USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 602 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 HIS : no HE2:sc= 0.469 K(o=0.47,f=-1.8) USER MOD Set 2.1: A 9 THR OG1 : rot 66:sc= 1.24 USER MOD Set 2.2: A 49 SER OG : rot -16:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot -25:sc= 0.419 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.22 K(o=1.2,f=-1) USER MOD Single : A 16 GLN : amide:sc=-0.00772 X(o=-0.0077,f=-0.0029) USER MOD Single : A 17 THR OG1 : rot 160:sc= 0.888 USER MOD Single : A 18 TYR OH : rot -57:sc= 0.0772 USER MOD Single : A 20 ASN : amide:sc= -0.0158 K(o=-0.016,f=-3.3!) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0104) USER MOD Single : A 23 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.041) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= -0.0303 (180deg=-0.11) USER MOD Single : A 27 THR OG1 : rot -122:sc= 1.12 USER MOD Single : A 29 ASN : amide:sc= 0.555 K(o=0.55,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= 0.477 (180deg=0.358) USER MOD Single : A 34 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 35 THR OG1 : rot 42:sc= 1.2 USER MOD Single : A 37 ASN : amide:sc= -0.0651 X(o=-0.065,f=-0.065) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.17) USER MOD Single : A 57 MET CE :methyl 174:sc= -0.412 (180deg=-0.502) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 170:sc= 0.0374 USER MOD Single : A 64 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.31) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.123 X(o=0.12,f=-0.1) USER MOD Single : A 94 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.035) USER MOD Single : A 99 GLN : amide:sc= 0.242 K(o=0.24,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -0.481 17.791 0.351 1.00 41.13 N ATOM 83 CA THR A 8 -0.680 16.468 -0.241 1.00 71.30 C ATOM 84 C THR A 8 -0.628 15.364 0.812 1.00 73.54 C ATOM 85 O THR A 8 -0.140 15.564 1.933 1.00 54.21 O ATOM 86 CB THR A 8 0.357 16.229 -1.360 1.00 51.22 C ATOM 87 OG1 THR A 8 1.610 16.837 -1.064 1.00 40.40 O ATOM 88 CG2 THR A 8 -0.160 16.820 -2.670 1.00 23.41 C ATOM 0 HA THR A 8 -1.678 16.437 -0.679 1.00 71.30 H new ATOM 0 HB THR A 8 0.502 15.152 -1.443 1.00 51.22 H new ATOM 0 HG1 THR A 8 1.473 17.584 -0.445 1.00 40.40 H new ATOM 0 HG21 THR A 8 0.572 16.651 -3.459 1.00 23.41 H new ATOM 0 HG22 THR A 8 -1.101 16.340 -2.939 1.00 23.41 H new ATOM 0 HG23 THR A 8 -0.321 17.891 -2.548 1.00 23.41 H new ATOM 96 N THR A 9 -1.122 14.187 0.430 1.00 55.11 N ATOM 97 CA THR A 9 -0.988 12.968 1.201 1.00 31.22 C ATOM 98 C THR A 9 0.340 12.270 0.923 1.00 53.12 C ATOM 99 O THR A 9 1.002 12.544 -0.086 1.00 42.04 O ATOM 100 CB THR A 9 -2.187 12.056 0.889 1.00 44.13 C ATOM 101 OG1 THR A 9 -2.663 12.146 -0.439 1.00 61.21 O ATOM 102 CG2 THR A 9 -3.328 12.438 1.804 1.00 64.23 C ATOM 0 H THR A 9 -1.635 14.060 -0.442 1.00 55.11 H new ATOM 0 HA THR A 9 -0.986 13.210 2.264 1.00 31.22 H new ATOM 0 HB THR A 9 -1.836 11.035 1.037 1.00 44.13 H new ATOM 0 HG1 THR A 9 -1.979 11.809 -1.055 1.00 61.21 H new ATOM 0 HG21 THR A 9 -4.189 11.802 1.598 1.00 64.23 H new ATOM 0 HG22 THR A 9 -3.021 12.308 2.842 1.00 64.23 H new ATOM 0 HG23 THR A 9 -3.598 13.480 1.633 1.00 64.23 H new ATOM 110 N THR A 10 0.671 11.271 1.746 1.00 13.01 N ATOM 111 CA THR A 10 1.828 10.411 1.523 1.00 22.32 C ATOM 112 C THR A 10 1.409 8.944 1.696 1.00 1.22 C ATOM 113 O THR A 10 0.356 8.656 2.279 1.00 31.21 O ATOM 114 CB THR A 10 2.973 10.837 2.469 1.00 20.44 C ATOM 115 OG1 THR A 10 3.077 12.252 2.536 1.00 43.22 O ATOM 116 CG2 THR A 10 4.351 10.264 2.105 1.00 4.42 C ATOM 0 H THR A 10 0.141 11.039 2.586 1.00 13.01 H new ATOM 0 HA THR A 10 2.205 10.516 0.506 1.00 22.32 H new ATOM 0 HB THR A 10 2.696 10.418 3.436 1.00 20.44 H new ATOM 0 HG1 THR A 10 3.807 12.498 3.142 1.00 43.22 H new ATOM 0 HG21 THR A 10 5.092 10.616 2.822 1.00 4.42 H new ATOM 0 HG22 THR A 10 4.310 9.175 2.130 1.00 4.42 H new ATOM 0 HG23 THR A 10 4.630 10.594 1.104 1.00 4.42 H new ATOM 124 N ILE A 11 2.189 8.008 1.161 1.00 12.42 N ATOM 125 CA ILE A 11 1.954 6.571 1.188 1.00 34.11 C ATOM 126 C ILE A 11 3.253 5.929 1.698 1.00 74.41 C ATOM 127 O ILE A 11 4.340 6.460 1.465 1.00 3.44 O ATOM 128 CB ILE A 11 1.551 6.074 -0.227 1.00 42.10 C ATOM 129 CG1 ILE A 11 0.280 6.774 -0.762 1.00 21.13 C ATOM 130 CG2 ILE A 11 1.296 4.556 -0.216 1.00 20.42 C ATOM 131 CD1 ILE A 11 0.022 6.586 -2.262 1.00 60.51 C ATOM 0 H ILE A 11 3.050 8.248 0.670 1.00 12.42 H new ATOM 0 HA ILE A 11 1.130 6.297 1.847 1.00 34.11 H new ATOM 0 HB ILE A 11 2.386 6.319 -0.883 1.00 42.10 H new ATOM 0 HG12 ILE A 11 -0.583 6.400 -0.210 1.00 21.13 H new ATOM 0 HG13 ILE A 11 0.355 7.841 -0.552 1.00 21.13 H new ATOM 0 HG21 ILE A 11 1.015 4.227 -1.216 1.00 20.42 H new ATOM 0 HG22 ILE A 11 2.203 4.037 0.095 1.00 20.42 H new ATOM 0 HG23 ILE A 11 0.490 4.328 0.481 1.00 20.42 H new ATOM 0 HD11 ILE A 11 -0.890 7.113 -2.543 1.00 60.51 H new ATOM 0 HD12 ILE A 11 0.862 6.987 -2.829 1.00 60.51 H new ATOM 0 HD13 ILE A 11 -0.090 5.524 -2.482 1.00 60.51 H new ATOM 142 N ARG A 12 3.156 4.766 2.351 1.00 74.14 N ATOM 143 CA ARG A 12 4.309 3.928 2.673 1.00 33.23 C ATOM 144 C ARG A 12 3.904 2.472 2.520 1.00 15.32 C ATOM 145 O ARG A 12 2.858 2.066 3.026 1.00 23.12 O ATOM 146 CB ARG A 12 4.876 4.230 4.078 1.00 64.54 C ATOM 147 CG ARG A 12 6.269 3.593 4.296 1.00 61.34 C ATOM 148 CD ARG A 12 6.480 2.966 5.674 1.00 43.42 C ATOM 149 NE ARG A 12 6.742 3.922 6.756 1.00 30.44 N ATOM 150 CZ ARG A 12 6.800 3.615 8.059 1.00 50.25 C ATOM 151 NH1 ARG A 12 6.462 2.401 8.483 1.00 3.01 N ATOM 152 NH2 ARG A 12 7.185 4.521 8.945 1.00 42.22 N ATOM 0 H ARG A 12 2.268 4.380 2.672 1.00 74.14 H new ATOM 0 HA ARG A 12 5.120 4.151 1.980 1.00 33.23 H new ATOM 0 HB2 ARG A 12 4.946 5.309 4.215 1.00 64.54 H new ATOM 0 HB3 ARG A 12 4.185 3.857 4.834 1.00 64.54 H new ATOM 0 HG2 ARG A 12 6.425 2.827 3.536 1.00 61.34 H new ATOM 0 HG3 ARG A 12 7.031 4.357 4.140 1.00 61.34 H new ATOM 0 HD2 ARG A 12 5.596 2.383 5.931 1.00 43.42 H new ATOM 0 HD3 ARG A 12 7.316 2.269 5.615 1.00 43.42 H new ATOM 0 HE ARG A 12 6.892 4.897 6.496 1.00 30.44 H new ATOM 0 HH11 ARG A 12 6.155 1.694 7.814 1.00 3.01 H new ATOM 0 HH12 ARG A 12 6.509 2.176 9.477 1.00 3.01 H new ATOM 0 HH21 ARG A 12 7.440 5.459 8.637 1.00 42.22 H new ATOM 0 HH22 ARG A 12 7.227 4.280 9.935 1.00 42.22 H new ATOM 163 N LEU A 13 4.717 1.691 1.824 1.00 31.34 N ATOM 164 CA LEU A 13 4.551 0.247 1.672 1.00 12.02 C ATOM 165 C LEU A 13 5.550 -0.421 2.609 1.00 3.32 C ATOM 166 O LEU A 13 6.710 -0.006 2.644 1.00 61.42 O ATOM 167 CB LEU A 13 4.811 -0.157 0.202 1.00 3.41 C ATOM 168 CG LEU A 13 3.683 0.109 -0.826 1.00 23.44 C ATOM 169 CD1 LEU A 13 2.798 -1.120 -1.039 1.00 42.14 C ATOM 170 CD2 LEU A 13 2.784 1.297 -0.476 1.00 24.40 C ATOM 0 H LEU A 13 5.535 2.052 1.334 1.00 31.34 H new ATOM 0 HA LEU A 13 3.537 -0.065 1.923 1.00 12.02 H new ATOM 0 HB2 LEU A 13 5.705 0.367 -0.137 1.00 3.41 H new ATOM 0 HB3 LEU A 13 5.039 -1.223 0.182 1.00 3.41 H new ATOM 0 HG LEU A 13 4.217 0.352 -1.745 1.00 23.44 H new ATOM 0 HD11 LEU A 13 2.021 -0.887 -1.767 1.00 42.14 H new ATOM 0 HD12 LEU A 13 3.406 -1.946 -1.408 1.00 42.14 H new ATOM 0 HD13 LEU A 13 2.336 -1.404 -0.094 1.00 42.14 H new ATOM 0 HD21 LEU A 13 2.021 1.415 -1.245 1.00 24.40 H new ATOM 0 HD22 LEU A 13 2.304 1.119 0.486 1.00 24.40 H new ATOM 0 HD23 LEU A 13 3.386 2.204 -0.419 1.00 24.40 H new ATOM 181 N ILE A 14 5.119 -1.436 3.361 1.00 42.25 N ATOM 182 CA ILE A 14 5.933 -2.183 4.307 1.00 60.34 C ATOM 183 C ILE A 14 5.730 -3.670 4.009 1.00 40.33 C ATOM 184 O ILE A 14 4.591 -4.143 3.939 1.00 1.03 O ATOM 185 CB ILE A 14 5.539 -1.843 5.759 1.00 2.32 C ATOM 186 CG1 ILE A 14 5.420 -0.334 6.062 1.00 21.53 C ATOM 187 CG2 ILE A 14 6.600 -2.401 6.716 1.00 53.22 C ATOM 188 CD1 ILE A 14 4.069 0.306 5.719 1.00 2.21 C ATOM 0 H ILE A 14 4.156 -1.769 3.322 1.00 42.25 H new ATOM 0 HA ILE A 14 6.985 -1.919 4.200 1.00 60.34 H new ATOM 0 HB ILE A 14 4.554 -2.288 5.896 1.00 2.32 H new ATOM 0 HG12 ILE A 14 5.617 -0.178 7.123 1.00 21.53 H new ATOM 0 HG13 ILE A 14 6.201 0.191 5.512 1.00 21.53 H new ATOM 0 HG21 ILE A 14 6.325 -2.163 7.743 1.00 53.22 H new ATOM 0 HG22 ILE A 14 6.663 -3.483 6.599 1.00 53.22 H new ATOM 0 HG23 ILE A 14 7.568 -1.955 6.487 1.00 53.22 H new ATOM 0 HD11 ILE A 14 4.094 1.366 5.971 1.00 2.21 H new ATOM 0 HD12 ILE A 14 3.872 0.191 4.653 1.00 2.21 H new ATOM 0 HD13 ILE A 14 3.279 -0.184 6.289 1.00 2.21 H new ATOM 199 N ASN A 15 6.831 -4.397 3.813 1.00 34.23 N ATOM 200 CA ASN A 15 6.826 -5.780 3.350 1.00 20.30 C ATOM 201 C ASN A 15 7.059 -6.731 4.522 1.00 33.20 C ATOM 202 O ASN A 15 8.134 -7.312 4.649 1.00 11.40 O ATOM 203 CB ASN A 15 7.880 -5.958 2.247 1.00 33.51 C ATOM 204 CG ASN A 15 7.616 -7.214 1.425 1.00 41.31 C ATOM 205 OD1 ASN A 15 6.483 -7.524 1.070 1.00 2.03 O ATOM 206 ND2 ASN A 15 8.661 -7.942 1.092 1.00 55.35 N ATOM 0 H ASN A 15 7.769 -4.031 3.976 1.00 34.23 H new ATOM 0 HA ASN A 15 5.852 -6.023 2.926 1.00 20.30 H new ATOM 0 HB2 ASN A 15 7.876 -5.086 1.593 1.00 33.51 H new ATOM 0 HB3 ASN A 15 8.872 -6.016 2.695 1.00 33.51 H new ATOM 0 HD21 ASN A 15 8.538 -8.783 0.528 1.00 55.35 H new ATOM 0 HD22 ASN A 15 9.594 -7.665 1.398 1.00 55.35 H new ATOM 212 N GLN A 16 6.102 -6.828 5.447 1.00 34.33 N ATOM 213 CA GLN A 16 6.279 -7.468 6.757 1.00 42.32 C ATOM 214 C GLN A 16 6.087 -8.988 6.653 1.00 72.32 C ATOM 215 O GLN A 16 5.335 -9.589 7.428 1.00 2.03 O ATOM 216 CB GLN A 16 5.354 -6.815 7.809 1.00 41.14 C ATOM 217 CG GLN A 16 5.497 -5.283 7.828 1.00 1.13 C ATOM 218 CD GLN A 16 4.668 -4.575 8.889 1.00 44.04 C ATOM 219 OE1 GLN A 16 5.155 -3.713 9.623 1.00 53.32 O ATOM 220 NE2 GLN A 16 3.382 -4.847 8.928 1.00 15.40 N ATOM 0 H GLN A 16 5.162 -6.457 5.306 1.00 34.33 H new ATOM 0 HA GLN A 16 7.303 -7.308 7.095 1.00 42.32 H new ATOM 0 HB2 GLN A 16 4.318 -7.080 7.596 1.00 41.14 H new ATOM 0 HB3 GLN A 16 5.589 -7.214 8.796 1.00 41.14 H new ATOM 0 HG2 GLN A 16 6.547 -5.033 7.981 1.00 1.13 H new ATOM 0 HG3 GLN A 16 5.216 -4.894 6.849 1.00 1.13 H new ATOM 0 HE21 GLN A 16 2.993 -5.563 8.314 1.00 15.40 H new ATOM 0 HE22 GLN A 16 2.773 -4.342 9.572 1.00 15.40 H new ATOM 227 N THR A 17 6.746 -9.608 5.675 1.00 35.30 N ATOM 228 