USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 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 29 TYR OH : rot 151:sc= 0.0343 USER MOD Set 1.2: A 97 THR OG1 : rot 53:sc= 0.00914 USER MOD Set 2.1: A 27 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0172) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-11!) USER MOD Single : A 6 SER OG : rot 25:sc= 0.503 USER MOD Single : A 9 SER OG : rot 180:sc= -0.895 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+ 158:sc= -0.0637 (180deg=-0.376) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -121:sc= -0.812 (180deg=-4.35!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -70:sc= 0.821 USER MOD Single : A 47 ASN : amide:sc= 0.0428 K(o=0.043,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 54 SER OG : rot 180:sc= -0.611 USER MOD Single : A 57 CYS SG : rot 180:sc= -3.01! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0351 K(o=-0.035,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 67 SER OG : rot 83:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.099) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.288 USER MOD Single : A 80 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.18) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 120:sc= 0 USER MOD Single : A 87 CYS SG : rot 97:sc= 0.0184 USER MOD Single : A 89 HIS : no HE2:sc= -0.991! C(o=-0.99!,f=-5.2!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 95 LYS NZ :NH3+ -158:sc= 0.132 (180deg=-0.447) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 1.417 7.977 2.268 1.00 74.12 N ATOM 53 CA SER A 6 0.420 8.971 2.652 1.00 54.25 C ATOM 54 C SER A 6 -0.128 9.693 1.424 1.00 54.11 C ATOM 55 O SER A 6 0.504 9.715 0.369 1.00 24.10 O ATOM 56 CB SER A 6 1.027 9.984 3.624 1.00 65.41 C ATOM 57 OG SER A 6 1.998 9.373 4.456 1.00 3.34 O ATOM 0 HA SER A 6 -0.403 8.453 3.145 1.00 54.25 H new ATOM 0 HB2 SER A 6 1.484 10.800 3.065 1.00 65.41 H new ATOM 0 HB3 SER A 6 0.239 10.420 4.238 1.00 65.41 H new ATOM 0 HG SER A 6 2.363 8.582 4.007 1.00 3.34 H new ATOM 63 N VAL A 7 -1.311 10.282 1.571 1.00 1.12 N ATOM 64 CA VAL A 7 -1.945 11.006 0.477 1.00 55.32 C ATOM 65 C VAL A 7 -1.140 12.244 0.098 1.00 53.42 C ATOM 66 O VAL A 7 -0.863 12.482 -1.079 1.00 72.45 O ATOM 67 CB VAL A 7 -3.380 11.432 0.842 1.00 61.11 C ATOM 68 CG1 VAL A 7 -4.067 12.074 -0.354 1.00 0.05 C ATOM 69 CG2 VAL A 7 -4.177 10.238 1.347 1.00 3.20 C ATOM 0 H VAL A 7 -1.849 10.271 2.437 1.00 1.12 H new ATOM 0 HA VAL A 7 -1.982 10.325 -0.373 1.00 55.32 H new ATOM 0 HB VAL A 7 -3.329 12.171 1.641 1.00 61.11 H new ATOM 0 HG11 VAL A 7 -5.079 12.368 -0.077 1.00 0.05 H new ATOM 0 HG12 VAL A 7 -3.506 12.955 -0.667 1.00 0.05 H new ATOM 0 HG13 VAL A 7 -4.109 11.360 -1.176 1.00 0.05 H new ATOM 0 HG21 VAL A 7 -5.188 10.556 1.600 1.00 3.20 H new ATOM 0 HG22 VAL A 7 -4.221 9.475 0.570 1.00 3.20 H new ATOM 0 HG23 VAL A 7 -3.694 9.826 2.233 1.00 3.20 H new ATOM 79 N LEU A 8 -0.769 13.031 1.100 1.00 3.45 N ATOM 80 CA LEU A 8 0.006 14.247 0.874 1.00 62.14 C ATOM 81 C LEU A 8 1.434 14.086 1.385 1.00 53.54 C ATOM 82 O LEU A 8 1.655 13.630 2.506 1.00 30.22 O ATOM 83 CB LEU A 8 -0.664 15.438 1.562 1.00 42.15 C ATOM 84 CG LEU A 8 -2.057 15.810 1.054 1.00 54.04 C ATOM 85 CD1 LEU A 8 -2.538 17.095 1.709 1.00 11.43 C ATOM 86 CD2 LEU A 8 -2.052 15.952 -0.462 1.00 20.05 C ATOM 0 H LEU A 8 -0.992 12.850 2.079 1.00 3.45 H new ATOM 0 HA LEU A 8 0.043 14.430 -0.200 1.00 62.14 H new ATOM 0 HB2 LEU A 8 -0.733 15.224 2.629 1.00 42.15 H new ATOM 0 HB3 LEU A 8 -0.015 16.307 1.453 1.00 42.15 H new ATOM 0 HG LEU A 8 -2.746 15.009 1.322 1.00 54.04 H new ATOM 0 HD11 LEU A 8 -3.531 17.344 1.335 1.00 11.43 H new ATOM 0 HD12 LEU A 8 -2.581 16.959 2.790 1.00 11.43 H new ATOM 0 HD13 LEU A 8 -1.848 17.905 1.472 1.00 11.43 H new ATOM 0 HD21 LEU A 8 -3.052 16.217 -0.806 1.00 20.05 H new ATOM 0 HD22 LEU A 8 -1.350 16.733 -0.752 1.00 20.05 H new ATOM 0 HD23 LEU A 8 -1.751 15.007 -0.915 1.00 20.05 H new ATOM 98 N SER A 9 2.401 14.468 0.556 1.00 72.25 N ATOM 99 CA SER A 9 3.808 14.364 0.923 1.00 50.51 C ATOM 100 C SER A 9 4.183 15.438 1.940 1.00 2.45 C ATOM 101 O SER A 9 3.319 16.120 2.488 1.00 34.01 O ATOM 102 CB SER A 9 4.692 14.491 -0.319 1.00 12.00 C ATOM 103 OG SER A 9 5.118 15.829 -0.507 1.00 61.44 O ATOM 0 H SER A 9 2.235 14.852 -0.374 1.00 72.25 H new ATOM 0 HA SER A 9 3.969 13.386 1.376 1.00 50.51 H new ATOM 0 HB2 SER A 9 5.561 13.840 -0.219 1.00 12.00 H new ATOM 0 HB3 SER A 9 4.141 14.155 -1.197 1.00 12.00 H new ATOM 0 HG SER A 9 5.683 15.883 -1.306 1.00 61.44 H new ATOM 109 N GLY A 10 5.483 15.582 2.187 1.00 15.03 N ATOM 110 CA GLY A 10 5.951 16.574 3.137 1.00 43.21 C ATOM 111 C GLY A 10 5.550 17.984 2.749 1.00 24.31 C ATOM 112 O GLY A 10 4.798 18.642 3.467 1.00 62.13 O ATOM 0 H GLY A 10 6.219 15.030 1.746 1.00 15.03 H new ATOM 0 HA2 GLY A 10 5.550 16.344 4.124 1.00 43.21 H new ATOM 0 HA3 GLY A 10 7.037 16.516 3.212 1.00 43.21 H new ATOM 116 N GLY A 11 6.055 18.449 1.611 1.00 31.11 N ATOM 117 CA GLY A 11 5.736 19.788 1.149 1.00 31.43 C ATOM 118 C GLY A 11 4.242 20.013 1.014 1.00 24.33 C ATOM 119 O GLY A 11 3.741 21.093 1.324 1.00 22.20 O ATOM 0 H GLY A 11 6.680 17.923 1.000 1.00 31.11 H new ATOM 0 HA2 GLY A 11 6.149 20.518 1.846 1.00 31.43 H new ATOM 0 HA3 GLY A 11 6.215 19.961 0.185 1.00 31.43 H new ATOM 123 N GLU A 12 3.531 18.990 0.548 1.00 42.52 N ATOM 124 CA GLU A 12 2.087 19.084 0.370 1.00 3.00 C ATOM 125 C GLU A 12 1.376 19.164 1.718 1.00 25.41 C ATOM 126 O GLU A 12 0.388 19.882 1.871 1.00 62.31 O ATOM 127 CB GLU A 12 1.569 17.881 -0.422 1.00 11.44 C ATOM 128 CG GLU A 12 2.438 17.518 -1.613 1.00 62.43 C ATOM 129 CD GLU A 12 1.762 16.538 -2.551 1.00 75.11 C ATOM 130 OE1 GLU A 12 1.506 15.392 -2.127 1.00 23.45 O ATOM 131 OE2 GLU A 12 1.488 16.916 -3.709 1.00 72.42 O ATOM 0 H GLU A 12 3.931 18.089 0.288 1.00 42.52 H new ATOM 0 HA GLU A 12 1.874 19.996 -0.188 1.00 3.00 H new ATOM 0 HB2 GLU A 12 1.501 17.020 0.243 1.00 11.44 H new ATOM 0 HB3 GLU A 12 0.559 18.094 -0.771 1.00 11.44 H new ATOM 0 HG2 GLU A 12 2.692 18.425 -2.162 1.00 62.43 H new ATOM 0 HG3 GLU A 12 3.374 17.088 -1.257 1.00 62.43 H new ATOM 138 N LEU A 13 1.887 18.420 2.694 1.00 14.51 N ATOM 139 CA LEU A 13 1.302 18.405 4.030 1.00 62.42 C ATOM 140 C LEU A 13 1.247 19.812 4.616 1.00 3.13 C ATOM 141 O LEU A 13 0.190 20.276 5.044 1.00 1.52 O ATOM 142 CB LEU A 13 2.109 17.488 4.951 1.00 20.41 C ATOM 143 CG LEU A 13 1.369 16.943 6.173 1.00 34.02 C ATOM 144 CD1 LEU A 13 0.708 18.076 6.944 1.00 21.32 C ATOM 145 CD2 LEU A 13 0.335 15.908 5.753 1.00 2.31 C ATOM 0 H LEU A 13 2.705 17.820 2.585 1.00 14.51 H new ATOM 0 HA LEU A 13 0.284 18.025 3.950 1.00 62.42 H new ATOM 0 HB2 LEU A 13 2.470 16.644 4.364 1.00 20.41 H new ATOM 0 HB3 LEU A 13 2.986 18.035 5.297 1.00 20.41 H new ATOM 0 HG LEU A 13 2.094 16.458 6.827 1.00 34.02 H new ATOM 0 HD11 LEU A 13 0.186 17.670 7.810 1.00 21.32 H new ATOM 0 HD12 LEU A 13 1.469 18.782 7.277 1.00 21.32 H new ATOM 0 HD13 LEU A 13 -0.005 18.588 6.298 1.00 21.32 H new ATOM 0 HD21 LEU A 13 -0.182 15.531 6.636 1.00 2.31 H new ATOM 0 HD22 LEU A 13 -0.387 16.368 5.078 1.00 2.31 H new ATOM 0 HD23 LEU A 13 0.832 15.083 5.244 1.00 2.31 H new ATOM 157 N ASP A 14 2.392 20.486 4.633 1.00 63.32 N ATOM 158 CA ASP A 14 2.474 21.842 5.163 1.00 31.34 C ATOM 159 C ASP A 14 1.443 22.749 4.498 1.00 12.02 C ATOM 160 O ASP A 14 0.566 23.301 5.162 1.00 41.11 O ATOM 161 CB ASP A 14 3.879 22.409 4.957 1.00 24.53 C ATOM 162 CG ASP A 14 4.129 23.652 5.788 1.00 53.54 C ATOM 163 OD1 ASP A 14 3.145 24.323 6.162 1.00 13.23 O ATOM 164 OD2 ASP A 14 5.309 23.954 6.063 1.00 31.14 O ATOM 0 H ASP A 14 3.276 20.115 4.286 1.00 63.32 H new ATOM 0 HA ASP A 14 2.260 21.802 6.231 1.00 31.34 H new ATOM 0 HB2 ASP A 14 4.616 21.649 5.215 1.00 24.53 H new ATOM 0 HB3 ASP A 14 4.021 22.646 3.903 1.00 24.53 H new ATOM 169 N LYS A 15 1.556 22.899 3.183 1.00 31.23 N ATOM 170 CA LYS A 15 0.635 23.739 2.427 1.00 64.44 C ATOM 171 C LYS A 15 -0.813 23.358 2.719 1.00 41.33 C ATOM 172 O LYS A 15 -1.666 24.225 2.908 1.00 11.02 O ATOM 173 CB LYS A 15 0.914 23.615 0.927 1.00 73.12 C ATOM 174 CG LYS A 15 2.202 24.290 0.489 1.00 11.51 C ATOM 175 CD LYS A 15 2.676 23.770 -0.857 1.00 32.42 C ATOM 176 CE LYS A 15 3.991 24.413 -1.271 1.00 74.35 C ATOM 177 NZ LYS A 15 4.664 23.647 -2.357 1.00 72.34 N ATOM 0 H LYS A 15 2.277 22.450 2.618 1.00 31.23 H new ATOM 0 HA LYS A 15 0.789 24.773 2.735 1.00 64.44 H new ATOM 0 HB2 LYS A 15 0.959 22.559 0.661 1.00 73.12 H new ATOM 0 HB3 LYS A 15 0.081 24.048 0.374 1.00 73.12 H new ATOM 0 HG2 LYS A 15 2.047 25.367 0.429 1.00 11.51 H new ATOM 0 HG3 LYS A 15 2.975 24.120 1.238 1.00 11.51 H new ATOM 0 HD2 LYS A 15 2.798 22.688 -0.808 1.00 32.42 H new ATOM 0 HD3 LYS A 15 1.917 23.971 -1.614 1.00 32.42 H new ATOM 0 HE2 LYS A 15 3.807 25.434 -1.607 1.00 74.35 H new ATOM 0 HE3 LYS A 15 4.653 24.476 -0.407 1.00 74.35 H new ATOM 0 HZ1 LYS A 15 5.556 24.117 -2.611 1.00 72.34 H new ATOM 0 HZ2 LYS A 15 4.863 22.681 -2.028 1.00 72.34 H new ATOM 0 HZ3 LYS A 15 4.043 23.608 -3.191 1.00 72.34 H new ATOM 191 N TRP A 16 -1.083 22.058 2.754 1.00 24.21 N ATOM 192 CA TRP A 16 -2.427 21.563 3.025 1.00 34.10 C ATOM 193 C TRP A 16 -2.992 22.189 4.296 1.00 70.21 C ATOM 194 O TRP A 16 -4.101 22.720 4.297 1.00 73.25 O ATOM 195 CB TRP A 16 -2.417 20.039 3.153 1.00 3.41 C ATOM 196 CG TRP A 16 -3.734 19.470 3.585 1.00 4.31 C ATOM 197 CD1 TRP A 16 -4.065 19.029 4.835 1.00 15.42 C ATOM 198 CD2 TRP A 16 -4.894 19.278 2.769 1.00 35.24 C ATOM 199 NE1 TRP A 16 -5.362 18.576 4.845 1.00 61.00 N ATOM 200 CE2 TRP A 16 -5.892 18.718 3.590 1.00 73.01 C ATOM 201 CE3 TRP A 16 -5.187 19.527 1.426 1.00 31.00 C ATOM 202 CZ2 TRP A 16 -7.161 18.402 3.108 1.00 3.33 C ATOM 203 CZ3 TRP A 16 -6.446 19.213 0.950 1.00 75.32 C ATOM 204 CH2 TRP A 16 -7.420 18.656 1.789 1.00 52.32 C ATOM 0 H TRP A 16 -0.388 21.328 2.598 1.00 24.21 H new ATOM 0 HA TRP A 16 -3.066 21.845 2.188 1.00 34.10 H new ATOM 0 HB2 TRP A 16 -2.138 19.603 2.194 1.00 3.41 H new ATOM 0 HB3 TRP A 16 -1.650 19.747 3.871 1.00 3.41 H new ATOM 0 HD1 TRP A 16 -3.404 19.036 5.689 1.00 15.42 H new ATOM 0 HE1 TRP A 16 -5.851 18.196 5.655 1.00 61.00 H new ATOM 0 HE3 TRP A 16 -4.443 19.957 0.772 1.00 31.00 H new ATOM 0 HZ2 TRP A 16 -7.913 17.972 3.753 1.00 3.33 H new ATOM 0 HZ3 TRP A 16 -6.683 19.400 -0.087 1.00 75.32 H new ATOM 0 HH2 TRP A 16 -8.395 18.423 1.386 1.00 52.32 H new ATOM 215 N GLU A 17 -2.220 22.121 5.376 1.00 13.33 N ATOM 216 CA GLU A 17 -2.646 22.681 6.654 1.00 32.24 C ATOM 217 C GLU A 17 -2.857 24.189 6.545 1.00 63.44 C ATOM 218 O GLU A 17 -3.545 24.792 7.368 1.00 2.03 O ATOM 219 CB GLU A 17 -1.610 22.377 7.739 1.00 55.31 C ATOM 220 CG GLU A 17 -1.774 21.005 8.370 1.00 51.34 C ATOM 221 CD GLU A 17 -1.194 20.933 9.769 1.00 34.32 C ATOM 222 OE1 GLU A 17 -0.029 21.342 9.951 1.00 75.22 O ATOM 223 OE2 GLU A 17 -1.908 20.468 10.683 1.00 61.30 O ATOM 0 H GLU A 17 -1.298 21.685 5.392 1.00 13.33 H new ATOM 0 HA GLU A 17 -3.594 22.218 6.926 1.00 32.24 H new ATOM 0 HB2 GLU A 17 -0.612 22.452 7.308 1.00 55.31 H new ATOM 0 HB3 GLU A 17 -1.679 23.136 8.518 1.00 55.31 H new ATOM 0 HG2 GLU A 17 -2.833 20.750 8.406 1.00 51.34 H new ATOM 0 HG3 GLU A 17 -1.288 20.259 7.741 1.00 51.34 H new ATOM 230 N LYS A 18 -2.260 24.790 5.521 1.00 50.44 N ATOM 231 CA LYS A 18 -2.381 26.226 5.301 1.00 55.21 C ATOM 232 C LYS A 18 -3.790 26.589 4.839 1.00 41.32 C ATOM 233 O LYS A 18 -4.518 27.298 5.533 1.00 3.15 O ATOM 234 CB LYS A 18 -1.357 26.693 4.264 1.00 31.04 C ATOM 235 CG LYS A 18 -0.834 28.097 4.515 1.00 54.21 