USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 LYS NZ :NH3+ 153:sc= 0.0993 (180deg=0) USER MOD Set 1.2: A 120 ASN : amide:sc= -2.71! C(o=-2.6!,f=-4!) USER MOD Set 2.1: A 99 MET CE :methyl -166:sc= -0.0286 (180deg=-0.569) USER MOD Set 2.2: A 124 MET CE :methyl -151:sc=-0.00794 (180deg=0) USER MOD Set 3.1: A 31 SER OG : rot -25:sc= 0.913 USER MOD Set 3.2: A 62 THR OG1 : rot 38:sc= 1.3 USER MOD Set 4.1: A 48 GLN : amide:sc= -23.8! C(o=-38!,f=-29!) USER MOD Set 4.2: A 50 GLN : amide:sc= -14.3! C(o=-38!,f=-33!) USER MOD Single : A 1 THR N :NH3+ 150:sc= 0.309 (180deg=0.0711) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 4 TYR OH : rot 0:sc= -1.74 USER MOD Single : A 9 SER OG : rot 29:sc= -3.39! USER MOD Single : A 10 ASN : amide:sc= -6.17! C(o=-6.2!,f=-9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -4.94! C(o=-4.9!,f=-5.1!) USER MOD Single : A 19 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.19) USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= -6.15! (180deg=-7.8!) USER MOD Single : A 32 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.011) USER MOD Single : A 35 THR OG1 : rot 131:sc= 0.172 USER MOD Single : A 37 SER OG : rot -78:sc= 1.26 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 117:sc= 0.58 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -4.45! K(o=-4.4!,f=-2.3) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -4.39! K(o=-4.4!,f=-1) USER MOD Single : A 72 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-6.8!) USER MOD Single : A 73 THR OG1 : rot -1:sc= 0.0615 USER MOD Single : A 74 GLN : amide:sc= -3.72! C(o=-3.7!,f=-6.9!) USER MOD Single : A 79 GLN : amide:sc= -5.05! C(o=-5.1!,f=-1.7!) USER MOD Single : A 80 GLN : amide:sc= -6.37! C(o=-6.4!,f=-4.4!) USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= -0.0134 (180deg=-0.263) USER MOD Single : A 93 THR OG1 : rot 160:sc= 0.215 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 107 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.6) USER MOD Single : A 108 THR OG1 : rot 142:sc= -4.6! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.635 K(o=-0.63,f=-2.1!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 173:sc= -0.0568 (180deg=-0.178) USER MOD Single : A 142 MET CE :methyl -161:sc= -0.13 (180deg=-0.685) USER MOD Single : A 145 GLN : amide:sc= -11.2! C(o=-11!,f=-5.5!) USER MOD Single : A 148 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-3.6!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.283) USER MOD Single : A 156 ASN : amide:sc=-0.000496 X(o=-0.0005,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 167:sc= -0.0449 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.647 -13.763 -9.343 1.00 0.73 N ATOM 2 CA THR A 1 0.697 -13.141 -8.385 1.00 0.53 C ATOM 3 C THR A 1 0.872 -11.626 -8.340 1.00 0.47 C ATOM 4 O THR A 1 1.994 -11.122 -8.363 1.00 0.70 O ATOM 5 CB THR A 1 0.938 -13.746 -7.001 1.00 0.54 C ATOM 6 OG1 THR A 1 0.755 -15.150 -7.029 1.00 0.58 O ATOM 7 CG2 THR A 1 0.022 -13.187 -5.934 1.00 0.81 C ATOM 0 H1 THR A 1 1.884 -14.724 -9.022 1.00 0.73 H new ATOM 0 H2 THR A 1 1.209 -13.811 -10.285 1.00 0.73 H new ATOM 0 H3 THR A 1 2.514 -13.191 -9.393 1.00 0.73 H new ATOM 0 HA THR A 1 -0.324 -13.341 -8.709 1.00 0.53 H new ATOM 0 HB THR A 1 1.966 -13.485 -6.748 1.00 0.54 H new ATOM 0 HG1 THR A 1 0.915 -15.519 -6.135 1.00 0.58 H new ATOM 0 HG21 THR A 1 0.247 -13.659 -4.978 1.00 0.81 H new ATOM 0 HG22 THR A 1 0.174 -12.111 -5.852 1.00 0.81 H new ATOM 0 HG23 THR A 1 -1.015 -13.388 -6.203 1.00 0.81 H new ATOM 17 N VAL A 2 -0.242 -10.904 -8.278 1.00 0.44 N ATOM 18 CA VAL A 2 -0.206 -9.448 -8.233 1.00 0.42 C ATOM 19 C VAL A 2 0.123 -8.942 -6.835 1.00 0.38 C ATOM 20 O VAL A 2 -0.296 -9.525 -5.835 1.00 0.43 O ATOM 21 CB VAL A 2 -1.544 -8.828 -8.677 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.489 -7.312 -8.590 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.898 -9.264 -10.086 1.00 0.85 C ATOM 0 H VAL A 2 -1.180 -11.304 -8.258 1.00 0.44 H new ATOM 0 HA VAL A 2 0.578 -9.142 -8.926 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.322 -9.184 -8.001 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.444 -6.894 -8.908 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.287 -7.014 -7.561 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -0.696 -6.939 -9.238 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.847 -8.814 -10.379 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.116 -8.942 -10.774 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.986 -10.350 -10.120 1.00 0.85 H new ATOM 33 N ALA A 3 0.864 -7.843 -6.777 1.00 0.38 N ATOM 34 CA ALA A 3 1.241 -7.236 -5.510 1.00 0.40 C ATOM 35 C ALA A 3 0.392 -6.002 -5.238 1.00 0.40 C ATOM 36 O ALA A 3 0.636 -4.931 -5.796 1.00 0.65 O ATOM 37 CB ALA A 3 2.717 -6.881 -5.510 1.00 0.43 C ATOM 0 H ALA A 3 1.217 -7.352 -7.599 1.00 0.38 H new ATOM 0 HA ALA A 3 1.062 -7.958 -4.713 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.982 -6.428 -4.555 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.308 -7.784 -5.660 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.922 -6.176 -6.315 1.00 0.43 H new ATOM 43 N TYR A 4 -0.600 -6.161 -4.377 1.00 0.25 N ATOM 44 CA TYR A 4 -1.495 -5.073 -4.017 1.00 0.24 C ATOM 45 C TYR A 4 -0.810 -4.176 -2.987 1.00 0.27 C ATOM 46 O TYR A 4 -1.094 -4.258 -1.791 1.00 0.35 O ATOM 47 CB TYR A 4 -2.792 -5.640 -3.446 1.00 0.25 C ATOM 48 CG TYR A 4 -3.575 -6.526 -4.400 1.00 0.27 C ATOM 49 CD1 TYR A 4 -2.912 -7.372 -5.277 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.967 -6.520 -4.433 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.604 -8.178 -6.154 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.666 -7.326 -5.308 1.00 0.66 C ATOM 53 CZ TYR A 4 -5.036 -8.149 -6.124 1.00 0.45 C ATOM 54 OH TYR A 4 -5.674 -8.959 -7.040 1.00 0.55 O ATOM 0 H TYR A 4 -0.807 -7.044 -3.910 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.732 -4.484 -4.903 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.557 -6.214 -2.549 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.429 -4.811 -3.137 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -1.832 -7.399 -5.272 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.510 -5.872 -3.761 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.079 -8.817 -6.848 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.745 -7.282 -5.325 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.006 -9.435 -7.577 1.00 0.55 H new ATOM 64 N ILE A 5 0.124 -3.353 -3.454 1.00 0.28 N ATOM 65 CA ILE A 5 0.890 -2.477 -2.574 1.00 0.34 C ATOM 66 C ILE A 5 0.178 -1.156 -2.299 1.00 0.34 C ATOM 67 O ILE A 5 -0.588 -0.660 -3.127 1.00 0.39 O ATOM 68 CB ILE A 5 2.275 -2.169 -3.177 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.911 -3.446 -3.739 1.00 0.44 C ATOM 70 CG2 ILE A 5 3.184 -1.535 -2.132 1.00 0.53 C ATOM 71 CD1 ILE A 5 3.110 -4.539 -2.710 1.00 0.95 C ATOM 0 H ILE A 5 0.369 -3.274 -4.441 1.00 0.28 H new ATOM 0 HA ILE A 5 0.998 -3.015 -1.632 1.00 0.34 H new ATOM 0 HB ILE A 5 2.145 -1.460 -3.995 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.283 -3.829 -4.544 1.00 0.44 H new ATOM 0 HG13 ILE A 5 3.876 -3.196 -4.179 1.00 0.44 H new ATOM 0 HG21 ILE A 5 4.157 -1.325 -2.576 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.738 -0.606 -1.778 1.00 0.53 H new ATOM 0 HG23 ILE A 5 3.308 -2.221 -1.294 1.00 0.53 H new ATOM 0 HD11 ILE A 5 3.564 -5.408 -3.186 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.763 -4.177 -1.916 1.00 0.95 H new ATOM 0 HD13 ILE A 5 2.146 -4.820 -2.286 1.00 0.95 H new ATOM 83 N ALA A 6 0.463 -0.584 -1.132 1.00 0.40 N ATOM 84 CA ALA A 6 -0.115 0.692 -0.728 1.00 0.44 C ATOM 85 C ALA A 6 0.995 1.663 -0.336 1.00 0.42 C ATOM 86 O ALA A 6 1.785 1.378 0.563 1.00 0.58 O ATOM 87 CB ALA A 6 -1.088 0.496 0.424 1.00 0.53 C ATOM 0 H ALA A 6 1.097 -0.990 -0.444 1.00 0.40 H new ATOM 0 HA ALA A 6 -0.667 1.112 -1.569 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.510 1.459 0.712 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -1.890 -0.173 0.113 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.562 0.061 1.274 1.00 0.53 H new ATOM 93 N ILE A 7 1.063 2.798 -1.025 1.00 0.41 N ATOM 94 CA ILE A 7 2.097 3.794 -0.754 1.00 0.40 C ATOM 95 C ILE A 7 1.547 4.973 0.046 1.00 0.44 C ATOM 96 O ILE A 7 0.382 5.340 -0.097 1.00 0.52 O ATOM 97 CB ILE A 7 2.726 4.323 -2.064 1.00 0.50 C ATOM 98 CG1 ILE A 7 3.452 3.201 -2.816 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.685 5.470 -1.774 1.00 0.53 C ATOM 100 CD1 ILE A 7 2.529 2.156 -3.410 1.00 0.99 C ATOM 0 H ILE A 7 0.417 3.051 -1.773 1.00 0.41 H new ATOM 0 HA ILE A 7 2.864 3.292 -0.164 1.00 0.40 H new ATOM 0 HB ILE A 7 1.920 4.694 -2.697 1.00 0.50 H new ATOM 0 HG12 ILE A 7 4.048 3.641 -3.616 1.00 0.65 H new ATOM 0 HG13 ILE A 7 4.147 2.711 -2.134 1.00 0.65 H new ATOM 0 HG21 ILE A 7 4.117 5.828 -2.708 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.144 6.283 -1.289 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.481 5.121 -1.116 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.120 1.399 -3.924 1.00 0.99 H new ATOM 0 HD12 ILE A 7 1.951 1.686 -2.614 1.00 0.99 H new ATOM 0 HD13 ILE A 7 1.851 2.630 -4.119 1.00 0.99 H new ATOM 112 N GLY A 8 2.400 5.569 0.878 1.00 0.50 N ATOM 113 CA GLY A 8 1.987 6.706 1.673 1.00 0.61 C ATOM 114 C GLY A 8 2.999 7.828 1.599 1.00 