CA THR A 17 6.512 -10.968 5.229 1.00 64.55 C ATOM 229 C THR A 17 7.822 -11.747 5.094 1.00 75.35 C ATOM 230 O THR A 17 8.928 -11.211 5.234 1.00 2.33 O ATOM 231 CB THR A 17 5.744 -10.933 3.898 1.00 73.35 C ATOM 232 OG1 THR A 17 6.300 -9.960 3.033 1.00 4.00 O ATOM 233 CG2 THR A 17 4.269 -10.625 4.133 1.00 71.14 C ATOM 0 H THR A 17 7.491 -9.148 5.152 1.00 35.30 H new ATOM 0 HA THR A 17 5.914 -11.490 5.976 1.00 64.55 H new ATOM 0 HB THR A 17 5.829 -11.916 3.434 1.00 73.35 H new ATOM 0 HG1 THR A 17 6.040 -10.157 2.109 1.00 4.00 H new ATOM 0 HG21 THR A 17 3.745 -10.605 3.178 1.00 71.14 H new ATOM 0 HG22 THR A 17 3.834 -11.395 4.770 1.00 71.14 H new ATOM 0 HG23 THR A 17 4.173 -9.654 4.620 1.00 71.14 H new ATOM 241 N TYR A 18 7.685 -13.031 4.775 1.00 63.15 N ATOM 242 CA TYR A 18 8.782 -13.969 4.558 1.00 41.32 C ATOM 243 C TYR A 18 9.165 -14.118 3.074 1.00 55.34 C ATOM 244 O TYR A 18 9.650 -15.174 2.670 1.00 24.22 O ATOM 245 CB TYR A 18 8.492 -15.296 5.291 1.00 73.23 C ATOM 246 CG TYR A 18 7.190 -16.042 5.037 1.00 32.10 C ATOM 247 CD1 TYR A 18 6.575 -16.058 3.768 1.00 23.21 C ATOM 248 CD2 TYR A 18 6.625 -16.796 6.086 1.00 31.24 C ATOM 249 CE1 TYR A 18 5.380 -16.769 3.568 1.00 42.13 C ATOM 250 CE2 TYR A 18 5.458 -17.550 5.877 1.00 4.41 C ATOM 251 CZ TYR A 18 4.818 -17.525 4.617 1.00 60.44 C ATOM 252 OH TYR A 18 3.648 -18.202 4.439 1.00 54.24 O ATOM 0 H TYR A 18 6.769 -13.464 4.656 1.00 63.15 H new ATOM 0 HA TYR A 18 9.688 -13.558 5.004 1.00 41.32 H new ATOM 0 HB2 TYR A 18 9.308 -15.980 5.056 1.00 73.23 H new ATOM 0 HB3 TYR A 18 8.545 -15.093 6.361 1.00 73.23 H new ATOM 0 HD1 TYR A 18 7.025 -15.521 2.946 1.00 23.21 H new ATOM 0 HD2 TYR A 18 7.094 -16.794 7.059 1.00 31.24 H new ATOM 0 HE1 TYR A 18 4.890 -16.736 2.606 1.00 42.13 H new ATOM 0 HE2 TYR A 18 5.050 -18.148 6.678 1.00 4.41 H new ATOM 0 HH TYR A 18 2.949 -17.578 4.153 1.00 54.24 H new ATOM 261 N PHE A 19 8.931 -13.106 2.229 1.00 35.31 N ATOM 262 CA PHE A 19 9.309 -13.156 0.818 1.00 61.45 C ATOM 263 C PHE A 19 9.770 -11.793 0.302 1.00 21.40 C ATOM 264 O PHE A 19 9.525 -10.755 0.918 1.00 64.54 O ATOM 265 CB PHE A 19 8.141 -13.700 -0.025 1.00 22.41 C ATOM 266 CG PHE A 19 6.850 -12.924 0.157 1.00 53.03 C ATOM 267 CD1 PHE A 19 6.732 -11.623 -0.359 1.00 75.14 C ATOM 268 CD2 PHE A 19 5.805 -13.452 0.934 1.00 44.34 C ATOM 269 CE1 PHE A 19 5.597 -10.849 -0.086 1.00 55.03 C ATOM 270 CE2 PHE A 19 4.668 -12.678 1.203 1.00 73.24 C ATOM 271 CZ PHE A 19 4.557 -11.380 0.684 1.00 64.24 C ATOM 0 H PHE A 19 8.477 -12.236 2.506 1.00 35.31 H new ATOM 0 HA PHE A 19 10.157 -13.834 0.723 1.00 61.45 H new ATOM 0 HB2 PHE A 19 8.423 -13.679 -1.078 1.00 22.41 H new ATOM 0 HB3 PHE A 19 7.969 -14.744 0.238 1.00 22.41 H new ATOM 0 HD1 PHE A 19 7.523 -11.216 -0.971 1.00 75.14 H new ATOM 0 HD2 PHE A 19 5.878 -14.456 1.325 1.00 44.34 H new ATOM 0 HE1 PHE A 19 5.525 -9.842 -0.470 1.00 55.03 H new ATOM 0 HE2 PHE A 19 3.874 -13.083 1.813 1.00 73.24 H new ATOM 0 HZ PHE A 19 3.672 -10.793 0.878 1.00 64.24 H new ATOM 280 N ASN A 20 10.362 -11.797 -0.894 1.00 14.44 N ATOM 281 CA ASN A 20 10.665 -10.595 -1.682 1.00 21.13 C ATOM 282 C ASN A 20 9.523 -10.315 -2.669 1.00 20.30 C ATOM 283 O ASN A 20 8.913 -11.262 -3.179 1.00 42.34 O ATOM 284 CB ASN A 20 11.986 -10.831 -2.435 1.00 23.14 C ATOM 285 CG ASN A 20 12.309 -9.724 -3.427 1.00 72.41 C ATOM 286 OD1 ASN A 20 12.648 -8.621 -3.042 1.00 75.53 O ATOM 287 ND2 ASN A 20 12.204 -9.971 -4.723 1.00 54.33 N ATOM 0 H ASN A 20 10.653 -12.659 -1.356 1.00 14.44 H new ATOM 0 HA ASN A 20 10.766 -9.729 -1.028 1.00 21.13 H new ATOM 0 HB2 ASN A 20 12.799 -10.914 -1.714 1.00 23.14 H new ATOM 0 HB3 ASN A 20 11.931 -11.782 -2.965 1.00 23.14 H new ATOM 0 HD21 ASN A 20 12.407 -9.236 -5.400 1.00 54.33 H new ATOM 0 HD22 ASN A 20 11.920 -10.896 -5.044 1.00 54.33 H new ATOM 293 N VAL A 21 9.249 -9.049 -2.992 1.00 3.11 N ATOM 294 CA VAL A 21 8.318 -8.660 -4.060 1.00 24.14 C ATOM 295 C VAL A 21 8.998 -7.664 -4.992 1.00 3.12 C ATOM 296 O VAL A 21 9.801 -6.853 -4.554 1.00 31.50 O ATOM 297 CB VAL A 21 7.017 -8.054 -3.504 1.00 64.52 C ATOM 298 CG1 VAL A 21 6.026 -9.103 -3.023 1.00 44.04 C ATOM 299 CG2 VAL A 21 7.254 -7.074 -2.355 1.00 12.04 C ATOM 0 H VAL A 21 9.672 -8.253 -2.514 1.00 3.11 H new ATOM 0 HA VAL A 21 8.048 -9.562 -4.609 1.00 24.14 H new ATOM 0 HB VAL A 21 6.596 -7.521 -4.356 1.00 64.52 H new ATOM 0 HG11 VAL A 21 5.131 -8.611 -2.643 1.00 44.04 H new ATOM 0 HG12 VAL A 21 5.757 -9.756 -3.853 1.00 44.04 H new ATOM 0 HG13 VAL A 21 6.480 -9.695 -2.228 1.00 44.04 H new ATOM 0 HG21 VAL A 21 6.298 -6.682 -2.008 1.00 12.04 H new ATOM 0 HG22 VAL A 21 7.754 -7.589 -1.535 1.00 12.04 H new ATOM 0 HG23 VAL A 21 7.879 -6.251 -2.702 1.00 12.04 H new ATOM 309 N LYS A 22 8.651 -7.682 -6.279 1.00 54.25 N ATOM 310 CA LYS A 22 9.387 -6.959 -7.327 1.00 4.01 C ATOM 311 C LYS A 22 8.460 -6.262 -8.320 1.00 20.13 C ATOM 312 O LYS A 22 8.808 -6.070 -9.480 1.00 12.22 O ATOM 313 CB LYS A 22 10.373 -7.911 -8.022 1.00 31.23 C ATOM 314 CG LYS A 22 9.694 -9.128 -8.676 1.00 75.22 C ATOM 315 CD LYS A 22 9.789 -10.375 -7.790 1.00 41.24 C ATOM 316 CE LYS A 22 8.726 -11.363 -8.250 1.00 75.24 C ATOM 317 NZ LYS A 22 8.992 -11.910 -9.598 1.00 71.33 N ATOM 0 H LYS A 22 7.846 -8.201 -6.630 1.00 54.25 H new ATOM 0 HA LYS A 22 9.956 -6.160 -6.851 1.00 4.01 H new ATOM 0 HB2 LYS A 22 10.923 -7.359 -8.784 1.00 31.23 H new ATOM 0 HB3 LYS A 22 11.103 -8.261 -7.292 1.00 31.23 H new ATOM 0 HG2 LYS A 22 8.646 -8.899 -8.871 1.00 75.22 H new ATOM 0 HG3 LYS A 22 10.160 -9.330 -9.640 1.00 75.22 H new ATOM 0 HD2 LYS A 22 10.781 -10.821 -7.865 1.00 41.24 H new ATOM 0 HD3 LYS A 22 9.636 -10.111 -6.744 1.00 41.24 H new ATOM 0 HE2 LYS A 22 8.667 -12.184 -7.536 1.00 75.24 H new ATOM 0 HE3 LYS A 22 7.754 -10.870 -8.249 1.00 75.24 H new ATOM 0 HZ1 LYS A 22 8.284 -12.638 -9.823 1.00 71.33 H new ATOM 0 HZ2 LYS A 22 8.937 -11.145 -10.300 1.00 71.33 H new ATOM 0 HZ3 LYS A 22 9.942 -12.333 -9.620 1.00 71.33 H new ATOM 327 N ASN A 23 7.234 -5.974 -7.900 1.00 53.35 N ATOM 328 CA ASN A 23 6.178 -5.342 -8.671 1.00 73.35 C ATOM 329 C ASN A 23 5.005 -5.247 -7.718 1.00 32.42 C ATOM 330 O ASN A 23 4.114 -6.092 -7.758 1.00 72.44 O ATOM 331 CB ASN A 23 5.795 -6.050 -9.995 1.00 33.21 C ATOM 332 CG ASN A 23 5.551 -7.556 -10.003 1.00 41.41 C ATOM 333 OD1 ASN A 23 5.223 -8.107 -11.049 1.00 4.43 O ATOM 334 ND2 ASN A 23 5.686 -8.259 -8.893 1.00 33.11 N ATOM 0 H ASN A 23 6.935 -6.191 -6.949 1.00 53.35 H new ATOM 0 HA ASN A 23 6.523 -4.372 -9.029 1.00 73.35 H new ATOM 0 HB2 ASN A 23 4.891 -5.571 -10.370 1.00 33.21 H new ATOM 0 HB3 ASN A 23 6.587 -5.844 -10.715 1.00 33.21 H new ATOM 0 HD21 ASN A 23 5.517 -9.265 -8.903 1.00 33.11 H new ATOM 0 HD22 ASN A 23 5.959 -7.796 -8.026 1.00 33.11 H new ATOM 340 N ILE A 24 5.039 -4.292 -6.784 1.00 11.33 N ATOM 341 CA ILE A 24 3.834 -3.873 -6.088 1.00 34.13 C ATOM 342 C ILE A 24 3.325 -2.640 -6.812 1.00 55.03 C ATOM 343 O ILE A 24 4.049 -1.650 -6.918 1.00 74.33 O ATOM 344 CB ILE A 24 4.036 -3.581 -4.587 1.00 35.30 C ATOM 345 CG1 ILE A 24 5.108 -4.479 -3.941 1.00 12.04 C ATOM 346 CG2 ILE A 24 2.666 -3.741 -3.901 1.00 4.34 C ATOM 347 CD1 ILE A 24 6.460 -3.775 -3.846 1.00 22.32 C ATOM 0 H ILE A 24 5.886 -3.801 -6.498 1.00 11.33 H new ATOM 0 HA ILE A 24 3.116 -4.693 -6.108 1.00 34.13 H new ATOM 0 HB ILE A 24 4.412 -2.566 -4.461 1.00 35.30 H new ATOM 0 HG12 ILE A 24 4.782 -4.774 -2.944 1.00 12.04 H new ATOM 0 HG13 ILE A 24 5.215 -5.393 -4.525 1.00 12.04 H new ATOM 0 HG21 ILE A 24 2.768 -3.542 -2.834 1.00 4.34 H new ATOM 0 HG22 ILE A 24 1.957 -3.036 -4.336 1.00 4.34 H new ATOM 0 HG23 ILE A 24 2.302 -4.758 -4.047 1.00 4.34 H new ATOM 0 HD11 ILE A 24 7.187 -4.444 -3.385 1.00 22.32 H new ATOM 0 HD12 ILE A 24 6.800 -3.504 -4.845 1.00 22.32 H new ATOM 0 HD13 ILE A 24 6.360 -2.875 -3.240 1.00 22.32 H new ATOM 358 N LYS A 25 2.107 -2.705 -7.323 1.00 75.32 N ATOM 359 CA LYS A 25 1.346 -1.598 -7.883 1.00 21.13 C ATOM 360 C LYS A 25 0.326 -1.179 -6.821 1.00 72.25 C ATOM 361 O LYS A 25 -0.125 -2.014 -6.037 1.00 20.34 O ATOM 362 CB LYS A 25 0.657 -2.090 -9.173 1.00 4.14 C ATOM 363 CG LYS A 25 1.313 -1.667 -10.498 1.00 74.32 C ATOM 364 CD LYS A 25 1.214 -0.179 -10.815 1.00 12.01 C ATOM 365 CE LYS A 25 -0.226 0.300 -10.873 1.00 32.52 C ATOM 366 NZ LYS A 25 -1.054 -0.468 -11.820 1.00 62.23 N ATOM 0 H LYS A 25 1.591 -3.584 -7.361 1.00 75.32 H new ATOM 0 HA LYS A 25 1.972 -0.743 -8.140 1.00 21.13 H new ATOM 0 HB2 LYS A 25 0.614 -3.179 -9.144 1.00 4.14 H new ATOM 0 HB3 LYS A 25 -0.372 -1.730 -9.170 1.00 4.14 H new ATOM 0 HG2 LYS A 25 2.366 -1.949 -10.472 1.00 74.32 H new ATOM 0 HG3 LYS A 25 0.852 -2.229 -11.311 1.00 74.32 H new ATOM 0 HD2 LYS A 25 1.754 0.389 -10.057 1.00 12.01 H new ATOM 0 HD3 LYS A 25 1.700 0.021 -11.770 1.00 12.01 H new ATOM 0 HE2 LYS A 25 -0.665 0.232 -9.878 1.00 32.52 H new ATOM 0 HE3 LYS A 25 -0.241 1.352 -11.157 1.00 32.52 H new ATOM 0 HZ1 LYS A 25 -1.990 -0.022 -11.904 1.00 62.23 H new ATOM 0 HZ2 LYS A 25 -0.593 -0.482 -12.752 1.00 62.23 H new ATOM 0 HZ3 LYS A 25 -1.165 -1.442 -11.473 1.00 62.23 H new ATOM 376 N VAL A 26 -0.025 0.102 -6.773 1.00 71.11 N ATOM 377 CA VAL A 26 -1.035 0.644 -5.868 1.00 52.45 C ATOM 378 C VAL A 26 -1.880 1.654 -6.652 1.00 40.23 C ATOM 379 O VAL A 26 -1.286 2.374 -7.455 1.00 1.14 O ATOM 380 CB VAL A 26 -0.369 1.279 -4.629 1.00 11.42 C ATOM 381 CG1 VAL A 26 0.732 0.388 -4.047 1.00 14.10 C ATOM 382 CG2 VAL A 26 0.277 2.657 -4.837 1.00 33.42 C ATOM 0 H VAL A 26 0.394 0.810 -7.376 1.00 71.11 H new ATOM 0 HA VAL A 26 -1.683 -0.149 -5.496 1.00 52.45 H new ATOM 0 HB VAL A 26 -1.220 1.395 -3.958 1.00 11.42 H new ATOM 0 HG11 VAL A 26 1.172 0.875 -3.177 1.00 14.10 H new ATOM 0 HG12 VAL A 26 0.306 -0.570 -3.749 1.00 14.10 H new ATOM 0 HG13 VAL A 26 1.503 0.224 -4.800 1.00 14.10 H new ATOM 0 HG21 VAL A 26 0.711 3.001 -3.898 1.00 33.42 H new ATOM 0 HG22 VAL A 26 1.059 2.582 -5.593 1.00 33.42 H new ATOM 0 HG23 VAL A 26 -0.480 3.368 -5.168 1.00 33.42 H new ATOM 392 N THR A 27 -3.184 1.784 -6.386 1.00 32.41 N ATOM 393 CA THR A 27 -4.061 2.801 -6.973 1.00 43.33 C ATOM 394 C THR A 27 -4.845 3.510 -5.855 1.00 52.04 C ATOM 395 O THR A 27 -5.668 2.878 -5.190 1.00 33.30 O ATOM 