C ATOM 236 CD LYS A 18 0.628 28.082 4.927 1.00 1.51 C ATOM 237 CE LYS A 18 1.296 29.422 4.659 1.00 32.25 C ATOM 238 NZ LYS A 18 1.907 29.994 5.891 1.00 0.05 N ATOM 0 H LYS A 18 -1.687 24.304 4.830 1.00 50.44 H new ATOM 0 HA LYS A 18 -2.186 26.730 6.247 1.00 55.21 H new ATOM 0 HB2 LYS A 18 -0.518 25.998 4.256 1.00 31.04 H new ATOM 0 HB3 LYS A 18 -1.812 26.655 3.274 1.00 31.04 H new ATOM 0 HG2 LYS A 18 -0.953 28.697 3.613 1.00 54.21 H new ATOM 0 HG3 LYS A 18 -1.428 28.573 5.295 1.00 54.21 H new ATOM 0 HD2 LYS A 18 0.706 27.841 5.987 1.00 1.51 H new ATOM 0 HD3 LYS A 18 1.153 27.297 4.382 1.00 1.51 H new ATOM 0 HE2 LYS A 18 2.065 29.298 3.896 1.00 32.25 H new ATOM 0 HE3 LYS A 18 0.561 30.121 4.260 1.00 32.25 H new ATOM 0 HZ1 LYS A 18 2.352 30.907 5.666 1.00 0.05 H new ATOM 0 HZ2 LYS A 18 1.170 30.136 6.610 1.00 0.05 H new ATOM 0 HZ3 LYS A 18 2.627 29.339 6.258 1.00 0.05 H new ATOM 252 N ILE A 19 -4.167 26.097 3.664 1.00 24.21 N ATOM 253 CA ILE A 19 -5.488 26.366 3.111 1.00 0.23 C ATOM 254 C ILE A 19 -6.573 26.189 4.168 1.00 24.42 C ATOM 255 O ILE A 19 -6.479 25.311 5.027 1.00 51.32 O ATOM 256 CB ILE A 19 -5.797 25.448 1.915 1.00 75.31 C ATOM 257 CG1 ILE A 19 -4.749 25.634 0.817 1.00 43.05 C ATOM 258 CG2 ILE A 19 -7.192 25.729 1.376 1.00 33.24 C ATOM 259 CD1 ILE A 19 -4.594 24.428 -0.083 1.00 24.20 C ATOM 0 H ILE A 19 -3.576 25.509 3.076 1.00 24.21 H new ATOM 0 HA ILE A 19 -5.481 27.401 2.770 1.00 0.23 H new ATOM 0 HB ILE A 19 -5.762 24.412 2.254 1.00 75.31 H new ATOM 0 HG12 ILE A 19 -5.021 26.498 0.210 1.00 43.05 H new ATOM 0 HG13 ILE A 19 -3.787 25.858 1.278 1.00 43.05 H new ATOM 0 HG21 ILE A 19 -7.395 25.071 0.531 1.00 33.24 H new ATOM 0 HG22 ILE A 19 -7.928 25.550 2.160 1.00 33.24 H new ATOM 0 HG23 ILE A 19 -7.254 26.768 1.051 1.00 33.24 H new ATOM 0 HD11 ILE A 19 -3.834 24.632 -0.837 1.00 24.20 H new ATOM 0 HD12 ILE A 19 -4.292 23.566 0.512 1.00 24.20 H new ATOM 0 HD13 ILE A 19 -5.544 24.215 -0.573 1.00 24.20 H new ATOM 271 N ARG A 20 -7.603 27.026 4.098 1.00 22.41 N ATOM 272 CA ARG A 20 -8.706 26.960 5.049 1.00 71.44 C ATOM 273 C ARG A 20 -9.997 26.535 4.354 1.00 21.12 C ATOM 274 O ARG A 20 -10.132 26.665 3.137 1.00 21.32 O ATOM 275 CB ARG A 20 -8.902 28.316 5.728 1.00 14.03 C ATOM 276 CG ARG A 20 -8.188 28.436 7.065 1.00 50.40 C ATOM 277 CD ARG A 20 -7.760 29.870 7.340 1.00 2.01 C ATOM 278 NE ARG A 20 -6.316 29.983 7.525 1.00 60.21 N ATOM 279 CZ ARG A 20 -5.692 31.135 7.746 1.00 61.20 C ATOM 280 NH1 ARG A 20 -6.382 32.265 7.811 1.00 61.33 N ATOM 281 NH2 ARG A 20 -4.375 31.157 7.904 1.00 23.15 N ATOM 0 H ARG A 20 -7.697 27.757 3.393 1.00 22.41 H new ATOM 0 HA ARG A 20 -8.458 26.215 5.805 1.00 71.44 H new ATOM 0 HB2 ARG A 20 -8.544 29.101 5.062 1.00 14.03 H new ATOM 0 HB3 ARG A 20 -9.968 28.487 5.878 1.00 14.03 H new ATOM 0 HG2 ARG A 20 -8.846 28.092 7.863 1.00 50.40 H new ATOM 0 HG3 ARG A 20 -7.313 27.786 7.071 1.00 50.40 H new ATOM 0 HD2 ARG A 20 -8.070 30.506 6.511 1.00 2.01 H new ATOM 0 HD3 ARG A 20 -8.270 30.236 8.231 1.00 2.01 H new ATOM 0 HE ARG A 20 -5.756 29.132 7.482 1.00 60.21 H new ATOM 0 HH11 ARG A 20 -7.395 32.252 7.691 1.00 61.33 H new ATOM 0 HH12 ARG A 20 -5.900 33.148 7.981 1.00 61.33 H new ATOM 0 HH21 ARG A 20 -3.841 30.289 7.856 1.00 23.15 H new ATOM 0 HH22 ARG A 20 -3.896 32.042 8.074 1.00 23.15 H new ATOM 295 N LEU A 21 -10.943 26.027 5.137 1.00 74.21 N ATOM 296 CA LEU A 21 -12.224 25.582 4.598 1.00 71.21 C ATOM 297 C LEU A 21 -13.025 26.761 4.056 1.00 14.12 C ATOM 298 O LEU A 21 -13.677 26.657 3.017 1.00 72.30 O ATOM 299 CB LEU A 21 -13.029 24.856 5.676 1.00 13.22 C ATOM 300 CG LEU A 21 -12.403 23.577 6.234 1.00 60.20 C ATOM 301 CD1 LEU A 21 -13.199 23.070 7.428 1.00 64.14 C ATOM 302 CD2 LEU A 21 -12.321 22.509 5.154 1.00 42.13 C ATOM 0 H LEU A 21 -10.847 25.913 6.146 1.00 74.21 H new ATOM 0 HA LEU A 21 -12.025 24.893 3.777 1.00 71.21 H new ATOM 0 HB2 LEU A 21 -13.196 25.546 6.503 1.00 13.22 H new ATOM 0 HB3 LEU A 21 -14.008 24.608 5.265 1.00 13.22 H new ATOM 0 HG LEU A 21 -11.391 23.806 6.568 1.00 60.20 H new ATOM 0 HD11 LEU A 21 -12.739 22.159 7.812 1.00 64.14 H new ATOM 0 HD12 LEU A 21 -13.207 23.830 8.209 1.00 64.14 H new ATOM 0 HD13 LEU A 21 -14.222 22.857 7.119 1.00 64.14 H new ATOM 0 HD21 LEU A 21 -11.873 21.606 5.569 1.00 42.13 H new ATOM 0 HD22 LEU A 21 -13.323 22.283 4.789 1.00 42.13 H new ATOM 0 HD23 LEU A 21 -11.708 22.872 4.329 1.00 42.13 H new ATOM 314 N ARG A 22 -12.971 27.884 4.766 1.00 70.11 N ATOM 315 CA ARG A 22 -13.691 29.083 4.356 1.00 63.13 C ATOM 316 C ARG A 22 -12.727 30.242 4.118 1.00 23.21 C ATOM 317 O ARG A 22 -11.622 30.283 4.661 1.00 41.15 O ATOM 318 CB ARG A 22 -14.723 29.472 5.416 1.00 25.11 C ATOM 319 CG ARG A 22 -16.150 29.117 5.036 1.00 54.13 C ATOM 320 CD ARG A 22 -17.112 30.250 5.364 1.00 42.14 C ATOM 321 NE ARG A 22 -18.347 29.761 5.969 1.00 74.44 N ATOM 322 CZ ARG A 22 -19.457 30.485 6.063 1.00 55.40 C ATOM 323 NH1 ARG A 22 -19.485 31.725 5.593 1.00 21.10 N ATOM 324 NH2 ARG A 22 -20.541 29.969 6.627 1.00 54.41 N ATOM 0 H ARG A 22 -12.436 27.988 5.628 1.00 70.11 H new ATOM 0 HA ARG A 22 -14.206 28.865 3.421 1.00 63.13 H new ATOM 0 HB2 ARG A 22 -14.472 28.977 6.354 1.00 25.11 H new ATOM 0 HB3 ARG A 22 -14.660 30.545 5.595 1.00 25.11 H new ATOM 0 HG2 ARG A 22 -16.199 28.893 3.970 1.00 54.13 H new ATOM 0 HG3 ARG A 22 -16.455 28.214 5.565 1.00 54.13 H new ATOM 0 HD2 ARG A 22 -16.628 30.951 6.044 1.00 42.14 H new ATOM 0 HD3 ARG A 22 -17.348 30.801 4.453 1.00 42.14 H new ATOM 0 HE ARG A 22 -18.359 28.811 6.340 1.00 74.44 H new ATOM 0 HH11 ARG A 22 -18.653 32.125 5.158 1.00 21.10 H new ATOM 0 HH12 ARG A 22 -20.338 32.279 5.666 1.00 21.10 H new ATOM 0 HH21 ARG A 22 -20.523 29.016 6.989 1.00 54.41 H new ATOM 0 HH22 ARG A 22 -21.393 30.526 6.699 1.00 54.41 H new ATOM 338 N PRO A 23 -13.154 31.206 3.289 1.00 4.42 N ATOM 339 CA PRO A 23 -12.343 32.383 2.961 1.00 0.40 C ATOM 340 C PRO A 23 -12.194 33.332 4.146 1.00 21.43 C ATOM 341 O PRO A 23 -11.146 33.950 4.330 1.00 51.43 O ATOM 342 CB PRO A 23 -13.132 33.054 1.835 1.00 34.04 C ATOM 343 CG PRO A 23 -14.540 32.613 2.044 1.00 52.24 C ATOM 344 CD PRO A 23 -14.459 31.222 2.608 1.00 24.43 C ATOM 0 HA PRO A 23 -11.324 32.112 2.684 1.00 0.40 H new ATOM 0 HB2 PRO A 23 -13.046 34.139 1.884 1.00 34.04 H new ATOM 0 HB3 PRO A 23 -12.763 32.748 0.856 1.00 34.04 H new ATOM 0 HG2 PRO A 23 -15.061 33.282 2.729 1.00 52.24 H new ATOM 0 HG3 PRO A 23 -15.095 32.622 1.106 1.00 52.24 H new ATOM 0 HD2 PRO A 23 -15.276 31.021 3.301 1.00 24.43 H new ATOM 0 HD3 PRO A 23 -14.513 30.467 1.824 1.00 24.43 H new ATOM 352 N GLY A 24 -13.248 33.441 4.948 1.00 73.13 N ATOM 353 CA GLY A 24 -13.213 34.316 6.105 1.00 1.32 C ATOM 354 C GLY A 24 -13.347 33.557 7.410 1.00 4.04 C ATOM 355 O GLY A 24 -13.933 34.057 8.370 1.00 65.02 O ATOM 0 H GLY A 24 -14.126 32.939 4.817 1.00 73.13 H new ATOM 0 HA2 GLY A 24 -12.276 34.873 6.107 1.00 1.32 H new ATOM 0 HA3 GLY A 24 -14.018 35.046 6.029 1.00 1.32 H new ATOM 359 N GLY A 25 -12.802 32.345 7.447 1.00 64.42 N ATOM 360 CA GLY A 25 -12.876 31.534 8.648 1.00 43.41 C ATOM 361 C GLY A 25 -11.528 31.376 9.324 1.00 24.40 C ATOM 362 O GLY A 25 -10.545 31.999 8.922 1.00 53.40 O ATOM 0 H GLY A 25 -12.310 31.910 6.666 1.00 64.42 H new ATOM 0 HA2 GLY A 25 -13.579 31.988 9.347 1.00 43.41 H new ATOM 0 HA3 GLY A 25 -13.270 30.550 8.395 1.00 43.41 H new ATOM 366 N LYS A 26 -11.480 30.540 10.355 1.00 5.13 N ATOM 367 CA LYS A 26 -10.243 30.301 11.090 1.00 60.41 C ATOM 368 C LYS A 26 -9.913 28.811 11.128 1.00 15.34 C ATOM 369 O LYS A 26 -8.883 28.407 11.668 1.00 51.10 O ATOM 370 CB LYS A 26 -10.359 30.845 12.516 1.00 40.14 C ATOM 371 CG LYS A 26 -10.443 32.360 12.583 1.00 71.43 C ATOM 372 CD LYS A 26 -11.277 32.820 13.767 1.00 75.01 C ATOM 373 CE LYS A 26 -10.495 32.729 15.068 1.00 4.13 C ATOM 374 NZ LYS A 26 -9.356 33.687 15.098 1.00 44.14 N ATOM 0 H LYS A 26 -12.284 30.016 10.701 1.00 5.13 H new ATOM 0 HA LYS A 26 -9.436 30.822 10.574 1.00 60.41 H new ATOM 0 HB2 LYS A 26 -11.245 30.419 12.988 1.00 40.14 H new ATOM 0 HB3 LYS A 26 -9.498 30.511 13.095 1.00 40.14 H new ATOM 0 HG2 LYS A 26 -9.439 32.778 12.659 1.00 71.43 H new ATOM 0 HG3 LYS A 26 -10.878 32.742 11.660 1.00 71.43 H new ATOM 0 HD2 LYS A 26 -11.601 33.848 13.607 1.00 75.01 H new ATOM 0 HD3 LYS A 26 -12.177 32.209 13.839 1.00 75.01 H new ATOM 0 HE2 LYS A 26 -11.161 32.930 15.907 1.00 4.13 H new ATOM 0 HE3 LYS A 26 -10.119 31.714 15.196 1.00 4.13 H new ATOM 0 HZ1 LYS A 26 -9.084 33.872 16.085 1.00 44.14 H new ATOM 0 HZ2 LYS A 26 -8.547 33.281 14.586 1.00 44.14 H new ATOM 0 HZ3 LYS A 26 -9.640 34.579 14.644 1.00 44.14 H new ATOM 388 N LYS A 27 -10.793 28.000 10.552 1.00 51.20 N ATOM 389 CA LYS A 27 -10.594 26.556 10.517 1.00 43.10 C ATOM 390 C LYS A 27 -9.763 26.150 9.305 1.00 75.53 C ATOM 391 O LYS A 27 -10.237 26.205 8.170 1.00 60.21 O ATOM 392 CB LYS A 27 -11.944 25.835 10.488 1.00 32.23 C ATOM 393 CG LYS A 27 -12.001 24.614 11.390 1.00 43.14 C ATOM 394 CD LYS A 27 -12.805 23.491 10.756 1.00 65.20 C ATOM 395 CE LYS A 27 -13.465 22.615 11.810 1.00 21.34 C ATOM 396 NZ LYS A 27 -13.749 21.247 11.296 1.00 55.35 N ATOM 0 H LYS A 27 -11.652 28.318 10.103 1.00 51.20 H new ATOM 0 HA LYS A 27 -10.054 26.267 11.419 1.00 43.10 H new ATOM 0 HB2 LYS A 27 -12.726 26.533 10.786 1.00 32.23 H new ATOM 0 HB3 LYS A 27 -12.162 25.531 9.464 1.00 32.23 H new ATOM 0 HG2 LYS A 27 -10.989 24.266 11.598 1.00 43.14 H new ATOM 0 HG3 LYS A 27 -12.447 24.887 12.346 1.00 43.14 H new ATOM 0 HD2 LYS A 27 -13.568 23.913 10.102 1.00 65.20 H new ATOM 0 HD3 LYS A 27 -12.151 22.882 10.132 1.00 65.20 H new ATOM 0 HE2 LYS A 27 -12.817 22.547 12.684 1.00 21.34 H new ATOM 0 HE3 LYS A 27 -14.395 23.080 12.138 1.00 21.34 H new ATOM 0 HZ1 LYS A 27 -14.589 20.863 11.775 1.00 55.35 H new ATOM 0 HZ2 LYS A 27 -13.925 21.290 10.272 1.00 55.35 H new ATOM 0 HZ3 LYS A 27 -12.933 20.630 11.481 1.00 55.35 H new ATOM 410 N GLN A 28 -8.523 25.742 9.552 1.00 61.11 N ATOM 411 CA GLN A 28 -7.627 25.325 8.479 1.00 2.23 C ATOM 412 C GLN A 28 -7.862 23.864 8.109 1.00 12.44 C ATOM 413 O GLN A 28 -8.645 23.168 8.756 1.00 3.14 O ATOM 414 CB GLN A 28 -6.170 25.530 8.896 1.00 63.21 C ATOM 415 CG GLN A 28 -5.937 26.806 9.688 1.00 45.32 C ATOM 416 CD GLN A 28 -4.494 26.967 10.126 1.00 62.42 C ATOM 417 OE1 GLN A 28 -3.804 27.894 9.702 1.00 25.30 O ATOM 418 NE2 GLN A 28 -4.029 26.060 10.978 1.00 54.11 N ATOM 0 H GLN A 28 -8.115 25.691 10.486 1.00 61.11 H new ATOM 0 HA GLN A 28 -7.838 25.940 7.604 1.00 2.23 H new ATOM 0 HB2 GLN A 28 -5.849 24.677 9.494 1.00 63.21 H new ATOM 0 HB3 GLN A 28 -5.544 25.547 8.004 1.00 63.21 H new ATOM 0 HG2 GLN A 28 -6.226 27.664 9.081 1.00 45.32 H new ATOM 0 HG3 GLN A 28 -6.582 26.806 10.567 1.00 45.32 H new ATOM 0 HE21 GLN A 28 -4.636 25.308 11.304 1.00 54.11 H new ATOM 0 HE22 GLN A 28 -3.065 26.116 11.306 1.00 54.11 H new ATOM 427 N TYR A 29 -7.181 23.407 7.065 1.00 5.41 N ATOM 428 CA TYR A 29 -7.318 22.030 6.607 1.00 33.13 C ATOM 429 C TYR A 29 -6.466 21.087 7.452 1.00 64.00 C ATOM 430 O TYR A 29 -5.367 21.440 7.881 1.00 51.23 O ATOM 431 CB TYR A 29 -6.917 21.917 5.135 1.00 23.14 C ATOM 432 CG TYR A 29 -8.092 21.918 4.186 1.00 71.24 C ATOM 433 CD1 TYR A 29 -8.962 20.836 4.124 1.00 32.52 C ATOM 434 CD2 TYR A 29 -8.333 23.000 3.348 1.00 54.23 C ATOM 435 CE1 TYR A 29 -10.037 20.831 3.257 1.00 11.30 C ATOM 436 CE2 TYR A 29 -9.407 23.005 2.479 1.00 53.35 C ATOM 437 CZ TYR A 29 -10.256 21.919 2.437 1.00 72.42 C ATOM 438 OH TYR A 29 -11.327 21.920 1.571 1.00 5.14 O ATOM 0 H TYR A 29 -6.528 23.970 6.520 1.00 5.41 