0.62 C ATOM 115 O GLY A 8 4.187 7.581 1.411 1.00 0.90 O ATOM 0 H GLY A 8 3.369 5.282 1.013 1.00 0.50 H new ATOM 0 HA2 GLY A 8 1.019 7.064 1.323 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.858 6.399 2.711 1.00 0.61 H new ATOM 119 N SER A 9 2.535 9.062 1.732 1.00 0.56 N ATOM 120 CA SER A 9 3.423 10.214 1.665 1.00 0.63 C ATOM 121 C SER A 9 2.707 11.459 2.148 1.00 0.66 C ATOM 122 O SER A 9 1.720 11.882 1.545 1.00 0.77 O ATOM 123 CB SER A 9 3.901 10.407 0.233 1.00 0.77 C ATOM 124 OG SER A 9 2.803 10.501 -0.655 1.00 1.58 O ATOM 0 H SER A 9 1.553 9.291 1.886 1.00 0.56 H new ATOM 0 HA SER A 9 4.284 10.038 2.310 1.00 0.63 H new ATOM 0 HB2 SER A 9 4.507 11.310 0.166 1.00 0.77 H new ATOM 0 HB3 SER A 9 4.539 9.573 -0.058 1.00 0.77 H new ATOM 0 HG SER A 9 2.031 10.875 -0.182 1.00 1.58 H new ATOM 130 N ASN A 10 3.173 12.031 3.253 1.00 0.69 N ATOM 131 CA ASN A 10 2.518 13.208 3.800 1.00 0.79 C ATOM 132 C ASN A 10 3.505 14.234 4.362 1.00 0.83 C ATOM 133 O ASN A 10 3.335 15.437 4.163 1.00 0.98 O ATOM 134 CB ASN A 10 1.557 12.776 4.904 1.00 0.99 C ATOM 135 CG ASN A 10 0.881 11.451 4.619 1.00 1.05 C ATOM 136 OD1 ASN A 10 0.323 11.240 3.547 1.00 2.01 O ATOM 137 ND2 ASN A 10 0.924 10.548 5.593 1.00 1.01 N ATOM 0 H ASN A 10 3.985 11.705 3.777 1.00 0.69 H new ATOM 0 HA ASN A 10 1.985 13.692 2.982 1.00 0.79 H new ATOM 0 HB2 ASN A 10 2.103 12.704 5.845 1.00 0.99 H new ATOM 0 HB3 ASN A 10 0.795 13.545 5.036 1.00 0.99 H new ATOM 0 HD21 ASN A 10 0.482 9.638 5.464 1.00 1.01 H new ATOM 0 HD22 ASN A 10 1.399 10.765 6.469 1.00 1.01 H new ATOM 144 N LEU A 11 4.511 13.762 5.090 1.00 0.83 N ATOM 145 CA LEU A 11 5.490 14.657 5.710 1.00 0.95 C ATOM 146 C LEU A 11 6.459 15.266 4.704 1.00 0.93 C ATOM 147 O LEU A 11 6.441 16.473 4.464 1.00 1.38 O ATOM 148 CB LEU A 11 6.258 13.930 6.821 1.00 1.12 C ATOM 149 CG LEU A 11 5.522 13.821 8.159 1.00 0.90 C ATOM 150 CD1 LEU A 11 5.289 15.202 8.753 1.00 1.77 C ATOM 151 CD2 LEU A 11 4.202 13.083 7.988 1.00 1.54 C ATOM 0 H LEU A 11 4.672 12.770 5.267 1.00 0.83 H new ATOM 0 HA LEU A 11 4.926 15.483 6.143 1.00 0.95 H new ATOM 0 HB2 LEU A 11 6.501 12.925 6.475 1.00 1.12 H new ATOM 0 HB3 LEU A 11 7.203 14.447 6.986 1.00 1.12 H new ATOM 0 HG LEU A 11 6.145 13.250 8.847 1.00 0.90 H new ATOM 0 HD11 LEU A 11 4.765 15.105 9.704 1.00 1.77 H new ATOM 0 HD12 LEU A 11 6.248 15.695 8.916 1.00 1.77 H new ATOM 0 HD13 LEU A 11 4.687 15.797 8.066 1.00 1.77 H new ATOM 0 HD21 LEU A 11 3.695 13.017 8.951 1.00 1.54 H new ATOM 0 HD22 LEU A 11 3.571 13.624 7.282 1.00 1.54 H new ATOM 0 HD23 LEU A 11 4.393 12.079 7.608 1.00 1.54 H new ATOM 163 N ALA A 12 7.308 14.432 4.140 1.00 0.84 N ATOM 164 CA ALA A 12 8.304 14.890 3.176 1.00 0.91 C ATOM 165 C ALA A 12 7.650 15.583 1.988 1.00 0.95 C ATOM 166 O ALA A 12 7.691 16.808 1.873 1.00 1.72 O ATOM 167 CB ALA A 12 9.161 13.726 2.706 1.00 0.97 C ATOM 0 H ALA A 12 7.333 13.430 4.329 1.00 0.84 H new ATOM 0 HA ALA A 12 8.943 15.618 3.676 1.00 0.91 H new ATOM 0 HB1 ALA A 12 9.899 14.084 1.988 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.672 13.282 3.560 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.528 12.976 2.232 1.00 0.97 H new ATOM 173 N SER A 13 7.048 14.791 1.110 1.00 0.81 N ATOM 174 CA SER A 13 6.383 15.327 -0.071 1.00 0.79 C ATOM 175 C SER A 13 5.435 14.292 -0.674 1.00 0.71 C ATOM 176 O SER A 13 5.843 13.472 -1.492 1.00 0.71 O ATOM 177 CB SER A 13 7.409 15.761 -1.119 1.00 0.89 C ATOM 178 OG SER A 13 6.775 16.378 -2.226 1.00 1.47 O ATOM 0 H SER A 13 7.006 13.775 1.193 1.00 0.81 H new ATOM 0 HA SER A 13 5.804 16.198 0.237 1.00 0.79 H new ATOM 0 HB2 SER A 13 8.121 16.454 -0.671 1.00 0.89 H new ATOM 0 HB3 SER A 13 7.977 14.895 -1.457 1.00 0.89 H new ATOM 0 HG SER A 13 7.452 16.650 -2.881 1.00 1.47 H new ATOM 184 N PRO A 14 4.154 14.319 -0.263 1.00 0.69 N ATOM 185 CA PRO A 14 3.141 13.384 -0.751 1.00 0.66 C ATOM 186 C PRO A 14 3.223 13.115 -2.251 1.00 0.67 C ATOM 187 O PRO A 14 2.801 12.062 -2.725 1.00 0.66 O ATOM 188 CB PRO A 14 1.839 14.094 -0.437 1.00 0.68 C ATOM 189 CG PRO A 14 2.127 14.934 0.763 1.00 0.80 C ATOM 190 CD PRO A 14 3.598 15.266 0.724 1.00 0.78 C ATOM 0 HA PRO A 14 3.259 12.405 -0.286 1.00 0.66 H new ATOM 0 HB2 PRO A 14 1.513 14.707 -1.277 1.00 0.68 H new ATOM 0 HB3 PRO A 14 1.041 13.380 -0.235 1.00 0.68 H new ATOM 0 HG2 PRO A 14 1.526 15.843 0.751 1.00 0.80 H new ATOM 0 HG3 PRO A 14 1.876 14.398 1.678 1.00 0.80 H new ATOM 0 HD2 PRO A 14 3.766 16.300 0.423 1.00 0.78 H new ATOM 0 HD3 PRO A 14 4.061 15.140 1.703 1.00 0.78 H new ATOM 198 N LEU A 15 3.740 14.082 -2.997 1.00 0.73 N ATOM 199 CA LEU A 15 3.845 13.954 -4.447 1.00 0.78 C ATOM 200 C LEU A 15 5.113 13.222 -4.873 1.00 0.73 C ATOM 201 O LEU A 15 5.054 12.213 -5.573 1.00 0.79 O ATOM 202 CB LEU A 15 3.822 15.339 -5.092 1.00 0.92 C ATOM 203 CG LEU A 15 3.735 15.344 -6.619 1.00 0.98 C ATOM 204 CD1 LEU A 15 2.416 14.744 -7.082 1.00 1.00 C ATOM 205 CD2 LEU A 15 3.901 16.755 -7.160 1.00 1.15 C ATOM 0 H LEU A 15 4.093 14.963 -2.624 1.00 0.73 H new ATOM 0 HA LEU A 15 2.991 13.365 -4.782 1.00 0.78 H new ATOM 0 HB2 LEU A 15 2.973 15.894 -4.694 1.00 0.92 H new ATOM 0 HB3 LEU A 15 4.722 15.876 -4.793 1.00 0.92 H new ATOM 0 HG LEU A 15 4.546 14.730 -7.010 1.00 0.98 H new ATOM 0 HD11 LEU A 15 2.373 14.756 -8.171 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.340 13.716 -6.728 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.589 15.329 -6.680 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.836 16.738 -8.248 1.00 1.15 H new ATOM 0 HD22 LEU A 15 3.113 17.393 -6.760 1.00 1.15 H new ATOM 0 HD23 LEU A 15 4.873 17.147 -6.861 1.00 1.15 H new ATOM 217 N GLU A 16 6.258 13.761 -4.473 1.00 0.71 N ATOM 218 CA GLU A 16 7.549 13.201 -4.837 1.00 0.71 C ATOM 219 C GLU A 16 7.785 11.796 -4.282 1.00 0.63 C ATOM 220 O GLU A 16 8.551 11.028 -4.862 1.00 0.65 O ATOM 221 CB GLU A 16 8.653 14.137 -4.356 1.00 0.81 C ATOM 222 CG GLU A 16 8.741 15.431 -5.147 1.00 0.95 C ATOM 223 CD GLU A 16 9.852 16.339 -4.658 1.00 1.57 C ATOM 224 OE1 GLU A 16 9.819 16.733 -3.474 1.00 2.35 O ATOM 225 OE2 GLU A 16 10.756 16.656 -5.460 1.00 2.01 O ATOM 0 H GLU A 16 6.316 14.596 -3.889 1.00 0.71 H new ATOM 0 HA GLU A 16 7.561 13.107 -5.923 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.485 14.374 -3.305 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.610 13.618 -4.417 1.00 0.81 H new ATOM 0 HG2 GLU A 16 8.903 15.199 -6.200 1.00 0.95 H new ATOM 0 HG3 GLU A 16 7.790 15.959 -5.080 1.00 0.95 H new ATOM 232 N GLN A 17 7.161 11.458 -3.155 1.00 0.59 N ATOM 233 CA GLN A 17 7.372 10.143 -2.557 1.00 0.56 C ATOM 234 C GLN A 17 6.567 9.047 -3.252 1.00 0.55 C ATOM 235 O GLN A 17 6.898 7.868 -3.146 1.00 0.61 O ATOM 236 CB GLN A 17 7.030 10.183 -1.073 1.00 0.62 C ATOM 237 CG GLN A 17 7.736 11.306 -0.338 1.00 0.71 C ATOM 238 CD GLN A 17 7.777 11.087 1.154 1.00 1.20 C ATOM 239 OE1 GLN A 17 6.744 11.033 1.821 1.00 1.99 O ATOM 240 NE2 GLN A 17 8.983 10.955 1.685 1.00 1.63 N ATOM 0 H GLN A 17 6.517 12.064 -2.646 1.00 0.59 H new ATOM 0 HA GLN A 17 8.426 9.897 -2.686 1.00 0.56 H new ATOM 0 HB2 GLN A 17 5.953 10.299 -0.956 1.00 0.62 H new ATOM 0 HB3 GLN A 17 7.299 9.230 -0.617 1.00 0.62 H new ATOM 0 HG2 GLN A 17 8.754 11.399 -0.716 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.230 12.248 -0.549 1.00 0.71 H new ATOM 0 HE21 GLN A 17 9.810 11.007 1.091 1.00 1.63 H new ATOM 0 HE22 GLN A 17 9.084 10.801 2.688 1.00 1.63 H new ATOM 249 N VAL A 18 5.503 9.435 -3.944 1.00 0.56 N ATOM 250 CA VAL A 18 4.648 8.473 -4.635 1.00 0.62 C ATOM 251 C VAL A 18 5.088 8.237 -6.077 1.00 0.60 C ATOM 252 O VAL A 18 4.940 7.132 -6.602 1.00 0.64 O ATOM 253 CB VAL A 18 3.182 8.940 -4.595 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.265 7.984 -5.339 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.734 9.089 -3.156 1.00 0.83 C ATOM 0 H VAL A 18 5.210 10.407 -4.043 1.00 0.56 H new ATOM 0 HA VAL A 18 4.741 7.522 -4.110 1.00 0.62 H new ATOM 0 HB VAL A 18 3.121 9.905 -5.098 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.239 8.349 -5.287 1.00 0.82 H new ATOM 0 HG12 VAL A 18 2.575 7.920 -6.382 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.322 6.996 -4.882 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.696 9.420 -3.131 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.822 8.129 -2.646 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.362 9.825 -2.654 1.00 0.83 H new ATOM 265 N ASN A 19 5.629 9.267 -6.717 1.00 0.60 N ATOM 266 CA ASN A 19 6.084 9.142 -8.097 1.00 0.64 C ATOM 267 C ASN A 19 7.220 8.131 -8.212 1.00 0.56 C ATOM 268 O ASN A 19 7.238 7.310 -9.127 1.00 0.63 O ATOM 269 CB ASN A 19 6.541 10.494 -8.644 1.00 0.72 C ATOM 270 CG ASN A 19 5.398 11.482 -8.778 1.00 0.82 C ATOM 271 OD1 ASN A 19 4.398 11.208 -9.443 1.00 0.92 O ATOM 272 ND2 ASN A 19 5.543 12.644 -8.153 1.00 0.84 N ATOM 0 H ASN A 19 5.763 10.191 -6.307 1.00 0.60 H new ATOM 0 HA ASN A 19 5.240 8.788 -8.689 1.00 0.64 H new ATOM 0 HB2 ASN A 19 7.302 10.911 -7.984 1.00 0.72 H new ATOM 0 HB3 ASN A 19 7.008 10.349 -9.618 1.00 0.72 H new ATOM 0 HD21 ASN A 19 4.810 13.350 -8.213 1.00 0.84 H new ATOM 0 HD22 ASN A 19 6.388 12.830 -7.612 1.00 0.84 H new ATOM 279 N ALA A 20 8.167 8.198 -7.280 1.00 0.47 N ATOM 280 CA ALA A 20 9.308 7.289 -7.283 1.00 0.42 C ATOM 281 C ALA A 20 8.968 5.969 -6.603 1.00 0.35 C ATOM 282 O ALA A 20 9.625 4.955 -6.837 1.00 0.36 O ATOM 283 CB ALA A 