396 CB THR A 27 -5.014 2.194 -8.031 1.00 75.13 C ATOM 397 OG1 THR A 27 -4.375 1.281 -8.906 1.00 21.14 O ATOM 398 CG2 THR A 27 -5.644 3.288 -8.891 1.00 15.41 C ATOM 0 H THR A 27 -3.672 1.166 -5.737 1.00 32.41 H new ATOM 0 HA THR A 27 -3.444 3.534 -7.493 1.00 43.33 H new ATOM 0 HB THR A 27 -5.770 1.658 -7.457 1.00 75.13 H new ATOM 0 HG1 THR A 27 -4.485 1.583 -9.832 1.00 21.14 H new ATOM 0 HG21 THR A 27 -6.309 2.835 -9.626 1.00 15.41 H new ATOM 0 HG22 THR A 27 -6.213 3.967 -8.256 1.00 15.41 H new ATOM 0 HG23 THR A 27 -4.860 3.844 -9.405 1.00 15.41 H new ATOM 406 N TRP A 28 -4.613 4.808 -5.636 1.00 1.30 N ATOM 407 CA TRP A 28 -5.134 5.590 -4.504 1.00 51.41 C ATOM 408 C TRP A 28 -6.234 6.576 -4.909 1.00 51.11 C ATOM 409 O TRP A 28 -6.511 7.556 -4.218 1.00 15.14 O ATOM 410 CB TRP A 28 -3.959 6.301 -3.830 1.00 55.34 C ATOM 411 CG TRP A 28 -3.227 7.358 -4.607 1.00 42.03 C ATOM 412 CD1 TRP A 28 -3.491 8.684 -4.656 1.00 53.33 C ATOM 413 CD2 TRP A 28 -2.021 7.177 -5.384 1.00 72.44 C ATOM 414 NE1 TRP A 28 -2.509 9.326 -5.395 1.00 15.13 N ATOM 415 CE2 TRP A 28 -1.520 8.444 -5.786 1.00 54.21 C ATOM 416 CE3 TRP A 28 -1.290 6.038 -5.737 1.00 14.31 C ATOM 417 CZ2 TRP A 28 -0.279 8.573 -6.432 1.00 41.24 C ATOM 418 CZ3 TRP A 28 -0.078 6.148 -6.434 1.00 12.02 C ATOM 419 CH2 TRP A 28 0.444 7.413 -6.759 1.00 14.05 C ATOM 0 H TRP A 28 -4.036 5.367 -6.265 1.00 1.30 H new ATOM 0 HA TRP A 28 -5.612 4.907 -3.802 1.00 51.41 H new ATOM 0 HB2 TRP A 28 -4.329 6.759 -2.913 1.00 55.34 H new ATOM 0 HB3 TRP A 28 -3.234 5.541 -3.537 1.00 55.34 H new ATOM 0 HD1 TRP A 28 -4.337 9.168 -4.191 1.00 53.33 H new ATOM 0 HE1 TRP A 28 -2.516 10.321 -5.621 1.00 15.13 H new ATOM 0 HE3 TRP A 28 -1.664 5.061 -5.469 1.00 14.31 H new ATOM 0 HZ2 TRP A 28 0.114 9.550 -6.674 1.00 41.24 H new ATOM 0 HZ3 TRP A 28 0.458 5.256 -6.723 1.00 12.02 H new ATOM 0 HH2 TRP A 28 1.398 7.493 -7.259 1.00 14.05 H new ATOM 429 N ASN A 29 -6.848 6.365 -6.065 1.00 32.23 N ATOM 430 CA ASN A 29 -7.993 7.129 -6.550 1.00 22.23 C ATOM 431 C ASN A 29 -8.621 6.343 -7.694 1.00 41.25 C ATOM 432 O ASN A 29 -8.336 5.151 -7.840 1.00 75.14 O ATOM 433 CB ASN A 29 -7.598 8.573 -6.927 1.00 3.21 C ATOM 434 CG ASN A 29 -8.465 9.562 -6.164 1.00 55.03 C ATOM 435 OD1 ASN A 29 -9.440 10.092 -6.687 1.00 21.53 O ATOM 436 ND2 ASN A 29 -8.193 9.774 -4.889 1.00 0.23 N ATOM 0 H ASN A 29 -6.555 5.634 -6.713 1.00 32.23 H new ATOM 0 HA ASN A 29 -8.738 7.252 -5.764 1.00 22.23 H new ATOM 0 HB2 ASN A 29 -6.547 8.744 -6.696 1.00 3.21 H new ATOM 0 HB3 ASN A 29 -7.717 8.724 -8.000 1.00 3.21 H new ATOM 0 HD21 ASN A 29 -8.795 10.381 -4.333 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -7.381 9.330 -4.460 1.00 0.23 H new ATOM 442 N ASP A 30 -9.491 6.961 -8.490 1.00 52.32 N ATOM 443 CA ASP A 30 -10.058 6.343 -9.689 1.00 35.03 C ATOM 444 C ASP A 30 -9.021 6.399 -10.815 1.00 61.03 C ATOM 445 O ASP A 30 -9.133 7.182 -11.759 1.00 4.11 O ATOM 446 CB ASP A 30 -11.413 6.979 -10.051 1.00 64.01 C ATOM 447 CG ASP A 30 -12.572 6.380 -9.248 1.00 21.11 C ATOM 448 OD1 ASP A 30 -12.359 5.816 -8.151 1.00 75.43 O ATOM 449 OD2 ASP A 30 -13.731 6.401 -9.722 1.00 21.44 O ATOM 0 H ASP A 30 -9.825 7.910 -8.321 1.00 52.32 H new ATOM 0 HA ASP A 30 -10.281 5.292 -9.507 1.00 35.03 H new ATOM 0 HB2 ASP A 30 -11.367 8.053 -9.871 1.00 64.01 H new ATOM 0 HB3 ASP A 30 -11.603 6.842 -11.116 1.00 64.01 H new ATOM 453 N GLY A 31 -7.958 5.600 -10.692 1.00 40.51 N ATOM 454 CA GLY A 31 -6.925 5.409 -11.707 1.00 21.32 C ATOM 455 C GLY A 31 -5.533 5.846 -11.255 1.00 21.11 C ATOM 456 O GLY A 31 -4.551 5.304 -11.755 1.00 4.44 O ATOM 0 H GLY A 31 -7.789 5.049 -9.850 1.00 40.51 H new ATOM 0 HA2 GLY A 31 -6.893 4.356 -11.986 1.00 21.32 H new ATOM 0 HA3 GLY A 31 -7.199 5.968 -12.602 1.00 21.32 H new ATOM 460 N LYS A 32 -5.407 6.786 -10.308 1.00 74.20 N ATOM 461 CA LYS A 32 -4.105 7.296 -9.869 1.00 0.14 C ATOM 462 C LYS A 32 -3.266 6.166 -9.269 1.00 72.33 C ATOM 463 O LYS A 32 -3.550 5.748 -8.147 1.00 71.43 O ATOM 464 CB LYS A 32 -4.261 8.452 -8.860 1.00 75.52 C ATOM 465 CG LYS A 32 -3.189 9.558 -8.950 1.00 53.03 C ATOM 466 CD LYS A 32 -1.736 9.116 -9.185 1.00 2.34 C ATOM 467 CE LYS A 32 -1.349 9.115 -10.667 1.00 35.32 C ATOM 468 NZ LYS A 32 0.067 8.743 -10.877 1.00 72.41 N ATOM 0 H LYS A 32 -6.201 7.211 -9.829 1.00 74.20 H new ATOM 0 HA LYS A 32 -3.588 7.691 -10.744 1.00 0.14 H new ATOM 0 HB2 LYS A 32 -5.241 8.907 -9.003 1.00 75.52 H new ATOM 0 HB3 LYS A 32 -4.247 8.037 -7.852 1.00 75.52 H new ATOM 0 HG2 LYS A 32 -3.470 10.235 -9.757 1.00 53.03 H new ATOM 0 HG3 LYS A 32 -3.221 10.134 -8.025 1.00 53.03 H new ATOM 0 HD2 LYS A 32 -1.066 9.781 -8.640 1.00 2.34 H new ATOM 0 HD3 LYS A 32 -1.595 8.115 -8.776 1.00 2.34 H new ATOM 0 HE2 LYS A 32 -1.989 8.418 -11.207 1.00 35.32 H new ATOM 0 HE3 LYS A 32 -1.529 10.104 -11.088 1.00 35.32 H new ATOM 0 HZ1 LYS A 32 0.358 9.012 -11.839 1.00 72.41 H new ATOM 0 HZ2 LYS A 32 0.663 9.239 -10.183 1.00 72.41 H new ATOM 0 HZ3 LYS A 32 0.178 7.716 -10.757 1.00 72.41 H new ATOM 478 N GLU A 33 -2.243 5.685 -9.977 1.00 75.41 N ATOM 479 CA GLU A 33 -1.418 4.558 -9.558 1.00 40.34 C ATOM 480 C GLU A 33 0.065 4.818 -9.793 1.00 0.43 C ATOM 481 O GLU A 33 0.436 5.722 -10.551 1.00 15.12 O ATOM 482 CB GLU A 33 -1.932 3.263 -10.222 1.00 63.11 C ATOM 483 CG GLU A 33 -1.994 3.135 -11.761 1.00 0.12 C ATOM 484 CD GLU A 33 -3.212 2.350 -12.304 1.00 34.34 C ATOM 485 OE1 GLU A 33 -4.111 1.920 -11.534 1.00 40.12 O ATOM 486 OE2 GLU A 33 -3.213 2.024 -13.512 1.00 71.42 O ATOM 0 H GLU A 33 -1.962 6.078 -10.875 1.00 75.41 H new ATOM 0 HA GLU A 33 -1.510 4.429 -8.480 1.00 40.34 H new ATOM 0 HB2 GLU A 33 -1.309 2.447 -9.857 1.00 63.11 H new ATOM 0 HB3 GLU A 33 -2.940 3.088 -9.845 1.00 63.11 H new ATOM 0 HG2 GLU A 33 -2.004 4.135 -12.194 1.00 0.12 H new ATOM 0 HG3 GLU A 33 -1.083 2.647 -12.107 1.00 0.12 H new ATOM 491 N GLN A 34 0.903 4.030 -9.113 1.00 32.54 N ATOM 492 CA GLN A 34 2.361 3.955 -9.276 1.00 2.04 C ATOM 493 C GLN A 34 2.865 2.601 -8.753 1.00 54.41 C ATOM 494 O GLN A 34 2.107 1.867 -8.110 1.00 62.10 O ATOM 495 CB GLN A 34 3.081 5.151 -8.603 1.00 64.40 C ATOM 496 CG GLN A 34 3.279 5.083 -7.073 1.00 55.14 C ATOM 497 CD GLN A 34 4.602 4.434 -6.668 1.00 74.11 C ATOM 498 OE1 GLN A 34 5.680 4.931 -6.952 1.00 11.24 O ATOM 499 NE2 GLN A 34 4.568 3.284 -6.019 1.00 60.14 N ATOM 0 H GLN A 34 0.565 3.391 -8.393 1.00 32.54 H new ATOM 0 HA GLN A 34 2.601 4.025 -10.337 1.00 2.04 H new ATOM 0 HB2 GLN A 34 4.062 5.260 -9.066 1.00 64.40 H new ATOM 0 HB3 GLN A 34 2.519 6.056 -8.831 1.00 64.40 H new ATOM 0 HG2 GLN A 34 3.235 6.091 -6.662 1.00 55.14 H new ATOM 0 HG3 GLN A 34 2.456 4.522 -6.631 1.00 55.14 H new ATOM 0 HE21 GLN A 34 3.672 2.861 -5.777 1.00 60.14 H new ATOM 0 HE22 GLN A 34 5.438 2.819 -5.759 1.00 60.14 H new ATOM 506 N THR A 35 4.140 2.274 -8.981 1.00 11.15 N ATOM 507 CA THR A 35 4.762 1.039 -8.505 1.00 40.40 C ATOM 508 C THR A 35 6.204 1.298 -8.052 1.00 21.54 C ATOM 509 O THR A 35 6.817 2.310 -8.401 1.00 53.41 O ATOM 510 CB THR A 35 4.641 -0.057 -9.584 1.00 42.22 C ATOM 511 OG1 THR A 35 5.288 -1.256 -9.228 1.00 12.22 O ATOM 512 CG2 THR A 35 5.091 0.398 -10.972 1.00 23.25 C ATOM 0 H THR A 35 4.777 2.870 -9.510 1.00 11.15 H new ATOM 0 HA THR A 35 4.235 0.673 -7.624 1.00 40.40 H new ATOM 0 HB THR A 35 3.571 -0.258 -9.641 1.00 42.22 H new ATOM 0 HG1 THR A 35 5.108 -1.458 -8.286 1.00 12.22 H new ATOM 0 HG21 THR A 35 4.978 -0.424 -11.679 1.00 23.25 H new ATOM 0 HG22 THR A 35 4.480 1.241 -11.295 1.00 23.25 H new ATOM 0 HG23 THR A 35 6.137 0.702 -10.934 1.00 23.25 H new ATOM 520 N VAL A 36 6.714 0.394 -7.214 1.00 75.44 N ATOM 521 CA VAL A 36 8.050 0.404 -6.633 1.00 24.32 C ATOM 522 C VAL A 36 8.985 -0.370 -7.584 1.00 63.41 C ATOM 523 O VAL A 36 8.502 -1.068 -8.482 1.00 51.43 O ATOM 524 CB VAL A 36 7.923 -0.239 -5.226 1.00 75.32 C ATOM 525 CG1 VAL A 36 9.262 -0.359 -4.494 1.00 63.31 C ATOM 526 CG2 VAL A 36 6.968 0.577 -4.331 1.00 33.21 C ATOM 0 H VAL A 36 6.169 -0.412 -6.907 1.00 75.44 H new ATOM 0 HA VAL A 36 8.474 1.401 -6.515 1.00 24.32 H new ATOM 0 HB VAL A 36 7.532 -1.241 -5.402 1.00 75.32 H new ATOM 0 HG11 VAL A 36 9.103 -0.816 -3.517 1.00 63.31 H new ATOM 0 HG12 VAL A 36 9.942 -0.979 -5.078 1.00 63.31 H new ATOM 0 HG13 VAL A 36 9.696 0.632 -4.364 1.00 63.31 H new ATOM 0 HG21 VAL A 36 6.896 0.106 -3.351 1.00 33.21 H new ATOM 0 HG22 VAL A 36 7.352 1.591 -4.219 1.00 33.21 H new ATOM 0 HG23 VAL A 36 5.980 0.612 -4.790 1.00 33.21 H new ATOM 536 N ASN A 37 10.303 -0.284 -7.392 1.00 40.12 N ATOM 537 CA ASN A 37 11.271 -1.234 -7.937 1.00 42.43 C ATOM 538 C ASN A 37 11.050 -2.622 -7.319 1.00 21.54 C ATOM 539 O ASN A 37 10.308 -3.441 -7.861 1.00 24.22 O ATOM 540 CB ASN A 37 12.702 -0.724 -7.708 1.00 15.15 C ATOM 541 CG ASN A 37 13.737 -1.753 -8.146 1.00 31.33 C ATOM 542 OD1 ASN A 37 13.713 -2.213 -9.279 1.00 74.30 O ATOM 543 ND2 ASN A 37 14.622 -2.173 -7.259 1.00 55.11 N ATOM 0 H ASN A 37 10.733 0.461 -6.844 1.00 40.12 H new ATOM 0 HA ASN A 37 11.125 -1.325 -9.013 1.00 42.43 H new ATOM 0 HB2 ASN A 37 12.852 0.203 -8.261 1.00 15.15 H new ATOM 0 HB3 ASN A 37 12.842 -0.492 -6.652 1.00 15.15 H new ATOM 0 HD21 ASN A 37 15.299 -2.892 -7.515 1.00 55.11 H new ATOM 0 HD22 ASN A 37 14.628 -1.779 -6.318 1.00 55.11 H new ATOM 549 N THR A 38 11.629 -2.887 -6.149 1.00 43.30 N ATOM 550 CA THR A 38 11.570 -4.158 -5.437 1.00 54.34 C ATOM 551 C THR A 38 11.496 -3.847 -3.932 1.00 32.51 C ATOM 552 O THR A 38 11.786 -2.721 -3.520 1.00 13.22 O ATOM 553 CB THR A 38 12.795 -4.997 -5.880 1.00 15.32 C ATOM 554 OG1 THR A 38 12.693 -5.318 -7.258 1.00 64.53 O ATOM 555 CG2 THR A 38 12.979 -6.337 -5.175 1.00 72.41 C ATOM 0 H THR A 38 12.177 -2.187 -5.650 1.00 43.30 H new ATOM 0 HA THR A 38 10.689 -4.757 -5.667 1.00 54.34 H new ATOM 0 HB THR A 38 13.639 -4.356 -5.626 1.00 15.32 H new ATOM 0 HG1 THR A 38 13.472 -5.847 -7.529 1.00 64.53 H new ATOM 0 HG21 THR A 38 13.866 -6.835 -5.566 1.00 72.41 H new ATOM 0 HG22 THR A 38 13.098 -6.171 -4.104 1.00 72.41 H new ATOM 0 HG23 THR A 38 12.105 -6.964 -5.351 1.00 72.41 H new ATOM 563 N LEU A 39 11.045 -4.814 -3.129 1.00 33.21 N ATOM 564 CA LEU A 39 10.883 -4.733 -1.687 1.00 34.52 C ATOM 565 C LEU A 39 11.411 -6.017 -1.067 1.00 71.51 C ATOM 566 O LEU A 39 10.851 -7.099 -1.269 1.00 13.34 O ATOM 567 CB LEU A 39 9.415 -4.516 -1.276 1.00 32.44 C ATOM 568 CG LEU A 39 9.153 -3.362 -0.317 1.00 0.33 C ATOM 569 CD1 LEU A 39 9.831 -3.566 1.005 1.00 35.33 C ATOM 570 CD2 LEU A 39 9.610 -1.980 -0.771 1.00 40.01 C ATOM 0 H LEU A 39 10.769 -5.725 -3.496 1.00 33.21 H new ATOM 0 HA LEU A 39 11.444 -3.871 -1.327 1.00 34.52 H new ATOM 0 HB2 LEU A 39 8.826 -4.353 -2.179 1.00 32.44 H new ATOM 0 HB3 LEU A 39 9.047 -5.434 -0.817 1.00 32.44 H new ATOM 0 HG LEU A 39 8.064 -3.377 -0.263 1.00 0.33 H new ATOM 0 HD11 LEU A 39 9.617 -2.720 1.658 1.00 35.33 H new ATOM 0 HD12 LEU A 39 9.462 -4.482 1.466 1.00 35.33 H new ATOM 0 HD13 LEU A 39 10.908 -3.645 0.853 1.00 35.33 H new ATOM 0 HD21 LEU A 39 9.367 -1.246 -0.003 1.00 40.01 H new ATOM 0 HD22 LEU A 39 10.687 -1.989 -0.937 1.00 40.01 H new ATOM 0 HD23 LEU A 39 9.103 -1.716 -1.699 1.00 40.01 H new ATOM 581 N GLY A 40 12.469 -5.847 -0.288 1.00 31.10 N ATOM 582 CA GLY A 40 13.104 -6.870 0.520 1.00 53.31 C ATOM 583 C GLY A 40 12.186 -7.421 1.608 1.00 31.53 C ATOM 584 O GLY A 40 11.128 -6.859 1.890 1.00 35.32 O ATOM 0 H GLY A 40 12.930 -4.941 -0.200 1.00 31.10 H new ATOM 0 HA2 GLY A 40 13.426 -7.687 -0.125 1.00 53.31 H new ATOM 0 HA3 GLY A 40 14.000 -6.457 0.983 1.00 53.31 H new ATOM 588 N SER A 41 12.574 -8.514 2.257 1.00 3.11 N ATOM 589 CA SER A 41 11.845 -9.057 3.399 1.00 35.20 C ATOM 590 C SER A 41 11.993 -8.093 4.585 1.00 44.35 C ATOM 591 O SER A 41 13.113 -7.707 4.923 1.00 64.33 O ATOM 592 CB SER A 41 12.358 -10.472 3.698 1.00 42.35 C ATOM 593 OG SER A 41 13.758 -10.608 3.488 1.00 13.42 O ATOM 0 H SER A 41 13.405 -9.050 2.006 1.00 3.11 H new ATOM 0 HA SER A 41 10.779 -9.146 3.187 1.00 35.20 H new ATOM 0 HB2 SER A 41 12.124 -10.727 4.732 1.00 42.35 H new ATOM 0 HB3 SER A 41 11.830 -11.186 3.066 1.00 42.35 H new ATOM 0 HG SER A 41 14.032 -11.526 3.694 1.00 13.42 H new ATOM 598 N HIS A 42 10.878 -7.674 5.189 1.00 73.55 N ATOM 599 CA HIS A 42 10.791 -6.590 6.173 1.00 64.23 C ATOM 600 C HIS A 42 11.507 -5.323 5.695 1.00 51.43 C ATOM 601 O HIS A 42 12.148 -4.604 6.470 1.00 22.53 O ATOM 602 CB HIS A 42 11.188 -7.077 7.575 1.00 53.34 C ATOM 603 CG HIS A 42 10.074 -7.812 8.272 1.00 53.44 C ATOM 604 ND1 HIS A 42 9.393 -7.362 9.382 1.00 5.32 N ATOM 605 CD2 HIS A 42 9.567 -9.038 7.941 1.00 44.25 C ATOM 606 CE1 HIS A 42 8.498 -8.303 9.720 1.00 21.42 C ATOM 607 NE2 HIS A 42 8.573 -9.344 8.874 1.00 12.02 N ATOM 0 H HIS A 42 9.971 -8.099 4.998 1.00 73.55 H new ATOM 0 HA HIS A 42 9.748 -6.286 6.267 1.00 64.23 H new ATOM 0 HB2 HIS A 42 12.056 -7.732 7.495 1.00 53.34 H new ATOM 0 HB3 HIS A 42 11.488 -6.222 8.181 1.00 53.34 H new ATOM 0 HD2 HIS A 42 9.878 -9.656 7.111 1.00 44.25 H new ATOM 0 HE1 HIS A 42 7.815 -8.233 10.553 1.00 21.42 H new ATOM 0 HE2 HIS A 42 8.012 -10.195 8.907 1.00 12.02 H new ATOM 614 N ASP A 43 11.349 -5.006 4.411 1.00 31.30 N ATOM 615 CA ASP A 43 11.725 -3.714 3.865 1.00 51.11 C ATOM 616 C ASP A 43 10.536 -2.765 3.834 1.00 21.51 C ATOM 617 O ASP A 43 9.411 -3.140 4.192 1.00 4.13 O ATOM 618 CB ASP A 43 12.558 -3.850 2.588 1.00 34.34 C ATOM 619 CG ASP A 43 14.029 -4.195 2.767 1.00 72.35 C ATOM 620 OD1 ASP A 43 14.488 -4.567 3.866 1.00 23.14 O ATOM 621 OD2 ASP A 43 14.728 -4.156 1.730 1.00 34.22 O ATOM 0 H ASP A 43 10.954 -5.645 3.721 1.00 31.30 H new ATOM 0 HA ASP A 43 12.422 -3.215 4.538 1.00 51.11 H new ATOM 0 HB2 ASP A 43 12.102 -4.618 1.964 1.00 34.34 H new ATOM 0 HB3 ASP A 43 12.493 -2.912 2.037 1.00 34.34 H new ATOM 625 N SER A 44 10.786 -1.511 3.453 1.00 52.21 N ATOM 626 CA SER A 44 9.754 -0.492 3.348 1.00 55.04 C ATOM 627 C SER A 44 10.186 0.660 2.437 1.00 61.43 C ATOM 628 O SER A 44 11.383 0.923 2.280 1.00 10.02 O ATOM 629 CB SER A 44 9.376 0.005 4.751 1.00 44.23 C ATOM 630 OG SER A 44 10.513 0.265 5.562 1.00 22.52 O ATOM 0 H SER A 44 11.718 -1.177 3.208 1.00 52.21 H new ATOM 0 HA SER A 44 8.872 -0.936 2.886 1.00 55.04 H new ATOM 0 HB2 SER A 44 8.782 0.914 4.663 1.00 44.23 H new ATOM 0 HB3 SER A 44 8.748 -0.740 5.240 1.00 44.23 H new ATOM 0 HG SER A 44 10.221 0.580 6.443 1.00 22.52 H new ATOM 635 N ILE A 45 9.214 1.366 1.859 1.00 14.01 N ATOM 636 CA ILE A 45 9.430 2.545 1.028 1.00 13.32 C ATOM 637 C ILE A 45 8.244 3.479 1.180 1.00 35.33 C ATOM 638 O ILE A 45 7.105 3.019 1.251 1.00 32.22 O ATOM 639 CB ILE A 45 9.665 2.134 -0.442 1.00 41.04 C ATOM 640 CG1 ILE A 45 10.056 3.350 -1.307 1.00 35.12 C ATOM 641 CG2 ILE A 45 8.457 1.385 -1.044 1.00 35.41 C ATOM 642 CD1 ILE A 45 10.377 2.992 -2.758 1.00 44.10 C ATOM 0 H ILE A 45 8.228 1.125 1.960 1.00 14.01 H new ATOM 0 HA ILE A 45 10.326 3.074 1.353 1.00 13.32 H new ATOM 0 HB ILE A 45 10.502 1.435 -0.443 1.00 41.04 H new ATOM 0 HG12 ILE A 45 9.240 4.073 -1.292 1.00 35.12 H new ATOM 0 HG13 ILE A 45 10.923 3.838 -0.862 1.00 35.12 H new ATOM 0 HG21 ILE A 45 8.673 1.118 -2.079 1.00 35.41 H new ATOM 0 HG22 ILE A 45 8.267 0.479 -0.468 1.00 35.41 H new ATOM 0 HG23 ILE A 45 7.577 2.028 -1.011 1.00 35.41 H new ATOM 0 HD11 ILE A 45 10.643 3.896 -3.305 1.00 44.10 H new ATOM 0 HD12 ILE A 45 11.213 2.293 -2.784 1.00 44.10 H new ATOM 0 HD13 ILE A 45 9.504 2.531 -3.221 1.00 44.10 H new ATOM 653 N ASP A 46 8.506 4.780 1.162 1.00 52.41 N ATOM 654 CA ASP A 46 7.496 5.830 1.116 1.00 14.21 C ATOM 655 C ASP A 46 7.529 6.511 -0.242 1.00 0.45 C ATOM 656 O ASP A 46 8.572 6.580 -0.896 1.00 53.21 O ATOM 657 CB ASP A 46 7.633 6.861 2.251 1.00 15.41 C ATOM 658 CG ASP A 46 8.975 7.600 2.326 1.00 3.25 C ATOM 659 OD1 ASP A 46 10.050 6.957 2.407 1.00 41.44 O ATOM 660 OD2 ASP A 46 8.965 8.835 2.513 1.00 11.11 O ATOM 0 H ASP A 46 9.458 5.145 1.180 1.00 52.41 H new ATOM 0 HA ASP A 46 6.528 5.351 1.266 1.00 14.21 H new ATOM 0 HB2 ASP A 46 6.839 7.600 2.142 1.00 15.41 H new ATOM 0 HB3 ASP A 46 7.467 6.352 3.200 1.00 15.41 H new ATOM 664 N PHE A 47 6.369 6.996 -0.667 1.00 44.31 N ATOM 665 CA PHE A 47 6.223 7.872 -1.821 1.00 60.33 C ATOM 666 C PHE A 47 5.079 8.859 -1.578 1.00 72.33 C ATOM 667 O PHE A 47 4.148 8.593 -0.812 1.00 53.00 O ATOM 668 CB PHE A 47 6.027 7.060 -3.120 1.00 21.42 C ATOM 669 CG PHE A 47 5.094 5.871 -3.054 1.00 64.54 C ATOM 670 CD1 PHE A 47 5.573 4.635 -2.581 1.00 51.10 C ATOM 671 CD2 PHE A 47 3.761 5.991 -3.482 1.00 32.43 C ATOM 672 CE1 PHE A 47 4.715 3.528 -2.508 1.00 33.45 C ATOM 673 CE2 PHE A 47 2.905 4.880 -3.422 1.00 13.44 C ATOM 674 CZ PHE A 47 3.379 3.655 -2.922 1.00 72.31 C ATOM 0 H PHE A 47 5.483 6.786 -0.207 1.00 44.31 H new ATOM 0 HA PHE A 47 7.141 8.444 -1.952 1.00 60.33 H new ATOM 0 HB2 PHE A 47 5.658 7.737 -3.890 1.00 21.42 H new ATOM 0 HB3 PHE A 47 7.004 6.706 -3.448 1.00 21.42 H new ATOM 0 HD1 PHE A 47 6.604 4.539 -2.273 1.00 51.10 H new ATOM 0 HD2 PHE A 47 3.396 6.936 -3.856 1.00 32.43 H new ATOM 0 HE1 PHE A 47 5.080 2.582 -2.135 1.00 33.45 H new ATOM 0 HE2 PHE A 47 1.883 4.967 -3.760 1.00 13.44 H new ATOM 0 HZ PHE A 47 2.713 2.807 -2.856 1.00 72.31 H new ATOM 683 N SER A 48 5.151 10.010 -2.239 1.00 43.22 N ATOM 684 CA SER A 48 4.126 11.020 -2.331 1.00 71.12 C ATOM 685 C SER A 48 2.835 10.485 -2.968 1.00 3.02 C ATOM 686 O SER A 48 2.770 9.340 -3.418 1.00 24.24 O ATOM 687 CB SER A 48 4.769 12.226 -3.033 1.00 55.41 C ATOM 688 OG SER A 48 4.776 12.113 -4.446 1.00 34.12 O ATOM 0 H SER A 48 5.990 10.271 -2.758 1.00 43.22 H new ATOM 0 HA SER A 48 3.775 11.340 -1.350 1.00 71.12 H new ATOM 0 HB2 SER A 48 4.232 13.131 -2.750 1.00 55.41 H new ATOM 0 HB3 SER A 48 5.794 12.340 -2.679 1.00 55.41 H new ATOM 0 HG SER A 48 5.195 12.909 -4.836 1.00 34.12 H new ATOM 693 N SER A 49 1.782 11.302 -3.016 1.00 20.15 N ATOM 694 CA SER A 49 0.579 10.970 -3.754 1.00 42.04 C ATOM 695 C SER A 49 0.056 12.243 -4.410 1.00 43.20 C ATOM 696 O SER A 49 0.198 13.339 -3.863 1.00 62.52 O ATOM 697 CB SER A 49 -0.423 10.249 -2.839 1.00 64.14 C ATOM 698 OG SER A 49 -0.549 10.856 -1.570 1.00 33.23 O ATOM 0 H SER A 49 1.746 12.206 -2.545 1.00 20.15 H new ATOM 0 HA SER A 49 0.776 10.261 -4.558 1.00 42.04 H new ATOM 0 HB2 SER A 49 -1.399 10.228 -3.324 1.00 64.14 H new ATOM 0 HB3 SER A 49 -0.109 9.213 -2.710 1.00 64.14 H new ATOM 0 HG SER A 49 0.203 11.468 -1.424 1.00 33.23 H new ATOM 703 N ASP A 50 -0.529 12.089 -5.598 1.00 14.35 N ATOM 704 CA ASP A 50 -0.792 13.189 -6.534 1.00 61.22 C ATOM 705 C ASP A 50 -2.133 13.882 -6.272 1.00 72.13 C ATOM 706 O ASP A 50 -2.694 14.530 -7.158 1.00 71.11 O ATOM 707 CB ASP A 50 -0.696 12.651 -7.970 1.00 22.32 C ATOM 708 CG ASP A 50 -0.393 13.743 -8.997 1.00 64.23 C ATOM 709 OD1 ASP A 50 0.514 14.566 -8.733 1.00 55.20 O ATOM 710 OD2 ASP A 50 -0.963 13.681 -10.115 1.00 33.33 O ATOM 0 H ASP A 50 -0.840 11.182 -5.945 1.00 14.35 H new ATOM 0 HA ASP A 50 -0.037 13.960 -6.384 1.00 61.22 H new ATOM 0 HB2 ASP A 50 0.083 11.890 -8.016 1.00 22.32 H new ATOM 0 HB3 ASP A 50 -1.634 12.163 -8.233 1.00 22.32 H new ATOM 714 N ALA A 51 -2.655 13.762 -5.052 1.00 12.24 N ATOM 715 CA ALA A 51 -3.917 14.327 -4.607 1.00 23.44 C ATOM 716 C ALA A 51 -3.735 14.910 -3.204 1.00 53.02 C ATOM 717 O ALA A 51 -2.820 14.517 -2.473 1.00 0.03 O ATOM 718 CB ALA A 51 -4.989 13.229 -4.608 1.00 41.41 C ATOM 0 H ALA A 51 -2.181 13.241 -4.314 1.00 12.24 H new ATOM 0 HA ALA A 51 -4.236 15.124 -5.279 1.00 23.44 H new ATOM 0 HB1 ALA A 51 -5.939 13.647 -4.275 1.00 41.41 H new ATOM 0 HB2 ALA A 51 -5.102 12.831 -5.617 1.00 41.41 H new ATOM 0 HB3 ALA A 51 -4.689 12.427 -3.933 1.00 41.41 H new ATOM 724 N GLY A 52 -4.624 15.834 -2.837 1.00 53.30 N ATOM 725 CA GLY A 52 -4.593 16.501 -1.544 1.00 33.21 C ATOM 726 C GLY A 52 -5.032 15.577 -0.409 1.00 34.31 C ATOM 727 O GLY A 52 -4.537 15.698 0.711 1.00 33.42 O ATOM 0 H GLY A 52 -5.390 16.140 -3.437 1.00 53.30 H new ATOM 0 HA2 GLY A 52 -3.583 16.862 -1.347 1.00 33.21 H new ATOM 0 HA3 GLY A 52 -5.244 17.375 -1.572 1.00 33.21 H new ATOM 731 N SER A 53 -5.982 14.676 -0.676 1.00 34.12 N ATOM 732 CA SER A 53 -6.462 13.694 0.284 1.00 72.24 C ATOM 733 C SER A 53 -6.998 12.463 -0.460 1.00 75.50 C ATOM 734 O SER A 53 -7.190 12.507 -1.680 1.00 40.02 O ATOM 735 CB SER A 53 -7.472 14.320 1.271 1.00 61.54 C ATOM 736 OG SER A 53 -7.933 15.626 0.927 1.00 24.44 O ATOM 0 H SER A 53 -6.443 14.613 -1.583 1.00 34.12 H new ATOM 0 HA SER