H new ATOM 0 HA TYR A 29 -8.363 21.741 6.715 1.00 33.13 H new ATOM 0 HB2 TYR A 29 -6.256 22.746 4.883 1.00 23.14 H new ATOM 0 HB3 TYR A 29 -6.346 21.000 4.992 1.00 23.14 H new ATOM 0 HD1 TYR A 29 -8.794 19.984 4.766 1.00 32.52 H new ATOM 0 HD2 TYR A 29 -7.669 23.852 3.377 1.00 54.23 H new ATOM 0 HE1 TYR A 29 -10.702 19.981 3.221 1.00 11.30 H new ATOM 0 HE2 TYR A 29 -9.581 23.855 1.836 1.00 53.35 H new ATOM 0 HH TYR A 29 -11.624 22.841 1.420 1.00 5.14 H new ATOM 448 N LYS A 30 -6.982 19.885 7.687 1.00 4.22 N ATOM 449 CA LYS A 30 -6.270 18.889 8.478 1.00 4.04 C ATOM 450 C LYS A 30 -6.439 17.496 7.880 1.00 0.04 C ATOM 451 O LYS A 30 -7.264 17.288 6.989 1.00 3.53 O ATOM 452 CB LYS A 30 -6.774 18.900 9.923 1.00 20.33 C ATOM 453 CG LYS A 30 -8.156 18.292 10.089 1.00 22.05 C ATOM 454 CD LYS A 30 -8.990 19.070 11.094 1.00 23.42 C ATOM 455 CE LYS A 30 -10.474 18.785 10.926 1.00 61.33 C ATOM 456 NZ LYS A 30 -10.986 17.865 11.980 1.00 61.25 N ATOM 0 H LYS A 30 -7.891 19.577 7.341 1.00 4.22 H new ATOM 0 HA LYS A 30 -5.210 19.143 8.467 1.00 4.04 H new ATOM 0 HB2 LYS A 30 -6.068 18.354 10.549 1.00 20.33 H new ATOM 0 HB3 LYS A 30 -6.792 19.928 10.285 1.00 20.33 H new ATOM 0 HG2 LYS A 30 -8.666 18.277 9.126 1.00 22.05 H new ATOM 0 HG3 LYS A 30 -8.062 17.257 10.416 1.00 22.05 H new ATOM 0 HD2 LYS A 30 -8.680 18.808 12.106 1.00 23.42 H new ATOM 0 HD3 LYS A 30 -8.807 20.138 10.971 1.00 23.42 H new ATOM 0 HE2 LYS A 30 -11.030 19.722 10.961 1.00 61.33 H new ATOM 0 HE3 LYS A 30 -10.650 18.346 9.944 1.00 61.33 H new ATOM 0 HZ1 LYS A 30 -11.385 17.014 11.534 1.00 61.25 H new ATOM 0 HZ2 LYS A 30 -10.206 17.592 12.611 1.00 61.25 H new ATOM 0 HZ3 LYS A 30 -11.725 18.346 12.531 1.00 61.25 H new ATOM 470 N LEU A 31 -5.656 16.544 8.376 1.00 54.45 N ATOM 471 CA LEU A 31 -5.721 15.171 7.892 1.00 74.24 C ATOM 472 C LEU A 31 -7.158 14.660 7.892 1.00 40.00 C ATOM 473 O LEU A 31 -7.574 13.941 6.984 1.00 74.33 O ATOM 474 CB LEU A 31 -4.844 14.263 8.755 1.00 70.41 C ATOM 475 CG LEU A 31 -3.357 14.232 8.403 1.00 40.22 C ATOM 476 CD1 LEU A 31 -2.727 15.597 8.629 1.00 63.12 C ATOM 477 CD2 LEU A 31 -2.636 13.167 9.218 1.00 54.44 C ATOM 0 H LEU A 31 -4.969 16.699 9.114 1.00 54.45 H new ATOM 0 HA LEU A 31 -5.350 15.156 6.867 1.00 74.24 H new ATOM 0 HB2 LEU A 31 -4.944 14.576 9.794 1.00 70.41 H new ATOM 0 HB3 LEU A 31 -5.233 13.247 8.690 1.00 70.41 H new ATOM 0 HG LEU A 31 -3.259 13.979 7.347 1.00 40.22 H new ATOM 0 HD11 LEU A 31 -1.668 15.556 8.373 1.00 63.12 H new ATOM 0 HD12 LEU A 31 -3.224 16.336 8.000 1.00 63.12 H new ATOM 0 HD13 LEU A 31 -2.837 15.879 9.676 1.00 63.12 H new ATOM 0 HD21 LEU A 31 -1.579 13.160 8.953 1.00 54.44 H new ATOM 0 HD22 LEU A 31 -2.743 13.387 10.280 1.00 54.44 H new ATOM 0 HD23 LEU A 31 -3.070 12.190 9.005 1.00 54.44 H new ATOM 489 N LYS A 32 -7.914 15.039 8.918 1.00 63.24 N ATOM 490 CA LYS A 32 -9.307 14.623 9.036 1.00 21.34 C ATOM 491 C LYS A 32 -10.051 14.832 7.722 1.00 10.11 C ATOM 492 O LYS A 32 -10.680 13.911 7.200 1.00 54.42 O ATOM 493 CB LYS A 32 -9.999 15.402 10.157 1.00 34.31 C ATOM 494 CG LYS A 32 -9.351 15.215 11.518 1.00 22.24 C ATOM 495 CD LYS A 32 -10.308 14.570 12.507 1.00 42.33 C ATOM 496 CE LYS A 32 -10.352 13.060 12.335 1.00 71.31 C ATOM 497 NZ LYS A 32 -9.632 12.355 13.432 1.00 33.04 N ATOM 0 H LYS A 32 -7.585 15.633 9.679 1.00 63.24 H new ATOM 0 HA LYS A 32 -9.324 13.560 9.276 1.00 21.34 H new ATOM 0 HB2 LYS A 32 -9.997 16.463 9.906 1.00 34.31 H new ATOM 0 HB3 LYS A 32 -11.042 15.090 10.215 1.00 34.31 H new ATOM 0 HG2 LYS A 32 -8.460 14.596 11.416 1.00 22.24 H new ATOM 0 HG3 LYS A 32 -9.025 16.181 11.903 1.00 22.24 H new ATOM 0 HD2 LYS A 32 -10.000 14.813 13.524 1.00 42.33 H new ATOM 0 HD3 LYS A 32 -11.308 14.982 12.370 1.00 42.33 H new ATOM 0 HE2 LYS A 32 -11.390 12.728 12.309 1.00 71.31 H new ATOM 0 HE3 LYS A 32 -9.907 12.791 11.377 1.00 71.31 H new ATOM 0 HZ1 LYS A 32 -9.685 11.328 13.278 1.00 33.04 H new ATOM 0 HZ2 LYS A 32 -8.636 12.653 13.441 1.00 33.04 H new ATOM 0 HZ3 LYS A 32 -10.072 12.592 14.344 1.00 33.04 H new ATOM 511 N HIS A 33 -9.975 16.048 7.191 1.00 43.35 N ATOM 512 CA HIS A 33 -10.640 16.378 5.935 1.00 12.43 C ATOM 513 C HIS A 33 -10.168 15.458 4.813 1.00 11.34 C ATOM 514 O HIS A 33 -10.975 15.194 3.921 1.00 11.43 O ATOM 515 CB HIS A 33 -10.373 17.837 5.560 1.00 53.42 C ATOM 516 CG HIS A 33 -10.641 18.801 6.675 1.00 60.35 C ATOM 517 ND1 HIS A 33 -9.677 19.638 7.195 1.00 61.14 N ATOM 518 CD2 HIS A 33 -11.774 19.059 7.369 1.00 74.31 C ATOM 519 CE1 HIS A 33 -10.205 20.368 8.160 1.00 33.52 C ATOM 520 NE2 HIS A 33 -11.477 20.036 8.286 1.00 12.11 N ATOM 0 H HIS A 33 -9.459 16.822 7.611 1.00 43.35 H new ATOM 0 HA HIS A 33 -11.712 16.236 6.071 1.00 12.43 H new ATOM 0 HB2 HIS A 33 -9.334 17.938 5.245 1.00 53.42 H new ATOM 0 HB3 HIS A 33 -10.993 18.103 4.704 1.00 53.42 H new ATOM 0 HD2 HIS A 33 -12.734 18.584 7.227 1.00 74.31 H new ATOM 0 HE1 HIS A 33 -9.685 21.111 8.747 1.00 33.52 H new ATOM 0 HE2 HIS A 33 -12.132 20.440 8.956 1.00 12.11 H new ATOM 528 N ILE A 34 -8.929 14.981 4.832 1.00 23.11 N ATOM 529 CA ILE A 34 -8.435 14.097 3.783 1.00 3.43 C ATOM 530 C ILE A 34 -9.014 12.695 3.926 1.00 13.12 C ATOM 531 O ILE A 34 -9.819 12.256 3.104 1.00 23.21 O ATOM 532 CB ILE A 34 -6.897 14.009 3.799 1.00 5.14 C ATOM 533 CG1 ILE A 34 -6.284 15.412 3.809 1.00 22.34 C ATOM 534 CG2 ILE A 34 -6.399 13.217 2.599 1.00 1.12 C ATOM 535 CD1 ILE A 34 -4.781 15.412 3.982 1.00 41.02 C ATOM 0 H ILE A 34 -8.248 15.191 5.562 1.00 23.11 H new ATOM 0 HA ILE A 34 -8.757 14.525 2.834 1.00 3.43 H new ATOM 0 HB ILE A 34 -6.587 13.490 4.706 1.00 5.14 H new ATOM 0 HG12 ILE A 34 -6.534 15.916 2.876 1.00 22.34 H new ATOM 0 HG13 ILE A 34 -6.735 15.991 4.615 1.00 22.34 H new ATOM 0 HG21 ILE A 34 -5.311 13.164 2.624 1.00 1.12 H new ATOM 0 HG22 ILE A 34 -6.813 12.209 2.631 1.00 1.12 H new ATOM 0 HG23 ILE A 34 -6.717 13.710 1.680 1.00 1.12 H new ATOM 0 HD11 ILE A 34 -4.415 16.439 3.980 1.00 41.02 H new ATOM 0 HD12 ILE A 34 -4.524 14.937 4.929 1.00 41.02 H new ATOM 0 HD13 ILE A 34 -4.320 14.861 3.162 1.00 41.02 H new ATOM 547 N VAL A 35 -8.603 11.994 4.978 1.00 4.24 N ATOM 548 CA VAL A 35 -9.083 10.642 5.233 1.00 42.11 C ATOM 549 C VAL A 35 -10.595 10.554 5.058 1.00 70.11 C ATOM 550 O VAL A 35 -11.118 9.537 4.602 1.00 41.45 O ATOM 551 CB VAL A 35 -8.713 10.172 6.652 1.00 15.34 C ATOM 552 CG1 VAL A 35 -9.259 8.776 6.912 1.00 31.02 C ATOM 553 CG2 VAL A 35 -7.206 10.210 6.851 1.00 45.21 C ATOM 0 H VAL A 35 -7.937 12.341 5.668 1.00 4.24 H new ATOM 0 HA VAL A 35 -8.597 9.992 4.506 1.00 42.11 H new ATOM 0 HB VAL A 35 -9.168 10.853 7.371 1.00 15.34 H new ATOM 0 HG11 VAL A 35 -8.988 8.461 7.920 1.00 31.02 H new ATOM 0 HG12 VAL A 35 -10.345 8.786 6.815 1.00 31.02 H new ATOM 0 HG13 VAL A 35 -8.837 8.079 6.188 1.00 31.02 H new ATOM 0 HG21 VAL A 35 -6.964 9.875 7.859 1.00 45.21 H new ATOM 0 HG22 VAL A 35 -6.726 9.553 6.125 1.00 45.21 H new ATOM 0 HG23 VAL A 35 -6.846 11.229 6.711 1.00 45.21 H new ATOM 563 N TRP A 36 -11.290 11.625 5.423 1.00 42.04 N ATOM 564 CA TRP A 36 -12.743 11.668 5.304 1.00 2.32 C ATOM 565 C TRP A 36 -13.184 11.348 3.881 1.00 64.54 C ATOM 566 O TRP A 36 -13.943 10.405 3.654 1.00 40.23 O ATOM 567 CB TRP A 36 -13.267 13.046 5.716 1.00 43.13 C ATOM 568 CG TRP A 36 -14.754 13.179 5.585 1.00 31.54 C ATOM 569 CD1 TRP A 36 -15.689 12.897 6.541 1.00 51.33 C ATOM 570 CD2 TRP A 36 -15.477 13.624 4.432 1.00 23.02 C ATOM 571 NE1 TRP A 36 -16.949 13.141 6.050 1.00 34.41 N ATOM 572 CE2 TRP A 36 -16.847 13.588 4.759 1.00 33.24 C ATOM 573 CE3 TRP A 36 -15.101 14.051 3.156 1.00 50.14 C ATOM 574 CZ2 TRP A 36 -17.838 13.963 3.856 1.00 32.43 C ATOM 575 CZ3 TRP A 36 -16.086 14.421 2.261 1.00 50.35 C ATOM 576 CH2 TRP A 36 -17.441 14.376 2.614 1.00 1.30 C ATOM 0 H TRP A 36 -10.872 12.474 5.803 1.00 42.04 H new ATOM 0 HA TRP A 36 -13.160 10.913 5.971 1.00 2.32 H new ATOM 0 HB2 TRP A 36 -12.982 13.241 6.750 1.00 43.13 H new ATOM 0 HB3 TRP A 36 -12.786 13.808 5.103 1.00 43.13 H new ATOM 0 HD1 TRP A 36 -15.470 12.536 7.535 1.00 51.33 H new ATOM 0 HE1 TRP A 36 -17.820 13.010 6.564 1.00 34.41 H new ATOM 0 HE3 TRP A 36 -14.059 14.091 2.874 1.00 50.14 H new ATOM 0 HZ2 TRP A 36 -18.883 13.929 4.127 1.00 32.43 H new ATOM 0 HZ3 TRP A 36 -15.807 14.751 1.271 1.00 50.35 H new ATOM 0 HH2 TRP A 36 -18.187 14.673 1.891 1.00 1.30 H new ATOM 587 N ALA A 37 -12.703 12.136 2.925 1.00 22.31 N ATOM 588 CA ALA A 37 -13.047 11.933 1.523 1.00 2.01 C ATOM 589 C ALA A 37 -12.676 10.526 1.065 1.00 61.31 C ATOM 590 O ALA A 37 -13.391 9.913 0.272 1.00 22.42 O ATOM 591 CB ALA A 37 -12.353 12.972 0.654 1.00 53.52 C ATOM 0 H ALA A 37 -12.074 12.921 3.096 1.00 22.31 H new ATOM 0 HA ALA A 37 -14.126 12.049 1.419 1.00 2.01 H new ATOM 0 HB1 ALA A 37 -12.619 12.809 -0.390 1.00 53.52 H new ATOM 0 HB2 ALA A 37 -12.670 13.970 0.957 1.00 53.52 H new ATOM 0 HB3 ALA A 37 -11.273 12.882 0.772 1.00 53.52 H new ATOM 597 N SER A 38 -11.555 10.021 1.570 1.00 34.41 N ATOM 598 CA SER A 38 -11.088 8.687 1.209 1.00 63.33 C ATOM 599 C SER A 38 -12.086 7.623 1.653 1.00 34.52 C ATOM 600 O SER A 38 -12.282 6.616 0.972 1.00 62.32 O ATOM 601 CB SER A 38 -9.720 8.415 1.838 1.00 51.43 C ATOM 602 OG SER A 38 -9.841 7.590 2.984 1.00 74.01 O ATOM 0 H SER A 38 -10.954 10.515 2.230 1.00 34.41 H new ATOM 0 HA SER A 38 -10.996 8.643 0.124 1.00 63.33 H new ATOM 0 HB2 SER A 38 -9.069 7.935 1.107 1.00 51.43 H new ATOM 0 HB3 SER A 38 -9.249 9.358 2.113 1.00 51.43 H new ATOM 0 HG SER A 38 -10.263 8.097 3.709 1.00 74.01 H new ATOM 608 N ARG A 39 -12.714 7.853 2.802 1.00 61.14 N ATOM 609 CA ARG A 39 -13.691 6.913 3.340 1.00 41.52 C ATOM 610 C ARG A 39 -14.990 6.963 2.540 1.00 65.51 C ATOM 611 O ARG A 39 -15.720 5.975 2.464 1.00 23.11 O ATOM 612 CB ARG A 39 -13.974 7.226 4.811 1.00 43.03 C ATOM 613 CG ARG A 39 -13.150 6.393 5.779 1.00 41.40 C ATOM 614 CD ARG A 39 -13.984 5.296 6.421 1.00 73.32 C ATOM 615 NE ARG A 39 -13.237 4.565 7.440 1.00 63.43 N ATOM 616 CZ ARG A 39 -12.347 3.618 7.162 1.00 54.35 C ATOM 617 NH1 ARG A 39 -12.095 3.290 5.902 1.00 52.01 N ATOM 618 NH2 ARG A 39 -11.707 2.998 8.145 1.00 43.53 N ATOM 0 H ARG A 39 -12.564 8.681 3.378 1.00 61.14 H new ATOM 0 HA ARG A 39 -13.274 5.909 3.262 1.00 41.52 H new ATOM 0 HB2 ARG A 39 -13.776 8.282 4.994 1.00 43.03 H new ATOM 0 HB3 ARG A 39 -15.032 7.061 5.012 1.00 43.03 H new ATOM 0 HG2 ARG A 39 -12.307 5.948 5.251 1.00 41.40 H new ATOM 0 HG3 ARG A 39 -12.736 7.038 6.554 1.00 41.40 H new ATOM 0 HD2 ARG A 39 -14.875 5.734 6.870 1.00 73.32 H new ATOM 0 HD3 ARG A 39 -14.323 4.602 5.652 1.00 73.32 H new ATOM 0 HE ARG A 39 -13.407 4.794 8.419 1.00 63.43 H new ATOM 0 HH11 ARG A 39 -12.585 3.765 5.144 1.00 52.01 H new ATOM 0 HH12 ARG A 39 -11.411 2.563 5.691 1.00 52.01 H new ATOM 0 HH21 ARG A 39 -11.898 3.248 9.115 1.00 43.53 H new ATOM 0 HH22 ARG A 39 -11.024 2.271 7.930 1.00 43.53 H new ATOM 632 N GLU A 40 -15.269 8.118 1.945 1.00 13.24 N ATOM 633 CA GLU A 40 -16.481 8.294 1.152 1.00 2.13 C ATOM 634 C GLU A 40 -16.297 7.733 -0.255 1.00 44.53 C ATOM 635 O GLU A 40 -17.216 7.149 -0.828 1.00 74.12 O ATOM 636 CB GLU A 40 -16.856 9.776 1.077 1.00 20.44 C ATOM 637 CG GLU A 40 -18.355 10.024 1.056 1.00 31.55 C ATOM 638 CD GLU A 40 -18.816 10.911 2.196 1.00 40.51 C ATOM 639 OE1 GLU A 40 -18.295 10.752 3.319 1.00 44.23 O ATOM 640 OE2 GLU A 40 -19.697 11.765 1.964 1.00 54.02 O ATOM 0 H GLU A 40 -14.674 8.945 1.996 1.00 13.24 H new ATOM 0 HA GLU A 40 -17.287 7.746 1.640 1.00 2.13 H new ATOM 0 HB2 GLU A 40 -16.422 10.296 1.931 1.00 20.44 H new ATOM 0 HB3 GLU A 40 -16.412 10.210 0.181 