20 10.504 7.941 -6.608 1.00 0.43 C ATOM 0 H ALA A 20 8.166 8.872 -6.514 1.00 0.47 H new ATOM 0 HA ALA A 20 9.562 7.073 -8.321 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.348 7.251 -6.618 1.00 0.43 H new ATOM 0 HB2 ALA A 20 10.773 8.851 -7.144 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.250 8.189 -5.577 1.00 0.43 H new ATOM 289 N ALA A 21 7.936 5.984 -5.765 1.00 0.36 N ATOM 290 CA ALA A 21 7.514 4.777 -5.062 1.00 0.39 C ATOM 291 C ALA A 21 7.072 3.709 -6.053 1.00 0.41 C ATOM 292 O ALA A 21 7.500 2.557 -5.970 1.00 0.44 O ATOM 293 CB ALA A 21 6.387 5.095 -4.091 1.00 0.46 C ATOM 0 H ALA A 21 7.379 6.813 -5.557 1.00 0.36 H new ATOM 0 HA ALA A 21 8.363 4.394 -4.496 1.00 0.39 H new ATOM 0 HB1 ALA A 21 6.084 4.184 -3.575 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.731 5.828 -3.362 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.537 5.501 -4.640 1.00 0.46 H new ATOM 299 N LEU A 22 6.219 4.101 -6.994 1.00 0.47 N ATOM 300 CA LEU A 22 5.721 3.178 -8.008 1.00 0.53 C ATOM 301 C LEU A 22 6.691 3.076 -9.181 1.00 0.50 C ATOM 302 O LEU A 22 6.614 2.148 -9.985 1.00 0.64 O ATOM 303 CB LEU A 22 4.333 3.617 -8.489 1.00 0.70 C ATOM 304 CG LEU A 22 4.216 5.080 -8.941 1.00 0.81 C ATOM 305 CD1 LEU A 22 4.898 5.297 -10.284 1.00 1.28 C ATOM 306 CD2 LEU A 22 2.756 5.494 -9.013 1.00 1.35 C ATOM 0 H LEU A 22 5.858 5.052 -7.076 1.00 0.47 H new ATOM 0 HA LEU A 22 5.638 2.189 -7.558 1.00 0.53 H new ATOM 0 HB2 LEU A 22 4.036 2.975 -9.318 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.619 3.447 -7.683 1.00 0.70 H new ATOM 0 HG LEU A 22 4.722 5.703 -8.204 1.00 0.81 H new ATOM 0 HD11 LEU A 22 4.799 6.342 -10.578 1.00 1.28 H new ATOM 0 HD12 LEU A 22 5.955 5.042 -10.201 1.00 1.28 H new ATOM 0 HD13 LEU A 22 4.430 4.662 -11.036 1.00 1.28 H new ATOM 0 HD21 LEU A 22 2.688 6.533 -9.335 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.232 4.858 -9.727 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.299 5.388 -8.029 1.00 1.35 H new ATOM 318 N LYS A 23 7.595 4.045 -9.275 1.00 0.45 N ATOM 319 CA LYS A 23 8.578 4.077 -10.357 1.00 0.49 C ATOM 320 C LYS A 23 9.696 3.064 -10.117 1.00 0.43 C ATOM 321 O LYS A 23 10.154 2.398 -11.045 1.00 0.51 O ATOM 322 CB LYS A 23 9.155 5.493 -10.493 1.00 0.56 C ATOM 323 CG LYS A 23 10.036 5.707 -11.721 1.00 0.93 C ATOM 324 CD LYS A 23 11.435 5.122 -11.553 1.00 1.62 C ATOM 325 CE LYS A 23 12.257 5.880 -10.519 1.00 2.52 C ATOM 326 NZ LYS A 23 11.723 5.715 -9.138 1.00 3.23 N ATOM 0 H LYS A 23 7.669 4.820 -8.616 1.00 0.45 H new ATOM 0 HA LYS A 23 8.078 3.804 -11.286 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.330 6.205 -10.526 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.738 5.721 -9.600 1.00 0.56 H new ATOM 0 HG2 LYS A 23 9.559 5.252 -12.589 1.00 0.93 H new ATOM 0 HG3 LYS A 23 10.115 6.775 -11.924 1.00 0.93 H new ATOM 0 HD2 LYS A 23 11.356 4.076 -11.256 1.00 1.62 H new ATOM 0 HD3 LYS A 23 11.953 5.143 -12.512 1.00 1.62 H new ATOM 0 HE2 LYS A 23 13.289 5.530 -10.551 1.00 2.52 H new ATOM 0 HE3 LYS A 23 12.272 6.939 -10.776 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 11.370 6.630 -8.791 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 10.945 5.025 -9.147 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 12.480 5.375 -8.511 1.00 3.23 H new ATOM 340 N ALA A 24 10.142 2.963 -8.869 1.00 0.37 N ATOM 341 CA ALA A 24 11.215 2.046 -8.507 1.00 0.41 C ATOM 342 C ALA A 24 10.769 0.587 -8.569 1.00 0.41 C ATOM 343 O ALA A 24 11.601 -0.321 -8.570 1.00 0.43 O ATOM 344 CB ALA A 24 11.747 2.378 -7.122 1.00 0.46 C ATOM 0 H ALA A 24 9.775 3.508 -8.089 1.00 0.37 H new ATOM 0 HA ALA A 24 12.013 2.173 -9.238 1.00 0.41 H new ATOM 0 HB1 ALA A 24 12.548 1.685 -6.864 1.00 0.46 H new ATOM 0 HB2 ALA A 24 12.133 3.397 -7.115 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.942 2.290 -6.392 1.00 0.46 H new ATOM 350 N LEU A 25 9.460 0.363 -8.612 1.00 0.43 N ATOM 351 CA LEU A 25 8.927 -0.995 -8.669 1.00 0.48 C ATOM 352 C LEU A 25 9.041 -1.564 -10.078 1.00 0.49 C ATOM 353 O LEU A 25 8.924 -2.774 -10.279 1.00 0.57 O ATOM 354 CB LEU A 25 7.469 -1.015 -8.210 1.00 0.53 C ATOM 355 CG LEU A 25 7.231 -0.545 -6.773 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.748 -0.581 -6.440 1.00 0.95 C ATOM 357 CD2 LEU A 25 8.019 -1.400 -5.792 1.00 1.00 C ATOM 0 H LEU A 25 8.752 1.098 -8.609 1.00 0.43 H new ATOM 0 HA LEU A 25 9.517 -1.619 -7.997 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.885 -0.387 -8.882 1.00 0.53 H new ATOM 0 HB3 LEU A 25 7.087 -2.031 -8.311 1.00 0.53 H new ATOM 0 HG LEU A 25 7.579 0.484 -6.687 1.00 0.70 H new ATOM 0 HD11 LEU A 25 5.597 -0.244 -5.415 1.00 0.95 H new ATOM 0 HD12 LEU A 25 5.206 0.075 -7.121 1.00 0.95 H new ATOM 0 HD13 LEU A 25 5.376 -1.600 -6.545 1.00 0.95 H new ATOM 0 HD21 LEU A 25 7.836 -1.050 -4.776 1.00 1.00 H new ATOM 0 HD22 LEU A 25 7.703 -2.439 -5.880 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.083 -1.324 -6.016 1.00 1.00 H new ATOM 369 N GLY A 26 9.272 -0.686 -11.049 1.00 0.47 N ATOM 370 CA GLY A 26 9.402 -1.121 -12.426 1.00 0.53 C ATOM 371 C GLY A 26 10.766 -1.722 -12.715 1.00 0.50 C ATOM 372 O GLY A 26 11.048 -2.117 -13.845 1.00 0.64 O ATOM 0 H GLY A 26 9.371 0.319 -10.906 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.629 -1.857 -12.646 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.233 -0.273 -13.090 1.00 0.53 H new ATOM 376 N ASP A 27 11.609 -1.789 -11.688 1.00 0.43 N ATOM 377 CA ASP A 27 12.949 -2.345 -11.834 1.00 0.46 C ATOM 378 C ASP A 27 13.220 -3.384 -10.746 1.00 0.41 C ATOM 379 O ASP A 27 14.320 -3.925 -10.646 1.00 0.56 O ATOM 380 CB ASP A 27 13.993 -1.226 -11.768 1.00 0.59 C ATOM 381 CG ASP A 27 15.381 -1.688 -12.176 1.00 1.05 C ATOM 382 OD1 ASP A 27 15.520 -2.851 -12.609 1.00 1.50 O ATOM 383 OD2 ASP A 27 16.328 -0.880 -12.073 1.00 1.48 O ATOM 0 H ASP A 27 11.387 -1.465 -10.747 1.00 0.43 H new ATOM 0 HA ASP A 27 13.017 -2.836 -12.805 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.682 -0.408 -12.417 1.00 0.59 H new ATOM 0 HB3 ASP A 27 14.031 -0.831 -10.753 1.00 0.59 H new ATOM 388 N ILE A 28 12.203 -3.661 -9.934 1.00 0.37 N ATOM 389 CA ILE A 28 12.325 -4.635 -8.856 1.00 0.36 C ATOM 390 C ILE A 28 12.424 -6.056 -9.414 1.00 0.42 C ATOM 391 O ILE A 28 11.748 -6.398 -10.385 1.00 0.47 O ATOM 392 CB ILE A 28 11.135 -4.531 -7.872 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.171 -3.184 -7.144 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.146 -5.679 -6.870 1.00 0.47 C ATOM 395 CD1 ILE A 28 12.450 -2.943 -6.375 1.00 1.27 C ATOM 0 H ILE A 28 11.284 -3.223 -10.003 1.00 0.37 H new ATOM 0 HA ILE A 28 13.242 -4.410 -8.311 1.00 0.36 H new ATOM 0 HB ILE A 28 10.211 -4.599 -8.446 1.00 0.41 H new ATOM 0 HG12 ILE A 28 11.039 -2.384 -7.872 1.00 0.45 H new ATOM 0 HG13 ILE A 28 10.328 -3.131 -6.455 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.298 -5.579 -6.192 1.00 0.47 H new ATOM 0 HG22 ILE A 28 11.074 -6.627 -7.402 1.00 0.47 H new ATOM 0 HG23 ILE A 28 12.073 -5.653 -6.298 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.403 -1.970 -5.886 1.00 1.27 H new ATOM 0 HD12 ILE A 28 12.574 -3.722 -5.622 1.00 1.27 H new ATOM 0 HD13 ILE A 28 13.297 -2.963 -7.061 1.00 1.27 H new ATOM 407 N PRO A 29 13.284 -6.903 -8.811 1.00 0.49 N ATOM 408 CA PRO A 29 13.489 -8.289 -9.253 1.00 0.65 C ATOM 409 C PRO A 29 12.194 -9.092 -9.319 1.00 0.73 C ATOM 410 O PRO A 29 11.434 -9.153 -8.351 1.00 0.77 O ATOM 411 CB PRO A 29 14.427 -8.881 -8.191 1.00 0.75 C ATOM 412 CG PRO A 29 14.391 -7.921 -7.050 1.00 0.74 C ATOM 413 CD PRO A 29 14.136 -6.576 -7.657 1.00 0.51 C ATOM 0 HA PRO A 29 13.892 -8.322 -10.265 1.00 0.65 H new ATOM 0 HB2 PRO A 29 14.094 -9.872 -7.881 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.439 -8.992 -8.579 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.606 -8.185 -6.341 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.333 -7.930 -6.501 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.635 -5.905 -6.960 1.00 0.51 H new ATOM 0 HD3 PRO A 29 15.061 -6.086 -7.961 1.00 0.51 H new ATOM 421 N GLU A 30 11.963 -9.720 -10.471 1.00 0.83 N ATOM 422 CA GLU A 30 10.774 -10.543 -10.687 1.00 0.95 C ATOM 423 C GLU A 30 9.488 -9.741 -10.499 1.00 0.84 C ATOM 424 O GLU A 30 8.399 -10.310 -10.463 1.00 1.18 O ATOM 425 CB GLU A 30 10.777 -11.741 -9.733 1.00 1.17 C ATOM 426 CG GLU A 30 12.018 -12.613 -9.852 1.00 1.47 C ATOM 427 CD GLU A 30 12.196 -13.190 -11.242 1.00 2.16 C ATOM 428 OE1 GLU A 30 11.289 -13.914 -11.705 1.00 2.84 O ATOM 429 OE2 GLU A 30 13.241 -12.917 -11.868 1.00 2.65 O ATOM 0 H GLU A 30 12.589 -9.674 -11.275 1.00 0.83 H new ATOM 0 HA GLU A 30 10.805 -10.896 -11.718 1.00 0.95 H new ATOM 0 HB2 GLU A 30 10.695 -11.379 -8.708 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.895 -12.351 -9.927 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.897 -12.024 -9.592 1.00 1.47 H new ATOM 0 HG3 GLU A 30 11.955 -13.427 -9.130 1.00 1.47 H new ATOM 436 N SER A 31 9.615 -8.424 -10.381 1.00 0.60 N ATOM 437 CA SER A 31 8.453 -7.562 -10.194 1.00 0.54 C ATOM 438 C SER A 31 8.210 -6.688 -11.416 1.00 0.47 C ATOM 439 O SER A 31 9.150 -6.163 -12.015 1.00 0.59 O ATOM 440 CB SER A 31 8.632 -6.685 -8.955 1.00 0.57 C ATOM 441 OG SER A 31 8.768 -7.475 -7.787 1.00 1.37 O ATOM 0 H SER A 31 10.507 -7.931 -10.411 1.00 0.60 H new ATOM 0 HA SER A 31 7.584 -8.205 -10.055 1.00 0.54 H new ATOM 0 