A 53 -5.635 13.352 0.906 1.00 72.24 H new ATOM 0 HB2 SER A 53 -8.334 13.658 1.351 1.00 61.54 H new ATOM 0 HB3 SER A 53 -7.011 14.364 2.258 1.00 61.54 H new ATOM 0 HG SER A 53 -8.567 15.938 1.606 1.00 24.44 H new ATOM 741 N VAL A 54 -7.227 11.361 0.253 1.00 54.01 N ATOM 742 CA VAL A 54 -7.641 10.083 -0.310 1.00 73.45 C ATOM 743 C VAL A 54 -8.415 9.268 0.730 1.00 53.13 C ATOM 744 O VAL A 54 -8.231 9.441 1.937 1.00 51.34 O ATOM 745 CB VAL A 54 -6.400 9.367 -0.895 1.00 11.34 C ATOM 746 CG1 VAL A 54 -5.145 9.385 -0.011 1.00 22.13 C ATOM 747 CG2 VAL A 54 -6.687 7.905 -1.253 1.00 73.55 C ATOM 0 H VAL A 54 -7.126 11.335 1.268 1.00 54.01 H new ATOM 0 HA VAL A 54 -8.338 10.224 -1.136 1.00 73.45 H new ATOM 0 HB VAL A 54 -6.188 9.960 -1.785 1.00 11.34 H new ATOM 0 HG11 VAL A 54 -4.337 8.856 -0.516 1.00 22.13 H new ATOM 0 HG12 VAL A 54 -4.845 10.416 0.173 1.00 22.13 H new ATOM 0 HG13 VAL A 54 -5.362 8.895 0.938 1.00 22.13 H new ATOM 0 HG21 VAL A 54 -5.786 7.446 -1.659 1.00 73.55 H new ATOM 0 HG22 VAL A 54 -6.997 7.365 -0.358 1.00 73.55 H new ATOM 0 HG23 VAL A 54 -7.483 7.862 -1.997 1.00 73.55 H new ATOM 757 N TYR A 55 -9.292 8.378 0.260 1.00 35.22 N ATOM 758 CA TYR A 55 -10.159 7.507 1.056 1.00 74.41 C ATOM 759 C TYR A 55 -10.186 6.062 0.545 1.00 33.44 C ATOM 760 O TYR A 55 -10.991 5.262 1.023 1.00 72.12 O ATOM 761 CB TYR A 55 -11.579 8.091 1.112 1.00 1.00 C ATOM 762 CG TYR A 55 -11.996 8.864 -0.125 1.00 54.44 C ATOM 763 CD1 TYR A 55 -12.087 8.223 -1.375 1.00 52.11 C ATOM 764 CD2 TYR A 55 -12.258 10.240 -0.023 1.00 23.22 C ATOM 765 CE1 TYR A 55 -12.384 8.969 -2.531 1.00 33.30 C ATOM 766 CE2 TYR A 55 -12.557 10.992 -1.170 1.00 20.24 C ATOM 767 CZ TYR A 55 -12.590 10.369 -2.439 1.00 3.13 C ATOM 768 OH TYR A 55 -12.830 11.104 -3.562 1.00 44.31 O ATOM 0 H TYR A 55 -9.423 8.238 -0.742 1.00 35.22 H new ATOM 0 HA TYR A 55 -9.741 7.468 2.062 1.00 74.41 H new ATOM 0 HB2 TYR A 55 -12.286 7.277 1.270 1.00 1.00 H new ATOM 0 HB3 TYR A 55 -11.652 8.750 1.977 1.00 1.00 H new ATOM 0 HD1 TYR A 55 -11.929 7.157 -1.447 1.00 52.11 H new ATOM 0 HD2 TYR A 55 -12.229 10.722 0.943 1.00 23.22 H new ATOM 0 HE1 TYR A 55 -12.455 8.475 -3.489 1.00 33.30 H new ATOM 0 HE2 TYR A 55 -12.762 12.049 -1.083 1.00 20.24 H new ATOM 0 HH TYR A 55 -12.949 12.045 -3.317 1.00 44.31 H new ATOM 777 N LYS A 56 -9.362 5.700 -0.443 1.00 20.43 N ATOM 778 CA LYS A 56 -9.386 4.362 -1.029 1.00 60.13 C ATOM 779 C LYS A 56 -7.984 3.980 -1.477 1.00 60.42 C ATOM 780 O LYS A 56 -7.190 4.872 -1.778 1.00 24.32 O ATOM 781 CB LYS A 56 -10.384 4.313 -2.198 1.00 35.52 C ATOM 782 CG LYS A 56 -10.030 5.250 -3.374 1.00 75.12 C ATOM 783 CD LYS A 56 -11.188 5.368 -4.373 1.00 24.50 C ATOM 784 CE LYS A 56 -11.410 4.028 -5.076 1.00 31.30 C ATOM 785 NZ LYS A 56 -12.525 4.060 -6.037 1.00 72.31 N ATOM 0 H LYS A 56 -8.666 6.322 -0.854 1.00 20.43 H new ATOM 0 HA LYS A 56 -9.716 3.640 -0.283 1.00 60.13 H new ATOM 0 HB2 LYS A 56 -10.442 3.290 -2.569 1.00 35.52 H new ATOM 0 HB3 LYS A 56 -11.375 4.574 -1.826 1.00 35.52 H new ATOM 0 HG2 LYS A 56 -9.779 6.238 -2.989 1.00 75.12 H new ATOM 0 HG3 LYS A 56 -9.145 4.873 -3.886 1.00 75.12 H new ATOM 0 HD2 LYS A 56 -12.097 5.671 -3.854 1.00 24.50 H new ATOM 0 HD3 LYS A 56 -10.968 6.142 -5.108 1.00 24.50 H new ATOM 0 HE2 LYS A 56 -10.497 3.742 -5.597 1.00 31.30 H new ATOM 0 HE3 LYS A 56 -11.604 3.259 -4.328 1.00 31.30 H new ATOM 0 HZ1 LYS A 56 -12.563 3.159 -6.554 1.00 72.31 H new ATOM 0 HZ2 LYS A 56 -13.419 4.204 -5.526 1.00 72.31 H new ATOM 0 HZ3 LYS A 56 -12.381 4.840 -6.710 1.00 72.31 H new ATOM 795 N MET A 57 -7.681 2.687 -1.535 1.00 74.31 N ATOM 796 CA MET A 57 -6.379 2.202 -1.946 1.00 15.03 C ATOM 797 C MET A 57 -6.538 0.783 -2.470 1.00 35.20 C ATOM 798 O MET A 57 -6.944 -0.109 -1.732 1.00 51.44 O ATOM 799 CB MET A 57 -5.410 2.243 -0.751 1.00 54.15 C ATOM 800 CG MET A 57 -3.990 1.854 -1.172 1.00 33.31 C ATOM 801 SD MET A 57 -3.190 3.002 -2.317 1.00 55.24 S ATOM 802 CE MET A 57 -2.775 4.311 -1.128 1.00 71.24 C ATOM 0 H MET A 57 -8.340 1.946 -1.296 1.00 74.31 H new ATOM 0 HA MET A 57 -5.967 2.832 -2.735 1.00 15.03 H new ATOM 0 HB2 MET A 57 -5.402 3.244 -0.321 1.00 54.15 H new ATOM 0 HB3 MET A 57 -5.760 1.564 0.027 1.00 54.15 H new ATOM 0 HG2 MET A 57 -3.373 1.768 -0.278 1.00 33.31 H new ATOM 0 HG3 MET A 57 -4.022 0.867 -1.634 1.00 33.31 H new ATOM 0 HE1 MET A 57 -2.174 5.074 -1.622 1.00 71.24 H new ATOM 0 HE2 MET A 57 -3.692 4.761 -0.747 1.00 71.24 H new ATOM 0 HE3 MET A 57 -2.209 3.884 -0.300 1.00 71.24 H new ATOM 810 N ASP A 58 -6.163 0.551 -3.718 1.00 12.32 N ATOM 811 CA ASP A 58 -6.193 -0.756 -4.353 1.00 21.24 C ATOM 812 C ASP A 58 -4.749 -1.181 -4.508 1.00 35.10 C ATOM 813 O ASP A 58 -4.030 -0.678 -5.370 1.00 60.55 O ATOM 814 CB ASP A 58 -6.898 -0.723 -5.709 1.00 55.01 C ATOM 815 CG ASP A 58 -8.406 -0.896 -5.610 1.00 2.12 C ATOM 816 OD1 ASP A 58 -9.025 -0.363 -4.665 1.00 35.44 O ATOM 817 OD2 ASP A 58 -8.987 -1.450 -6.570 1.00 33.14 O ATOM 0 H ASP A 58 -5.820 1.288 -4.334 1.00 12.32 H new ATOM 0 HA ASP A 58 -6.759 -1.461 -3.744 1.00 21.24 H new ATOM 0 HB2 ASP A 58 -6.680 0.225 -6.201 1.00 55.01 H new ATOM 0 HB3 ASP A 58 -6.490 -1.511 -6.342 1.00 55.01 H new ATOM 821 N VAL A 59 -4.272 -2.047 -3.618 1.00 75.22 N ATOM 822 CA VAL A 59 -2.932 -2.630 -3.711 1.00 24.54 C ATOM 823 C VAL A 59 -3.000 -3.892 -4.581 1.00 71.31 C ATOM 824 O VAL A 59 -3.999 -4.619 -4.535 1.00 44.35 O ATOM 825 CB VAL A 59 -2.415 -2.993 -2.305 1.00 72.13 C ATOM 826 CG1 VAL A 59 -0.902 -3.242 -2.366 1.00 51.33 C ATOM 827 CG2 VAL A 59 -2.693 -1.890 -1.270 1.00 62.54 C ATOM 0 H VAL A 59 -4.804 -2.367 -2.808 1.00 75.22 H new ATOM 0 HA VAL A 59 -2.249 -1.908 -4.158 1.00 24.54 H new ATOM 0 HB VAL A 59 -2.948 -3.890 -1.989 1.00 72.13 H new ATOM 0 HG11 VAL A 59 -0.535 -3.499 -1.372 1.00 51.33 H new ATOM 0 HG12 VAL A 59 -0.696 -4.063 -3.052 1.00 51.33 H new ATOM 0 HG13 VAL A 59 -0.399 -2.341 -2.717 1.00 51.33 H new ATOM 0 HG21 VAL A 59 -2.308 -2.198 -0.298 1.00 62.54 H new ATOM 0 HG22 VAL A 59 -2.201 -0.968 -1.580 1.00 62.54 H new ATOM 0 HG23 VAL A 59 -3.767 -1.721 -1.198 1.00 62.54 H new ATOM 837 N THR A 60 -1.996 -4.126 -5.420 1.00 4.10 N ATOM 838 CA THR A 60 -1.913 -5.328 -6.222 1.00 15.22 C ATOM 839 C THR A 60 -0.431 -5.555 -6.503 1.00 31.43 C ATOM 840 O THR A 60 0.217 -4.713 -7.118 1.00 23.53 O ATOM 841 CB THR A 60 -2.823 -5.163 -7.460 1.00 20.44 C ATOM 842 OG1 THR A 60 -2.572 -6.150 -8.443 1.00 73.12 O ATOM 843 CG2 THR A 60 -2.740 -3.780 -8.089 1.00 74.34 C ATOM 0 H THR A 60 -1.218 -3.481 -5.559 1.00 4.10 H new ATOM 0 HA THR A 60 -2.284 -6.227 -5.730 1.00 15.22 H new ATOM 0 HB THR A 60 -3.837 -5.292 -7.081 1.00 20.44 H new ATOM 0 HG1 THR A 60 -3.169 -6.010 -9.207 1.00 73.12 H new ATOM 0 HG21 THR A 60 -3.403 -3.733 -8.953 1.00 74.34 H new ATOM 0 HG22 THR A 60 -3.041 -3.029 -7.358 1.00 74.34 H new ATOM 0 HG23 THR A 60 -1.716 -3.586 -8.407 1.00 74.34 H new ATOM 851 N GLY A 61 0.137 -6.677 -6.062 1.00 75.42 N ATOM 852 CA GLY A 61 1.522 -7.000 -6.373 1.00 54.23 C ATOM 853 C GLY A 61 1.695 -8.481 -6.631 1.00 15.30 C ATOM 854 O GLY A 61 0.735 -9.241 -6.513 1.00 15.21 O ATOM 0 H GLY A 61 -0.342 -7.373 -5.490 1.00 75.42 H new ATOM 0 HA2 GLY A 61 1.842 -6.436 -7.249 1.00 54.23 H new ATOM 0 HA3 GLY A 61 2.164 -6.695 -5.546 1.00 54.23 H new ATOM 858 N THR A 62 2.908 -8.898 -6.997 1.00 61.53 N ATOM 859 CA THR A 62 3.280 -10.306 -7.114 1.00 1.10 C ATOM 860 C THR A 62 4.630 -10.552 -6.422 1.00 41.25 C ATOM 861 O THR A 62 5.522 -9.692 -6.426 1.00 74.23 O ATOM 862 CB THR A 62 3.260 -10.746 -8.589 1.00 60.11 C ATOM 863 OG1 THR A 62 2.062 -10.298 -9.204 1.00 61.14 O ATOM 864 CG2 THR A 62 3.338 -12.270 -8.784 1.00 54.14 C ATOM 0 H THR A 62 3.669 -8.257 -7.223 1.00 61.53 H new ATOM 0 HA THR A 62 2.547 -10.928 -6.600 1.00 1.10 H new ATOM 0 HB THR A 62 4.147 -10.304 -9.042 1.00 60.11 H new ATOM 0 HG1 THR A 62 2.052 -10.578 -10.143 1.00 61.14 H new ATOM 0 HG21 THR A 62 3.319 -12.502 -9.849 1.00 54.14 H new ATOM 0 HG22 THR A 62 4.263 -12.646 -8.347 1.00 54.14 H new ATOM 0 HG23 THR A 62 2.487 -12.744 -8.294 1.00 54.14 H new ATOM 872 N THR A 63 4.745 -11.698 -5.758 1.00 11.42 N ATOM 873 CA THR A 63 5.881 -12.118 -4.958 1.00 62.44 C ATOM 874 C THR A 63 6.925 -12.831 -5.806 1.00 62.42 C ATOM 875 O THR A 63 6.716 -13.147 -6.978 1.00 75.13 O ATOM 876 CB THR A 63 5.400 -13.013 -3.797 1.00 41.23 C ATOM 877 OG1 THR A 63 5.127 -14.302 -4.306 1.00 64.25 O ATOM 878 CG2 THR A 63 4.157 -12.507 -3.058 1.00 61.55 C ATOM 0 H THR A 63 4.002 -12.396 -5.767 1.00 11.42 H new ATOM 0 HA THR A 63 6.359 -11.231 -4.542 1.00 62.44 H new ATOM 0 HB THR A 63 6.206 -13.010 -3.063 1.00 41.23 H new ATOM 0 HG1 THR A 63 4.977 -14.922 -3.562 1.00 64.25 H new ATOM 0 HG21 THR A 63 3.899 -13.204 -2.261 1.00 61.55 H new ATOM 0 HG22 THR A 63 4.363 -11.526 -2.630 1.00 61.55 H new ATOM 0 HG23 THR A 63 3.324 -12.430 -3.757 1.00 61.55 H new ATOM 886 N GLN A 64 8.067 -13.120 -5.187 1.00 20.13 N ATOM 887 CA GLN A 64 9.123 -13.964 -5.712 1.00 2.41 C ATOM 888 C GLN A 64 8.596 -15.328 -6.169 1.00 52.04 C ATOM 889 O GLN A 64 8.969 -15.780 -7.252 1.00 61.23 O ATOM 890 CB GLN A 64 10.205 -14.062 -4.637 1.00 34.54 C ATOM 891 CG GLN A 64 11.455 -14.789 -5.132 1.00 73.21 C ATOM 892 CD GLN A 64 11.404 -16.299 -4.915 1.00 23.32 C ATOM 893 OE1 GLN A 64 11.383 -17.072 -5.866 1.00 4.22 O ATOM 894 NE2 GLN A 64 11.347 -16.739 -3.671 1.00 63.24 N ATOM 0 H GLN A 64 8.286 -12.751 -4.261 1.00 20.13 H new ATOM 0 HA GLN A 64 9.551 -13.526 -6.614 1.00 2.41 H new ATOM 0 HB2 GLN A 64 10.478 -13.059 -4.308 1.00 34.54 H new ATOM 0 HB3 GLN A 64 9.804 -14.585 -3.769 1.00 34.54 H new ATOM 0 HG2 GLN A 64 11.587 -14.586 -6.195 1.00 73.21 H new ATOM 0 HG3 GLN A 64 12.328 -14.385 -4.620 1.00 73.21 H new ATOM 0 HE21 GLN A 64 11.366 -16.078 -2.895 1.00 63.24 H new ATOM 0 HE22 GLN A 64 11.284 -17.740 -3.487 1.00 63.24 H new ATOM 901 N SER A 65 7.697 -15.946 -5.399 1.00 0.34 N ATOM 902 CA SER A 65 7.126 -17.251 -5.736 1.00 34.34 C ATOM 903 C SER A 65 6.194 -17.150 -6.955 1.00 13.20 C ATOM 904 O SER A 65 5.793 -18.173 -7.505 1.00 55.15 O ATOM 905 CB SER A 65 6.381 -17.793 -4.506 1.00 44.14 C ATOM 906 OG SER A 65 6.152 -19.193 -4.539 1.00 2.33 O ATOM 0 