1.00 20.44 H new ATOM 0 HG2 GLU A 40 -18.630 10.486 0.108 1.00 31.55 H new ATOM 0 HG3 GLU A 40 -18.878 9.069 1.109 1.00 31.55 H new ATOM 647 N LEU A 41 -15.101 7.916 -0.806 1.00 51.30 N ATOM 648 CA LEU A 41 -14.795 7.429 -2.146 1.00 54.24 C ATOM 649 C LEU A 41 -15.011 5.922 -2.241 1.00 43.13 C ATOM 650 O LEU A 41 -15.564 5.426 -3.222 1.00 12.12 O ATOM 651 CB LEU A 41 -13.351 7.774 -2.518 1.00 32.22 C ATOM 652 CG LEU A 41 -13.134 9.138 -3.171 1.00 10.42 C ATOM 653 CD1 LEU A 41 -11.655 9.372 -3.442 1.00 31.24 C ATOM 654 CD2 LEU A 41 -13.937 9.248 -4.460 1.00 5.13 C ATOM 0 H LEU A 41 -14.329 8.398 -0.345 1.00 51.30 H new ATOM 0 HA LEU A 41 -15.471 7.919 -2.847 1.00 54.24 H new ATOM 0 HB2 LEU A 41 -12.743 7.725 -1.615 1.00 32.22 H new ATOM 0 HB3 LEU A 41 -12.978 7.006 -3.195 1.00 32.22 H new ATOM 0 HG LEU A 41 -13.483 9.907 -2.482 1.00 10.42 H new ATOM 0 HD11 LEU A 41 -11.520 10.348 -3.907 1.00 31.24 H new ATOM 0 HD12 LEU A 41 -11.103 9.338 -2.503 1.00 31.24 H new ATOM 0 HD13 LEU A 41 -11.281 8.597 -4.111 1.00 31.24 H new ATOM 0 HD21 LEU A 41 -13.770 10.226 -4.911 1.00 5.13 H new ATOM 0 HD22 LEU A 41 -13.620 8.470 -5.154 1.00 5.13 H new ATOM 0 HD23 LEU A 41 -14.998 9.127 -4.239 1.00 5.13 H new ATOM 666 N GLU A 42 -14.572 5.201 -1.215 1.00 30.44 N ATOM 667 CA GLU A 42 -14.719 3.751 -1.182 1.00 62.32 C ATOM 668 C GLU A 42 -16.189 3.351 -1.270 1.00 71.52 C ATOM 669 O GLU A 42 -16.517 2.237 -1.681 1.00 43.41 O ATOM 670 CB GLU A 42 -14.100 3.182 0.096 1.00 25.53 C ATOM 671 CG GLU A 42 -13.130 2.038 -0.154 1.00 20.32 C ATOM 672 CD GLU A 42 -12.323 1.678 1.078 1.00 62.21 C ATOM 673 OE1 GLU A 42 -12.652 2.181 2.171 1.00 12.24 O ATOM 674 OE2 GLU A 42 -11.360 0.893 0.946 1.00 43.41 O ATOM 0 H GLU A 42 -14.112 5.597 -0.396 1.00 30.44 H new ATOM 0 HA GLU A 42 -14.196 3.339 -2.045 1.00 62.32 H new ATOM 0 HB2 GLU A 42 -13.579 3.981 0.624 1.00 25.53 H new ATOM 0 HB3 GLU A 42 -14.898 2.834 0.752 1.00 25.53 H new ATOM 0 HG2 GLU A 42 -13.686 1.162 -0.489 1.00 20.32 H new ATOM 0 HG3 GLU A 42 -12.451 2.312 -0.961 1.00 20.32 H new ATOM 681 N ARG A 43 -17.070 4.266 -0.880 1.00 40.52 N ATOM 682 CA ARG A 43 -18.504 4.009 -0.913 1.00 32.03 C ATOM 683 C ARG A 43 -19.069 4.254 -2.309 1.00 24.43 C ATOM 684 O ARG A 43 -20.117 3.718 -2.668 1.00 53.33 O ATOM 685 CB ARG A 43 -19.226 4.897 0.103 1.00 50.21 C ATOM 686 CG ARG A 43 -20.367 4.196 0.822 1.00 63.11 C ATOM 687 CD ARG A 43 -20.869 5.014 2.001 1.00 60.23 C ATOM 688 NE ARG A 43 -19.875 5.105 3.067 1.00 31.34 N ATOM 689 CZ ARG A 43 -19.601 4.109 3.903 1.00 14.30 C ATOM 690 NH1 ARG A 43 -20.242 2.954 3.796 1.00 55.13 N ATOM 691 NH2 ARG A 43 -18.683 4.268 4.847 1.00 13.22 N ATOM 0 H ARG A 43 -16.815 5.192 -0.537 1.00 40.52 H new ATOM 0 HA ARG A 43 -18.666 2.963 -0.653 1.00 32.03 H new ATOM 0 HB2 ARG A 43 -18.506 5.250 0.841 1.00 50.21 H new ATOM 0 HB3 ARG A 43 -19.616 5.777 -0.409 1.00 50.21 H new ATOM 0 HG2 ARG A 43 -21.186 4.022 0.124 1.00 63.11 H new ATOM 0 HG3 ARG A 43 -20.033 3.219 1.172 1.00 63.11 H new ATOM 0 HD2 ARG A 43 -21.130 6.017 1.662 1.00 60.23 H new ATOM 0 HD3 ARG A 43 -21.781 4.563 2.393 1.00 60.23 H new ATOM 0 HE ARG A 43 -19.363 5.981 3.176 1.00 31.34 H new ATOM 0 HH11 ARG A 43 -20.948 2.828 3.071 1.00 55.13 H new ATOM 0 HH12 ARG A 43 -20.030 2.191 4.439 1.00 55.13 H new ATOM 0 HH21 ARG A 43 -18.187 5.155 4.932 1.00 13.22 H new ATOM 0 HH22 ARG A 43 -18.473 3.503 5.488 1.00 13.22 H new ATOM 705 N PHE A 44 -18.366 5.066 -3.092 1.00 0.21 N ATOM 706 CA PHE A 44 -18.797 5.383 -4.449 1.00 33.50 C ATOM 707 C PHE A 44 -18.071 4.510 -5.468 1.00 41.53 C ATOM 708 O PHE A 44 -17.911 4.893 -6.626 1.00 43.41 O ATOM 709 CB PHE A 44 -18.547 6.860 -4.754 1.00 50.23 C ATOM 710 CG PHE A 44 -19.414 7.792 -3.957 1.00 2.41 C ATOM 711 CD1 PHE A 44 -20.779 7.574 -3.856 1.00 25.15 C ATOM 712 CD2 PHE A 44 -18.865 8.888 -3.309 1.00 23.32 C ATOM 713 CE1 PHE A 44 -21.578 8.431 -3.123 1.00 40.31 C ATOM 714 CE2 PHE A 44 -19.659 9.747 -2.575 1.00 52.34 C ATOM 715 CZ PHE A 44 -21.018 9.518 -2.482 1.00 11.13 C ATOM 0 H PHE A 44 -17.495 5.516 -2.810 1.00 0.21 H new ATOM 0 HA PHE A 44 -19.866 5.181 -4.521 1.00 33.50 H new ATOM 0 HB2 PHE A 44 -17.500 7.092 -4.556 1.00 50.23 H new ATOM 0 HB3 PHE A 44 -18.717 7.037 -5.816 1.00 50.23 H new ATOM 0 HD1 PHE A 44 -21.223 6.726 -4.355 1.00 25.15 H new ATOM 0 HD2 PHE A 44 -17.803 9.072 -3.379 1.00 23.32 H new ATOM 0 HE1 PHE A 44 -22.640 8.250 -3.052 1.00 40.31 H new ATOM 0 HE2 PHE A 44 -19.218 10.596 -2.075 1.00 52.34 H new ATOM 0 HZ PHE A 44 -21.641 10.188 -1.909 1.00 11.13 H new ATOM 725 N ALA A 45 -17.632 3.336 -5.027 1.00 74.45 N ATOM 726 CA ALA A 45 -16.924 2.408 -5.901 1.00 1.23 C ATOM 727 C ALA A 45 -15.602 3.002 -6.375 1.00 31.23 C ATOM 728 O ALA A 45 -15.090 2.636 -7.433 1.00 24.31 O ATOM 729 CB ALA A 45 -17.794 2.034 -7.090 1.00 42.43 C ATOM 0 H ALA A 45 -17.754 3.005 -4.070 1.00 74.45 H new ATOM 0 HA ALA A 45 -16.703 1.506 -5.330 1.00 1.23 H new ATOM 0 HB1 ALA A 45 -17.252 1.341 -7.734 1.00 42.43 H new ATOM 0 HB2 ALA A 45 -18.710 1.560 -6.736 1.00 42.43 H new ATOM 0 HB3 ALA A 45 -18.045 2.932 -7.654 1.00 42.43 H new ATOM 735 N VAL A 46 -15.054 3.922 -5.586 1.00 71.12 N ATOM 736 CA VAL A 46 -13.792 4.567 -5.926 1.00 23.20 C ATOM 737 C VAL A 46 -12.748 4.340 -4.837 1.00 71.02 C ATOM 738 O VAL A 46 -13.006 4.577 -3.659 1.00 24.13 O ATOM 739 CB VAL A 46 -13.974 6.081 -6.140 1.00 30.31 C ATOM 740 CG1 VAL A 46 -12.638 6.743 -6.443 1.00 33.45 C ATOM 741 CG2 VAL A 46 -14.974 6.345 -7.256 1.00 61.44 C ATOM 0 H VAL A 46 -15.465 4.237 -4.707 1.00 71.12 H new ATOM 0 HA VAL A 46 -13.447 4.116 -6.856 1.00 23.20 H new ATOM 0 HB VAL A 46 -14.367 6.515 -5.221 1.00 30.31 H new ATOM 0 HG11 VAL A 46 -12.787 7.813 -6.591 1.00 33.45 H new ATOM 0 HG12 VAL A 46 -11.956 6.584 -5.608 1.00 33.45 H new ATOM 0 HG13 VAL A 46 -12.213 6.307 -7.347 1.00 33.45 H new ATOM 0 HG21 VAL A 46 -15.090 7.420 -7.394 1.00 61.44 H new ATOM 0 HG22 VAL A 46 -14.612 5.898 -8.182 1.00 61.44 H new ATOM 0 HG23 VAL A 46 -15.937 5.907 -6.993 1.00 61.44 H new ATOM 751 N ASN A 47 -11.569 3.880 -5.243 1.00 34.12 N ATOM 752 CA ASN A 47 -10.485 3.620 -4.301 1.00 54.40 C ATOM 753 C ASN A 47 -9.918 4.926 -3.753 1.00 71.12 C ATOM 754 O ASN A 47 -9.743 5.908 -4.476 1.00 2.25 O ATOM 755 CB ASN A 47 -9.376 2.813 -4.978 1.00 32.24 C ATOM 756 CG ASN A 47 -9.903 1.565 -5.659 1.00 11.14 C ATOM 757 OD1 ASN A 47 -10.582 1.642 -6.683 1.00 74.14 O ATOM 758 ND2 ASN A 47 -9.593 0.405 -5.091 1.00 65.12 N ATOM 0 H ASN A 47 -11.340 3.680 -6.216 1.00 34.12 H new ATOM 0 HA ASN A 47 -10.889 3.042 -3.470 1.00 54.40 H new ATOM 0 HB2 ASN A 47 -8.872 3.440 -5.714 1.00 32.24 H new ATOM 0 HB3 ASN A 47 -8.630 2.531 -4.235 1.00 32.24 H new ATOM 0 HD21 ASN A 47 -9.920 -0.468 -5.504 1.00 65.12 H new ATOM 0 HD22 ASN A 47 -9.027 0.388 -4.242 1.00 65.12 H new ATOM 765 N PRO A 48 -9.622 4.939 -2.444 1.00 41.42 N ATOM 766 CA PRO A 48 -9.068 6.117 -1.770 1.00 42.21 C ATOM 767 C PRO A 48 -7.633 6.409 -2.198 1.00 13.21 C ATOM 768 O PRO A 48 -7.073 7.448 -1.854 1.00 3.52 O ATOM 769 CB PRO A 48 -9.117 5.734 -0.289 1.00 24.12 C ATOM 770 CG PRO A 48 -9.078 4.244 -0.282 1.00 5.32 C ATOM 771 CD PRO A 48 -9.804 3.806 -1.523 1.00 71.13 C ATOM 0 HA PRO A 48 -9.625 7.023 -2.009 1.00 42.21 H new ATOM 0 HB2 PRO A 48 -8.273 6.155 0.257 1.00 24.12 H new ATOM 0 HB3 PRO A 48 -10.023 6.109 0.187 1.00 24.12 H new ATOM 0 HG2 PRO A 48 -8.050 3.880 -0.282 1.00 5.32 H new ATOM 0 HG3 PRO A 48 -9.557 3.845 0.612 1.00 5.32 H new ATOM 0 HD2 PRO A 48 -9.384 2.886 -1.930 1.00 71.13 H new ATOM 0 HD3 PRO A 48 -10.859 3.615 -1.325 1.00 71.13 H new ATOM 779 N GLY A 49 -7.045 5.485 -2.951 1.00 52.34 N ATOM 780 CA GLY A 49 -5.682 5.662 -3.414 1.00 63.02 C ATOM 781 C GLY A 49 -5.576 6.684 -4.530 1.00 34.54 C ATOM 782 O GLY A 49 -4.506 7.246 -4.768 1.00 23.43 O ATOM 0 H GLY A 49 -7.489 4.616 -3.249 1.00 52.34 H new ATOM 0 HA2 GLY A 49 -5.056 5.975 -2.579 1.00 63.02 H new ATOM 0 HA3 GLY A 49 -5.293 4.706 -3.763 1.00 63.02 H new ATOM 786 N LEU A 50 -6.687 6.922 -5.217 1.00 44.42 N ATOM 787 CA LEU A 50 -6.715 7.883 -6.316 1.00 32.44 C ATOM 788 C LEU A 50 -6.398 9.289 -5.818 1.00 71.12 C ATOM 789 O LEU A 50 -5.986 10.154 -6.592 1.00 40.15 O ATOM 790 CB LEU A 50 -8.084 7.866 -6.998 1.00 13.21 C ATOM 791 CG LEU A 50 -8.520 6.529 -7.597 1.00 50.42 C ATOM 792 CD1 LEU A 50 -9.938 6.624 -8.139 1.00 64.11 C ATOM 793 CD2 LEU A 50 -7.557 6.096 -8.692 1.00 64.13 C ATOM 0 H LEU A 50 -7.580 6.464 -5.034 1.00 44.42 H new ATOM 0 HA LEU A 50 -5.952 7.594 -7.039 1.00 32.44 H new ATOM 0 HB2 LEU A 50 -8.834 8.177 -6.270 1.00 13.21 H new ATOM 0 HB3 LEU A 50 -8.081 8.613 -7.792 1.00 13.21 H new ATOM 0 HG LEU A 50 -8.504 5.777 -6.808 1.00 50.42 H new ATOM 0 HD11 LEU A 50 -10.231 5.663 -8.561 1.00 64.11 H new ATOM 0 HD12 LEU A 50 -10.620 6.888 -7.330 1.00 64.11 H new ATOM 0 HD13 LEU A 50 -9.981 7.389 -8.914 1.00 64.11 H new ATOM 0 HD21 LEU A 50 -7.883 5.142 -9.107 1.00 64.13 H new ATOM 0 HD22 LEU A 50 -7.541 6.848 -9.481 1.00 64.13 H new ATOM 0 HD23 LEU A 50 -6.556 5.987 -8.274 1.00 64.13 H new ATOM 805 N LEU A 51 -6.591 9.510 -4.523 1.00 12.52 N ATOM 806 CA LEU A 51 -6.324 10.812 -3.921 1.00 64.14 C ATOM 807 C LEU A 51 -4.849 10.950 -3.556 1.00 65.21 C ATOM 808 O LEU A 51 -4.374 12.046 -3.261 1.00 63.00 O ATOM 809 CB LEU A 51 -7.190 11.007 -2.675 1.00 43.51 C ATOM 810 CG LEU A 51 -8.693 10.804 -2.864 1.00 52.42 C ATOM 811 CD1 LEU A 51 -9.369 10.543 -1.528 1.00 33.50 C ATOM 812 CD2 LEU A 51 -9.312 12.014 -3.550 1.00 31.24 C ATOM 0 H LEU A 51 -6.931 8.805 -3.869 1.00 12.52 H new ATOM 0 HA LEU A 51 -6.572 11.581 -4.652 1.00 64.14 H new ATOM 0 HB2 LEU A 51 -6.844 10.317 -1.905 1.00 43.51 H new ATOM 0 HB3 LEU A 51 -7.025 12.016 -2.296 1.00 43.51 H new ATOM 0 HG LEU A 51 -8.845 9.932 -3.501 1.00 52.42 H new ATOM 0 HD11 LEU A 51 -10.439 10.401 -1.683 1.00 33.50 H new ATOM 0 HD12 LEU A 51 -8.946 9.646 -1.075 1.00 33.50 H new ATOM 0 HD13 LEU A 51 -9.208 11.394 -0.866 1.00 33.50 H new ATOM 0 HD21 LEU A 51 -10.382 11.852 -3.677 1.00 31.24 H new ATOM 0 HD22 LEU A 51 -9.149 12.902 -2.939 1.00 31.24 H new ATOM 0 HD23 LEU A 51 -8.848 12.155 -4.526 1.00 31.24 H new ATOM 824 N GLU A 52 -4.131 9.831 -3.580 1.00 53.44 N ATOM 825 CA GLU A 52 -2.710 9.830 -3.253 1.00 21.44 C ATOM 826 C GLU A 52 -1.892 10.453 -4.380 1.00 4.22 C ATOM 827 O GLU A 52 -0.830 11.033 -4.145 1.00 60.00 O ATOM 828 CB GLU A 52 -2.228 8.402 -2.987 1.00 44.42 C ATOM 829 CG GLU A 52 -0.765 8.320 -2.583 1.00 21.21 C ATOM 830 CD GLU A 52 -0.489 7.180 -1.620 1.00 41.41 C ATOM 831 OE1 GLU A 52 -1.141 7.130 -0.557 1.00 15.35 O ATOM 832 OE2 GLU A 52 0.380 6.339 -1.933 1.00 1.25 O ATOM 0 H GLU A 52 -4.509 8.915 -3.822 1.00 53.44 H new ATOM 0 HA GLU A 52 -2.569 10.428 -2.353 1.00 21.44 H new ATOM 0 HB2 GLU A 52 -2.839 7.962 -2.199 1.00 44.42 H new ATOM 0 HB3 GLU A 52 -2.383 7.802 -3.884 1.00 44.42 H new ATOM 0 HG2 GLU A 52 -0.152 8.194 -3.475 1.00 21.21 H new ATOM 0 HG3 GLU A 52 -0.466 9.261 -2.122 1.00 21.21 H new ATOM 839 N THR A 53 -2.392 10.330 -5.605 1.00 3.23 N ATOM 840 CA THR A 53 -1.707 10.879 -6.769 1.00 10.02 C ATOM 841 C THR A 53 -2.603 11.853 -7.525 1.00 14.45 C ATOM 842 O THR A 53 -3.782 11.579 -7.751 1.00 41.25 O ATOM 843 CB THR A 53 -1.254 9.765 -7.732 1.00 21.34 C ATOM 844 OG1 THR A 53 -2.259 9.536 -8.724 1.00 52.35 O ATOM 845 CG2 THR A 53 -0.979 8.474 -6.974 1.00 65.11 C ATOM 0 H THR A 53 -3.269 9.855 -5.817 1.00 3.23 H new ATOM 0 HA THR A 53 -0.829 11.408 -6.398 1.00 10.02 H new ATOM 0 HB THR A 53 -0.333 10.087 -8.217 1.00 21.34 H new ATOM 0 HG1 THR A 