HB2 SER A 31 9.513 -6.054 -9.076 1.00 0.57 H new ATOM 0 HB3 SER A 31 7.775 -6.019 -8.850 1.00 0.57 H new ATOM 0 HG SER A 31 8.337 -8.344 -7.928 1.00 1.37 H new ATOM 447 N HIS A 32 6.942 -6.541 -11.785 1.00 0.38 N ATOM 448 CA HIS A 32 6.580 -5.731 -12.946 1.00 0.42 C ATOM 449 C HIS A 32 5.180 -5.138 -12.800 1.00 0.39 C ATOM 450 O HIS A 32 4.188 -5.819 -13.037 1.00 0.39 O ATOM 451 CB HIS A 32 6.644 -6.588 -14.211 1.00 0.52 C ATOM 452 CG HIS A 32 6.499 -5.809 -15.484 1.00 1.10 C ATOM 453 ND1 HIS A 32 6.487 -6.402 -16.731 1.00 1.90 N ATOM 454 CD2 HIS A 32 6.363 -4.478 -15.706 1.00 1.90 C ATOM 455 CE1 HIS A 32 6.353 -5.471 -17.660 1.00 2.46 C ATOM 456 NE2 HIS A 32 6.274 -4.297 -17.064 1.00 2.42 N ATOM 0 H HIS A 32 6.152 -6.968 -11.302 1.00 0.38 H new ATOM 0 HA HIS A 32 7.291 -4.908 -13.017 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.595 -7.120 -14.229 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.858 -7.342 -14.167 1.00 0.52 H new ATOM 0 HD2 HIS A 32 6.331 -3.704 -14.954 1.00 1.90 H new ATOM 0 HE1 HIS A 32 6.315 -5.643 -18.726 1.00 2.46 H new ATOM 0 HE2 HIS A 32 6.164 -3.399 -17.536 1.00 2.42 H new ATOM 465 N ILE A 33 5.101 -3.865 -12.418 1.00 0.42 N ATOM 466 CA ILE A 33 3.811 -3.199 -12.254 1.00 0.42 C ATOM 467 C ILE A 33 2.992 -3.245 -13.539 1.00 0.41 C ATOM 468 O ILE A 33 3.512 -3.025 -14.632 1.00 0.48 O ATOM 469 CB ILE A 33 3.978 -1.737 -11.789 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.322 -1.705 -10.302 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.712 -0.929 -12.066 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.512 -0.310 -9.746 1.00 0.70 C ATOM 0 H ILE A 33 5.910 -3.277 -12.217 1.00 0.42 H new ATOM 0 HA ILE A 33 3.273 -3.746 -11.479 1.00 0.42 H new ATOM 0 HB ILE A 33 4.793 -1.282 -12.352 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.528 -2.203 -9.745 1.00 0.61 H new ATOM 0 HG13 ILE A 33 5.234 -2.278 -10.138 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.855 0.098 -11.729 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.504 -0.934 -13.136 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.873 -1.373 -11.531 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.754 -0.371 -8.685 1.00 0.70 H new ATOM 0 HD12 ILE A 33 5.326 0.185 -10.276 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.593 0.262 -9.876 1.00 0.70 H new ATOM 484 N LEU A 34 1.705 -3.541 -13.389 1.00 0.39 N ATOM 485 CA LEU A 34 0.796 -3.628 -14.525 1.00 0.40 C ATOM 486 C LEU A 34 -0.155 -2.431 -14.542 1.00 0.37 C ATOM 487 O LEU A 34 -0.342 -1.791 -15.577 1.00 0.50 O ATOM 488 CB LEU A 34 0.009 -4.944 -14.454 1.00 0.43 C ATOM 489 CG LEU A 34 -0.676 -5.388 -15.755 1.00 0.66 C ATOM 490 CD1 LEU A 34 -1.188 -6.813 -15.624 1.00 1.42 C ATOM 491 CD2 LEU A 34 -1.820 -4.455 -16.118 1.00 1.39 C ATOM 0 H LEU A 34 1.267 -3.725 -12.487 1.00 0.39 H new ATOM 0 HA LEU A 34 1.375 -3.611 -15.448 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.689 -5.735 -14.136 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -0.752 -4.848 -13.680 1.00 0.43 H new ATOM 0 HG LEU A 34 0.064 -5.348 -16.554 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -1.671 -7.113 -16.554 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -0.353 -7.482 -15.416 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -1.908 -6.867 -14.807 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -2.286 -4.794 -17.043 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -2.559 -4.457 -15.317 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -1.436 -3.444 -16.254 1.00 1.39 H new ATOM 503 N THR A 35 -0.750 -2.137 -13.390 1.00 0.30 N ATOM 504 CA THR A 35 -1.682 -1.017 -13.269 1.00 0.33 C ATOM 505 C THR A 35 -1.429 -0.222 -11.992 1.00 0.34 C ATOM 506 O THR A 35 -0.839 -0.729 -11.038 1.00 0.44 O ATOM 507 CB THR A 35 -3.125 -1.522 -13.281 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.298 -2.566 -12.341 1.00 0.97 O ATOM 509 CG2 THR A 35 -3.574 -2.036 -14.631 1.00 0.93 C ATOM 0 H THR A 35 -0.604 -2.658 -12.525 1.00 0.30 H new ATOM 0 HA THR A 35 -1.521 -0.359 -14.123 1.00 0.33 H new ATOM 0 HB THR A 35 -3.734 -0.655 -13.025 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.093 -2.387 -11.796 1.00 0.97 H new ATOM 0 HG21 THR A 35 -4.607 -2.378 -14.565 1.00 0.93 H new ATOM 0 HG22 THR A 35 -3.503 -1.235 -15.367 1.00 0.93 H new ATOM 0 HG23 THR A 35 -2.936 -2.866 -14.935 1.00 0.93 H new ATOM 517 N VAL A 36 -1.883 1.031 -11.984 1.00 0.33 N ATOM 518 CA VAL A 36 -1.713 1.901 -10.828 1.00 0.39 C ATOM 519 C VAL A 36 -2.916 2.828 -10.656 1.00 0.36 C ATOM 520 O VAL A 36 -3.477 3.318 -11.637 1.00 0.38 O ATOM 521 CB VAL A 36 -0.430 2.748 -10.950 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.494 3.649 -12.173 1.00 1.05 C ATOM 523 CG2 VAL A 36 -0.203 3.566 -9.685 1.00 1.21 C ATOM 0 H VAL A 36 -2.372 1.464 -12.768 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.630 1.257 -9.952 1.00 0.39 H new ATOM 0 HB VAL A 36 0.416 2.071 -11.073 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.421 4.238 -12.240 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -0.599 3.038 -13.070 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -1.350 4.318 -12.088 1.00 1.05 H new ATOM 0 HG21 VAL A 36 0.707 4.156 -9.792 1.00 1.21 H new ATOM 0 HG22 VAL A 36 -1.051 4.232 -9.525 1.00 1.21 H new ATOM 0 HG23 VAL A 36 -0.103 2.896 -8.831 1.00 1.21 H new ATOM 533 N SER A 37 -3.308 3.058 -9.406 1.00 0.35 N ATOM 534 CA SER A 37 -4.447 3.923 -9.108 1.00 0.35 C ATOM 535 C SER A 37 -4.039 5.394 -9.150 1.00 0.40 C ATOM 536 O SER A 37 -2.923 5.726 -9.553 1.00 0.72 O ATOM 537 CB SER A 37 -5.025 3.578 -7.733 1.00 0.36 C ATOM 538 OG SER A 37 -4.078 3.818 -6.707 1.00 1.35 O ATOM 0 H SER A 37 -2.855 2.659 -8.584 1.00 0.35 H new ATOM 0 HA SER A 37 -5.210 3.757 -9.868 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.921 4.172 -7.552 1.00 0.36 H new ATOM 0 HB3 SER A 37 -5.328 2.531 -7.715 1.00 0.36 H new ATOM 0 HG SER A 37 -3.430 3.083 -6.681 1.00 1.35 H new ATOM 544 N SER A 38 -4.948 6.274 -8.731 1.00 0.43 N ATOM 545 CA SER A 38 -4.677 7.707 -8.719 1.00 0.45 C ATOM 546 C SER A 38 -4.208 8.152 -7.337 1.00 0.47 C ATOM 547 O SER A 38 -3.814 7.324 -6.518 1.00 0.70 O ATOM 548 CB SER A 38 -5.929 8.486 -9.129 1.00 0.50 C ATOM 549 OG SER A 38 -6.350 8.124 -10.431 1.00 1.19 O ATOM 0 H SER A 38 -5.877 6.018 -8.396 1.00 0.43 H new ATOM 0 HA SER A 38 -3.883 7.914 -9.437 1.00 0.45 H new ATOM 0 HB2 SER A 38 -6.731 8.292 -8.417 1.00 0.50 H new ATOM 0 HB3 SER A 38 -5.723 9.556 -9.094 1.00 0.50 H new ATOM 0 HG SER A 38 -7.152 8.634 -10.669 1.00 1.19 H new ATOM 555 N PHE A 39 -4.261 9.455 -7.077 1.00 0.38 N ATOM 556 CA PHE A 39 -3.844 9.982 -5.782 1.00 0.43 C ATOM 557 C PHE A 39 -5.072 10.336 -4.957 1.00 0.40 C ATOM 558 O PHE A 39 -5.956 11.055 -5.425 1.00 0.65 O ATOM 559 CB PHE A 39 -2.942 11.214 -5.944 1.00 0.59 C ATOM 560 CG PHE A 39 -1.803 11.021 -6.910 1.00 1.42 C ATOM 561 CD1 PHE A 39 -2.049 10.835 -8.260 1.00 1.93 C ATOM 562 CD2 PHE A 39 -0.487 11.028 -6.470 1.00 2.21 C ATOM 563 CE1 PHE A 39 -1.009 10.659 -9.153 1.00 2.75 C ATOM 564 CE2 PHE A 39 0.557 10.853 -7.359 1.00 3.01 C ATOM 565 CZ PHE A 39 0.308 10.659 -8.686 1.00 3.17 C ATOM 0 H PHE A 39 -4.585 10.160 -7.739 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.267 9.213 -5.268 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.550 12.054 -6.279 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.536 11.484 -4.969 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -3.067 10.827 -8.620 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -0.276 11.172 -5.421 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -1.213 10.522 -10.205 1.00 2.75 H new ATOM 0 HE2 PHE A 39 1.576 10.870 -7.001 1.00 3.01 H new ATOM 0 HZ PHE A 39 1.126 10.506 -9.374 1.00 3.17 H new ATOM 575 N TYR A 40 -5.139 9.812 -3.738 1.00 0.38 N ATOM 576 CA TYR A 40 -6.283 10.063 -2.874 1.00 0.37 C ATOM 577 C TYR A 40 -5.857 10.591 -1.508 1.00 0.40 C ATOM 578 O TYR A 40 -4.959 10.045 -0.867 1.00 0.53 O ATOM 579 CB TYR A 40 -7.107 8.784 -2.694 1.00 0.44 C ATOM 580 CG TYR A 40 -7.600 8.179 -3.990 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.719 7.591 -4.890 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.952 8.199 -4.316 1.00 0.59 C ATOM 583 CE1 TYR A 40 -7.170 7.040 -6.074 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.409 7.650 -5.498 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.515 7.072 -6.373 1.00 0.66 C ATOM 586 OH TYR A 40 -8.967 6.524 -7.551 1.00 0.76 O ATOM 0 H TYR A 40 -4.420 9.215 -3.330 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.892 10.826 -3.358 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -6.502 8.046 -2.168 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.965 9.004 -2.059 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.664 7.564 -4.660 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.656 8.651 -3.633 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.472 6.586 -6.762 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.462 7.674 -5.735 1.00 0.67 H new ATOM 0 HH TYR A 40 -9.565 5.773 -7.354 1.00 0.76 H new ATOM 596 N ARG A 41 -6.530 11.646 -1.068 1.00 0.43 N ATOM 597 CA ARG A 41 -6.261 12.255 0.228 1.00 0.50 C ATOM 598 C ARG A 41 -7.080 11.534 1.299 1.00 0.54 C ATOM 599 O ARG A 41 -8.298 11.405 1.169 1.00 0.67 O ATOM 600 CB ARG A 41 -6.619 13.746 0.185 