H SER A 65 7.345 -15.555 -4.525 1.00 0.34 H new ATOM 0 HA SER A 65 7.925 -17.941 -6.007 1.00 34.34 H new ATOM 0 HB2 SER A 65 6.954 -17.550 -3.611 1.00 44.14 H new ATOM 0 HB3 SER A 65 5.423 -17.281 -4.420 1.00 44.14 H new ATOM 0 HG SER A 65 5.677 -19.466 -3.727 1.00 2.33 H new ATOM 911 N GLY A 66 5.835 -15.941 -7.403 1.00 62.42 N ATOM 912 CA GLY A 66 4.827 -15.745 -8.428 1.00 13.14 C ATOM 913 C GLY A 66 3.420 -15.775 -7.836 1.00 73.21 C ATOM 914 O GLY A 66 2.458 -15.991 -8.579 1.00 55.42 O ATOM 0 H GLY A 66 6.243 -15.073 -7.057 1.00 62.42 H new ATOM 0 HA2 GLY A 66 4.994 -14.790 -8.927 1.00 13.14 H new ATOM 0 HA3 GLY A 66 4.921 -16.522 -9.187 1.00 13.14 H new ATOM 918 N GLU A 67 3.272 -15.583 -6.521 1.00 60.44 N ATOM 919 CA GLU A 67 1.961 -15.393 -5.916 1.00 75.34 C ATOM 920 C GLU A 67 1.554 -13.951 -6.088 1.00 33.12 C ATOM 921 O GLU A 67 2.344 -13.042 -5.860 1.00 55.04 O ATOM 922 CB GLU A 67 1.960 -15.730 -4.420 1.00 63.23 C ATOM 923 CG GLU A 67 2.014 -17.233 -4.167 1.00 24.13 C ATOM 924 CD GLU A 67 2.577 -17.532 -2.778 1.00 33.14 C ATOM 925 OE1 GLU A 67 1.861 -17.387 -1.768 1.00 14.02 O ATOM 926 OE2 GLU A 67 3.773 -17.889 -2.700 1.00 35.33 O ATOM 0 H GLU A 67 4.048 -15.556 -5.860 1.00 60.44 H new ATOM 0 HA GLU A 67 1.261 -16.066 -6.412 1.00 75.34 H new ATOM 0 HB2 GLU A 67 2.815 -15.252 -3.941 1.00 63.23 H new ATOM 0 HB3 GLU A 67 1.063 -15.318 -3.957 1.00 63.23 H new ATOM 0 HG2 GLU A 67 1.014 -17.657 -4.258 1.00 24.13 H new ATOM 0 HG3 GLU A 67 2.633 -17.712 -4.926 1.00 24.13 H new ATOM 931 N LYS A 68 0.324 -13.736 -6.516 1.00 13.04 N ATOM 932 CA LYS A 68 -0.273 -12.434 -6.658 1.00 22.30 C ATOM 933 C LYS A 68 -1.135 -12.195 -5.433 1.00 14.32 C ATOM 934 O LYS A 68 -1.810 -13.104 -4.957 1.00 72.41 O ATOM 935 CB LYS A 68 -1.056 -12.424 -7.967 1.00 14.33 C ATOM 936 CG LYS A 68 -1.648 -11.048 -8.249 1.00 14.10 C ATOM 937 CD LYS A 68 -2.085 -10.965 -9.710 1.00 32.54 C ATOM 938 CE LYS A 68 -3.029 -9.783 -9.924 1.00 13.31 C ATOM 939 NZ LYS A 68 -3.788 -9.945 -11.174 1.00 12.23 N ATOM 0 H LYS A 68 -0.304 -14.495 -6.782 1.00 13.04 H new ATOM 0 HA LYS A 68 0.456 -11.625 -6.711 1.00 22.30 H new ATOM 0 HB2 LYS A 68 -0.400 -12.715 -8.788 1.00 14.33 H new ATOM 0 HB3 LYS A 68 -1.855 -13.163 -7.920 1.00 14.33 H new ATOM 0 HG2 LYS A 68 -2.500 -10.867 -7.594 1.00 14.10 H new ATOM 0 HG3 LYS A 68 -0.911 -10.274 -8.035 1.00 14.10 H new ATOM 0 HD2 LYS A 68 -1.210 -10.859 -10.351 1.00 32.54 H new ATOM 0 HD3 LYS A 68 -2.582 -11.891 -9.999 1.00 32.54 H new ATOM 0 HE2 LYS A 68 -3.717 -9.703 -9.082 1.00 13.31 H new ATOM 0 HE3 LYS A 68 -2.457 -8.856 -9.957 1.00 13.31 H new ATOM 0 HZ1 LYS A 68 -4.424 -9.132 -11.302 1.00 12.23 H new ATOM 0 HZ2 LYS A 68 -3.128 -9.998 -11.976 1.00 12.23 H new ATOM 0 HZ3 LYS A 68 -4.349 -10.820 -11.129 1.00 12.23 H new ATOM 949 N PHE A 69 -1.104 -10.974 -4.921 1.00 0.01 N ATOM 950 CA PHE A 69 -1.841 -10.557 -3.734 1.00 43.34 C ATOM 951 C PHE A 69 -2.491 -9.210 -4.033 1.00 2.13 C ATOM 952 O PHE A 69 -1.840 -8.354 -4.649 1.00 0.03 O ATOM 953 CB PHE A 69 -0.876 -10.507 -2.534 1.00 4.20 C ATOM 954 CG PHE A 69 0.341 -9.599 -2.688 1.00 43.25 C ATOM 955 CD1 PHE A 69 1.458 -10.010 -3.439 1.00 13.13 C ATOM 956 CD2 PHE A 69 0.352 -8.326 -2.094 1.00 40.22 C ATOM 957 CE1 PHE A 69 2.540 -9.131 -3.628 1.00 63.12 C ATOM 958 CE2 PHE A 69 1.413 -7.429 -2.322 1.00 42.43 C ATOM 959 CZ PHE A 69 2.519 -7.837 -3.084 1.00 14.32 C ATOM 0 H PHE A 69 -0.549 -10.222 -5.331 1.00 0.01 H new ATOM 0 HA PHE A 69 -2.631 -11.262 -3.475 1.00 43.34 H new ATOM 0 HB2 PHE A 69 -1.436 -10.184 -1.657 1.00 4.20 H new ATOM 0 HB3 PHE A 69 -0.525 -11.519 -2.333 1.00 4.20 H new ATOM 0 HD1 PHE A 69 1.485 -11.000 -3.870 1.00 13.13 H new ATOM 0 HD2 PHE A 69 -0.466 -8.031 -1.453 1.00 40.22 H new ATOM 0 HE1 PHE A 69 3.397 -9.456 -4.199 1.00 63.12 H new ATOM 0 HE2 PHE A 69 1.376 -6.431 -1.912 1.00 42.43 H new ATOM 0 HZ PHE A 69 3.346 -7.162 -3.250 1.00 14.32 H new ATOM 968 N THR A 70 -3.730 -8.980 -3.587 1.00 1.43 N ATOM 969 CA THR A 70 -4.418 -7.701 -3.734 1.00 73.34 C ATOM 970 C THR A 70 -5.083 -7.244 -2.435 1.00 12.30 C ATOM 971 O THR A 70 -5.414 -8.068 -1.588 1.00 63.44 O ATOM 972 CB THR A 70 -5.450 -7.731 -4.865 1.00 44.22 C ATOM 973 OG1 THR A 70 -6.439 -8.725 -4.686 1.00 24.42 O ATOM 974 CG2 THR A 70 -4.866 -7.911 -6.262 1.00 31.54 C ATOM 0 H THR A 70 -4.287 -9.688 -3.108 1.00 1.43 H new ATOM 0 HA THR A 70 -3.645 -6.977 -3.991 1.00 73.34 H new ATOM 0 HB THR A 70 -5.893 -6.737 -4.802 1.00 44.22 H new ATOM 0 HG1 THR A 70 -7.070 -8.697 -5.435 1.00 24.42 H new ATOM 0 HG21 THR A 70 -5.673 -7.920 -6.995 1.00 31.54 H new ATOM 0 HG22 THR A 70 -4.186 -7.088 -6.481 1.00 31.54 H new ATOM 0 HG23 THR A 70 -4.322 -8.854 -6.310 1.00 31.54 H new ATOM 982 N GLY A 71 -5.289 -5.927 -2.307 1.00 22.42 N ATOM 983 CA GLY A 71 -5.880 -5.302 -1.132 1.00 20.33 C ATOM 984 C GLY A 71 -7.352 -4.959 -1.326 1.00 34.40 C ATOM 985 O GLY A 71 -8.210 -5.568 -0.700 1.00 33.42 O ATOM 0 H GLY A 71 -5.042 -5.258 -3.036 1.00 22.42 H new ATOM 0 HA2 GLY A 71 -5.777 -5.972 -0.278 1.00 20.33 H new ATOM 0 HA3 GLY A 71 -5.328 -4.393 -0.892 1.00 20.33 H new ATOM 989 N HIS A 72 -7.646 -4.005 -2.212 1.00 2.12 N ATOM 990 CA HIS A 72 -8.938 -3.350 -2.433 1.00 23.24 C ATOM 991 C HIS A 72 -9.527 -2.806 -1.122 1.00 41.24 C ATOM 992 O HIS A 72 -10.160 -3.532 -0.354 1.00 63.21 O ATOM 993 CB HIS A 72 -9.903 -4.254 -3.225 1.00 43.43 C ATOM 994 CG HIS A 72 -9.330 -4.814 -4.508 1.00 60.52 C ATOM 995 ND1 HIS A 72 -9.291 -4.172 -5.728 1.00 51.24 N ATOM 996 CD2 HIS A 72 -8.726 -6.035 -4.663 1.00 21.24 C ATOM 997 CE1 HIS A 72 -8.663 -4.988 -6.590 1.00 52.35 C ATOM 998 NE2 HIS A 72 -8.261 -6.112 -5.982 1.00 2.22 N ATOM 0 H HIS A 72 -6.931 -3.642 -2.843 1.00 2.12 H new ATOM 0 HA HIS A 72 -8.774 -2.476 -3.063 1.00 23.24 H new ATOM 0 HB2 HIS A 72 -10.210 -5.083 -2.587 1.00 43.43 H new ATOM 0 HB3 HIS A 72 -10.802 -3.685 -3.462 1.00 43.43 H new ATOM 0 HD1 HIS A 72 -9.669 -3.248 -5.937 1.00 51.24 H new ATOM 0 HD2 HIS A 72 -8.627 -6.799 -3.906 1.00 21.24 H new ATOM 0 HE1 HIS A 72 -8.503 -4.767 -7.635 1.00 52.35 H new ATOM 1005 N PHE A 73 -9.269 -1.529 -0.832 1.00 75.23 N ATOM 1006 CA PHE A 73 -9.667 -0.877 0.409 1.00 22.23 C ATOM 1007 C PHE A 73 -10.410 0.416 0.127 1.00 11.10 C ATOM 1008 O PHE A 73 -10.028 1.178 -0.771 1.00 21.12 O ATOM 1009 CB PHE A 73 -8.437 -0.541 1.256 1.00 4.03 C ATOM 1010 CG PHE A 73 -7.527 -1.705 1.573 1.00 71.32 C ATOM 1011 CD1 PHE A 73 -7.982 -2.730 2.419 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -6.209 -1.726 1.079 1.00 2.21 C ATOM 1013 CE1 PHE A 73 -7.105 -3.759 2.801 1.00 22.30 C ATOM 1014 CE2 PHE A 73 -5.332 -2.751 1.470 1.00 31.32 C ATOM 1015 CZ PHE A 73 -5.784 -3.761 2.333 1.00 31.33 C ATOM 0 H PHE A 73 -8.767 -0.910 -1.469 1.00 75.23 H new ATOM 0 HA PHE A 73 -10.317 -1.568 0.945 1.00 22.23 H new ATOM 0 HB2 PHE A 73 -7.856 0.220 0.735 1.00 4.03 H new ATOM 0 HB3 PHE A 73 -8.773 -0.099 2.194 1.00 4.03 H new ATOM 0 HD1 PHE A 73 -9.002 -2.727 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.873 -0.956 0.401 1.00 2.21 H new ATOM 0 HE1 PHE A 73 -7.448 -4.547 3.454 1.00 22.30 H new ATOM 0 HE2 PHE A 73 -4.314 -2.762 1.108 1.00 31.32 H new ATOM 0 HZ PHE A 73 -5.108 -4.546 2.639 1.00 31.33 H new ATOM 1024 N LYS A 74 -11.388 0.720 0.977 1.00 33.44 N ATOM 1025 CA LYS A 74 -12.152 1.966 0.979 1.00 2.30 C ATOM 1026 C LYS A 74 -12.311 2.447 2.421 1.00 42.04 C ATOM 1027 O LYS A 74 -11.903 1.759 3.362 1.00 63.24 O ATOM 1028 CB LYS A 74 -13.509 1.730 0.285 1.00 40.15 C ATOM 1029 CG LYS A 74 -13.365 1.673 -1.247 1.00 12.22 C ATOM 1030 CD LYS A 74 -14.665 1.253 -1.954 1.00 23.44 C ATOM 1031 CE LYS A 74 -15.051 2.266 -3.038 1.00 24.42 C ATOM 1032 NZ LYS A 74 -16.108 1.744 -3.926 1.00 54.15 N ATOM 0 H LYS A 74 -11.682 0.079 1.714 1.00 33.44 H new ATOM 0 HA LYS A 74 -11.631 2.746 0.423 1.00 2.30 H new ATOM 0 HB2 LYS A 74 -13.944 0.797 0.644 1.00 40.15 H new ATOM 0 HB3 LYS A 74 -14.200 2.529 0.556 1.00 40.15 H new ATOM 0 HG2 LYS A 74 -13.057 2.652 -1.615 1.00 12.22 H new ATOM 0 HG3 LYS A 74 -12.573 0.971 -1.507 1.00 12.22 H new ATOM 0 HD2 LYS A 74 -14.538 0.267 -2.401 1.00 23.44 H new ATOM 0 HD3 LYS A 74 -15.470 1.171 -1.224 1.00 23.44 H new ATOM 0 HE2 LYS A 74 -15.394 3.188 -2.568 1.00 24.42 H new ATOM 0 HE3 LYS A 74 -14.171 2.518 -3.630 1.00 24.42 H new ATOM 0 HZ1 LYS A 74 -16.341 2.458 -4.645 1.00 54.15 H new ATOM 0 HZ2 LYS A 74 -15.772 0.878 -4.394 1.00 54.15 H new ATOM 0 HZ3 LYS A 74 -16.957 1.527 -3.365 1.00 54.15 H new ATOM 1042 N GLY A 75 -12.888 3.636 2.582 1.00 43.23 N ATOM 1043 CA GLY A 75 -13.231 4.192 3.877 1.00 41.13 C ATOM 1044 C GLY A 75 -12.033 4.733 4.650 1.00 75.32 C ATOM 1045 O GLY A 75 -12.070 4.795 5.880 1.00 63.11 O ATOM 0 H GLY A 75 -13.132 4.245 1.801 1.00 43.23 H new ATOM 0 HA2 GLY A 75 -13.955 4.995 3.737 1.00 41.13 H new ATOM 0 HA3 GLY A 75 -13.720 3.423 4.475 1.00 41.13 H new ATOM 1049 N LEU A 76 -10.959 5.097 3.948 1.00 75.54 N ATOM 1050 CA LEU A 76 -9.715 5.509 4.585 1.00 21.50 C ATOM 1051 C LEU A 76 -9.804 6.980 4.996 1.00 34.31 C ATOM 1052 O LEU A 76 -10.560 7.751 4.393 1.00 23.11 O ATOM 1053 CB LEU A 76 -8.532 5.255 3.633 1.00 74.53 C ATOM 1054 CG LEU A 76 -8.439 3.813 3.088 1.00 35.34 C ATOM 1055 CD1 LEU A 76 -7.285 3.668 2.093 1.00 71.14 C ATOM 1056 CD2 LEU A 76 -8.250 2.780 4.197 1.00 11.02 C ATOM 0 H LEU A 76 -10.930 5.113 2.929 1.00 75.54 H new ATOM 0 HA LEU A 76 -9.550 4.920 5.487 1.00 21.50 H new ATOM 0 HB2 LEU A 76 -8.607 5.943 2.791 1.00 74.53 H new ATOM 0 HB3 LEU A 76 -7.605 5.491 4.156 1.00 74.53 H new ATOM 0 HG LEU A 76 -9.390 3.624 2.589 1.00 35.34 H new ATOM 0 HD11 LEU A 76 -7.246 2.642 1.728 1.00 71.14 H new ATOM 0 HD12 LEU A 76 -7.441 4.346 1.254 1.00 71.14 H new ATOM 0 HD13 LEU A 76 -6.345 3.913 2.588 1.00 71.14 H new ATOM 0 HD21 LEU A 76 -8.191 1.783 3.760 1.00 11.02 H new ATOM 0 HD22 LEU A 76 -7.329 2.993 4.740 1.00 11.02 H new ATOM 0 HD23 LEU A 76 -9.095 2.825 4.884 1.00 11.02 H new ATOM 1067 N VAL A 77 -8.994 7.397 5.970 1.00 0.41 N ATOM 1068 CA VAL A 77 -8.902 8.768 6.492 1.00 63.44 C ATOM 1069 C VAL A 77 -7.454 9.099 6.862 1.00 1.23 C ATOM 1070 O VAL A 77 -6.564 8.250 6.724 1.00 75.11 O ATOM 1071 CB VAL