLU A 99 -5.281 -12.484 6.341 1.00 20.41 N ATOM 1578 CA GLU A 99 -4.031 -13.017 6.870 1.00 23.53 C ATOM 1579 C GLU A 99 -3.188 -11.910 7.495 1.00 52.41 C ATOM 1580 O GLU A 99 -2.542 -12.111 8.523 1.00 70.21 O ATOM 1581 CB GLU A 99 -3.238 -13.714 5.762 1.00 42.21 C ATOM 1582 CG GLU A 99 -2.610 -15.027 6.196 1.00 32.24 C ATOM 1583 CD GLU A 99 -3.540 -16.210 6.006 1.00 3.14 C ATOM 1584 OE1 GLU A 99 -4.610 -16.029 5.388 1.00 41.23 O ATOM 1585 OE2 GLU A 99 -3.198 -17.315 6.477 1.00 74.04 O ATOM 0 H GLU A 99 -5.532 -12.834 5.416 1.00 20.41 H new ATOM 0 HA GLU A 99 -4.275 -13.744 7.644 1.00 23.53 H new ATOM 0 HB2 GLU A 99 -3.899 -13.900 4.916 1.00 42.21 H new ATOM 0 HB3 GLU A 99 -2.453 -13.044 5.412 1.00 42.21 H new ATOM 0 HG2 GLU A 99 -1.695 -15.194 5.627 1.00 32.24 H new ATOM 0 HG3 GLU A 99 -2.324 -14.959 7.246 1.00 32.24 H new ATOM 1592 N ALA A 100 -3.199 -10.740 6.866 1.00 43.33 N ATOM 1593 CA ALA A 100 -2.437 -9.598 7.360 1.00 72.34 C ATOM 1594 C ALA A 100 -2.894 -9.198 8.759 1.00 65.13 C ATOM 1595 O ALA A 100 -2.074 -8.995 9.655 1.00 53.31 O ATOM 1596 CB ALA A 100 -2.567 -8.423 6.403 1.00 42.14 C ATOM 0 H ALA A 100 -3.727 -10.557 6.013 1.00 43.33 H new ATOM 0 HA ALA A 100 -1.388 -9.889 7.418 1.00 72.34 H new ATOM 0 HB1 ALA A 100 -1.993 -7.578 6.784 1.00 42.14 H new ATOM 0 HB2 ALA A 100 -2.185 -8.708 5.423 1.00 42.14 H new ATOM 0 HB3 ALA A 100 -3.616 -8.140 6.315 1.00 42.14 H new ATOM 1602 N LEU A 101 -4.205 -9.086 8.939 1.00 43.24 N ATOM 1603 CA LEU A 101 -4.771 -8.708 10.229 1.00 65.32 C ATOM 1604 C LEU A 101 -4.348 -9.690 11.316 1.00 35.21 C ATOM 1605 O LEU A 101 -3.696 -9.312 12.290 1.00 52.45 O ATOM 1606 CB LEU A 101 -6.297 -8.652 10.142 1.00 10.12 C ATOM 1607 CG LEU A 101 -6.873 -7.892 8.946 1.00 35.43 C ATOM 1608 CD1 LEU A 101 -8.392 -7.962 8.951 1.00 33.43 C ATOM 1609 CD2 LEU A 101 -6.404 -6.445 8.958 1.00 41.30 C ATOM 0 H LEU A 101 -4.896 -9.252 8.208 1.00 43.24 H new ATOM 0 HA LEU A 101 -4.392 -7.720 10.489 1.00 65.32 H new ATOM 0 HB2 LEU A 101 -6.677 -9.673 10.116 1.00 10.12 H new ATOM 0 HB3 LEU A 101 -6.677 -8.194 11.055 1.00 10.12 H new ATOM 0 HG LEU A 101 -6.511 -8.363 8.032 1.00 35.43 H new ATOM 0 HD11 LEU A 101 -8.784 -7.416 8.093 1.00 33.43 H new ATOM 0 HD12 LEU A 101 -8.708 -9.003 8.894 1.00 33.43 H new ATOM 0 HD13 LEU A 101 -8.774 -7.517 9.870 1.00 33.43 H new ATOM 0 HD21 LEU A 101 -6.823 -5.919 8.100 1.00 41.30 H new ATOM 0 HD22 LEU A 101 -6.736 -5.962 9.877 1.00 41.30 H new ATOM 0 HD23 LEU A 101 -5.316 -6.415 8.905 1.00 41.30 H new ATOM 1621 N ASP A 102 -4.722 -10.954 11.144 1.00 53.03 N ATOM 1622 CA ASP A 102 -4.380 -11.991 12.110 1.00 50.13 C ATOM 1623 C ASP A 102 -2.866 -12.122 12.252 1.00 34.15 C ATOM 1624 O ASP A 102 -2.374 -12.786 13.165 1.00 63.40 O ATOM 1625 CB ASP A 102 -4.982 -13.332 11.684 1.00 11.50 C ATOM 1626 CG ASP A 102 -5.682 -14.041 12.828 1.00 64.02 C ATOM 1627 OD1 ASP A 102 -5.125 -14.055 13.945 1.00 54.11 O ATOM 1628 OD2 ASP A 102 -6.785 -14.582 12.604 1.00 45.32 O ATOM 0 H ASP A 102 -5.262 -11.284 10.344 1.00 53.03 H new ATOM 0 HA ASP A 102 -4.795 -11.705 13.077 1.00 50.13 H new ATOM 0 HB2 ASP A 102 -5.692 -13.167 10.873 1.00 11.50 H new ATOM 0 HB3 ASP A 102 -4.193 -13.973 11.291 1.00 11.50 H new ATOM 1633 N LYS A 103 -2.135 -11.484 11.345 1.00 32.44 N ATOM 1634 CA LYS A 103 -0.678 -11.527 11.370 1.00 24.34 C ATOM 1635 C LYS A 103 -0.114 -10.416 12.249 1.00 55.40 C ATOM 1636 O LYS A 103 0.674 -10.671 13.159 1.00 4.33 O ATOM 1637 CB LYS A 103 -0.120 -11.403 9.950 1.00 4.44 C ATOM 1638 CG LYS A 103 0.169 -12.739 9.290 1.00 4.24 C ATOM 1639 CD LYS A 103 1.273 -13.492 10.014 1.00 15.25 C ATOM 1640 CE LYS A 103 0.843 -14.907 10.367 1.00 33.43 C ATOM 1641 NZ LYS A 103 2.007 -15.829 10.482 1.00 22.30 N ATOM 0 H LYS A 103 -2.528 -10.931 10.583 1.00 32.44 H new ATOM 0 HA LYS A 103 -0.375 -12.486 11.791 1.00 24.34 H new ATOM 0 HB2 LYS A 103 -0.832 -10.851 9.336 1.00 4.44 H new ATOM 0 HB3 LYS A 103 0.798 -10.816 9.980 1.00 4.44 H new ATOM 0 HG2 LYS A 103 -0.738 -13.344 9.278 1.00 4.24 H new ATOM 0 HG3 LYS A 103 0.458 -12.578 8.251 1.00 4.24 H new ATOM 0 HD2 LYS A 103 2.163 -13.527 9.386 1.00 15.25 H new ATOM 0 HD3 LYS A 103 1.545 -12.956 10.923 1.00 15.25 H new ATOM 0 HE2 LYS A 103 0.295 -14.895 11.309 1.00 33.43 H new ATOM 0 HE3 LYS A 103 0.159 -15.279 9.604 1.00 33.43 H new ATOM 0 HZ1 LYS A 103 1.671 -16.783 10.724 1.00 22.30 H new ATOM 0 HZ2 LYS A 103 2.516 -15.860 9.576 1.00 22.30 H new ATOM 0 HZ3 LYS A 103 2.647 -15.488 11.227 1.00 22.30 H new