53 -1.962 8.828 -9.333 1.00 52.35 H new ATOM 0 HG21 THR A 53 -0.661 7.702 -7.674 1.00 65.11 H new ATOM 0 HG22 THR A 53 -0.192 8.644 -6.239 1.00 65.11 H new ATOM 0 HG23 THR A 53 -1.887 8.150 -6.465 1.00 65.11 H new ATOM 853 N SER A 54 -2.037 12.992 -7.912 1.00 42.31 N ATOM 854 CA SER A 54 -2.787 14.009 -8.640 1.00 4.33 C ATOM 855 C SER A 54 -3.535 13.394 -9.818 1.00 53.22 C ATOM 856 O SER A 54 -4.677 13.757 -10.099 1.00 42.22 O ATOM 857 CB SER A 54 -1.845 15.108 -9.137 1.00 1.45 C ATOM 858 OG SER A 54 -0.507 14.846 -8.751 1.00 4.41 O ATOM 0 H SER A 54 -1.062 13.234 -7.734 1.00 42.31 H new ATOM 0 HA SER A 54 -3.516 14.445 -7.958 1.00 4.33 H new ATOM 0 HB2 SER A 54 -1.906 15.180 -10.223 1.00 1.45 H new ATOM 0 HB3 SER A 54 -2.161 16.071 -8.735 1.00 1.45 H new ATOM 0 HG SER A 54 0.075 15.562 -9.082 1.00 4.41 H new ATOM 864 N GLU A 55 -2.882 12.460 -10.502 1.00 53.04 N ATOM 865 CA GLU A 55 -3.485 11.794 -11.651 1.00 72.24 C ATOM 866 C GLU A 55 -4.816 11.151 -11.271 1.00 34.14 C ATOM 867 O GLU A 55 -5.779 11.194 -12.035 1.00 50.11 O ATOM 868 CB GLU A 55 -2.535 10.733 -12.211 1.00 31.25 C ATOM 869 CG GLU A 55 -2.734 10.458 -13.692 1.00 12.23 C ATOM 870 CD GLU A 55 -2.398 9.029 -14.070 1.00 11.11 C ATOM 871 OE1 GLU A 55 -1.204 8.740 -14.295 1.00 61.35 O ATOM 872 OE2 GLU A 55 -3.329 8.200 -14.140 1.00 62.53 O ATOM 0 H GLU A 55 -1.937 12.148 -10.281 1.00 53.04 H new ATOM 0 HA GLU A 55 -3.670 12.546 -12.418 1.00 72.24 H new ATOM 0 HB2 GLU A 55 -1.507 11.054 -12.045 1.00 31.25 H new ATOM 0 HB3 GLU A 55 -2.673 9.805 -11.656 1.00 31.25 H new ATOM 0 HG2 GLU A 55 -3.769 10.667 -13.961 1.00 12.23 H new ATOM 0 HG3 GLU A 55 -2.111 11.139 -14.271 1.00 12.23 H new ATOM 879 N GLY A 56 -4.861 10.555 -10.083 1.00 2.44 N ATOM 880 CA GLY A 56 -6.076 9.911 -9.621 1.00 11.01 C ATOM 881 C GLY A 56 -7.189 10.903 -9.345 1.00 62.11 C ATOM 882 O GLY A 56 -8.348 10.654 -9.678 1.00 35.24 O ATOM 0 H GLY A 56 -4.077 10.507 -9.432 1.00 2.44 H new ATOM 0 HA2 GLY A 56 -6.411 9.193 -10.370 1.00 11.01 H new ATOM 0 HA3 GLY A 56 -5.862 9.348 -8.713 1.00 11.01 H new ATOM 886 N CYS A 57 -6.837 12.028 -8.734 1.00 42.30 N ATOM 887 CA CYS A 57 -7.815 13.061 -8.410 1.00 71.21 C ATOM 888 C CYS A 57 -8.352 13.717 -9.677 1.00 72.04 C ATOM 889 O CYS A 57 -9.450 14.274 -9.683 1.00 12.33 O ATOM 890 CB CYS A 57 -7.190 14.118 -7.499 1.00 43.13 C ATOM 891 SG CYS A 57 -7.571 13.901 -5.745 1.00 41.21 S ATOM 0 H CYS A 57 -5.882 12.249 -8.453 1.00 42.30 H new ATOM 0 HA CYS A 57 -8.646 12.588 -7.887 1.00 71.21 H new ATOM 0 HB2 CYS A 57 -6.108 14.100 -7.629 1.00 43.13 H new ATOM 0 HB3 CYS A 57 -7.533 15.103 -7.815 1.00 43.13 H new ATOM 0 HG CYS A 57 -6.996 14.842 -5.056 1.00 41.21 H new ATOM 897 N ARG A 58 -7.571 13.650 -10.750 1.00 65.20 N ATOM 898 CA ARG A 58 -7.966 14.240 -12.023 1.00 33.31 C ATOM 899 C ARG A 58 -9.168 13.507 -12.612 1.00 32.22 C ATOM 900 O ARG A 58 -9.978 14.097 -13.327 1.00 22.32 O ATOM 901 CB ARG A 58 -6.799 14.204 -13.011 1.00 41.50 C ATOM 902 CG ARG A 58 -6.772 15.387 -13.966 1.00 32.11 C ATOM 903 CD ARG A 58 -5.560 15.337 -14.881 1.00 4.42 C ATOM 904 NE ARG A 58 -4.351 15.819 -14.215 1.00 34.51 N ATOM 905 CZ ARG A 58 -3.164 15.887 -14.806 1.00 61.22 C ATOM 906 NH1 ARG A 58 -3.026 15.507 -16.068 1.00 65.14 N ATOM 907 NH2 ARG A 58 -2.112 16.335 -14.134 1.00 4.54 N ATOM 0 H ARG A 58 -6.660 13.192 -10.763 1.00 65.20 H new ATOM 0 HA ARG A 58 -8.247 15.277 -11.842 1.00 33.31 H new ATOM 0 HB2 ARG A 58 -5.863 14.177 -12.453 1.00 41.50 H new ATOM 0 HB3 ARG A 58 -6.852 13.282 -13.590 1.00 41.50 H new ATOM 0 HG2 ARG A 58 -7.682 15.392 -14.566 1.00 32.11 H new ATOM 0 HG3 ARG A 58 -6.761 16.316 -13.396 1.00 32.11 H new ATOM 0 HD2 ARG A 58 -5.404 14.313 -15.220 1.00 4.42 H new ATOM 0 HD3 ARG A 58 -5.750 15.941 -15.768 1.00 4.42 H new ATOM 0 HE ARG A 58 -4.423 16.120 -13.243 1.00 34.51 H new ATOM 0 HH11 ARG A 58 -3.833 15.161 -16.588 1.00 65.14 H new ATOM 0 HH12 ARG A 58 -2.113 15.560 -16.520 1.00 65.14 H new ATOM 0 HH21 ARG A 58 -2.214 16.628 -13.162 1.00 4.54 H new ATOM 0 HH22 ARG A 58 -1.201 16.387 -14.589 1.00 4.54 H new ATOM 921 N GLN A 59 -9.276 12.217 -12.306 1.00 70.04 N ATOM 922 CA GLN A 59 -10.378 11.404 -12.807 1.00 24.11 C ATOM 923 C GLN A 59 -11.593 11.511 -11.892 1.00 60.10 C ATOM 924 O GLN A 59 -12.731 11.356 -12.335 1.00 74.12 O ATOM 925 CB GLN A 59 -9.945 9.942 -12.931 1.00 73.04 C ATOM 926 CG GLN A 59 -9.247 9.623 -14.243 1.00 41.35 C ATOM 927 CD GLN A 59 -8.762 8.189 -14.313 1.00 3.03 C ATOM 928 OE1 GLN A 59 -9.487 7.298 -14.757 1.00 65.33 O ATOM 929 NE2 GLN A 59 -7.531 7.957 -13.873 1.00 41.52 N ATOM 0 H GLN A 59 -8.615 11.714 -11.715 1.00 70.04 H new ATOM 0 HA GLN A 59 -10.654 11.779 -13.793 1.00 24.11 H new ATOM 0 HB2 GLN A 59 -9.277 9.698 -12.105 1.00 73.04 H new ATOM 0 HB3 GLN A 59 -10.822 9.302 -12.831 1.00 73.04 H new ATOM 0 HG2 GLN A 59 -9.932 9.811 -15.070 1.00 41.35 H new ATOM 0 HG3 GLN A 59 -8.399 10.296 -14.372 1.00 41.35 H new ATOM 0 HE21 GLN A 59 -6.965 8.725 -13.513 1.00 41.52 H new ATOM 0 HE22 GLN A 59 -7.152 7.010 -13.895 1.00 41.52 H new ATOM 938 N ILE A 60 -11.344 11.777 -10.614 1.00 24.22 N ATOM 939 CA ILE A 60 -12.417 11.905 -9.637 1.00 11.20 C ATOM 940 C ILE A 60 -13.185 13.208 -9.832 1.00 21.24 C ATOM 941 O ILE A 60 -14.408 13.249 -9.688 1.00 61.41 O ATOM 942 CB ILE A 60 -11.877 11.852 -8.196 1.00 21.42 C ATOM 943 CG1 ILE A 60 -11.128 10.539 -7.957 1.00 31.20 C ATOM 944 CG2 ILE A 60 -13.015 12.008 -7.197 1.00 63.13 C ATOM 945 CD1 ILE A 60 -10.077 10.631 -6.874 1.00 25.00 C ATOM 0 H ILE A 60 -10.408 11.908 -10.231 1.00 24.22 H new ATOM 0 HA ILE A 60 -13.089 11.062 -9.795 1.00 11.20 H new ATOM 0 HB ILE A 60 -11.180 12.678 -8.055 1.00 21.42 H new ATOM 0 HG12 ILE A 60 -11.846 9.764 -7.690 1.00 31.20 H new ATOM 0 HG13 ILE A 60 -10.653 10.227 -8.887 1.00 31.20 H new ATOM 0 HG21 ILE A 60 -12.617 11.968 -6.183 1.00 63.13 H new ATOM 0 HG22 ILE A 60 -13.510 12.966 -7.356 1.00 63.13 H new ATOM 0 HG23 ILE A 60 -13.734 11.201 -7.336 1.00 63.13 H new ATOM 0 HD11 ILE A 60 -9.587 9.664 -6.759 1.00 25.00 H new ATOM 0 HD12 ILE A 60 -9.337 11.383 -7.148 1.00 25.00 H new ATOM 0 HD13 ILE A 60 -10.548 10.913 -5.932 1.00 25.00 H new ATOM 957 N LEU A 61 -12.460 14.271 -10.161 1.00 52.43 N ATOM 958 CA LEU A 61 -13.072 15.577 -10.379 1.00 13.45 C ATOM 959 C LEU A 61 -13.860 15.600 -11.685 1.00 23.40 C ATOM 960 O LEU A 61 -14.994 16.073 -11.731 1.00 54.13 O ATOM 961 CB LEU A 61 -12.001 16.668 -10.398 1.00 1.21 C ATOM 962 CG LEU A 61 -11.295 16.939 -9.068 1.00 62.40 C ATOM 963 CD1 LEU A 61 -9.922 17.546 -9.307 1.00 23.11 C ATOM 964 CD2 LEU A 61 -12.139 17.853 -8.192 1.00 73.34 C ATOM 0 H LEU A 61 -11.447 14.254 -10.283 1.00 52.43 H new ATOM 0 HA LEU A 61 -13.762 15.768 -9.557 1.00 13.45 H new ATOM 0 HB2 LEU A 61 -11.248 16.397 -11.138 1.00 1.21 H new ATOM 0 HB3 LEU A 61 -12.462 17.596 -10.738 1.00 1.21 H new ATOM 0 HG LEU A 61 -11.165 15.990 -8.548 1.00 62.40 H new ATOM 0 HD11 LEU A 61 -9.435 17.732 -8.350 1.00 23.11 H new ATOM 0 HD12 LEU A 61 -9.316 16.856 -9.894 1.00 23.11 H new ATOM 0 HD13 LEU A 61 -10.029 18.486 -9.848 1.00 23.11 H new ATOM 0 HD21 LEU A 61 -11.621 18.035 -7.250 1.00 73.34 H new ATOM 0 HD22 LEU A 61 -12.302 18.801 -8.705 1.00 73.34 H new ATOM 0 HD23 LEU A 61 -13.100 17.379 -7.992 1.00 73.34 H new ATOM 976 N GLY A 62 -13.249 15.081 -12.747 1.00 35.22 N ATOM 977 CA GLY A 62 -13.908 15.049 -14.040 1.00 12.31 C ATOM 978 C GLY A 62 -15.138 14.162 -14.042 1.00 44.31 C ATOM 979 O GLY A 62 -15.974 14.254 -14.940 1.00 32.51 O ATOM 0 H GLY A 62 -12.310 14.683 -12.735 1.00 35.22 H new ATOM 0 HA2 GLY A 62 -14.194 16.062 -14.324 1.00 12.31 H new ATOM 0 HA3 GLY A 62 -13.206 14.693 -14.794 1.00 12.31 H new ATOM 983 N GLN A 63 -15.247 13.302 -13.035 1.00 70.51 N ATOM 984 CA GLN A 63 -16.382 12.393 -12.926 1.00 75.01 C ATOM 985 C GLN A 63 -17.524 13.040 -12.150 1.00 32.24 C ATOM 986 O GLN A 63 -18.670 13.052 -12.603 1.00 65.35 O ATOM 987 CB GLN A 63 -15.958 11.092 -12.243 1.00 23.11 C ATOM 988 CG GLN A 63 -15.661 9.962 -13.217 1.00 5.45 C ATOM 989 CD GLN A 63 -14.823 8.862 -12.595 1.00 54.33 C ATOM 990 OE1 GLN A 63 -14.509 8.902 -11.405 1.00 42.45 O ATOM 991 NE2 GLN A 63 -14.459 7.870 -13.400 1.00 3.42 N ATOM 0 H GLN A 63 -14.563 13.215 -12.283 1.00 70.51 H new ATOM 0 HA GLN A 63 -16.733 12.168 -13.933 1.00 75.01 H new ATOM 0 HB2 GLN A 63 -15.071 11.281 -11.638 1.00 23.11 H new ATOM 0 HB3 GLN A 63 -16.747 10.775 -11.562 1.00 23.11 H new ATOM 0 HG2 GLN A 63 -16.600 9.540 -13.575 1.00 5.45 H new ATOM 0 HG3 GLN A 63 -15.140 10.364 -14.086 1.00 5.45 H new ATOM 0 HE21 GLN A 63 -14.742 7.878 -14.380 1.00 3.42 H new ATOM 0 HE22 GLN A 63 -13.896 7.100 -13.038 1.00 3.42 H new ATOM 1000 N LEU A 64 -17.206 13.576 -10.977 1.00 4.50 N ATOM 1001 CA LEU A 64 -18.206 14.226 -10.136 1.00 22.33 C ATOM 1002 C LEU A 64 -18.643 15.557 -10.738 1.00 50.31 C ATOM 1003 O LEU A 64 -19.793 15.969 -10.587 1.00 43.23 O ATOM 1004 CB LEU A 64 -17.650 14.449 -8.728 1.00 33.21 C ATOM 1005 CG LEU A 64 -17.078 13.215 -8.030 1.00 64.01 C ATOM 1006 CD1 LEU A 64 -16.273 13.620 -6.804 1.00 53.33 C ATOM 1007 CD2 LEU A 64 -18.193 12.254 -7.644 1.00 43.52 C ATOM 0 H LEU A 64 -16.264 13.574 -10.586 1.00 4.50 H new ATOM 0 HA LEU A 64 -19.076 13.572 -10.078 1.00 22.33 H new ATOM 0 HB2 LEU A 64 -16.868 15.206 -8.784 1.00 33.21 H new ATOM 0 HB3 LEU A 64 -18.446 14.858 -8.105 1.00 33.21 H new ATOM 0 HG LEU A 64 -16.411 12.705 -8.726 1.00 64.01 H new ATOM 0 HD11 LEU A 64 -15.874 12.729 -6.320 1.00 53.33 H new ATOM 0 HD12 LEU A 64 -15.450 14.268 -7.107 1.00 53.33 H new ATOM 0 HD13 LEU A 64 -16.917 14.154 -6.106 1.00 53.33 H new ATOM 0 HD21 LEU A 64 -17.766 11.382 -7.148 1.00 43.52 H new ATOM 0 HD22 LEU A 64 -18.886 12.754 -6.967 1.00 43.52 H new ATOM 0 HD23 LEU A 64 -18.727 11.937 -8.540 1.00 43.52 H new ATOM 1019 N GLN A 65 -17.719 16.223 -11.423 1.00 31.13 N ATOM 1020 CA GLN A 65 -18.011 17.507 -12.049 1.00 64.24 C ATOM 1021 C GLN A 65 -19.334 17.456 -12.805 1.00 71.21 C ATOM 1022 O GLN A 65 -20.275 18.191 -12.509 1.00 11.33 O ATOM 1023 CB GLN A 65 -16.880 17.901 -13.002 1.00 0.51 C ATOM 1024 CG GLN A 65 -17.339 18.768 -14.164 1.00 22.32 C ATOM 1025 CD GLN A 65 -16.184 19.427 -14.892 1.00 65.32 C ATOM 1026 OE1 GLN A 65 -15.045 18.965 -14.820 1.00 63.22 O ATOM 1027 NE2 GLN A 65 -16.472 20.513 -15.599 1.00 62.21 N ATOM 0 H GLN A 65 -16.763 15.895 -11.558 1.00 31.13 H new ATOM 0 HA GLN A 65 -18.093 18.257 -11.262 1.00 64.24 H new ATOM 0 HB2 GLN A 65 -16.113 18.435 -12.441 1.00 0.51 H new ATOM 0 HB3 GLN A 65 -16.416 16.997 -13.395 1.00 0.51 H new ATOM 0 HG2 GLN A 65 -17.905 18.157 -14.867 1.00 22.32 H new ATOM 0 HG3 GLN A 65 -18.016 19.537 -13.793 1.00 22.32 H new ATOM 0 HE21 GLN A 65 -17.430 20.861 -15.631 1.00 62.21 H new ATOM 0 HE22 GLN A 65 -15.735 20.999 -16.110 1.00 62.21 H new ATOM 1036 N PRO A 66 -19.410 16.567 -13.807 1.00 53.11 N ATOM 1037 CA PRO A 66 -20.614 16.399 -14.626 1.00 33.44 C ATOM 1038 C PRO A 66 -21.761 15.765 -13.846 1.00 51.24 C ATOM 1039 O PRO A 66 -22.887 15.682 -14.338 1.00 72.12 O ATOM 1040 CB PRO A 66 -20.152 15.466 -15.748 1.00 31.50 C ATOM 1041 CG PRO A 66 -19.008 14.710 -15.166 1.00 44.24 C ATOM 1042 CD PRO A 66 -18.326 15.657 -14.217 1.00 13.33 C ATOM 0 HA PRO A 66 -21.003 17.354 -14.979 1.00 33.44 H new ATOM 0 HB2 PRO A 66 -20.952 14.795 -16.059 1.00 31.50 H new ATOM 0 HB3 PRO A 66 -19.847 16.029 -16.630 1.00 31.50 H new ATOM 0 HG2 PRO A 66 -19.355 13.818 -14.645 1.00 44.24 H new ATOM 0 HG3 PRO A 66 -18.323 14.378 -15.946 1.00 44.24 H new ATOM 0 HD2 PRO A 66 -17.898 