A 77 -9.855 8.985 7.694 1.00 11.10 C ATOM 1072 CG1 VAL A 77 -11.288 9.214 7.211 1.00 53.15 C ATOM 1073 CG2 VAL A 77 -9.801 7.845 8.719 1.00 51.43 C ATOM 0 H VAL A 77 -8.352 6.760 6.441 1.00 0.41 H new ATOM 0 HA VAL A 77 -9.220 9.452 5.706 1.00 63.44 H new ATOM 0 HB VAL A 77 -9.506 9.879 8.210 1.00 11.10 H new ATOM 0 HG11 VAL A 77 -11.942 9.364 8.070 1.00 53.15 H new ATOM 0 HG12 VAL A 77 -11.320 10.096 6.572 1.00 53.15 H new ATOM 0 HG13 VAL A 77 -11.625 8.345 6.646 1.00 53.15 H new ATOM 0 HG21 VAL A 77 -10.491 8.057 9.536 1.00 51.43 H new ATOM 0 HG22 VAL A 77 -10.085 6.909 8.238 1.00 51.43 H new ATOM 0 HG23 VAL A 77 -8.788 7.757 9.113 1.00 51.43 H new ATOM 1083 N GLY A 78 -7.219 10.337 7.309 1.00 24.20 N ATOM 1084 CA GLY A 78 -5.913 10.857 7.671 1.00 23.54 C ATOM 1085 C GLY A 78 -5.167 11.364 6.439 1.00 73.24 C ATOM 1086 O GLY A 78 -5.608 11.152 5.302 1.00 44.03 O ATOM 0 H GLY A 78 -7.965 11.022 7.430 1.00 24.20 H new ATOM 0 HA2 GLY A 78 -6.027 11.667 8.391 1.00 23.54 H new ATOM 0 HA3 GLY A 78 -5.329 10.077 8.159 1.00 23.54 H new ATOM 1090 N LYS A 79 -4.042 12.050 6.648 1.00 51.24 N ATOM 1091 CA LYS A 79 -3.162 12.556 5.601 1.00 22.35 C ATOM 1092 C LYS A 79 -2.040 11.582 5.219 1.00 12.21 C ATOM 1093 O LYS A 79 -1.167 11.935 4.418 1.00 64.23 O ATOM 1094 CB LYS A 79 -2.586 13.906 6.042 1.00 2.24 C ATOM 1095 CG LYS A 79 -2.509 14.831 4.828 1.00 51.21 C ATOM 1096 CD LYS A 79 -1.842 16.151 5.199 1.00 3.14 C ATOM 1097 CE LYS A 79 -2.286 17.191 4.181 1.00 12.31 C ATOM 1098 NZ LYS A 79 -1.686 18.513 4.446 1.00 3.05 N ATOM 0 H LYS A 79 -3.710 12.275 7.586 1.00 51.24 H new ATOM 0 HA LYS A 79 -3.762 12.676 4.699 1.00 22.35 H new ATOM 0 HB2 LYS A 79 -3.214 14.350 6.815 1.00 2.24 H new ATOM 0 HB3 LYS A 79 -1.595 13.770 6.476 1.00 2.24 H new ATOM 0 HG2 LYS A 79 -1.948 14.346 4.030 1.00 51.21 H new ATOM 0 HG3 LYS A 79 -3.511 15.019 4.444 1.00 51.21 H new ATOM 0 HD2 LYS A 79 -2.127 16.455 6.206 1.00 3.14 H new ATOM 0 HD3 LYS A 79 -0.757 16.047 5.193 1.00 3.14 H new ATOM 0 HE2 LYS A 79 -2.008 16.861 3.180 1.00 12.31 H new ATOM 0 HE3 LYS A 79 -3.373 17.275 4.199 1.00 12.31 H new ATOM 0 HZ1 LYS A 79 -2.014 19.193 3.730 1.00 3.05 H new ATOM 0 HZ2 LYS A 79 -1.971 18.841 5.391 1.00 3.05 H new ATOM 0 HZ3 LYS A 79 -0.650 18.439 4.404 1.00 3.05 H new ATOM 1108 N ASP A 80 -2.009 10.386 5.791 1.00 72.54 N ATOM 1109 CA ASP A 80 -1.151 9.308 5.323 1.00 3.21 C ATOM 1110 C ASP A 80 -1.966 8.044 5.126 1.00 52.24 C ATOM 1111 O ASP A 80 -2.971 7.813 5.808 1.00 75.33 O ATOM 1112 CB ASP A 80 0.046 9.028 6.246 1.00 74.42 C ATOM 1113 CG ASP A 80 -0.344 8.664 7.681 1.00 3.10 C ATOM 1114 OD1 ASP A 80 -0.636 7.471 7.958 1.00 63.42 O ATOM 1115 OD2 ASP A 80 -0.412 9.578 8.523 1.00 54.42 O ATOM 0 H ASP A 80 -2.582 10.136 6.597 1.00 72.54 H new ATOM 0 HA ASP A 80 -0.733 9.638 4.372 1.00 3.21 H new ATOM 0 HB2 ASP A 80 0.635 8.214 5.823 1.00 74.42 H new ATOM 0 HB3 ASP A 80 0.688 9.908 6.267 1.00 74.42 H new ATOM 1119 N THR A 81 -1.479 7.215 4.204 1.00 11.43 N ATOM 1120 CA THR A 81 -1.920 5.852 4.000 1.00 2.31 C ATOM 1121 C THR A 81 -0.701 4.940 4.172 1.00 21.53 C ATOM 1122 O THR A 81 0.440 5.370 3.963 1.00 40.34 O ATOM 1123 CB THR A 81 -2.570 5.694 2.610 1.00 62.15 C ATOM 1124 OG1 THR A 81 -3.363 6.797 2.228 1.00 34.21 O ATOM 1125 CG2 THR A 81 -3.538 4.519 2.589 1.00 2.42 C ATOM 0 H THR A 81 -0.739 7.493 3.559 1.00 11.43 H new ATOM 0 HA THR A 81 -2.683 5.577 4.728 1.00 2.31 H new ATOM 0 HB THR A 81 -1.722 5.571 1.936 1.00 62.15 H new ATOM 0 HG1 THR A 81 -3.743 6.634 1.340 1.00 34.21 H new ATOM 0 HG21 THR A 81 -3.982 4.431 1.597 1.00 2.42 H new ATOM 0 HG22 THR A 81 -3.001 3.601 2.829 1.00 2.42 H new ATOM 0 HG23 THR A 81 -4.325 4.683 3.325 1.00 2.42 H new ATOM 1133 N ARG A 82 -0.914 3.669 4.508 1.00 62.13 N ATOM 1134 CA ARG A 82 0.124 2.644 4.436 1.00 63.21 C ATOM 1135 C ARG A 82 -0.412 1.405 3.752 1.00 21.50 C ATOM 1136 O ARG A 82 -1.559 1.387 3.314 1.00 35.31 O ATOM 1137 CB ARG A 82 0.666 2.292 5.831 1.00 42.23 C ATOM 1138 CG ARG A 82 1.038 3.492 6.700 1.00 55.35 C ATOM 1139 CD ARG A 82 1.810 2.998 7.924 1.00 42.21 C ATOM 1140 NE ARG A 82 1.665 3.944 9.030 1.00 32.51 N ATOM 1141 CZ ARG A 82 2.460 4.094 10.089 1.00 62.12 C ATOM 1142 NH1 ARG A 82 3.553 3.349 10.249 1.00 52.31 N ATOM 1143 NH2 ARG A 82 2.119 5.014 10.980 1.00 42.11 N ATOM 0 H ARG A 82 -1.814 3.321 4.839 1.00 62.13 H new ATOM 0 HA ARG A 82 0.951 3.045 3.850 1.00 63.21 H new ATOM 0 HB2 ARG A 82 -0.083 1.700 6.357 1.00 42.23 H new ATOM 0 HB3 ARG A 82 1.547 1.660 5.714 1.00 42.23 H new ATOM 0 HG2 ARG A 82 1.645 4.196 6.131 1.00 55.35 H new ATOM 0 HG3 ARG A 82 0.139 4.025 7.011 1.00 55.35 H new ATOM 0 HD2 ARG A 82 1.441 2.017 8.224 1.00 42.21 H new ATOM 0 HD3 ARG A 82 2.864 2.879 7.674 1.00 42.21 H new ATOM 0 HE ARG A 82 0.857 4.565 8.985 1.00 32.51 H new ATOM 0 HH11 ARG A 82 3.797 2.645 9.552 1.00 52.31 H new ATOM 0 HH12 ARG A 82 4.146 3.483 11.068 1.00 52.31 H new ATOM 0 HH21 ARG A 82 1.277 5.573 10.840 1.00 42.11 H new ATOM 0 HH22 ARG A 82 2.698 5.163 11.806 1.00 42.11 H new ATOM 1154 N VAL A 83 0.421 0.375 3.693 1.00 41.13 N ATOM 1155 CA VAL A 83 0.091 -0.978 3.306 1.00 71.52 C ATOM 1156 C VAL A 83 0.968 -1.860 4.192 1.00 20.22 C ATOM 1157 O VAL A 83 2.195 -1.810 4.071 1.00 52.12 O ATOM 1158 CB VAL A 83 0.398 -1.169 1.815 1.00 73.44 C ATOM 1159 CG1 VAL A 83 0.107 -2.606 1.382 1.00 24.53 C ATOM 1160 CG2 VAL A 83 -0.394 -0.219 0.902 1.00 4.31 C ATOM 0 H VAL A 83 1.408 0.475 3.931 1.00 41.13 H new ATOM 0 HA VAL A 83 -0.963 -1.224 3.436 1.00 71.52 H new ATOM 0 HB VAL A 83 1.457 -0.938 1.704 1.00 73.44 H new ATOM 0 HG11 VAL A 83 0.332 -2.719 0.321 1.00 24.53 H new ATOM 0 HG12 VAL A 83 0.726 -3.292 1.959 1.00 24.53 H new ATOM 0 HG13 VAL A 83 -0.945 -2.833 1.556 1.00 24.53 H new ATOM 0 HG21 VAL A 83 -0.128 -0.408 -0.138 1.00 4.31 H new ATOM 0 HG22 VAL A 83 -1.462 -0.388 1.040 1.00 4.31 H new ATOM 0 HG23 VAL A 83 -0.154 0.814 1.156 1.00 4.31 H new ATOM 1170 N PHE A 84 0.367 -2.615 5.110 1.00 20.52 N ATOM 1171 CA PHE A 84 1.029 -3.698 5.822 1.00 24.43 C ATOM 1172 C PHE A 84 0.796 -4.950 4.986 1.00 64.42 C ATOM 1173 O PHE A 84 -0.291 -5.519 5.004 1.00 63.11 O ATOM 1174 CB PHE A 84 0.472 -3.825 7.258 1.00 14.22 C ATOM 1175 CG PHE A 84 0.811 -2.701 8.238 1.00 54.01 C ATOM 1176 CD1 PHE A 84 1.855 -1.793 7.988 1.00 11.33 C ATOM 1177 CD2 PHE A 84 0.107 -2.580 9.449 1.00 72.34 C ATOM 1178 CE1 PHE A 84 2.197 -0.787 8.908 1.00 43.14 C ATOM 1179 CE2 PHE A 84 0.425 -1.564 10.364 1.00 62.42 C ATOM 1180 CZ PHE A 84 1.474 -0.669 10.103 1.00 63.43 C ATOM 0 H PHE A 84 -0.608 -2.487 5.381 1.00 20.52 H new ATOM 0 HA PHE A 84 2.098 -3.521 5.942 1.00 24.43 H new ATOM 0 HB2 PHE A 84 -0.613 -3.903 7.194 1.00 14.22 H new ATOM 0 HB3 PHE A 84 0.834 -4.762 7.680 1.00 14.22 H new ATOM 0 HD1 PHE A 84 2.409 -1.871 7.064 1.00 11.33 H new ATOM 0 HD2 PHE A 84 -0.687 -3.276 9.678 1.00 72.34 H new ATOM 0 HE1 PHE A 84 3.011 -0.110 8.696 1.00 43.14 H new ATOM 0 HE2 PHE A 84 -0.143 -1.470 11.278 1.00 62.42 H new ATOM 0 HZ PHE A 84 1.722 0.103 10.816 1.00 63.43 H new ATOM 1189 N ILE A 85 1.775 -5.333 4.170 1.00 11.43 N ATOM 1190 CA ILE A 85 1.778 -6.664 3.584 1.00 63.33 C ATOM 1191 C ILE A 85 2.158 -7.578 4.748 1.00 55.11 C ATOM 1192 O ILE A 85 3.215 -7.375 5.347 1.00 42.01 O ATOM 1193 CB ILE A 85 2.747 -6.786 2.385 1.00 20.12 C ATOM 1194 CG1 ILE A 85 2.533 -5.647 1.362 1.00 73.14 C ATOM 1195 CG2 ILE A 85 2.524 -8.146 1.699 1.00 4.12 C ATOM 1196 CD1 ILE A 85 3.542 -5.631 0.206 1.00 3.40 C ATOM 0 H ILE A 85 2.566 -4.746 3.904 1.00 11.43 H new ATOM 0 HA ILE A 85 0.812 -6.927 3.153 1.00 63.33 H new ATOM 0 HB ILE A 85 3.768 -6.710 2.758 1.00 20.12 H new ATOM 0 HG12 ILE A 85 1.528 -5.731 0.949 1.00 73.14 H new ATOM 0 HG13 ILE A 85 2.584 -4.692 1.885 1.00 73.14 H new ATOM 0 HG21 ILE A 85 3.203 -8.242 0.852 1.00 4.12 H new ATOM 0 HG22 ILE A 85 2.717 -8.949 2.411 1.00 4.12 H new ATOM 0 HG23 ILE A 85 1.494 -8.212 1.348 1.00 4.12 H new ATOM 0 HD11 ILE A 85 3.317 -4.800 -0.462 1.00 3.40 H new ATOM 0 HD12 ILE A 85 4.550 -5.513 0.604 1.00 3.40 H new ATOM 0 HD13 ILE A 85 3.477 -6.568 -0.346 1.00 3.40 H new ATOM 1207 N GLU A 86 1.287 -8.519 5.077 1.00 21.54 N ATOM 1208 CA GLU A 86 1.449 -9.596 6.048 1.00 40.01 C ATOM 1209 C GLU A 86 0.479 -10.703 5.607 1.00 1.44 C ATOM 1210 O GLU A 86 -0.321 -10.503 4.686 1.00 53.05 O ATOM 1211 CB GLU A 86 1.192 -9.095 7.490 1.00 75.52 C ATOM 1212 CG GLU A 86 -0.188 -8.459 7.739 1.00 71.22 C ATOM 1213 CD GLU A 86 -0.396 -8.031 9.205 1.00 53.14 C ATOM 1214 OE1 GLU A 86 -0.832 -8.865 10.036 1.00 55.33 O ATOM 1215 OE2 GLU A 86 -0.159 -6.846 9.543 1.00 32.11 O ATOM 0 H GLU A 86 0.369 -8.554 4.635 1.00 21.54 H new ATOM 0 HA GLU A 86 2.469 -9.979 6.072 1.00 40.01 H new ATOM 0 HB2 GLU A 86 1.313 -9.935 8.174 1.00 75.52 H new ATOM 0 HB3 GLU A 86 1.960 -8.364 7.743 1.00 75.52 H new ATOM 0 HG2 GLU A 86 -0.304 -7.589 7.092 1.00 71.22 H new ATOM 0 HG3 GLU A 86 -0.966 -9.170 7.460 1.00 71.22 H new ATOM 1220 N LEU A 87 0.594 -11.885 6.204 1.00 1.33 N ATOM 1221 CA LEU A 87 -0.148 -13.069 5.783 1.00 64.13 C ATOM 1222 C LEU A 87 -1.438 -13.188 6.594 1.00 13.32 C ATOM 1223 O LEU A 87 -1.549 -12.603 7.677 1.00 64.51 O ATOM 1224 CB LEU A 87 0.694 -14.338 5.990 1.00 24.31 C ATOM 1225 CG LEU A 87 2.172 -14.239 5.567 1.00 12.04 C ATOM 1226 CD1 LEU A 87 2.973 -15.341 6.245 1.00 4.34 C ATOM 1227 CD2 LEU A 87 2.335 -14.317 4.048 1.00 63.15 C ATOM 0 H LEU A 87 1.210 -12.050 7.000 1.00 1.33 H new ATOM 0 HA LEU A 87 -0.384 -12.967 4.724 1.00 64.13 H new ATOM 0 HB2 LEU A 87 0.655 -14.609 7.045 1.00 24.31 H new ATOM 0 HB3 LEU A 87 0.231 -15.153 5.434 1.00 24.31 H new ATOM 0 HG LEU A 87 2.550 -13.267 5.883 1.00 12.04 H new ATOM 0 HD11 LEU A 87 4.018 -15.269 5.944 1.00 4.34 H new ATOM 0 HD12 LEU A 87 2.898 -15.232 7.327 1.00 4.34 H new ATOM 0 HD13 LEU A 87 2.577 -16.313 5.950 1.00 4.34 H new ATOM 0 HD21 LEU A 87 3.392 -14.243 3.791 1.00 63.15 H new ATOM 0 HD22 LEU A 87 1.939 -15.267 3.688 1.00 63.15 H new ATOM 0 HD23 LEU A 87 1.790 -13.497 3.581 1.00 63.15 H new ATOM 1238 N ASP A 88 -2.391 -13.999 6.137 1.00 63.32 N ATOM 1239 CA ASP A 88 -3.510 -14.465 6.959 1.00 75.31 C ATOM 1240 C ASP A 88 -4.076 -15.762 6.377 