1.00 0.66 C ATOM 601 CG ARG A 41 -5.706 14.620 1.022 1.00 0.69 C ATOM 602 CD ARG A 41 -6.046 16.094 0.880 1.00 0.94 C ATOM 603 NE ARG A 41 -5.091 16.946 1.582 1.00 1.56 N ATOM 604 CZ ARG A 41 -5.175 18.273 1.620 1.00 2.07 C ATOM 605 NH1 ARG A 41 -6.166 18.898 0.999 1.00 2.32 N ATOM 606 NH2 ARG A 41 -4.265 18.976 2.281 1.00 2.95 N ATOM 0 H ARG A 41 -7.274 12.102 -1.596 1.00 0.43 H new ATOM 0 HA ARG A 41 -5.202 12.163 0.469 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -6.586 14.088 -0.849 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.645 13.874 0.530 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.785 14.329 2.069 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.671 14.456 0.722 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -6.063 16.362 -0.176 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -7.048 16.274 1.270 1.00 0.94 H new ATOM 0 HE ARG A 41 -4.316 16.499 2.071 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -6.868 18.361 0.490 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -6.226 19.916 1.031 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -3.501 18.499 2.760 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -4.329 19.994 2.310 1.00 2.95 H new ATOM 620 N THR A 42 -6.413 11.046 2.344 1.00 0.61 N ATOM 621 CA THR A 42 -7.120 10.315 3.415 1.00 0.73 C ATOM 622 C THR A 42 -6.237 10.114 4.650 1.00 0.84 C ATOM 623 O THR A 42 -5.258 9.366 4.603 1.00 1.10 O ATOM 624 CB THR A 42 -7.611 8.961 2.898 1.00 0.81 C ATOM 625 OG1 THR A 42 -8.192 8.204 3.943 1.00 1.30 O ATOM 626 CG2 THR A 42 -6.520 8.119 2.269 1.00 1.28 C ATOM 0 H THR A 42 -5.406 11.136 2.479 1.00 0.61 H new ATOM 0 HA THR A 42 -7.975 10.922 3.714 1.00 0.73 H new ATOM 0 HB THR A 42 -8.345 9.201 2.129 1.00 0.81 H new ATOM 0 HG1 THR A 42 -8.641 7.418 3.567 1.00 1.30 H new ATOM 0 HG21 THR A 42 -6.942 7.174 1.926 1.00 1.28 H new ATOM 0 HG22 THR A 42 -6.090 8.654 1.422 1.00 1.28 H new ATOM 0 HG23 THR A 42 -5.742 7.922 3.006 1.00 1.28 H new ATOM 634 N PRO A 43 -6.582 10.781 5.776 1.00 0.74 N ATOM 635 CA PRO A 43 -5.844 10.712 7.042 1.00 0.86 C ATOM 636 C PRO A 43 -5.078 9.408 7.250 1.00 0.90 C ATOM 637 O PRO A 43 -5.671 8.330 7.229 1.00 0.94 O ATOM 638 CB PRO A 43 -6.964 10.849 8.066 1.00 0.98 C ATOM 639 CG PRO A 43 -8.004 11.704 7.404 1.00 0.87 C ATOM 640 CD PRO A 43 -7.748 11.667 5.912 1.00 0.71 C ATOM 0 HA PRO A 43 -5.064 11.471 7.100 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -7.370 9.875 8.337 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.602 11.310 8.985 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -9.004 11.334 7.630 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -7.951 12.727 7.776 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.610 11.280 5.368 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -7.542 12.662 5.517 1.00 0.71 H new ATOM 648 N PRO A 44 -3.740 9.478 7.462 1.00 0.98 N ATOM 649 CA PRO A 44 -2.932 8.279 7.679 1.00 1.12 C ATOM 650 C PRO A 44 -3.264 7.606 9.001 1.00 1.19 C ATOM 651 O PRO A 44 -2.843 6.477 9.260 1.00 2.06 O ATOM 652 CB PRO A 44 -1.493 8.791 7.678 1.00 1.28 C ATOM 653 CG PRO A 44 -1.580 10.240 8.005 1.00 1.18 C ATOM 654 CD PRO A 44 -2.917 10.713 7.513 1.00 1.03 C ATOM 0 HA PRO A 44 -3.113 7.523 6.915 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -0.888 8.260 8.413 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -1.023 8.637 6.707 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -1.484 10.401 9.079 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -0.773 10.794 7.526 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -3.350 11.454 8.185 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -2.838 11.181 6.532 1.00 1.03 H new ATOM 662 N LEU A 45 -4.026 8.310 9.831 1.00 0.99 N ATOM 663 CA LEU A 45 -4.431 7.796 11.132 1.00 1.03 C ATOM 664 C LEU A 45 -3.219 7.422 11.973 1.00 1.08 C ATOM 665 O LEU A 45 -2.753 6.282 11.934 1.00 1.32 O ATOM 666 CB LEU A 45 -5.337 6.581 10.959 1.00 1.15 C ATOM 667 CG LEU A 45 -6.632 6.838 10.186 1.00 1.53 C ATOM 668 CD1 LEU A 45 -7.451 5.561 10.077 1.00 1.83 C ATOM 669 CD2 LEU A 45 -7.444 7.939 10.856 1.00 2.21 C ATOM 0 H LEU A 45 -4.377 9.245 9.623 1.00 0.99 H new ATOM 0 HA LEU A 45 -4.979 8.583 11.650 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -4.776 5.800 10.446 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -5.592 6.195 11.946 1.00 1.15 H new ATOM 0 HG LEU A 45 -6.373 7.166 9.179 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -8.368 5.763 9.524 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -6.872 4.801 9.553 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -7.701 5.203 11.076 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -8.362 8.108 10.293 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -7.693 7.639 11.874 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -6.859 8.858 10.882 1.00 2.21 H new ATOM 681 N GLY A 46 -2.714 8.383 12.734 1.00 1.09 N ATOM 682 CA GLY A 46 -1.563 8.123 13.571 1.00 1.18 C ATOM 683 C GLY A 46 -0.773 9.376 13.905 1.00 1.11 C ATOM 684 O GLY A 46 -1.349 10.452 14.079 1.00 1.19 O ATOM 0 H GLY A 46 -3.080 9.334 12.786 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -1.894 7.652 14.497 1.00 1.18 H new ATOM 0 HA3 GLY A 46 -0.908 7.412 13.067 1.00 1.18 H new ATOM 688 N PRO A 47 0.558 9.255 14.023 1.00 1.12 N ATOM 689 CA PRO A 47 1.440 10.365 14.365 1.00 1.16 C ATOM 690 C PRO A 47 2.019 11.102 13.151 1.00 1.14 C ATOM 691 O PRO A 47 1.289 11.432 12.225 1.00 1.99 O ATOM 692 CB PRO A 47 2.536 9.638 15.127 1.00 1.36 C ATOM 693 CG PRO A 47 2.683 8.342 14.408 1.00 1.39 C ATOM 694 CD PRO A 47 1.318 8.002 13.867 1.00 1.26 C ATOM 0 HA PRO A 47 0.926 11.155 14.912 1.00 1.16 H new ATOM 0 HB2 PRO A 47 3.467 10.204 15.122 1.00 1.36 H new ATOM 0 HB3 PRO A 47 2.261 9.485 16.171 1.00 1.36 H new ATOM 0 HG2 PRO A 47 3.411 8.425 13.601 1.00 1.39 H new ATOM 0 HG3 PRO A 47 3.040 7.562 15.081 1.00 1.39 H new ATOM 0 HD2 PRO A 47 1.367 7.691 12.824 1.00 1.26 H new ATOM 0 HD3 PRO A 47 0.860 7.184 14.422 1.00 1.26 H new ATOM 702 N GLN A 48 3.340 11.363 13.210 1.00 0.95 N ATOM 703 CA GLN A 48 4.123 12.080 12.188 1.00 0.84 C ATOM 704 C GLN A 48 3.596 13.494 11.939 1.00 0.90 C ATOM 705 O GLN A 48 4.359 14.453 12.052 1.00 1.04 O ATOM 706 CB GLN A 48 4.331 11.282 10.879 1.00 0.83 C ATOM 707 CG GLN A 48 3.096 10.733 10.194 1.00 1.00 C ATOM 708 CD GLN A 48 2.643 9.424 10.799 1.00 1.29 C ATOM 709 OE1 GLN A 48 3.458 8.551 11.098 1.00 2.23 O ATOM 710 NE2 GLN A 48 1.341 9.270 10.950 1.00 1.15 N ATOM 0 H GLN A 48 3.911 11.068 14.002 1.00 0.95 H new ATOM 0 HA GLN A 48 5.121 12.185 12.613 1.00 0.84 H new ATOM 0 HB2 GLN A 48 4.851 11.927 10.170 1.00 0.83 H new ATOM 0 HB3 GLN A 48 4.996 10.446 11.096 1.00 0.83 H new ATOM 0 HG2 GLN A 48 2.289 11.462 10.264 1.00 1.00 H new ATOM 0 HG3 GLN A 48 3.304 10.589 9.134 1.00 1.00 H new ATOM 0 HE21 GLN A 48 0.705 10.023 10.688 1.00 1.15 H new ATOM 0 HE22 GLN A 48 0.971 8.398 11.329 1.00 1.15 H new ATOM 719 N ASP A 49 2.304 13.622 11.649 1.00 0.99 N ATOM 720 CA ASP A 49 1.668 14.928 11.429 1.00 1.16 C ATOM 721 C ASP A 49 0.351 14.797 10.670 1.00 1.20 C ATOM 722 O ASP A 49 -0.501 15.683 10.739 1.00 1.33 O ATOM 723 CB ASP A 49 2.587 15.881 10.656 1.00 1.28 C ATOM 724 CG ASP A 49 1.977 17.259 10.483 1.00 1.51 C ATOM 725 OD1 ASP A 49 1.681 17.908 11.508 1.00 1.81 O ATOM 726 OD2 ASP A 49 1.799 17.689 9.325 1.00 1.70 O ATOM 0 H ASP A 49 1.667 12.831 11.559 1.00 0.99 H new ATOM 0 HA ASP A 49 1.471 15.339 12.419 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.538 15.971 11.182 1.00 1.28 H new ATOM 0 HB3 ASP A 49 2.804 15.457 9.676 1.00 1.28 H new ATOM 731 N GLN A 50 0.198 13.704 9.926 1.00 1.19 N ATOM 732 CA GLN A 50 -1.006 13.483 9.127 1.00 1.31 C ATOM 733 C GLN A 50 -1.287 14.727 8.267 1.00 1.33 C ATOM 734 O GLN A 50 -2.384 15.284 8.302 1.00 1.40 O ATOM 735 CB GLN A 50 -2.205 13.206 10.032 1.00 1.42 C ATOM 736 CG GLN A 50 -1.871 12.406 11.282 1.00 1.67 C ATOM 737 CD GLN A 50 -2.111 10.918 11.118 1.00 1.43 C ATOM 738 OE1 GLN A 50 -3.244 10.482 10.929 1.00 2.03 O ATOM 739 NE2 GLN A 50 -1.040 10.139 11.183 1.00 1.24 N ATOM 0 H GLN A 50 0.891 12.959 9.859 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.846 12.618 8.483 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -2.648 14.156 10.330 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.961 12.667 9.460 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -0.826 12.573 11.544 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -2.471 12.775 12.114 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -0.120 10.549 11.342 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -1.136 9.129 11.074 1.00 1.24 H new ATOM 748 N PRO A 51 -0.271 15.198 7.516 1.00 1.35 N ATOM 749 CA PRO A 51 -0.366 16.407 6.675 1.00 1.46 C ATOM 750 C PRO A 51 -1.442 16.360 5.581 1.00 1.54 C ATOM 751 O PRO A 51 -2.483 17.005 5.709 1.00 2.26 O ATOM 752 CB PRO A 51 1.030 16.522 6.051 1.00 1.52 C ATOM 753 CG PRO A 51 1.916 15.739 6.957 1.00 1.53 C ATOM 754 CD PRO A 51 1.077 14.612 7.464 1.00 1.37 C ATOM 0 HA PRO A 51 -0.668 17.261 7.281 1.00 1.46 H new ATOM 0 HB2 PRO A 51 1.045 16.120 5.038 1.00 1.52 H new ATOM 0 HB3 PRO A 51 1.350 17.562 5.986 1.00 1.52 H new ATOM 0 HG2 PRO A 51 2.791 15.367 6.424 1.00 1.53 H new ATOM 0 HG3 PRO A 51 2.281 16.356 7.778 1.00 1.53 H new ATOM 0 HD2 PRO A 51 