15.132 -13.363 1.00 13.33 H new ATOM 0 HD3 PRO A 66 -17.511 16.195 -14.702 1.00 13.33 H new ATOM 1050 N SER A 67 -21.470 15.322 -12.628 1.00 44.21 N ATOM 1051 CA SER A 67 -22.477 14.693 -11.782 1.00 2.35 C ATOM 1052 C SER A 67 -22.941 15.651 -10.688 1.00 23.43 C ATOM 1053 O SER A 67 -23.793 15.308 -9.867 1.00 55.21 O ATOM 1054 CB SER A 67 -21.920 13.414 -11.153 1.00 41.12 C ATOM 1055 OG SER A 67 -21.337 12.576 -12.136 1.00 43.11 O ATOM 0 H SER A 67 -20.544 15.387 -12.204 1.00 44.21 H new ATOM 0 HA SER A 67 -23.333 14.438 -12.406 1.00 2.35 H new ATOM 0 HB2 SER A 67 -21.175 13.670 -10.400 1.00 41.12 H new ATOM 0 HB3 SER A 67 -22.720 12.878 -10.641 1.00 41.12 H new ATOM 0 HG SER A 67 -20.419 12.870 -12.314 1.00 43.11 H new ATOM 1061 N LEU A 68 -22.373 16.851 -10.681 1.00 74.03 N ATOM 1062 CA LEU A 68 -22.727 17.860 -9.688 1.00 74.32 C ATOM 1063 C LEU A 68 -24.183 18.288 -9.843 1.00 52.34 C ATOM 1064 O LEU A 68 -24.807 18.753 -8.890 1.00 13.13 O ATOM 1065 CB LEU A 68 -21.810 19.077 -9.818 1.00 61.43 C ATOM 1066 CG LEU A 68 -20.492 19.009 -9.046 1.00 63.43 C ATOM 1067 CD1 LEU A 68 -19.437 19.878 -9.712 1.00 63.24 C ATOM 1068 CD2 LEU A 68 -20.699 19.433 -7.599 1.00 50.11 C ATOM 0 H LEU A 68 -21.665 17.150 -11.352 1.00 74.03 H new ATOM 0 HA LEU A 68 -22.599 17.421 -8.699 1.00 74.32 H new ATOM 0 HB2 LEU A 68 -21.582 19.224 -10.874 1.00 61.43 H new ATOM 0 HB3 LEU A 68 -22.359 19.958 -9.484 1.00 61.43 H new ATOM 0 HG LEU A 68 -20.141 17.977 -9.055 1.00 63.43 H new ATOM 0 HD11 LEU A 68 -18.506 19.817 -9.148 1.00 63.24 H new ATOM 0 HD12 LEU A 68 -19.268 19.529 -10.731 1.00 63.24 H new ATOM 0 HD13 LEU A 68 -19.780 20.913 -9.735 1.00 63.24 H new ATOM 0 HD21 LEU A 68 -19.751 19.378 -7.065 1.00 50.11 H new ATOM 0 HD22 LEU A 68 -21.074 20.456 -7.570 1.00 50.11 H new ATOM 0 HD23 LEU A 68 -21.421 18.768 -7.125 1.00 50.11 H new ATOM 1080 N GLN A 69 -24.717 18.127 -11.050 1.00 32.45 N ATOM 1081 CA GLN A 69 -26.100 18.496 -11.327 1.00 72.12 C ATOM 1082 C GLN A 69 -27.059 17.754 -10.402 1.00 21.40 C ATOM 1083 O GLN A 69 -27.962 18.351 -9.816 1.00 20.00 O ATOM 1084 CB GLN A 69 -26.447 18.196 -12.787 1.00 75.32 C ATOM 1085 CG GLN A 69 -27.843 18.648 -13.187 1.00 24.32 C ATOM 1086 CD GLN A 69 -28.065 20.129 -12.955 1.00 23.42 C ATOM 1087 OE1 GLN A 69 -27.509 20.969 -13.663 1.00 53.34 O ATOM 1088 NE2 GLN A 69 -28.880 20.457 -11.960 1.00 4.31 N ATOM 0 H GLN A 69 -24.214 17.744 -11.850 1.00 32.45 H new ATOM 0 HA GLN A 69 -26.206 19.566 -11.147 1.00 72.12 H new ATOM 0 HB2 GLN A 69 -25.717 18.684 -13.433 1.00 75.32 H new ATOM 0 HB3 GLN A 69 -26.358 17.123 -12.960 1.00 75.32 H new ATOM 0 HG2 GLN A 69 -28.007 18.421 -14.240 1.00 24.32 H new ATOM 0 HG3 GLN A 69 -28.581 18.081 -12.620 1.00 24.32 H new ATOM 0 HE21 GLN A 69 -29.319 19.727 -11.399 1.00 4.31 H new ATOM 0 HE22 GLN A 69 -29.067 21.439 -11.757 1.00 4.31 H new ATOM 1097 N THR A 70 -26.857 16.446 -10.275 1.00 22.54 N ATOM 1098 CA THR A 70 -27.703 15.621 -9.422 1.00 74.10 C ATOM 1099 C THR A 70 -26.887 14.945 -8.326 1.00 0.34 C ATOM 1100 O THR A 70 -27.142 13.797 -7.966 1.00 51.44 O ATOM 1101 CB THR A 70 -28.440 14.541 -10.237 1.00 25.11 C ATOM 1102 OG1 THR A 70 -27.510 13.837 -11.069 1.00 14.40 O ATOM 1103 CG2 THR A 70 -29.529 15.160 -11.097 1.00 52.54 C ATOM 0 H THR A 70 -26.114 15.935 -10.753 1.00 22.54 H new ATOM 0 HA THR A 70 -28.437 16.287 -8.967 1.00 74.10 H new ATOM 0 HB THR A 70 -28.904 13.844 -9.539 1.00 25.11 H new ATOM 0 HG1 THR A 70 -27.985 13.151 -11.583 1.00 14.40 H new ATOM 0 HG21 THR A 70 -30.035 14.377 -11.663 1.00 52.54 H new ATOM 0 HG22 THR A 70 -30.250 15.670 -10.459 1.00 52.54 H new ATOM 0 HG23 THR A 70 -29.084 15.877 -11.787 1.00 52.54 H new ATOM 1111 N GLY A 71 -25.904 15.668 -7.795 1.00 54.13 N ATOM 1112 CA GLY A 71 -25.067 15.122 -6.744 1.00 62.20 C ATOM 1113 C GLY A 71 -25.578 15.463 -5.358 1.00 42.23 C ATOM 1114 O GLY A 71 -25.809 16.632 -5.045 1.00 73.11 O ATOM 0 H GLY A 71 -25.674 16.621 -8.075 1.00 54.13 H new ATOM 0 HA2 GLY A 71 -25.015 14.039 -6.852 1.00 62.20 H new ATOM 0 HA3 GLY A 71 -24.052 15.503 -6.857 1.00 62.20 H new ATOM 1118 N SER A 72 -25.758 14.442 -4.527 1.00 30.24 N ATOM 1119 CA SER A 72 -26.251 14.640 -3.169 1.00 72.51 C ATOM 1120 C SER A 72 -25.308 15.538 -2.374 1.00 55.33 C ATOM 1121 O SER A 72 -24.333 16.061 -2.911 1.00 45.21 O ATOM 1122 CB SER A 72 -26.409 13.293 -2.460 1.00 52.03 C ATOM 1123 OG SER A 72 -25.233 12.513 -2.579 1.00 25.20 O ATOM 0 H SER A 72 -25.570 13.469 -4.770 1.00 30.24 H new ATOM 0 HA SER A 72 -27.224 15.128 -3.230 1.00 72.51 H new ATOM 0 HB2 SER A 72 -26.635 13.457 -1.406 1.00 52.03 H new ATOM 0 HB3 SER A 72 -27.253 12.751 -2.886 1.00 52.03 H new ATOM 0 HG SER A 72 -25.359 11.658 -2.116 1.00 25.20 H new ATOM 1129 N GLU A 73 -25.608 15.711 -1.090 1.00 43.12 N ATOM 1130 CA GLU A 73 -24.787 16.546 -0.221 1.00 14.41 C ATOM 1131 C GLU A 73 -23.400 15.940 -0.036 1.00 5.51 C ATOM 1132 O GLU A 73 -22.407 16.659 0.068 1.00 4.12 O ATOM 1133 CB GLU A 73 -25.465 16.724 1.140 1.00 24.30 C ATOM 1134 CG GLU A 73 -25.630 15.425 1.911 1.00 32.42 C ATOM 1135 CD GLU A 73 -26.983 15.316 2.586 1.00 74.31 C ATOM 1136 OE1 GLU A 73 -27.994 15.164 1.868 1.00 34.15 O ATOM 1137 OE2 GLU A 73 -27.032 15.381 3.832 1.00 0.03 O ATOM 0 H GLU A 73 -26.412 15.285 -0.630 1.00 43.12 H new ATOM 0 HA GLU A 73 -24.677 17.522 -0.695 1.00 14.41 H new ATOM 0 HB2 GLU A 73 -24.880 17.421 1.740 1.00 24.30 H new ATOM 0 HB3 GLU A 73 -26.446 17.176 0.992 1.00 24.30 H new ATOM 0 HG2 GLU A 73 -25.499 14.584 1.231 1.00 32.42 H new ATOM 0 HG3 GLU A 73 -24.845 15.351 2.664 1.00 32.42 H new ATOM 1144 N GLU A 74 -23.341 14.612 0.005 1.00 5.54 N ATOM 1145 CA GLU A 74 -22.074 13.910 0.179 1.00 71.11 C ATOM 1146 C GLU A 74 -21.119 14.218 -0.970 1.00 10.41 C ATOM 1147 O GLU A 74 -19.930 14.458 -0.756 1.00 62.04 O ATOM 1148 CB GLU A 74 -22.311 12.401 0.270 1.00 50.13 C ATOM 1149 CG GLU A 74 -22.582 11.912 1.682 1.00 20.54 C ATOM 1150 CD GLU A 74 -22.414 10.411 1.822 1.00 40.40 C ATOM 1151 OE1 GLU A 74 -21.383 9.885 1.353 1.00 31.31 O ATOM 1152 OE2 GLU A 74 -23.313 9.764 2.399 1.00 61.41 O ATOM 0 H GLU A 74 -24.154 14.002 -0.080 1.00 5.54 H new ATOM 0 HA GLU A 74 -21.620 14.256 1.108 1.00 71.11 H new ATOM 0 HB2 GLU A 74 -23.156 12.135 -0.366 1.00 50.13 H new ATOM 0 HB3 GLU A 74 -21.439 11.880 -0.125 1.00 50.13 H new ATOM 0 HG2 GLU A 74 -21.906 12.416 2.373 1.00 20.54 H new ATOM 0 HG3 GLU A 74 -23.596 12.189 1.970 1.00 20.54 H new ATOM 1159 N LEU A 75 -21.646 14.210 -2.188 1.00 71.44 N ATOM 1160 CA LEU A 75 -20.841 14.487 -3.373 1.00 52.01 C ATOM 1161 C LEU A 75 -20.339 15.927 -3.365 1.00 11.40 C ATOM 1162 O LEU A 75 -19.259 16.221 -3.878 1.00 24.55 O ATOM 1163 CB LEU A 75 -21.658 14.227 -4.641 1.00 65.11 C ATOM 1164 CG LEU A 75 -20.869 13.737 -5.857 1.00 54.42 C ATOM 1165 CD1 LEU A 75 -21.534 12.511 -6.464 1.00 5.24 C ATOM 1166 CD2 LEU A 75 -20.744 14.845 -6.892 1.00 45.33 C ATOM 0 H LEU A 75 -22.628 14.015 -2.382 1.00 71.44 H new ATOM 0 HA LEU A 75 -19.979 13.820 -3.360 1.00 52.01 H new ATOM 0 HB2 LEU A 75 -22.426 13.489 -4.410 1.00 65.11 H new ATOM 0 HB3 LEU A 75 -22.173 15.148 -4.913 1.00 65.11 H new ATOM 0 HG LEU A 75 -19.867 13.458 -5.530 1.00 54.42 H new ATOM 0 HD11 LEU A 75 -20.960 12.176 -7.328 1.00 5.24 H new ATOM 0 HD12 LEU A 75 -21.573 11.713 -5.722 1.00 5.24 H new ATOM 0 HD13 LEU A 75 -22.547 12.764 -6.778 1.00 5.24 H new ATOM 0 HD21 LEU A 75 -20.180 14.479 -7.750 1.00 45.33 H new ATOM 0 HD22 LEU A 75 -21.738 15.154 -7.216 1.00 45.33 H new ATOM 0 HD23 LEU A 75 -20.224 15.696 -6.453 1.00 45.33 H new ATOM 1178 N ARG A 76 -21.128 16.821 -2.777 1.00 60.53 N ATOM 1179 CA ARG A 76 -20.763 18.230 -2.702 1.00 31.54 C ATOM 1180 C ARG A 76 -19.478 18.416 -1.899 1.00 11.15 C ATOM 1181 O ARG A 76 -18.531 19.049 -2.362 1.00 50.51 O ATOM 1182 CB ARG A 76 -21.895 19.039 -2.066 1.00 75.52 C ATOM 1183 CG ARG A 76 -22.021 20.449 -2.619 1.00 61.24 C ATOM 1184 CD ARG A 76 -22.876 21.326 -1.718 1.00 13.51 C ATOM 1185 NE ARG A 76 -22.140 21.787 -0.544 1.00 71.31 N ATOM 1186 CZ ARG A 76 -22.537 22.795 0.224 1.00 43.23 C ATOM 1187 NH1 ARG A 76 -23.658 23.445 -0.058 1.00 53.50 N ATOM 1188 NH2 ARG A 76 -21.813 23.156 1.275 1.00 20.34 N ATOM 0 H ARG A 76 -22.024 16.594 -2.346 1.00 60.53 H new ATOM 0 HA ARG A 76 -20.594 18.590 -3.717 1.00 31.54 H new ATOM 0 HB2 ARG A 76 -22.837 18.512 -2.219 1.00 75.52 H new ATOM 0 HB3 ARG A 76 -21.731 19.093 -0.990 1.00 75.52 H new ATOM 0 HG2 ARG A 76 -21.030 20.890 -2.723 1.00 61.24 H new ATOM 0 HG3 ARG A 76 -22.460 20.412 -3.616 1.00 61.24 H new ATOM 0 HD2 ARG A 76 -23.233 22.187 -2.283 1.00 13.51 H new ATOM 0 HD3 ARG A 76 -23.756 20.768 -1.398 1.00 13.51 H new ATOM 0 HE ARG A 76 -21.273 21.308 -0.300 1.00 71.31 H new ATOM 0 HH11 ARG A 76 -24.217 23.171 -0.866 1.00 53.50 H new ATOM 0 HH12 ARG A 76 -23.961 24.219 0.533 1.00 53.50 H new ATOM 0 HH21 ARG A 76 -20.950 22.659 1.495 1.00 20.34 H new ATOM 0 HH22 ARG A 76 -22.120 23.931 1.864 1.00 20.34 H new ATOM 1202 N SER A 77 -19.455 17.859 -0.692 1.00 3.10 N ATOM 1203 CA SER A 77 -18.289 17.967 0.178 1.00 20.10 C ATOM 1204 C SER A 77 -17.043 17.427 -0.517 1.00 2.23 C ATOM 1205 O SER A 77 -15.967 18.024 -0.440 1.00 53.43 O ATOM 1206 CB SER A 77 -18.529 17.208 1.484 1.00 64.34 C ATOM 1207 OG SER A 77 -19.207 18.018 2.428 1.00 12.02 O ATOM 0 H SER A 77 -20.230 17.329 -0.294 1.00 3.10 H new ATOM 0 HA SER A 77 -18.130 19.021 0.404 1.00 20.10 H new ATOM 0 HB2 SER A 77 -19.114 16.310 1.284 1.00 64.34 H new ATOM 0 HB3 SER A 77 -17.575 16.881 1.899 1.00 64.34 H new ATOM 0 HG SER A 77 -19.350 17.509 3.253 1.00 12.02 H new ATOM 1213 N LEU A 78 -17.193 16.294 -1.192 1.00 74.05 N ATOM 1214 CA LEU A 78 -16.080 15.672 -1.902 1.00 21.42 C ATOM 1215 C LEU A 78 -15.433 16.657 -2.869 1.00 70.35 C ATOM 1216 O LEU A 78 -14.236 16.933 -2.783 1.00 24.34 O ATOM 1217 CB LEU A 78 -16.561 14.435 -2.661 1.00 31.51 C ATOM 1218 CG LEU A 78 -16.181 13.084 -2.053 1.00 21.44 C ATOM 1219 CD1 LEU A 78 -14.673 12.977 -1.893 1.00 25.22 C ATOM 1220 CD2 LEU A 78 -16.876 12.886 -0.714 1.00 52.44 C ATOM 0 H LEU A 78 -18.075 15.786 -1.263 1.00 74.05 H new ATOM 0 HA LEU A 78 -15.334 15.371 -1.166 1.00 21.42 H new ATOM 0 HB2 LEU A 78 -17.647 14.482 -2.741 1.00 31.51 H new ATOM 0 HB3 LEU A 78 -16.164 14.479 -3.675 1.00 31.51 H new ATOM 0 HG LEU A 78 -16.512 12.297 -2.731 1.00 21.44 H new ATOM 0 HD11 LEU A 78 -14.421 12.009 -1.459 1.00 25.22 H new ATOM 0 HD12 LEU A 78 -14.196 13.073 -2.868 1.00 25.22 H new ATOM 0 HD13 LEU A 78 -14.319 13.772 -1.237 1.00 25.22 H new ATOM 0 HD21 LEU A 78 -16.593 11.919 -0.297 1.00 52.44 H new ATOM 0 HD22 LEU A 78 -16.577 13.679 -0.028 1.00 52.44 H new ATOM 0 HD23 LEU A 78 -17.956 12.918 -0.856 1.00 52.44 H new ATOM 1232 N TYR A 79 -16.231 17.186 -3.790 1.00 70.45 N ATOM 1233 CA TYR A 79 -15.736 18.139 -4.775 1.00 55.43 C ATOM 1234 C TYR A 79 -14.913 19.235 -4.106 1.00 13.41 C ATOM 1235 O TYR A 79 -13.862 19.632 -4.607 1.00 53.04 O ATOM 1236 CB TYR A 79 -16.903 18.761 -5.545 1.00 11.31 C ATOM 1237 CG TYR A 79 -16.556 19.138 -6.968 1.00 53.14 C ATOM 1238 CD1 TYR A 79 -15.954 18.222 -7.823 1.00 52.43 C ATOM 1239 CD2 TYR A 79 -16.829 20.409 -7.457 1.00 2.14 C ATOM 1240 CE1 TYR A 79 -15.635 18.563 -9.124 1.00 54.21 C ATOM 1241 CE2 TYR A 79 -16.515 20.758 -8.756 1.00 43.24 C ATOM 1242 CZ TYR A 79 -15.918 19.832 -9.586 1.00 31.44 C ATOM 1243 OH TYR A 79 -15.603 20.175 -10.880 1.00 24.04 O ATOM 0 H TYR A 79 -17.224 16.970 -3.875 1.00 70.45 H new ATOM 0 HA TYR A 79 -15.094 17.601 -5.473 1.00 55.43 H new ATOM 0 HB2 TYR A 79 -17.736 