1.00 11.12 C ATOM 1241 O ASP A 88 -3.488 -16.320 5.443 1.00 51.05 O ATOM 1242 CB ASP A 88 -4.590 -13.365 7.106 1.00 54.25 C ATOM 1243 CG ASP A 88 -5.420 -13.516 8.383 1.00 51.02 C ATOM 1244 OD1 ASP A 88 -4.870 -13.976 9.404 1.00 12.10 O ATOM 1245 OD2 ASP A 88 -6.610 -13.141 8.387 1.00 42.03 O ATOM 0 H ASP A 88 -2.410 -14.354 5.181 1.00 63.32 H new ATOM 0 HA ASP A 88 -3.150 -14.680 7.965 1.00 75.31 H new ATOM 0 HB2 ASP A 88 -4.109 -12.387 7.104 1.00 54.25 H new ATOM 0 HB3 ASP A 88 -5.253 -13.395 6.241 1.00 54.25 H new ATOM 1249 N GLU A 89 -5.222 -16.233 6.889 1.00 12.20 N ATOM 1250 CA GLU A 89 -6.080 -17.272 6.315 1.00 54.43 C ATOM 1251 C GLU A 89 -5.478 -18.675 6.453 1.00 74.44 C ATOM 1252 O GLU A 89 -5.950 -19.486 7.246 1.00 40.41 O ATOM 1253 CB GLU A 89 -6.500 -16.932 4.865 1.00 32.53 C ATOM 1254 CG GLU A 89 -6.810 -15.456 4.557 1.00 61.14 C ATOM 1255 CD GLU A 89 -7.886 -14.805 5.436 1.00 13.31 C ATOM 1256 OE1 GLU A 89 -8.641 -15.511 6.144 1.00 52.11 O ATOM 1257 OE2 GLU A 89 -8.091 -13.574 5.329 1.00 24.50 O ATOM 0 H GLU A 89 -5.595 -15.875 7.768 1.00 12.20 H new ATOM 0 HA GLU A 89 -6.996 -17.290 6.905 1.00 54.43 H new ATOM 0 HB2 GLU A 89 -5.704 -17.258 4.196 1.00 32.53 H new ATOM 0 HB3 GLU A 89 -7.383 -17.522 4.621 1.00 32.53 H new ATOM 0 HG2 GLU A 89 -5.889 -14.882 4.657 1.00 61.14 H new ATOM 0 HG3 GLU A 89 -7.122 -15.379 3.515 1.00 61.14 H new ATOM 1262 N ASN A 90 -4.417 -18.954 5.705 1.00 55.35 N ATOM 1263 CA ASN A 90 -3.640 -20.193 5.674 1.00 43.31 C ATOM 1264 C ASN A 90 -2.181 -19.833 5.369 1.00 31.42 C ATOM 1265 O ASN A 90 -1.509 -20.489 4.579 1.00 32.42 O ATOM 1266 CB ASN A 90 -4.234 -21.204 4.671 1.00 53.13 C ATOM 1267 CG ASN A 90 -4.122 -20.792 3.216 1.00 73.45 C ATOM 1268 OD1 ASN A 90 -3.581 -21.502 2.375 1.00 61.55 O ATOM 1269 ND2 ASN A 90 -4.727 -19.690 2.835 1.00 41.14 N ATOM 0 H ASN A 90 -4.046 -18.265 5.051 1.00 55.35 H new ATOM 0 HA ASN A 90 -3.681 -20.692 6.642 1.00 43.31 H new ATOM 0 HB2 ASN A 90 -3.733 -22.163 4.803 1.00 53.13 H new ATOM 0 HB3 ASN A 90 -5.286 -21.358 4.911 1.00 53.13 H new ATOM 0 HD21 ASN A 90 -4.744 -19.432 1.848 1.00 41.14 H new ATOM 0 HD22 ASN A 90 -5.180 -19.092 3.526 1.00 41.14 H new ATOM 1275 N ALA A 91 -1.718 -18.736 5.979 1.00 43.11 N ATOM 1276 CA ALA A 91 -0.469 -18.057 5.675 1.00 22.53 C ATOM 1277 C ALA A 91 -0.321 -17.769 4.167 1.00 20.54 C ATOM 1278 O ALA A 91 0.780 -17.855 3.617 1.00 4.42 O ATOM 1279 CB ALA A 91 0.694 -18.842 6.294 1.00 71.55 C ATOM 0 H ALA A 91 -2.234 -18.282 6.733 1.00 43.11 H new ATOM 0 HA ALA A 91 -0.463 -17.067 6.131 1.00 22.53 H new ATOM 0 HB1 ALA A 91 1.634 -18.338 6.069 1.00 71.55 H new ATOM 0 HB2 ALA A 91 0.561 -18.898 7.374 1.00 71.55 H new ATOM 0 HB3 ALA A 91 0.715 -19.850 5.879 1.00 71.55 H new ATOM 1285 N ASP A 92 -1.430 -17.430 3.496 1.00 2.12 N ATOM 1286 CA ASP A 92 -1.403 -16.881 2.135 1.00 51.12 C ATOM 1287 C ASP A 92 -1.151 -15.396 2.253 1.00 2.40 C ATOM 1288 O ASP A 92 -1.432 -14.786 3.289 1.00 61.41 O ATOM 1289 CB ASP A 92 -2.742 -17.000 1.390 1.00 31.51 C ATOM 1290 CG ASP A 92 -2.856 -18.217 0.468 1.00 4.13 C ATOM 1291 OD1 ASP A 92 -1.872 -18.552 -0.230 1.00 21.34 O ATOM 1292 OD2 ASP A 92 -3.966 -18.772 0.301 1.00 22.24 O ATOM 0 H ASP A 92 -2.369 -17.529 3.881 1.00 2.12 H new ATOM 0 HA ASP A 92 -0.643 -17.439 1.588 1.00 51.12 H new ATOM 0 HB2 ASP A 92 -3.548 -17.040 2.123 1.00 31.51 H new ATOM 0 HB3 ASP A 92 -2.894 -16.097 0.798 1.00 31.51 H new ATOM 1296 N VAL A 93 -0.720 -14.788 1.153 1.00 12.02 N ATOM 1297 CA VAL A 93 -0.448 -13.374 1.149 1.00 55.45 C ATOM 1298 C VAL A 93 -1.745 -12.584 0.989 1.00 2.23 C ATOM 1299 O VAL A 93 -2.345 -12.580 -0.088 1.00 62.35 O ATOM 1300 CB VAL A 93 0.610 -13.030 0.086 1.00 43.21 C ATOM 1301 CG1 VAL A 93 1.100 -11.589 0.281 1.00 52.23 C ATOM 1302 CG2 VAL A 93 1.806 -13.993 0.148 1.00 13.14 C ATOM 0 H VAL A 93 -0.555 -15.258 0.263 1.00 12.02 H new ATOM 0 HA VAL A 93 -0.023 -13.082 2.109 1.00 55.45 H new ATOM 0 HB VAL A 93 0.142 -13.131 -0.893 1.00 43.21 H new ATOM 0 HG11 VAL A 93 1.849 -11.354 -0.476 1.00 52.23 H new ATOM 0 HG12 VAL A 93 0.259 -10.903 0.185 1.00 52.23 H new ATOM 0 HG13 VAL A 93 1.541 -11.486 1.272 1.00 52.23 H new ATOM 0 HG21 VAL A 93 2.533 -13.720 -0.617 1.00 13.14 H new ATOM 0 HG22 VAL A 93 2.273 -13.931 1.131 1.00 13.14 H new ATOM 0 HG23 VAL A 93 1.462 -15.012 -0.026 1.00 13.14 H new ATOM 1312 N GLN A 94 -2.160 -11.934 2.076 1.00 62.21 N ATOM 1313 CA GLN A 94 -3.257 -10.982 2.101 1.00 35.41 C ATOM 1314 C GLN A 94 -2.669 -9.565 2.031 1.00 20.32 C ATOM 1315 O GLN A 94 -1.498 -9.382 1.680 1.00 31.53 O ATOM 1316 CB GLN A 94 -4.087 -11.198 3.377 1.00 35.32 C ATOM 1317 CG GLN A 94 -4.694 -12.594 3.555 1.00 22.30 C ATOM 1318 CD GLN A 94 -5.403 -13.151 2.326 1.00 4.04 C ATOM 1319 OE1 GLN A 94 -6.510 -12.734 1.982 1.00 33.23 O ATOM 1320 NE2 GLN A 94 -4.800 -14.127 1.667 1.00 74.21 N ATOM 0 H GLN A 94 -1.725 -12.063 2.989 1.00 62.21 H new ATOM 0 HA GLN A 94 -3.922 -11.123 1.249 1.00 35.41 H new ATOM 0 HB2 GLN A 94 -3.454 -10.986 4.239 1.00 35.32 H new ATOM 0 HB3 GLN A 94 -4.896 -10.468 3.389 1.00 35.32 H new ATOM 0 HG2 GLN A 94 -3.901 -13.284 3.842 1.00 22.30 H new ATOM 0 HG3 GLN A 94 -5.404 -12.562 4.382 1.00 22.30 H new ATOM 0 HE21 GLN A 94 -3.883 -14.456 1.970 1.00 74.21 H new ATOM 0 HE22 GLN A 94 -5.252 -14.550 0.856 1.00 74.21 H new ATOM 1327 N VAL A 95 -3.473 -8.545 2.341 1.00 63.55 N ATOM 1328 CA VAL A 95 -2.990 -7.194 2.559 1.00 53.31 C ATOM 1329 C VAL A 95 -3.764 -6.623 3.738 1.00 64.35 C ATOM 1330 O VAL A 95 -4.987 -6.745 3.820 1.00 73.55 O ATOM 1331 CB VAL A 95 -3.171 -6.319 1.304 1.00 63.53 C ATOM 1332 CG1 VAL A 95 -2.469 -4.966 1.481 1.00 54.45 C ATOM 1333 CG2 VAL A 95 -2.594 -6.937 0.027 1.00 74.53 C ATOM 0 H VAL A 95 -4.483 -8.642 2.447 1.00 63.55 H new ATOM 0 HA VAL A 95 -1.921 -7.208 2.771 1.00 53.31 H new ATOM 0 HB VAL A 95 -4.251 -6.217 1.195 1.00 63.53 H new ATOM 0 HG11 VAL A 95 -2.609 -4.363 0.584 1.00 54.45 H new ATOM 0 HG12 VAL A 95 -2.895 -4.445 2.338 1.00 54.45 H new ATOM 0 HG13 VAL A 95 -1.404 -5.128 1.647 1.00 54.45 H new ATOM 0 HG21 VAL A 95 -2.761 -6.261 -0.812 1.00 74.53 H new ATOM 0 HG22 VAL A 95 -1.524 -7.101 0.154 1.00 74.53 H new ATOM 0 HG23 VAL A 95 -3.086 -7.889 -0.171 1.00 74.53 H new ATOM 1343 N PHE A 96 -3.058 -5.911 4.602 1.00 32.50 N ATOM 1344 CA PHE A 96 -3.601 -5.268 5.773 1.00 72.23 C ATOM 1345 C PHE A 96 -3.211 -3.793 5.780 1.00 64.53 C ATOM 1346 O PHE A 96 -2.372 -3.339 4.994 1.00 63.44 O ATOM 1347 CB PHE A 96 -3.064 -6.023 6.992 1.00 13.24 C ATOM 1348 CG PHE A 96 -3.743 -5.631 8.282 1.00 11.30 C ATOM 1349 CD1 PHE A 96 -5.104 -5.925 8.477 1.00 33.21 C ATOM 1350 CD2 PHE A 96 -3.029 -4.923 9.262 1.00 1.23 C ATOM 1351 CE1 PHE A 96 -5.754 -5.482 9.641 1.00 52.04 C ATOM 1352 CE2 PHE A 96 -3.675 -4.482 10.427 1.00 35.24 C ATOM 1353 CZ PHE A 96 -5.041 -4.754 10.610 1.00 11.11 C ATOM 0 H PHE A 96 -2.054 -5.764 4.497 1.00 32.50 H new ATOM 0 HA PHE A 96 -4.690 -5.299 5.786 1.00 72.23 H new ATOM 0 HB2 PHE A 96 -3.191 -7.094 6.833 1.00 13.24 H new ATOM 0 HB3 PHE A 96 -1.993 -5.839 7.082 1.00 13.24 H new ATOM 0 HD1 PHE A 96 -5.648 -6.490 7.734 1.00 33.21 H new ATOM 0 HD2 PHE A 96 -1.979 -4.717 9.119 1.00 1.23 H new ATOM 0 HE1 PHE A 96 -6.801 -5.700 9.792 1.00 52.04 H new ATOM 0 HE2 PHE A 96 -3.125 -3.936 11.179 1.00 35.24 H new ATOM 0 HZ PHE A 96 -5.545 -4.403 11.498 1.00 11.11 H new ATOM 1362 N ILE A 97 -3.818 -3.021 6.679 1.00 4.44 N ATOM 1363 CA ILE A 97 -3.543 -1.606 6.853 1.00 74.51 C ATOM 1364 C ILE A 97 -3.854 -1.211 8.291 1.00 52.32 C ATOM 1365 O ILE A 97 -4.856 -1.672 8.833 1.00 71.32 O ATOM 1366 CB ILE A 97 -4.391 -0.742 5.882 1.00 54.31 C ATOM 1367 CG1 ILE A 97 -5.819 -1.293 5.650 1.00 0.10 C ATOM 1368 CG2 ILE A 97 -3.654 -0.555 4.552 1.00 43.23 C ATOM 1369 CD1 ILE A 97 -6.665 -0.388 4.759 1.00 22.42 C ATOM 0 H ILE A 97 -4.530 -3.375 7.318 1.00 4.44 H new ATOM 0 HA ILE A 97 -2.491 -1.429 6.631 1.00 74.51 H new ATOM 0 HB ILE A 97 -4.520 0.228 6.363 1.00 54.31 H new ATOM 0 HG12 ILE A 97 -5.753 -2.282 5.197 1.00 0.10 H new ATOM 0 HG13 ILE A 97 -6.317 -1.416 6.612 1.00 0.10 H new ATOM 0 HG21 ILE A 97 -4.262 0.053 3.882 1.00 43.23 H new ATOM 0 HG22 ILE A 97 -2.701 -0.056 4.731 1.00 43.23 H new ATOM 0 HG23 ILE A 97 -3.474 -1.528 4.096 1.00 43.23 H new ATOM 0 HD11 ILE A 97 -7.655 -0.825 4.632 1.00 22.42 H new ATOM 0 HD12 ILE A 97 -6.759 0.594 5.222 1.00 22.42 H new ATOM 0 HD13 ILE A 97 -6.186 -0.285 3.785 1.00 22.42 H new ATOM 1380 N PRO A 98 -3.070 -0.290 8.876 1.00 20.33 N ATOM 1381 CA PRO A 98 -3.448 0.346 10.123 1.00 22.12 C ATOM 1382 C PRO A 98 -4.587 1.343 9.857 1.00 21.21 C ATOM 1383 O PRO A 98 -4.366 2.373 9.211 1.00 1.10 O ATOM 1384 CB PRO A 98 -2.174 1.024 10.632 1.00 13.13 C ATOM 1385 CG PRO A 98 -1.389 1.341 9.355 1.00 75.25 C ATOM 1386 CD PRO A 98 -1.806 0.243 8.371 1.00 44.41 C ATOM 0 HA PRO A 98 -3.824 -0.352 10.871 1.00 22.12 H new ATOM 0 HB2 PRO A 98 -2.401 1.929 11.196 1.00 13.13 H new ATOM 0 HB3 PRO A 98 -1.610 0.368 11.295 1.00 13.13 H new ATOM 0 HG2 PRO A 98 -1.635 2.332 8.973 1.00 75.25 H new ATOM 0 HG3 PRO A 98 -0.314 1.326 9.535 1.00 75.25 H new ATOM 0 HD2 PRO A 98 -1.926 0.645 7.365 1.00 44.41 H new ATOM 0 HD3 PRO A 98 -1.048 -0.538 8.314 1.00 44.41 H new ATOM 1391 N GLN A 99 -5.798 1.046 10.327 1.00 74.32 N ATOM 1392 CA GLN A 99 -6.966 1.930 10.352 1.00 35.41 C ATOM 1393 C GLN A 99 -7.589 1.851 11.753 1.00 55.12 C ATOM 1394 O GLN A 99 -7.132 1.061 12.589 1.00 55.11 O ATOM 1395 CB GLN A 99 -7.979 1.507 9.271 1.00 32.44 C ATOM 1396 CG GLN A 99 -7.546 1.825 7.833 1.00 61.52 C ATOM 1397 CD GLN A 99 -7.328 3.317 7.569 1.00 35.13 C ATOM 1398 OE1 GLN A 99 -8.260 4.098 7.404 1.00 60.34 O ATOM 1399 NE2 GLN A 99 -6.082 3.753 7.501 1.00 21.54 N ATOM 0 H GLN A 99 -6.003 0.129 10.724 1.00 74.32 H new ATOM 0 HA GLN A 99 -6.672 2.957 10.138 1.00 35.41 H new ATOM 0 HB2 GLN A 99 -8.154 0.435 9.355 1.00 32.44 H new ATOM 0 HB3 GLN A 99 -8.930 2.002 9.469 1.00 32.44 H new ATOM 0 HG2 GLN A 99 -6.623 1.288 7.614 1.00 61.52 H new ATOM 0 HG3 GLN A 99 -8.303 1.451 7.144 1.00 61.52 H new ATOM 0 HE21 GLN A 99 -5.307 3.105 7.638 1.00 21.54 H new ATOM 0 HE22 GLN A 99 -5.896 4.738 7.312 1.00 21.54 H new