1.116 13.749 6.799 1.00 1.37 H new ATOM 0 HD3 PRO A 51 1.408 14.273 8.446 1.00 1.37 H new ATOM 762 N ASP A 52 -1.190 15.621 4.496 1.00 1.24 N ATOM 763 CA ASP A 52 -2.153 15.544 3.395 1.00 1.23 C ATOM 764 C ASP A 52 -2.584 14.126 3.135 1.00 0.91 C ATOM 765 O ASP A 52 -3.414 13.876 2.270 1.00 1.55 O ATOM 766 CB ASP A 52 -1.578 16.089 2.103 1.00 1.67 C ATOM 767 CG ASP A 52 -0.654 17.272 2.313 1.00 2.16 C ATOM 768 OD1 ASP A 52 0.384 17.101 2.985 1.00 2.56 O ATOM 769 OD2 ASP A 52 -0.968 18.370 1.807 1.00 2.69 O ATOM 0 H ASP A 52 -0.340 15.075 4.358 1.00 1.24 H new ATOM 0 HA ASP A 52 -3.006 16.147 3.706 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -1.032 15.296 1.593 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -2.395 16.387 1.446 1.00 1.67 H new ATOM 774 N TYR A 53 -2.037 13.200 3.894 1.00 0.76 N ATOM 775 CA TYR A 53 -2.398 11.806 3.763 1.00 1.08 C ATOM 776 C TYR A 53 -2.596 11.347 2.315 1.00 0.87 C ATOM 777 O TYR A 53 -3.649 10.801 1.985 1.00 0.98 O ATOM 778 CB TYR A 53 -3.678 11.558 4.546 1.00 1.83 C ATOM 779 CG TYR A 53 -4.425 12.814 4.970 1.00 2.62 C ATOM 780 CD1 TYR A 53 -4.098 13.481 6.145 1.00 3.32 C ATOM 781 CD2 TYR A 53 -5.449 13.337 4.186 1.00 3.26 C ATOM 782 CE1 TYR A 53 -4.768 14.627 6.527 1.00 4.46 C ATOM 783 CE2 TYR A 53 -6.123 14.483 4.564 1.00 4.34 C ATOM 784 CZ TYR A 53 -5.803 15.102 5.755 1.00 4.90 C ATOM 785 OH TYR A 53 -6.449 16.264 6.111 1.00 6.13 O ATOM 0 H TYR A 53 -1.337 13.390 4.611 1.00 0.76 H new ATOM 0 HA TYR A 53 -1.563 11.226 4.156 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -4.344 10.944 3.940 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -3.435 10.980 5.437 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -3.306 13.096 6.770 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -5.722 12.839 3.267 1.00 3.26 H new ATOM 0 HE1 TYR A 53 -4.480 15.148 7.428 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -6.896 14.892 3.930 1.00 4.34 H new ATOM 0 HH TYR A 53 -7.154 16.459 5.459 1.00 6.13 H new ATOM 795 N LEU A 54 -1.600 11.529 1.450 1.00 0.72 N ATOM 796 CA LEU A 54 -1.751 11.071 0.072 1.00 0.59 C ATOM 797 C LEU A 54 -1.530 9.568 0.007 1.00 0.61 C ATOM 798 O LEU A 54 -0.599 9.040 0.613 1.00 0.88 O ATOM 799 CB LEU A 54 -0.793 11.790 -0.889 1.00 0.60 C ATOM 800 CG LEU A 54 -0.915 11.383 -2.359 1.00 0.54 C ATOM 801 CD1 LEU A 54 -0.309 12.451 -3.254 1.00 0.92 C ATOM 802 CD2 LEU A 54 -0.244 10.046 -2.620 1.00 1.10 C ATOM 0 H LEU A 54 -0.709 11.975 1.668 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.765 11.311 -0.248 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.964 12.864 -0.811 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.230 11.606 -0.562 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.976 11.281 -2.589 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -0.403 12.148 -4.297 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -0.834 13.394 -3.101 1.00 0.92 H new ATOM 0 HD13 LEU A 54 0.745 12.578 -3.007 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.349 9.786 -3.673 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.814 10.114 -2.366 1.00 1.10 H new ATOM 0 HD23 LEU A 54 -0.715 9.277 -2.008 1.00 1.10 H new ATOM 814 N ASN A 55 -2.393 8.887 -0.732 1.00 0.50 N ATOM 815 CA ASN A 55 -2.292 7.441 -0.879 1.00 0.58 C ATOM 816 C ASN A 55 -2.579 7.020 -2.314 1.00 0.57 C ATOM 817 O ASN A 55 -3.229 7.749 -3.063 1.00 0.70 O ATOM 818 CB ASN A 55 -3.264 6.739 0.068 1.00 0.82 C ATOM 819 CG ASN A 55 -3.137 5.232 0.002 1.00 1.80 C ATOM 820 OD1 ASN A 55 -2.135 4.662 0.430 1.00 2.63 O ATOM 821 ND2 ASN A 55 -4.150 4.578 -0.554 1.00 2.49 N ATOM 0 H ASN A 55 -3.170 9.311 -1.239 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.273 7.149 -0.626 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -3.080 7.073 1.089 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -4.285 7.027 -0.182 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -4.116 3.562 -0.639 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -4.962 5.091 -0.896 1.00 2.49 H new ATOM 828 N ALA A 56 -2.093 5.843 -2.692 1.00 0.51 N ATOM 829 CA ALA A 56 -2.300 5.333 -4.042 1.00 0.57 C ATOM 830 C ALA A 56 -1.817 3.892 -4.182 1.00 0.54 C ATOM 831 O ALA A 56 -0.616 3.645 -4.288 1.00 0.75 O ATOM 832 CB ALA A 56 -1.582 6.219 -5.049 1.00 0.61 C ATOM 0 H ALA A 56 -1.554 5.226 -2.084 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.372 5.347 -4.241 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -1.742 5.830 -6.055 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -1.974 7.234 -4.985 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -0.514 6.228 -4.829 1.00 0.61 H new ATOM 838 N ALA A 57 -2.753 2.945 -4.204 1.00 0.31 N ATOM 839 CA ALA A 57 -2.396 1.542 -4.356 1.00 0.29 C ATOM 840 C ALA A 57 -1.843 1.294 -5.756 1.00 0.29 C ATOM 841 O ALA A 57 -1.933 2.165 -6.622 1.00 0.39 O ATOM 842 CB ALA A 57 -3.606 0.662 -4.095 1.00 0.33 C ATOM 0 H ALA A 57 -3.754 3.124 -4.119 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.625 1.290 -3.628 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.326 -0.385 -4.212 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -3.966 0.830 -3.080 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.395 0.908 -4.806 1.00 0.33 H new ATOM 848 N VAL A 58 -1.271 0.114 -5.985 1.00 0.26 N ATOM 849 CA VAL A 58 -0.719 -0.201 -7.298 1.00 0.27 C ATOM 850 C VAL A 58 -0.454 -1.694 -7.471 1.00 0.27 C ATOM 851 O VAL A 58 0.281 -2.300 -6.691 1.00 0.28 O ATOM 852 CB VAL A 58 0.585 0.583 -7.557 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.601 0.321 -6.456 1.00 1.20 C ATOM 854 CG2 VAL A 58 1.163 0.230 -8.920 1.00 0.98 C ATOM 0 H VAL A 58 -1.179 -0.628 -5.291 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.472 0.098 -8.027 1.00 0.27 H new ATOM 0 HB VAL A 58 0.348 1.647 -7.553 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.512 0.884 -6.660 1.00 1.20 H new ATOM 0 HG12 VAL A 58 1.188 0.634 -5.497 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.833 -0.743 -6.421 1.00 1.20 H new ATOM 0 HG21 VAL A 58 2.082 0.794 -9.083 1.00 0.98 H new ATOM 0 HG22 VAL A 58 1.381 -0.837 -8.958 1.00 0.98 H new ATOM 0 HG23 VAL A 58 0.441 0.481 -9.697 1.00 0.98 H new ATOM 864 N ALA A 59 -1.056 -2.281 -8.505 1.00 0.28 N ATOM 865 CA ALA A 59 -0.875 -3.698 -8.780 1.00 0.29 C ATOM 866 C ALA A 59 0.477 -3.958 -9.431 1.00 0.31 C ATOM 867 O ALA A 59 0.783 -3.423 -10.498 1.00 0.50 O ATOM 868 CB ALA A 59 -1.984 -4.203 -9.688 1.00 0.31 C ATOM 0 H ALA A 59 -1.669 -1.797 -9.160 1.00 0.28 H new ATOM 0 HA ALA A 59 -0.913 -4.233 -7.831 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -1.837 -5.265 -9.886 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -2.948 -4.055 -9.202 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -1.963 -3.652 -10.628 1.00 0.31 H new ATOM 874 N LEU A 60 1.278 -4.788 -8.777 1.00 0.28 N ATOM 875 CA LEU A 60 2.602 -5.139 -9.271 1.00 0.28 C ATOM 876 C LEU A 60 2.622 -6.585 -9.742 1.00 0.30 C ATOM 877 O LEU A 60 2.561 -7.510 -8.934 1.00 0.33 O ATOM 878 CB LEU A 60 3.650 -4.939 -8.171 1.00 0.29 C ATOM 879 CG LEU A 60 5.051 -5.481 -8.480 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.709 -4.676 -9.587 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.910 -5.464 -7.227 1.00 0.31 C ATOM 0 H LEU A 60 1.030 -5.235 -7.894 1.00 0.28 H new ATOM 0 HA LEU A 60 2.841 -4.488 -10.112 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.731 -3.872 -7.962 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.289 -5.416 -7.260 1.00 0.29 H new ATOM 0 HG LEU A 60 4.953 -6.511 -8.822 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.702 -5.079 -9.789 1.00 0.35 H new ATOM 0 HD12 LEU A 60 5.102 -4.736 -10.491 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.796 -3.635 -9.277 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.902 -5.851 -7.460 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.997 -4.442 -6.859 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.448 -6.087 -6.461 1.00 0.31 H new ATOM 893 N GLU A 61 2.720 -6.776 -11.049 1.00 0.32 N ATOM 894 CA GLU A 61 2.757 -8.118 -11.605 1.00 0.36 C ATOM 895 C GLU A 61 4.123 -8.721 -11.333 1.00 0.34 C ATOM 896 O GLU A 61 5.067 -8.527 -12.099 1.00 0.36 O ATOM 897 CB GLU A 61 2.486 -8.076 -13.106 1.00 0.43 C ATOM 898 CG GLU A 61 2.178 -9.437 -13.709 1.00 0.52 C ATOM 899 CD GLU A 61 1.886 -9.369 -15.196 1.00 1.37 C ATOM 900 OE1 GLU A 61 1.935 -8.256 -15.762 1.00 1.88 O ATOM 901 OE2 GLU A 61 1.609 -10.429 -15.795 1.00 2.11 O ATOM 0 H GLU A 61 2.775 -6.026 -11.738 1.00 0.32 H new ATOM 0 HA GLU A 61 1.986 -8.731 -11.138 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.648 -7.406 -13.296 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.354 -7.652 -13.611 1.00 0.43 H new ATOM 0 HG2 GLU A 61 3.023 -10.104 -13.540 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.321 -9.872 -13.195 1.00 0.52 H new ATOM 908 N THR A 62 4.230 -9.423 -10.213 1.00 0.34 N ATOM 909 CA THR A 62 5.494 -10.018 -9.814 1.00 0.35 C ATOM 910 C THR A 62 5.351 -11.489 -9.460 1.00 0.39 C ATOM 911 O THR A 62 4.248 -12.005 -9.287 1.00 0.61 O ATOM 912 CB THR A 62 6.054 -9.260 -8.607 1.00 0.40 C ATOM 913 OG1 THR A 62 7.276 -9.831 -8.174 1.00 0.43 O ATOM 914 CG2 THR A 62 5.113 -9.242 -7.421 1.00 0.52 C ATOM 0 H THR A 62 3.458 -9.593 -9.568 1.00 0.34 H new ATOM 0 HA THR A 62 6.174 -9.946 -10.663 1.00 