18.058 -5.557 1.00 11.31 H new ATOM 0 HB3 TYR A 79 -17.244 19.650 -5.015 1.00 11.31 H new ATOM 0 HD1 TYR A 79 -15.732 17.228 -7.465 1.00 52.43 H new ATOM 0 HD2 TYR A 79 -17.295 21.137 -6.810 1.00 2.14 H new ATOM 0 HE1 TYR A 79 -15.167 17.840 -9.775 1.00 54.21 H new ATOM 0 HE2 TYR A 79 -16.736 21.751 -9.120 1.00 43.24 H new ATOM 0 HH TYR A 79 -15.869 21.103 -11.046 1.00 24.04 H new ATOM 1253 N ASN A 80 -15.400 19.722 -2.968 1.00 74.20 N ATOM 1254 CA ASN A 80 -14.710 20.772 -2.228 1.00 72.52 C ATOM 1255 C ASN A 80 -13.312 20.320 -1.818 1.00 34.34 C ATOM 1256 O ASN A 80 -12.311 20.916 -2.219 1.00 75.13 O ATOM 1257 CB ASN A 80 -15.516 21.164 -0.988 1.00 50.21 C ATOM 1258 CG ASN A 80 -16.372 22.394 -1.220 1.00 3.34 C ATOM 1259 OD1 ASN A 80 -16.917 22.590 -2.306 1.00 51.00 O ATOM 1260 ND2 ASN A 80 -16.493 23.233 -0.196 1.00 60.34 N ATOM 0 H ASN A 80 -16.270 19.406 -2.539 1.00 74.20 H new ATOM 0 HA ASN A 80 -14.615 21.640 -2.881 1.00 72.52 H new ATOM 0 HB2 ASN A 80 -16.154 20.331 -0.694 1.00 50.21 H new ATOM 0 HB3 ASN A 80 -14.834 21.351 -0.159 1.00 50.21 H new ATOM 0 HD21 ASN A 80 -17.055 24.079 -0.293 1.00 60.34 H new ATOM 0 HD22 ASN A 80 -16.024 23.031 0.687 1.00 60.34 H new ATOM 1267 N THR A 81 -13.250 19.262 -1.014 1.00 43.15 N ATOM 1268 CA THR A 81 -11.975 18.730 -0.549 1.00 53.33 C ATOM 1269 C THR A 81 -11.063 18.385 -1.720 1.00 60.23 C ATOM 1270 O THR A 81 -9.939 18.879 -1.811 1.00 2.45 O ATOM 1271 CB THR A 81 -12.175 17.474 0.320 1.00 21.33 C ATOM 1272 OG1 THR A 81 -13.171 17.723 1.319 1.00 22.12 O ATOM 1273 CG2 THR A 81 -10.871 17.066 0.988 1.00 64.34 C ATOM 0 H THR A 81 -14.068 18.757 -0.672 1.00 43.15 H new ATOM 0 HA THR A 81 -11.508 19.509 0.053 1.00 53.33 H new ATOM 0 HB THR A 81 -12.504 16.660 -0.326 1.00 21.33 H new ATOM 0 HG1 THR A 81 -13.294 16.919 1.866 1.00 22.12 H new ATOM 0 HG21 THR A 81 -11.037 16.177 1.596 1.00 64.34 H new ATOM 0 HG22 THR A 81 -10.123 16.849 0.225 1.00 64.34 H new ATOM 0 HG23 THR A 81 -10.517 17.879 1.622 1.00 64.34 H new ATOM 1281 N ILE A 82 -11.553 17.533 -2.615 1.00 33.43 N ATOM 1282 CA ILE A 82 -10.782 17.123 -3.781 1.00 42.32 C ATOM 1283 C ILE A 82 -10.215 18.332 -4.519 1.00 31.24 C ATOM 1284 O ILE A 82 -9.053 18.338 -4.920 1.00 24.21 O ATOM 1285 CB ILE A 82 -11.637 16.295 -4.758 1.00 62.23 C ATOM 1286 CG1 ILE A 82 -12.185 15.048 -4.061 1.00 41.51 C ATOM 1287 CG2 ILE A 82 -10.817 15.906 -5.981 1.00 51.41 C ATOM 1288 CD1 ILE A 82 -13.384 14.444 -4.756 1.00 52.34 C ATOM 0 H ILE A 82 -12.481 17.114 -2.554 1.00 33.43 H new ATOM 0 HA ILE A 82 -9.961 16.506 -3.415 1.00 42.32 H new ATOM 0 HB ILE A 82 -12.479 16.905 -5.086 1.00 62.23 H new ATOM 0 HG12 ILE A 82 -11.395 14.299 -4.000 1.00 41.51 H new ATOM 0 HG13 ILE A 82 -12.460 15.305 -3.038 1.00 41.51 H new ATOM 0 HG21 ILE A 82 -11.435 15.321 -6.662 1.00 51.41 H new ATOM 0 HG22 ILE A 82 -10.470 16.806 -6.488 1.00 51.41 H new ATOM 0 HG23 ILE A 82 -9.958 15.312 -5.669 1.00 51.41 H new ATOM 0 HD11 ILE A 82 -13.718 13.564 -4.206 1.00 52.34 H new ATOM 0 HD12 ILE A 82 -14.190 15.177 -4.793 1.00 52.34 H new ATOM 0 HD13 ILE A 82 -13.109 14.155 -5.770 1.00 52.34 H new ATOM 1300 N ALA A 83 -11.045 19.356 -4.691 1.00 31.22 N ATOM 1301 CA ALA A 83 -10.626 20.572 -5.376 1.00 1.52 C ATOM 1302 C ALA A 83 -9.370 21.155 -4.738 1.00 5.12 C ATOM 1303 O ALA A 83 -8.437 21.555 -5.435 1.00 65.20 O ATOM 1304 CB ALA A 83 -11.750 21.598 -5.365 1.00 32.31 C ATOM 0 H ALA A 83 -12.011 19.367 -4.365 1.00 31.22 H new ATOM 0 HA ALA A 83 -10.393 20.316 -6.409 1.00 1.52 H new ATOM 0 HB1 ALA A 83 -11.423 22.501 -5.880 1.00 32.31 H new ATOM 0 HB2 ALA A 83 -12.623 21.187 -5.872 1.00 32.31 H new ATOM 0 HB3 ALA A 83 -12.010 21.842 -4.335 1.00 32.31 H new ATOM 1310 N VAL A 84 -9.352 21.203 -3.410 1.00 31.23 N ATOM 1311 CA VAL A 84 -8.210 21.738 -2.679 1.00 62.21 C ATOM 1312 C VAL A 84 -7.021 20.786 -2.745 1.00 42.35 C ATOM 1313 O VAL A 84 -5.900 21.195 -3.055 1.00 15.02 O ATOM 1314 CB VAL A 84 -8.561 21.999 -1.202 1.00 11.51 C ATOM 1315 CG1 VAL A 84 -7.442 22.766 -0.515 1.00 12.44 C ATOM 1316 CG2 VAL A 84 -9.879 22.753 -1.094 1.00 72.35 C ATOM 0 H VAL A 84 -10.116 20.877 -2.818 1.00 31.23 H new ATOM 0 HA VAL A 84 -7.944 22.682 -3.155 1.00 62.21 H new ATOM 0 HB VAL A 84 -8.674 21.039 -0.698 1.00 11.51 H new ATOM 0 HG11 VAL A 84 -7.708 22.941 0.528 1.00 12.44 H new ATOM 0 HG12 VAL A 84 -6.521 22.185 -0.562 1.00 12.44 H new ATOM 0 HG13 VAL A 84 -7.294 23.722 -1.017 1.00 12.44 H new ATOM 0 HG21 VAL A 84 -10.112 22.929 -0.044 1.00 72.35 H new ATOM 0 HG22 VAL A 84 -9.795 23.708 -1.612 1.00 72.35 H new ATOM 0 HG23 VAL A 84 -10.674 22.162 -1.548 1.00 72.35 H new ATOM 1326 N LEU A 85 -7.271 19.514 -2.455 1.00 30.21 N ATOM 1327 CA LEU A 85 -6.220 18.502 -2.482 1.00 43.10 C ATOM 1328 C LEU A 85 -5.552 18.448 -3.852 1.00 40.20 C ATOM 1329 O LEU A 85 -4.352 18.697 -3.979 1.00 74.10 O ATOM 1330 CB LEU A 85 -6.797 17.131 -2.129 1.00 23.32 C ATOM 1331 CG LEU A 85 -5.811 16.119 -1.544 1.00 71.34 C ATOM 1332 CD1 LEU A 85 -6.197 15.761 -0.118 1.00 2.24 C ATOM 1333 CD2 LEU A 85 -5.752 14.870 -2.411 1.00 62.51 C ATOM 0 H LEU A 85 -8.192 19.159 -2.198 1.00 30.21 H new ATOM 0 HA LEU A 85 -5.468 18.774 -1.742 1.00 43.10 H new ATOM 0 HB2 LEU A 85 -7.608 17.273 -1.415 1.00 23.32 H new ATOM 0 HB3 LEU A 85 -7.237 16.701 -3.029 1.00 23.32 H new ATOM 0 HG LEU A 85 -4.820 16.574 -1.528 1.00 71.34 H new ATOM 0 HD11 LEU A 85 -5.484 15.040 0.282 1.00 2.24 H new ATOM 0 HD12 LEU A 85 -6.188 16.660 0.498 1.00 2.24 H new ATOM 0 HD13 LEU A 85 -7.196 15.326 -0.110 1.00 2.24 H new ATOM 0 HD21 LEU A 85 -5.045 14.161 -1.980 1.00 62.51 H new ATOM 0 HD22 LEU A 85 -6.741 14.414 -2.459 1.00 62.51 H new ATOM 0 HD23 LEU A 85 -5.428 15.140 -3.416 1.00 62.51 H new ATOM 1345 N TYR A 86 -6.335 18.124 -4.875 1.00 15.03 N ATOM 1346 CA TYR A 86 -5.820 18.038 -6.235 1.00 70.23 C ATOM 1347 C TYR A 86 -4.951 19.247 -6.567 1.00 4.13 C ATOM 1348 O TYR A 86 -3.862 19.108 -7.125 1.00 3.31 O ATOM 1349 CB TYR A 86 -6.973 17.936 -7.235 1.00 52.51 C ATOM 1350 CG TYR A 86 -6.541 18.092 -8.676 1.00 15.15 C ATOM 1351 CD1 TYR A 86 -6.484 19.346 -9.272 1.00 22.03 C ATOM 1352 CD2 TYR A 86 -6.193 16.986 -9.441 1.00 52.42 C ATOM 1353 CE1 TYR A 86 -6.091 19.494 -10.588 1.00 2.34 C ATOM 1354 CE2 TYR A 86 -5.798 17.125 -10.757 1.00 43.30 C ATOM 1355 CZ TYR A 86 -5.748 18.381 -11.326 1.00 53.13 C ATOM 1356 OH TYR A 86 -5.356 18.523 -12.637 1.00 73.44 O ATOM 0 H TYR A 86 -7.330 17.916 -4.787 1.00 15.03 H new ATOM 0 HA TYR A 86 -5.205 17.141 -6.306 1.00 70.23 H new ATOM 0 HB2 TYR A 86 -7.463 16.970 -7.114 1.00 52.51 H new ATOM 0 HB3 TYR A 86 -7.714 18.701 -7.002 1.00 52.51 H new ATOM 0 HD1 TYR A 86 -6.752 20.220 -8.696 1.00 22.03 H new ATOM 0 HD2 TYR A 86 -6.232 16.001 -8.999 1.00 52.42 H new ATOM 0 HE1 TYR A 86 -6.053 20.476 -11.036 1.00 2.34 H new ATOM 0 HE2 TYR A 86 -5.530 16.255 -11.338 1.00 43.30 H new ATOM 0 HH TYR A 86 -4.445 18.178 -12.745 1.00 73.44 H new ATOM 1366 N CYS A 87 -5.439 20.432 -6.217 1.00 75.10 N ATOM 1367 CA CYS A 87 -4.708 21.667 -6.477 1.00 65.43 C ATOM 1368 C CYS A 87 -3.313 21.612 -5.862 1.00 52.33 C ATOM 1369 O CYS A 87 -2.323 21.949 -6.512 1.00 44.13 O ATOM 1370 CB CYS A 87 -5.477 22.866 -5.921 1.00 20.24 C ATOM 1371 SG CYS A 87 -6.585 23.651 -7.115 1.00 41.43 S ATOM 0 H CYS A 87 -6.338 20.564 -5.753 1.00 75.10 H new ATOM 0 HA CYS A 87 -4.606 21.780 -7.556 1.00 65.43 H new ATOM 0 HB2 CYS A 87 -6.060 22.542 -5.059 1.00 20.24 H new ATOM 0 HB3 CYS A 87 -4.763 23.607 -5.562 1.00 20.24 H new ATOM 0 HG CYS A 87 -7.793 23.201 -6.947 1.00 41.43 H new ATOM 1377 N VAL A 88 -3.243 21.188 -4.604 1.00 42.51 N ATOM 1378 CA VAL A 88 -1.970 21.091 -3.901 1.00 63.02 C ATOM 1379 C VAL A 88 -0.971 20.249 -4.686 1.00 70.14 C ATOM 1380 O VAL A 88 0.199 20.612 -4.814 1.00 30.50 O ATOM 1381 CB VAL A 88 -2.148 20.479 -2.499 1.00 13.31 C ATOM 1382 CG1 VAL A 88 -0.830 20.489 -1.740 1.00 13.14 C ATOM 1383 CG2 VAL A 88 -3.224 21.227 -1.726 1.00 32.13 C ATOM 0 H VAL A 88 -4.053 20.906 -4.051 1.00 42.51 H new ATOM 0 HA VAL A 88 -1.586 22.106 -3.801 1.00 63.02 H new ATOM 0 HB VAL A 88 -2.466 19.443 -2.611 1.00 13.31 H new ATOM 0 HG11 VAL A 88 -0.976 20.053 -0.752 1.00 13.14 H new ATOM 0 HG12 VAL A 88 -0.090 19.906 -2.288 1.00 13.14 H new ATOM 0 HG13 VAL A 88 -0.478 21.515 -1.635 1.00 13.14 H new ATOM 0 HG21 VAL A 88 -3.338 20.782 -0.737 1.00 32.13 H new ATOM 0 HG22 VAL A 88 -2.937 22.273 -1.622 1.00 32.13 H new ATOM 0 HG23 VAL A 88 -4.170 21.162 -2.264 1.00 32.13 H new ATOM 1393 N HIS A 89 -1.440 19.122 -5.213 1.00 33.43 N ATOM 1394 CA HIS A 89 -0.588 18.227 -5.988 1.00 65.32 C ATOM 1395 C HIS A 89 0.019 18.956 -7.184 1.00 30.22 C ATOM 1396 O HIS A 89 1.172 18.663 -7.499 1.00 32.45 O ATOM 1397 CB HIS A 89 -1.388 17.015 -6.468 1.00 22.12 C ATOM 1398 CG HIS A 89 -1.814 16.102 -5.360 1.00 14.32 C ATOM 1399 ND1 HIS A 89 -1.019 15.817 -4.270 1.00 2.30 N ATOM 1400 CD2 HIS A 89 -2.963 15.409 -5.176 1.00 21.41 C ATOM 1401 CE1 HIS A 89 -1.659 14.989 -3.465 1.00 3.12 C ATOM 1402 NE2 HIS A 89 -2.841 14.725 -3.992 1.00 1.50 N ATOM 0 H HIS A 89 -2.405 18.807 -5.117 1.00 33.43 H new ATOM 0 HA HIS A 89 0.221 17.886 -5.342 1.00 65.32 H new ATOM 0 HB2 HIS A 89 -2.273 17.362 -7.002 1.00 22.12 H new ATOM 0 HB3 HIS A 89 -0.786 16.452 -7.181 1.00 22.12 H new ATOM 0 HD1 HIS A 89 -0.082 16.188 -4.110 1.00 2.30 H new ATOM 0 HD2 HIS A 89 -3.816 15.397 -5.838 1.00 21.41 H new ATOM 0 HE1 HIS A 89 -1.280 14.595 -2.534 1.00 3.12 H new ATOM 1411 N GLN A 90 -0.701 19.864 -7.835 1.00 3.03 N ATOM 1412 CA GLN A 90 -0.163 20.585 -8.982 1.00 74.13 C ATOM 1413 C GLN A 90 0.511 21.881 -8.544 1.00 33.31 C ATOM 1414 O GLN A 90 0.558 22.853 -9.298 1.00 15.44 O ATOM 1415 CB GLN A 90 -1.277 20.890 -9.986 1.00 44.21 C ATOM 1416 CG GLN A 90 -0.985 20.383 -11.389 1.00 62.33 C ATOM 1417 CD GLN A 90 0.133 21.150 -12.067 1.00 54.40 C ATOM 1418 OE1 GLN A 90 0.154 22.382 -12.052 1.00 0.13 O ATOM 1419 NE2 GLN A 90 1.070 20.426 -12.668 1.00 21.04 N ATOM 0 H GLN A 90 -1.658 20.118 -7.588 1.00 3.03 H new ATOM 0 HA GLN A 90 0.585 19.952 -9.459 1.00 74.13 H new ATOM 0 HB2 GLN A 90 -2.206 20.443 -9.633 1.00 44.21 H new ATOM 0 HB3 GLN A 90 -1.436 21.968 -10.024 1.00 44.21 H new ATOM 0 HG2 GLN A 90 -0.719 19.327 -11.341 1.00 62.33 H new ATOM 0 HG3 GLN A 90 -1.889 20.457 -11.993 1.00 62.33 H new ATOM 0 HE21 GLN A 90 1.014 19.408 -12.656 1.00 21.04 H new ATOM 0 HE22 GLN A 90 1.846 20.888 -13.142 1.00 21.04 H new ATOM 1428 N ARG A 91 1.032 21.887 -7.321 1.00 15.12 N ATOM 1429 CA ARG A 91 1.702 23.065 -6.782 1.00 64.32 C ATOM 1430 C ARG A 91 0.784 24.282 -6.829 1.00 62.01 C ATOM 1431 O ARG A 91 1.236 25.404 -7.061 1.00 73.41 O ATOM 1432 CB ARG A 91 2.986 23.350 -7.565 1.00 74.42 C ATOM 1433 CG ARG A 91 4.083 23.983 -6.725 1.00 32.45 C ATOM 1434 CD ARG A 91 4.851 25.032 -7.511 1.00 41.21 C ATOM 1435 NE ARG A 91 5.476 26.022 -6.638 1.00 70.03 N ATOM 1436 CZ ARG A 91 6.548 25.774 -5.895 1.00 2.43 C ATOM 1437 NH1 ARG A 91 7.113 24.574 -5.919 1.00 11.52 N ATOM 1438 NH2 ARG A 91 7.059 26.727 -5.125 1.00 50.33 N ATOM 0 H ARG A 91 1.003 21.090 -6.685 1.00 15.12 H new ATOM 0 HA ARG A 91 1.956 22.864 -5.741 1.00 64.32 H new ATOM 0 HB2 ARG A 91 3.357 22.417 -7.989 1.00 74.42 H new ATOM 0 HB3 ARG A 91 2.753 24.010 -8.401 1.00 74.42 H new ATOM 0 HG2 ARG A 91 3.645 24.440 -5.838 1.00 32.45 H new ATOM 0 HG3 ARG A 91 4.770 23.210 -6.380 1.00 32.45 H new ATOM 0 HD2 ARG A 91 5.618 24.544 -8.113 1.00 41.21 H new ATOM 0 HD3 ARG A 91 4.174 25.534 -8.202 1.00 41.21 H new ATOM 0 HE ARG A 91 5.066 26.955 -6.597 1.00 70.03 H new ATOM 0 HH11 ARG A 91 6.724 23.839 -6.509 1.00 11.52 H new ATOM 0 HH12 ARG A 91 7.937 24.387 -5.347 1.00 11.52 H new ATOM 0 HH21 ARG A 91 6.628 27.651 -5.104 1.00 50.33 H new ATOM 0 HH22 ARG A 91 7.883 26.535 -4.555 1.00 50.33 H new ATOM 1452 N ILE A 92 -0.506 24.053 -6.609 1.00 11.23 N ATOM 1453 CA ILE A 92 -1.487 25.131 -6.625 1.00 63.13 C ATOM 1454 C ILE A 92 -1.933 25.490 -5.212 1.00 63.30 C ATOM 1455 O ILE A 92 -2.419 24.638 -4.467 1.00 74.42 O ATOM 1456 CB ILE A 92 -2.724 24.754 -7.461 1.00 45.30 C ATOM 1457 CG1 ILE A 92 -2.297 24.216 -8.829 1.00 21.42 C ATOM 1458 CG2 ILE A 92 -3.641 25.957 -7.622 1.00 51.32 C ATOM 1459 CD1 ILE A 92 -3.447 23.678 -9.652 1.00 10.55 C ATOM 0 H ILE A 92 -0.896 23.130 -6.417 1.00 11.23 H new ATOM 0 HA ILE A 92 -1.000 25.994 -7.080 1.00 63.13 H new ATOM 0 HB ILE A 92 -3.273 23.971 -6.938 1.00 45.30 H new ATOM 0 HG12 ILE A 92 -1.804 25.013 -9.386 1.00 21.42 H new ATOM 0 HG13 ILE A 92 -1.562 23.424 -8.686 1.00 21.42 H new ATOM 0 HG21 ILE A 92 -4.511 25.675 -8.215 1.00 51.32 H new ATOM 0 HG22 ILE A 92 -3.967 26.300 -6.640 1.00 51.32 H new ATOM 0 HG23 ILE A 92 -3.103 26.760 -8.126 1.00 51.32 H new ATOM 0 HD11 ILE A 92 -3.071 23.314 -10.608 1.00 10.55 H new ATOM 0 HD12 ILE A 92 -3.927 22.860 -9.115 1.00 10.55 H new ATOM 0 HD13 ILE A 92 -4.173 24.472 -9.826 1.00 10.55 H new ATOM 1471 N ASP A 93 -1.767 26.757 -4.849 1.00 22.20 N ATOM 1472 CA ASP A 93 -2.155 27.231 -3.526 1.00 20.24 C ATOM 1473 C ASP A 93 -3.356 28.167 -3.614 1.00 2.11 C ATOM 1474 O ASP A 93 -3.321 29.173 -4.324 1.00 61.31 O ATOM 1475 CB ASP A 93 -0.983 27.946 -2.852 1.00 62.12 C ATOM 1476 CG ASP A 93 -1.191 28.122 -1.360 1.00 63.12 C ATOM 1477 OD1 ASP A 93 -2.250 27.694 -0.854 1.00 61.23 O ATOM 1478 OD2 ASP A 93 -0.294 28.686 -0.700 1.00 34.23 O ATOM 0 H ASP A 93 -1.366 27.475 -5.453 1.00 22.20 H new ATOM 0 HA ASP A 93 -2.435 26.366 -2.926 1.00 20.24 H new ATOM 0 HB2 ASP A 93 -0.068 27.379 -3.024 1.00 62.12 H new ATOM 0 HB3 ASP A 93 -0.844 28.923 -3.314 1.00 62.12 H new ATOM 1483 N VAL A 94 -4.417 27.831 -2.888 1.00 41.20 N ATOM 1484 CA VAL A 94 -5.629 28.642 -2.885 1.00 0.21 C ATOM 1485 C VAL A 94 -5.826 29.331 -1.539 1.00 25.24 C ATOM 1486 O VAL A 94 -5.450 28.797 -0.495 1.00 61.11 O ATOM 1487 CB VAL A 94 -6.874 27.791 -3.200 1.00 3.32 C ATOM 1488 CG1 VAL A 94 -6.711 27.081 -4.535 1.00 73.31 C ATOM 1489 CG2 VAL A 94 -7.133 26.792 -2.083 1.00 12.53 C ATOM 0 H VAL A 94 -4.462 27.003 -2.294 1.00 41.20 H new ATOM 0 HA VAL A 94 -5.507 29.397 -3.662 1.00 0.21 H new ATOM 0 HB VAL A 94 -7.737 28.453 -3.271 1.00 3.32 H new ATOM 0 HG11 VAL A 94 -7.600 26.485 -4.741 1.00 73.31 H new ATOM 0 HG12 VAL A 94 -6.578 27.819 -5.326 1.00 73.31 H new ATOM 0 HG13 VAL A 94 -5.838 26.429 -4.496 1.00 73.31 H new ATOM 0 HG21 VAL A 94 -8.016 26.199 -2.322 1.00 12.53 H new ATOM 0 HG22 VAL A 94 -6.271 26.133 -1.977 1.00 12.53 H new ATOM 0 HG23 VAL A 94 -7.297 27.327 -1.148 1.00 12.53 H new ATOM 1499 N LYS A 95 -6.417 30.520 -1.571 1.00 22.10 N ATOM 1500 CA LYS A 95 -6.666 31.284 -0.354 1.00 2.10 C ATOM 1501 C LYS A 95 -7.727 30.605 0.507 1.00 0.22 C ATOM 1502 O LYS A 95 -7.775 30.803 1.721 1.00 43.21 O ATOM 1503 CB LYS A 95 -7.109 32.707 -0.701 1.00 64.21 C ATOM 1504 CG LYS A 95 -6.442 33.776 0.147 1.00 24.02 C ATOM 1505 CD LYS A 95 -6.802 35.172 -0.331 1.00 15.42 C ATOM 1506 CE LYS A 95 -8.013 35.720 0.410 1.00 24.23 C ATOM 1507 NZ LYS A 95 -9.290 35.314 -0.238 1.00 14.41 N ATOM 0 H LYS A 95 -6.733 30.976 -2.427 1.00 22.10 H new ATOM 0 HA LYS A 95 -5.736 31.328 0.213 1.00 2.10 H new ATOM 0 HB2 LYS A 95 -6.891 32.900 -1.751 1.00 64.21 H new ATOM 0 HB3 LYS A 95 -8.190 32.782 -0.581 1.00 64.21 H new ATOM 0 HG2 LYS A 95 -6.744 33.657 1.187 1.00 24.02 H new ATOM 0 HG3 LYS A 95 -5.360 33.646 0.113 1.00 24.02 H new ATOM 0 HD2 LYS A 95 -5.952 35.838 -0.184 1.00 15.42 H new ATOM 0 HD3 LYS A 95 -7.008 35.149 -1.401 1.00 15.42 H new ATOM 0 HE2 LYS A 95 -8.000 35.365 1.440 1.00 24.23 H new ATOM 0 HE3 LYS A 95 -7.954 36.808 0.447 1.00 24.23 H new ATOM 0 HZ1 LYS A 95 -10.045 35.974 0.038 1.00 14.41 H new ATOM 0 HZ2 LYS A 95 -9.176 35.332 -1.272 1.00 14.41 H new ATOM 0 HZ3 LYS A 95 -9.543 34.352 0.066 1.00 14.41 H new ATOM 1521 N ASP A 96 -8.575 29.805 -0.130 1.00 24.21 N ATOM 1522 CA ASP A 96 -9.633 29.095 0.578 1.00 34.41 C ATOM 1523 C ASP A 96 -10.284 28.050 -0.323 1.00 31.10 C ATOM 1524 O ASP A 96 -10.031 28.008 -1.528 1.00 23.11 O ATOM 1525 CB ASP A 96 -10.689 30.080 1.081 1.00 11.55 C ATOM 1526 CG ASP A 96 -10.853 31.274 0.161 1.00 63.44 C ATOM 1527 OD1 ASP A 96 -11.429 31.104 -0.934 1.00 43.45 O ATOM 1528 OD2 ASP A 96 -10.404 32.377 0.535 1.00 14.22 O ATOM 0 H ASP A 96 -8.550 29.632 -1.135 1.00 24.21 H new ATOM 0 HA ASP A 96 -9.186 28.585 1.432 1.00 34.41 H new ATOM 0 HB2 ASP A 96 -11.645 29.565 1.177 1.00 11.55 H new ATOM 0 HB3 ASP A 96 -10.412 30.427 2.076 1.00 11.55 H new ATOM 1533 N THR A 97 -11.123 27.204 0.269 1.00 43.52 N ATOM 1534 CA THR A 97 -11.807 26.157 -0.479 1.00 4.50 C ATOM 1535 C THR A 97 -12.704 26.751 -1.559 1.00 73.14 C ATOM 1536 O THR A 97 -13.134 26.052 -2.478 1.00 4.23 O ATOM 1537 CB THR A 97 -12.657 25.269 0.448 1.00 10.52 C ATOM 1538 OG1 THR A 97 -11.846 24.747 1.507 1.00 42.43 O ATOM 1539 CG2 THR A 97 -13.285 24.122 -0.329 1.00 71.33 C ATOM 0 H THR A 97 -11.344 27.224 1.264 1.00 43.52 H new ATOM 0 HA THR A 97 -11.035 25.546 -0.947 1.00 4.50 H new ATOM 0 HB THR A 97 -13.454 25.881 0.870 1.00 10.52 H new ATOM 0 HG1 THR A 97 -11.380 25.483 1.955 1.00 42.43 H new ATOM 0 HG21 THR A 97 -13.881 23.508 0.346 1.00 71.33 H new ATOM 0 HG22 THR A 97 -13.925 24.522 -1.115 1.00 71.33 H new ATOM 0 HG23 THR A 97 -12.500 23.512 -0.776 1.00 71.33 H new ATOM 1547 N LYS A 98 -12.984 28.044 -1.444 1.00 53.33 N ATOM 1548 CA LYS A 98 -13.829 28.734 -2.413 1.00 10.44 C ATOM 1549 C LYS A 98 -13.053 29.047 -3.688 1.00 1.23 C ATOM 1550 O LYS A 98 -13.432 28.617 -4.777 1.00 11.24 O ATOM 1551 CB LYS A 98 -14.381 30.027 -1.808 1.00 62.13 C ATOM 1552 CG LYS A 98 -15.436 30.700 -2.670 1.00 23.30 C ATOM 1553 CD LYS A 98 -16.641 31.124 -1.848 1.00 71.22 C ATOM 1554 CE LYS A 98 -17.707 31.776 -2.716 1.00 4.44 C ATOM 1555 NZ LYS A 98 -17.746 33.253 -2.527 1.00 12.42 N ATOM 0 H LYS A 98 -12.638 28.637 -0.689 1.00 53.33 H new ATOM 0 HA LYS A 98 -14.659 28.075 -2.668 1.00 10.44 H new ATOM 0 HB2 LYS A 98 -14.809 29.807 -0.830 1.00 62.13 H new ATOM 0 HB3 LYS A 98 -13.558 30.723 -1.646 1.00 62.13 H new ATOM 0 HG2 LYS A 98 -15.004 31.572 -3.160 1.00 23.30 H new ATOM 0 HG3 LYS A 98 -15.754 30.017 -3.457 1.00 23.30 H new ATOM 0 HD2 LYS A 98 -17.063 30.255 -1.344 1.00 71.22 H new ATOM 0 HD3 LYS A 98 -16.326 31.821 -1.072 1.00 71.22 H new ATOM 0 HE2 LYS A 98 -17.512 31.549 -3.764 1.00 4.44 H new ATOM 0 HE3 LYS A 98 -18.682 31.353 -2.474 1.00 4.44 H new ATOM 0 HZ1 LYS A 98 -18.484 33.661 -3.135 1.00 12.42 H new ATOM 0 HZ2 LYS A 98 -17.957 33.470 -1.532 1.00 12.42 H new ATOM 0 HZ3 LYS A 98 -16.824 33.660 -2.782 1.00 12.42 H new ATOM 1569 N GLU A 99 -11.964 29.795 -3.543 1.00 43.44 N ATOM 1570 CA GLU A 99 -11.134 30.165 -4.685 1.00 33.13 C ATOM 1571 C GLU A 99 -10.579 28.923 -5.376 1.00 44.04 C ATOM 1572 O GLU A 99 -10.145 28.983 -6.527 1.00 13.32 O ATOM 1573 CB GLU A 99 -9.986 31.070 -4.237 1.00 44.11 C ATOM 1574 CG GLU A 99 -10.123 32.507 -4.710 1.00 62.11 C ATOM 1575 CD GLU A 99 -10.184 32.621 -6.221 1.00 22.25 C ATOM 1576 OE1 GLU A 99 -9.114 32.572 -6.864 1.00 1.44 O ATOM 1577 OE2 GLU A 99 -11.301 32.758 -6.760 1.00 32.21 O ATOM 0 H GLU A 99 -11.636 30.157 -2.648 1.00 43.44 H new ATOM 0 HA GLU A 99 -11.757 30.708 -5.396 1.00 33.13 H new ATOM 0 HB2 GLU A 99 -9.929 31.059 -3.149 1.00 44.11 H new ATOM 0 HB3 GLU A 99 -9.046 30.662 -4.609 1.00 44.11 H new ATOM 0 HG2 GLU A 99 -11.025 32.943 -4.280 1.00 62.11 H new ATOM 0 HG3 GLU A 99 -9.280 33.089 -4.339 1.00 62.11 H new ATOM 1584 N ALA A 100 -10.595 27.800 -4.667 1.00 30.42 N ATOM 1585 CA ALA A 100 -10.094 26.545 -5.212 1.00 74.11 C ATOM 1586 C ALA A 100 -11.065 25.965 -6.235 1.00 64.30 C ATOM 1587 O ALA A 100 -10.655 25.303 -7.190 1.00 24.41 O ATOM 1588 CB ALA A 100 -9.845 25.545 -4.092 1.00 41.11 C ATOM 0 H ALA A 100 -10.950 27.734 -3.713 1.00 30.42 H new ATOM 0 HA ALA A 100 -9.151 26.748 -5.719 1.00 74.11 H new ATOM 0 HB1 ALA A 100 -9.471 24.612 -4.514 1.00 41.11 H new ATOM 0 HB2 ALA A 100 -9.108 25.951 -3.399 1.00 41.11 H new ATOM 0 HB3 ALA A 100 -10.777 25.355 -3.560 1.00 41.11 H new ATOM 1594 N LEU A 101 -12.353 26.217 -6.031 1.00 54.00 N ATOM 1595 CA LEU A 101 -13.384 25.718 -6.936 1.00 4.23 C ATOM 1596 C LEU A 101 -13.560 26.655 -8.127 1.00 62.45 C ATOM 1597 O LEU A 101 -13.930 26.223 -9.219 1.00 31.21 O ATOM 1598 CB LEU A 101 -14.712 25.565 -6.193 1.00 23.34 C ATOM 1599 CG LEU A 101 -15.483 24.270 -6.457 1.00 45.52 C ATOM 1600 CD1 LEU A 101 -15.805 24.135 -7.937 1.00 43.10 C ATOM 1601 CD2 LEU A 101 -14.688 23.068 -5.970 1.00 31.11 C ATOM 0 H LEU A 101 -12.709 26.764 -5.247 1.00 54.00 H new ATOM 0 HA LEU A 101 -13.068 24.743 -7.306 1.00 4.23 H new ATOM 0 HB2 LEU A 101 -14.517 25.637 -5.123 1.00 23.34 H new ATOM 0 HB3 LEU A 101 -15.353 26.406 -6.458 1.00 23.34 H new ATOM 0 HG LEU A 101 -16.421 24.308 -5.904 1.00 45.52 H new ATOM 0 HD11 LEU A 101 -16.353 23.208 -8.107 1.00 43.10 H new ATOM 0 HD12 LEU A 101 -16.414 24.981 -8.255 1.00 43.10 H new ATOM 0 HD13 LEU A 101 -14.878 24.119 -8.511 1.00 43.10 H new ATOM 0 HD21 LEU A 101 -15.251 22.156 -6.166 1.00 31.11 H new ATOM 0 HD22 LEU A 101 -13.734 23.025 -6.496 1.00 31.11 H new ATOM 0 HD23 LEU A 101 -14.508 23.161 -4.899 1.00 31.11 H new ATOM 1613 N ASP A 102 -13.290 27.937 -7.910 1.00 52.02 N ATOM 1614 CA ASP A 102 -13.416 28.933 -8.967 1.00 40.44 C ATOM 1615 C ASP A 102 -12.183 28.932 -9.865 1.00 42.25 C ATOM 1616 O ASP A 102 -12.255 29.304 -11.037 1.00 3.32 O ATOM 1617 CB ASP A 102 -13.621 30.325 -8.364 1.00 21.00 C ATOM 1618 CG ASP A 102 -13.902 31.377 -9.419 1.00 2.34 C ATOM 1619 OD1 ASP A 102 -14.191 30.998 -10.573 1.00 44.33 O ATOM 1620 OD2 ASP A 102 -13.836 32.579 -9.089 1.00 3.23 O ATOM 0 H ASP A 102 -12.983 28.311 -7.012 1.00 52.02 H new ATOM 0 HA ASP A 102 -14.285 28.676 -9.573 1.00 40.44 H new ATOM 0 HB2 ASP A 102 -14.450 30.293 -7.657 1.00 21.00 H new ATOM 0 HB3 ASP A 102 -12.732 30.608 -7.800 1.00 21.00 H new ATOM 1625 N LYS A 103 -11.053 28.510 -9.310 1.00 3.54 N ATOM 1626 CA LYS A 103 -9.803 28.459 -10.059 1.00 71.52 C ATOM 1627 C LYS A 103 -9.724 27.188 -10.898 1.00 42.03 C ATOM 1628 O LYS A 103 -9.169 27.192 -11.997 1.00 61.45 O ATOM 1629 CB LYS A 103 -8.608 28.528 -9.104 1.00 55.43 C ATOM 1630 CG LYS A 103 -8.173 29.946 -8.777 1.00 34.02 C ATOM 1631 CD LYS A 103 -6.667 30.039 -8.595 1.00 74.22 C ATOM 1632 CE LYS A 103 -6.151 31.432 -8.920 1.00 34.44 C ATOM 1633 NZ LYS A 103 -6.503 32.415 -7.858 1.00 42.22 N ATOM 0 H LYS A 103 -10.977 28.198 -8.342 1.00 3.54 H new ATOM 0 HA LYS A 103 -9.774 29.318 -10.729 1.00 71.52 H new ATOM 0 HB2 LYS A 103 -8.863 28.012 -8.178 1.00 55.43 H new ATOM 0 HB3 LYS A 103 -7.768 27.992 -9.546 1.00 55.43 H new ATOM 0 HG2 LYS A 103 -8.486 30.617 -9.577 1.00 34.02 H new ATOM 0 HG3 LYS A 103 -8.672 30.280 -7.867 1.00 34.02 H new ATOM 0 HD2 LYS A 103 -6.407 29.784 -7.567 1.00 74.22 H new ATOM 0 HD3 LYS A 103 -6.176 29.309 -9.238 1.00 74.22 H new ATOM 0 HE2 LYS A 103 -5.068 31.399 -9.040 1.00 34.44 H new ATOM 0 HE3 LYS A 103 -6.568 31.761 -9.872 1.00 34.44 H new ATOM 0 HZ1 LYS A 103 -6.318 33.379 -8.202 1.00 42.22 H new ATOM 0 HZ2 LYS A 103 -7.510 32.320 -7.618 1.00 42.22 H new ATOM 0 HZ3 LYS A 103 -5.927 32.233 -7.012 1.00 42.22 H new