0.35 H new ATOM 0 HB THR A 62 6.198 -8.237 -8.954 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.799 -10.114 -8.953 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.571 -8.689 -6.601 1.00 0.52 H new ATOM 0 HG22 THR A 62 4.178 -8.760 -7.706 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.911 -10.264 -7.101 1.00 0.52 H new ATOM 922 N SER A 63 6.494 -12.143 -9.329 1.00 0.37 N ATOM 923 CA SER A 63 6.555 -13.545 -8.963 1.00 0.48 C ATOM 924 C SER A 63 7.513 -13.701 -7.797 1.00 0.42 C ATOM 925 O SER A 63 7.756 -14.806 -7.313 1.00 0.45 O ATOM 926 CB SER A 63 7.013 -14.396 -10.150 1.00 0.69 C ATOM 927 OG SER A 63 6.138 -14.248 -11.253 1.00 1.22 O ATOM 0 H SER A 63 7.407 -11.713 -9.474 1.00 0.37 H new ATOM 0 HA SER A 63 5.562 -13.889 -8.673 1.00 0.48 H new ATOM 0 HB2 SER A 63 8.022 -14.105 -10.441 1.00 0.69 H new ATOM 0 HB3 SER A 63 7.056 -15.444 -9.854 1.00 0.69 H new ATOM 0 HG SER A 63 6.454 -14.801 -11.998 1.00 1.22 H new ATOM 933 N LEU A 64 8.049 -12.565 -7.350 1.00 0.37 N ATOM 934 CA LEU A 64 8.984 -12.544 -6.234 1.00 0.35 C ATOM 935 C LEU A 64 8.287 -13.066 -4.975 1.00 0.50 C ATOM 936 O LEU A 64 7.083 -12.866 -4.801 1.00 0.82 O ATOM 937 CB LEU A 64 9.510 -11.114 -6.033 1.00 0.49 C ATOM 938 CG LEU A 64 10.857 -10.981 -5.308 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.719 -11.339 -3.839 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.914 -11.855 -5.972 1.00 0.84 C ATOM 0 H LEU A 64 7.849 -11.647 -7.747 1.00 0.37 H new ATOM 0 HA LEU A 64 9.835 -13.192 -6.444 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.600 -10.642 -7.011 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.763 -10.550 -5.474 1.00 0.49 H new ATOM 0 HG LEU A 64 11.176 -9.941 -5.377 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.686 -11.237 -3.347 1.00 0.90 H new ATOM 0 HD12 LEU A 64 10.000 -10.669 -3.367 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.372 -12.368 -3.746 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.861 -11.746 -5.443 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.597 -12.897 -5.939 1.00 0.84 H new ATOM 0 HD23 LEU A 64 12.041 -11.547 -7.010 1.00 0.84 H new ATOM 952 N ALA A 65 9.038 -13.747 -4.111 1.00 0.58 N ATOM 953 CA ALA A 65 8.481 -14.310 -2.886 1.00 0.89 C ATOM 954 C ALA A 65 7.702 -13.262 -2.098 1.00 0.60 C ATOM 955 O ALA A 65 8.172 -12.142 -1.919 1.00 0.59 O ATOM 956 CB ALA A 65 9.589 -14.902 -2.027 1.00 1.41 C ATOM 0 H ALA A 65 10.035 -13.921 -4.239 1.00 0.58 H new ATOM 0 HA ALA A 65 7.787 -15.103 -3.166 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.160 -15.319 -1.116 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.098 -15.690 -2.582 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.304 -14.122 -1.767 1.00 1.41 H new ATOM 962 N PRO A 66 6.494 -13.612 -1.618 1.00 0.50 N ATOM 963 CA PRO A 66 5.658 -12.687 -0.851 1.00 0.40 C ATOM 964 C PRO A 66 6.345 -12.164 0.398 1.00 0.41 C ATOM 965 O PRO A 66 5.880 -11.212 1.017 1.00 0.62 O ATOM 966 CB PRO A 66 4.449 -13.522 -0.438 1.00 0.47 C ATOM 967 CG PRO A 66 4.831 -14.944 -0.676 1.00 0.75 C ATOM 968 CD PRO A 66 5.847 -14.925 -1.784 1.00 0.64 C ATOM 0 HA PRO A 66 5.415 -11.809 -1.450 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.199 -13.355 0.610 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.570 -13.251 -1.022 1.00 0.47 H new ATOM 0 HG2 PRO A 66 5.247 -15.392 0.226 1.00 0.75 H new ATOM 0 HG3 PRO A 66 3.962 -15.539 -0.955 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.562 -15.742 -1.690 1.00 0.64 H new ATOM 0 HD3 PRO A 66 5.378 -15.023 -2.763 1.00 0.64 H new ATOM 976 N GLU A 67 7.439 -12.804 0.775 1.00 0.40 N ATOM 977 CA GLU A 67 8.170 -12.405 1.962 1.00 0.44 C ATOM 978 C GLU A 67 9.255 -11.398 1.617 1.00 0.37 C ATOM 979 O GLU A 67 9.527 -10.475 2.381 1.00 0.40 O ATOM 980 CB GLU A 67 8.792 -13.626 2.629 1.00 0.57 C ATOM 981 CG GLU A 67 9.809 -14.312 1.745 1.00 0.65 C ATOM 982 CD GLU A 67 10.172 -15.704 2.225 1.00 0.80 C ATOM 983 OE1 GLU A 67 10.678 -15.827 3.362 1.00 1.28 O ATOM 984 OE2 GLU A 67 9.951 -16.671 1.466 1.00 1.19 O ATOM 0 H GLU A 67 7.838 -13.600 0.277 1.00 0.40 H new ATOM 0 HA GLU A 67 7.469 -11.935 2.652 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.270 -13.323 3.561 1.00 0.57 H new ATOM 0 HB3 GLU A 67 8.005 -14.334 2.890 1.00 0.57 H new ATOM 0 HG2 GLU A 67 9.416 -14.375 0.730 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.712 -13.703 1.700 1.00 0.65 H new ATOM 991 N GLU A 68 9.885 -11.597 0.468 1.00 0.34 N ATOM 992 CA GLU A 68 10.959 -10.707 0.035 1.00 0.31 C ATOM 993 C GLU A 68 10.444 -9.524 -0.781 1.00 0.29 C ATOM 994 O GLU A 68 11.105 -8.490 -0.852 1.00 0.30 O ATOM 995 CB GLU A 68 12.022 -11.472 -0.749 1.00 0.37 C ATOM 996 CG GLU A 68 13.236 -10.624 -1.100 1.00 0.34 C ATOM 997 CD GLU A 68 14.374 -11.454 -1.668 1.00 0.53 C ATOM 998 OE1 GLU A 68 14.878 -12.345 -0.952 1.00 1.21 O ATOM 999 OE2 GLU A 68 14.763 -11.209 -2.829 1.00 1.02 O ATOM 0 H GLU A 68 9.676 -12.358 -0.178 1.00 0.34 H new ATOM 0 HA GLU A 68 11.412 -10.303 0.940 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.346 -12.333 -0.164 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.579 -11.858 -1.667 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.947 -9.863 -1.825 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.581 -10.101 -0.208 1.00 0.34 H new ATOM 1006 N LEU A 69 9.273 -9.671 -1.401 1.00 0.32 N ATOM 1007 CA LEU A 69 8.710 -8.591 -2.205 1.00 0.36 C ATOM 1008 C LEU A 69 8.651 -7.308 -1.388 1.00 0.35 C ATOM 1009 O LEU A 69 9.337 -6.339 -1.708 1.00 0.41 O ATOM 1010 CB LEU A 69 7.330 -8.970 -2.732 1.00 0.42 C ATOM 1011 CG LEU A 69 6.558 -7.833 -3.399 1.00 0.54 C ATOM 1012 CD1 LEU A 69 7.293 -7.349 -4.641 1.00 1.08 C ATOM 1013 CD2 LEU A 69 5.153 -8.287 -3.753 1.00 1.51 C ATOM 0 H LEU A 69 8.704 -10.516 -1.362 1.00 0.32 H new ATOM 0 HA LEU A 69 9.357 -8.422 -3.066 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.443 -9.782 -3.450 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.735 -9.356 -1.904 1.00 0.42 H new ATOM 0 HG LEU A 69 6.486 -7.002 -2.697 1.00 0.54 H new ATOM 0 HD11 LEU A 69 6.730 -6.539 -5.104 1.00 1.08 H new ATOM 0 HD12 LEU A 69 8.283 -6.989 -4.361 1.00 1.08 H new ATOM 0 HD13 LEU A 69 7.393 -8.172 -5.348 1.00 1.08 H new ATOM 0 HD21 LEU A 69 4.614 -7.467 -4.228 1.00 1.51 H new ATOM 0 HD22 LEU A 69 5.206 -9.132 -4.440 1.00 1.51 H new ATOM 0 HD23 LEU A 69 4.629 -8.589 -2.846 1.00 1.51 H new ATOM 1025 N LEU A 70 7.866 -7.315 -0.312 1.00 0.33 N ATOM 1026 CA LEU A 70 7.788 -6.149 0.563 1.00 0.39 C ATOM 1027 C LEU A 70 9.201 -5.743 0.937 1.00 0.42 C ATOM 1028 O LEU A 70 9.577 -4.576 0.847 1.00 0.61 O ATOM 1029 CB LEU A 70 6.973 -6.471 1.823 1.00 0.44 C ATOM 1030 CG LEU A 70 7.087 -5.472 2.982 1.00 0.58 C ATOM 1031 CD1 LEU A 70 5.876 -5.586 3.894 1.00 1.16 C ATOM 1032 CD2 LEU A 70 8.355 -5.714 3.788 1.00 1.01 C ATOM 0 H LEU A 70 7.283 -8.103 -0.029 1.00 0.33 H new ATOM 0 HA LEU A 70 7.287 -5.331 0.046 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.923 -6.548 1.540 1.00 0.44 H new ATOM 0 HB3 LEU A 70 7.279 -7.452 2.186 1.00 0.44 H new ATOM 0 HG LEU A 70 7.130 -4.469 2.558 1.00 0.58 H new ATOM 0 HD11 LEU A 70 5.968 -4.872 4.713 1.00 1.16 H new ATOM 0 HD12 LEU A 70 4.971 -5.371 3.326 1.00 1.16 H new ATOM 0 HD13 LEU A 70 5.819 -6.597 4.299 1.00 1.16 H new ATOM 0 HD21 LEU A 70 8.411 -4.993 4.603 1.00 1.01 H new ATOM 0 HD22 LEU A 70 8.338 -6.724 4.198 1.00 1.01 H new ATOM 0 HD23 LEU A 70 9.225 -5.599 3.141 1.00 1.01 H new ATOM 1044 N ASN A 71 9.983 -6.738 1.338 1.00 0.31 N ATOM 1045 CA ASN A 71 11.378 -6.520 1.712 1.00 0.35 C ATOM 1046 C ASN A 71 12.095 -5.688 0.653 1.00 0.38 C ATOM 1047 O ASN A 71 12.930 -4.845 0.972 1.00 0.45 O ATOM 1048 CB ASN A 71 12.100 -7.856 1.897 1.00 0.36 C ATOM 1049 CG ASN A 71 11.626 -8.629 3.117 1.00 1.06 C ATOM 1050 OD1 ASN A 71 12.128 -9.715 3.405 1.00 1.87 O ATOM 1051 ND2 ASN A 71 10.656 -8.079 3.844 1.00 1.53 N ATOM 0 H ASN A 71 9.675 -7.707 1.413 1.00 0.31 H new ATOM 0 HA ASN A 71 11.393 -5.976 2.657 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.952 -8.468 1.007 1.00 0.36 H new ATOM 0 HB3 ASN A 71 13.171 -7.674 1.984 1.00 0.36 H new ATOM 0 HD21 ASN A 71 10.304 -8.560 4.672 1.00 1.53 H new ATOM 0 HD22 ASN A 71 10.265 -7.177 3.573 1.00 1.53 H new ATOM 1058 N HIS A 72 11.739 -5.916 -0.609 1.00 0.35 N ATOM 1059 CA HIS A 72 12.325 -5.172 -1.713 1.00 0.42 C ATOM 1060 C HIS A 72 11.771 -3.761 -1.722 1.00 0.41 C ATOM 1061 O HIS A 72 12.522 -2.787 -1.737 1.00 0.43 O ATOM 1062 CB HIS A 72 12.030 -5.848 -3.051 1.00 0.51 C ATOM 1063 CG HIS A 72 12.869 -7.057 -3.317 1.00 1.07 C ATOM 1064 ND1 HIS A 72 14.245 -7.033 -3.306 1.00 2.09 N ATOM 1065 CD2 HIS A 72 12.517 -8.326 -3.628 1.00 1.39 C ATOM 1066 CE1 HIS A 72 14.707 -8.236 -3.599 1.00 2.99 C ATOM 1067 NE2 HIS A 72 13.678 -9.038 -3.799 1.00 2.56 N ATOM 0 H HIS A 72 11.047 -6.611 -0.889 1.00 0.35 H new ATOM 0 HA HIS A 72 13.406 -5.146 -1.575 1.00 0.42 H new ATOM 0 HB2 HIS A 72 10.979 -6.134 -3.078 1.00 0.51 H new ATOM 0 HB3 HIS A 72 12.185 -5.127 -3.853 1.00 0.51 H new ATOM 0 HD2 HIS A 72 11.511 -8.707 -3.724 1.00 1.39 H new ATOM 0 HE1 HIS A 72 15.748 -8.515 -3.664 1.00 2.99 H new ATOM 0 HE2 HIS A 72 13.736 -10.027 -4.041 1.00 2.56 H new ATOM 1076 N THR A 73 10.443 -3.664 -1.694 1.00 0.45 N ATOM 1077 CA THR A 73 9.777 -2.372 -1.679 1.00 0.49 C ATOM 1078 C THR A 73 10.283 -1.536 -0.509 1.00 0.46 C ATOM 1079 O THR A 73 10.159 -0.312 -0.502 1.00 0.47 O ATOM 1080 CB THR A 73 8.259 -2.553 -1.592 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.896 -3.235 -0.406 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.681 -3.321 -2.760 1.00 0.66 C ATOM 0 H THR A 73 9.812 -4.465 -1.681 1.00 0.45 H new ATOM 0 HA THR A 73 10.007 -1.849 -2.607 1.00 0.49 H new ATOM 0 HB THR A 73 7.850 -1.543 -1.602 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.703 -3.463 0.100 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.602 -3.414 -2.636 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.896 -2.789 -3.687 1.00 0.66 H new ATOM 0 HG23 THR A 73 8.128 -4.314 -2.799 1.00 0.66 H new ATOM 1090 N GLN A 74 10.879 -2.215 0.469 1.00 0.49 N ATOM 1091 CA GLN A 74 11.437 -1.550 1.639 1.00 0.49 C ATOM 1092 C GLN A 74 12.638 -0.704 1.237 1.00 0.43 C ATOM 1093 O GLN A 74 12.817 0.415 1.719 1.00 0.45 O ATOM 1094 CB GLN A 74 11.853 -2.585 2.689 1.00 0.60 C ATOM 1095 CG GLN A 74 10.683 -3.281 3.365 1.00 0.65 C ATOM 1096 CD GLN A 74 9.847 -2.358 4.238 1.00 0.87 C ATOM 1097 OE1 GLN A 74 8.825 -2.768 4.786 1.00 1.66 O ATOM 1098 NE2 GLN A 74 10.279 -1.108 4.384 1.00 1.05 N ATOM 0 H GLN A 74 10.987 -3.229 0.472 1.00 0.49 H new ATOM 0 HA GLN A 74 10.674 -0.901 2.069 1.00 0.49 H new ATOM 0 HB2 GLN A 74 12.485 -3.336 2.214 1.00 0.60 H new ATOM 0 HB3 GLN A 74 12.459 -2.093 3.450 1.00 0.60 H new ATOM 0 HG2 GLN A 74 10.043 -3.723 2.601 1.00 0.65 H new ATOM 0 HG3 GLN A 74 11.062 -4.100 3.976 1.00 0.65 H new ATOM 0 HE21 GLN A 74 11.132 -0.805 3.913 1.00 1.05 H new ATOM 0 HE22 GLN A 74 9.758 -0.453 4.967 1.00 1.05 H new ATOM 1107 N ARG A 75 13.455 -1.251 0.341 1.00 0.44 N ATOM 1108 CA ARG A 75 14.640 -0.557 -0.143 1.00 0.46 C ATOM 1109 C ARG A 75 14.258 0.717 -0.890 1.00 0.43 C ATOM 1110 O ARG A 75 14.935 1.735 -0.773 1.00 0.52 O ATOM 1111 CB ARG A 75 15.462 -1.481 -1.048 1.00 0.59 C ATOM 1112 CG ARG A 75 16.608 -0.786 -1.769 1.00 1.17 C ATOM 1113 CD ARG A 75 17.579 -0.130 -0.797 1.00 1.93 C ATOM 1114 NE ARG A 75 18.166 -1.091 0.131 1.00 2.51 N ATOM 1115 CZ ARG A 75 19.095 -0.774 1.028 1.00 2.97 C ATOM 1116 NH1 ARG A 75 19.553 0.469 1.101 1.00 3.08 N ATOM 1117 NH2 ARG A 75 19.569 -1.699 1.851 1.00 3.82 N ATOM 0 H ARG A 75 13.315 -2.176 -0.065 1.00 0.44 H new ATOM 0 HA ARG A 75 15.247 -0.276 0.717 1.00 0.46 H new ATOM 0 HB2 ARG A 75 15.866 -2.295 -0.447 1.00 0.59 H new ATOM 0 HB3 ARG A 75 14.800 -1.930 -1.789 1.00 0.59 H new ATOM 0 HG2 ARG A 75 17.143 -1.511 -2.382 1.00 1.17 H new ATOM 0 HG3 ARG A 75 16.206 -0.031 -2.445 1.00 1.17 H new ATOM 0 HD2 ARG A 75 18.374 0.363 -1.357 1.00 1.93 H new ATOM 0 HD3 ARG A 75 17.058 0.645 -0.234 1.00 1.93 H new ATOM 0 HE ARG A 75 17.846 -2.059 0.089 1.00 2.51 H new ATOM 0 HH11 ARG A 75 19.192 1.183 0.468 1.00 3.08 H new ATOM 0 HH12 ARG A 75 20.266 0.710 1.790 1.00 3.08 H new ATOM 0 HH21 ARG A 75 19.221 -2.656 1.797 1.00 3.82 H new ATOM 0 HH22 ARG A 75 20.282 -1.453 2.538 1.00 3.82 H new ATOM 1131 N ILE A 76 13.164 0.657 -1.649 1.00 0.43 N ATOM 1132 CA ILE A 76 12.694 1.818 -2.400 1.00 0.48 C ATOM 1133 C ILE A 76 12.496 3.009 -1.471 1.00 0.49 C ATOM 1134 O ILE A 76 12.862 4.139 -1.804 1.00 0.60 O ATOM 1135 CB ILE A 76 11.365 1.530 -3.141 1.00 0.53 C ATOM 1136 CG1 ILE A 76 11.580 0.544 -4.293 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.754 2.823 -3.663 1.00 0.64 C ATOM 1138 CD1 ILE A 76 11.985 -0.843 -3.852 1.00 1.42 C ATOM 0 H ILE A 76 12.590 -0.179 -1.759 1.00 0.43 H new ATOM 0 HA ILE A 76 13.459 2.047 -3.142 1.00 0.48 H new ATOM 0 HB ILE A 76 10.675 1.078 -2.429 1.00 0.53 H new ATOM 0 HG12 ILE A 76 10.660 0.475 -4.874 1.00 0.62 H new ATOM 0 HG13 ILE A 76 12.347 0.941 -4.958 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.821 2.601 -4.181 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.555 3.494 -2.828 1.00 0.64 H new ATOM 0 HG23 ILE A 76 11.448 3.300 -4.355 1.00 0.64 H new ATOM 0 HD11 ILE A 76 12.117 -1.479 -4.727 1.00 1.42 H new ATOM 0 HD12 ILE A 76 12.922 -0.789 -3.298 1.00 1.42 H new ATOM 0 HD13 ILE A 76 11.209 -1.263 -3.212 1.00 1.42 H new ATOM 1150 N GLU A 77 11.921 2.749 -0.303 1.00 0.45 N ATOM 1151 CA GLU A 77 11.679 3.794 0.682 1.00 0.52 C ATOM 1152 C GLU A 77 13.001 4.374 1.169 1.00 0.52 C ATOM 1153 O GLU A 77 13.088 5.554 1.505 1.00 0.71 O ATOM 1154 CB GLU A 77 10.871 3.235 1.851 1.00 0.59 C ATOM 1155 CG GLU A 77 10.301 4.297 2.775 1.00 0.95 C ATOM 1156 CD GLU A 77 9.392 3.711 3.839 1.00 1.15 C ATOM 1157 OE1 GLU A 77 8.409 3.033 3.467 1.00 1.52 O ATOM 1158 OE2 GLU A 77 9.656 3.930 5.038 1.00 1.59 O ATOM 0 H GLU A 77 11.613 1.820 -0.015 1.00 0.45 H new ATOM 0 HA GLU A 77 11.104 4.595 0.216 1.00 0.52 H new ATOM 0 HB2 GLU A 77 10.052 2.633 1.458 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.507 2.567 2.432 1.00 0.59 H new ATOM 0 HG2 GLU A 77 11.119 4.834 3.255 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.744 5.026 2.186 1.00 0.95 H new ATOM 1165 N LEU A 78 14.032 3.536 1.180 1.00 0.47 N ATOM 1166 CA LEU A 78 15.361 3.961 1.598 1.00 0.56 C ATOM 1167 C LEU A 78 16.034 4.747 0.480 1.00 0.57 C ATOM 1168 O LEU A 78 16.821 5.659 0.733 1.00 0.66 O ATOM 1169 CB LEU A 78 16.221 2.750 1.974 1.00 0.63 C ATOM 1170 CG LEU A 78 15.781 1.999 3.232 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.636 0.760 3.440 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.859 2.911 4.449 1.00 0.84 C ATOM 0 H LEU A 78 13.971 2.556 0.903 1.00 0.47 H new ATOM 0 HA LEU A 78 15.259 4.601 2.474 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.222 2.052 1.137 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.249 3.084 2.112 1.00 0.63 H new ATOM 0 HG LEU A 78 14.746 1.684 3.101 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.308 0.239 4.339 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.534 0.099 2.580 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.680 1.053 3.550 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.543 2.362 5.336 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.885 3.254 4.581 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.205 3.771 4.302 1.00 0.84 H new ATOM 1184 N GLN A 79 15.706 4.388 -0.759 1.00 0.56 N ATOM 1185 CA GLN A 79 16.270 5.060 -1.923 1.00 0.63 C ATOM 1186 C GLN A 79 15.572 6.390 -2.169 1.00 0.66 C ATOM 1187 O GLN A 79 16.077 7.240 -2.903 1.00 0.84 O ATOM 1188 CB GLN A 79 16.144 4.174 -3.161 1.00 0.67 C ATOM 1189 CG GLN A 79 16.819 2.827 -3.004 1.00 0.93 C ATOM 1190 CD GLN A 79 16.870 2.054 -4.304 1.00 1.22 C ATOM 1191 OE1 GLN A 79 17.501 2.481 -5.270 1.00 1.95 O ATOM 1192 NE2 GLN A 79 16.194 0.915 -4.339 1.00 1.30 N ATOM 0 H GLN A 79 15.053 3.636 -0.981 1.00 0.56 H new ATOM 0 HA GLN A 79 17.325 5.250 -1.726 1.00 0.63 H new ATOM 0 HB2 GLN A 79 15.088 4.020 -3.383 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.577 4.693 -4.016 1.00 0.67 H new ATOM 0 HG2 GLN A 79 17.833 2.973 -2.631 1.00 0.93 H new ATOM 0 HG3 GLN A 79 16.285 2.241 -2.256 1.00 0.93 H new ATOM 0 HE21 GLN A 79 15.684 0.599 -3.514 1.00 1.30 H new ATOM 0 HE22 GLN A 79 16.183 0.354 -5.191 1.00 1.30 H new ATOM 1201 N GLN A 80 14.413 6.566 -1.545 1.00 0.54 N ATOM 1202 CA GLN A 80 13.648 7.794 -1.690 1.00 0.59 C ATOM 1203 C GLN A 80 14.101 8.813 -0.656 1.00 0.68 C ATOM 1204 O GLN A 80 13.811 10.004 -0.766 1.00 0.78 O ATOM 1205 CB GLN A 80 12.154 7.506 -1.535 1.00 0.54 C ATOM 1206 CG GLN A 80 11.269 8.733 -1.692 1.00 0.99 C ATOM 1207 CD GLN A 80 11.454 9.425 -3.030 1.00 0.98 C ATOM 1208 OE1 GLN A 80 12.519 9.967 -3.324 1.00 1.68 O ATOM 1209 NE2 GLN A 80 10.416 9.398 -3.854 1.00 0.74 N ATOM 0 H GLN A 80 13.984 5.872 -0.933 1.00 0.54 H new ATOM 0 HA GLN A 80 13.821 8.204 -2.685 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.859 6.761 -2.274 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.979 7.067 -0.553 1.00 0.54 H new ATOM 0 HG2 GLN A 80 10.225 8.439 -1.582 1.00 0.99 H new ATOM 0 HG3 GLN A 80 11.488 9.438 -0.890 1.00 0.99 H new ATOM 0 HE21 GLN A 80 9.551 8.937 -3.570 1.00 0.74 H new ATOM 0 HE22 GLN A 80 10.482 9.838 -4.772 1.00 0.74 H new ATOM 1218 N GLY A 81 14.820 8.329 0.351 1.00 0.74 N ATOM 1219 CA GLY A 81 15.309 9.199 1.394 1.00 0.88 C ATOM 1220 C GLY A 81 14.334 9.320 2.542 1.00 0.89 C ATOM 1221 O GLY A 81 14.176 10.400 3.115 1.00 0.99 O ATOM 0 H GLY A 81 15.071 7.346 0.460 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.260 8.818 1.766 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.503 10.188 0.979 1.00 0.88 H new ATOM 1225 N ARG A 82 13.671 8.212 2.885 1.00 0.95 N ATOM 1226 CA ARG A 82 12.711 8.218 3.974 1.00 1.07 C ATOM 1227 C ARG A 82 13.361 8.738 5.246 1.00 1.09 C ATOM 1228 O ARG A 82 14.588 8.819 5.344 1.00 1.50 O ATOM 1229 CB ARG A 82 12.159 6.816 4.226 1.00 1.34 C ATOM 1230 CG ARG A 82 13.162 5.873 4.871 1.00 1.78 C ATOM 1231 CD ARG A 82 12.513 4.560 5.265 1.00 2.05 C ATOM 1232 NE ARG A 82 13.416 3.707 6.034 1.00 2.68 N ATOM 1233 CZ ARG A 82 13.083 2.507 6.497 1.00 3.14 C ATOM 1234 NH1 ARG A 82 11.871 2.017 6.275 1.00 3.20 N ATOM 1235 NH2 ARG A 82 13.964 1.794 7.188 1.00 3.90 N ATOM 0 H ARG A 82 13.785 7.309 2.424 1.00 0.95 H new ATOM 0 HA ARG A 82 11.888 8.874 3.689 1.00 1.07 H new ATOM 0 HB2 ARG A 82 11.280 6.891 4.866 1.00 1.34 H new ATOM 0 HB3 ARG A 82 11.829 6.389 3.279 1.00 1.34 H new ATOM 0 HG2 ARG A 82 13.982 5.682 4.178 1.00 1.78 H new ATOM 0 HG3 ARG A 82 13.594 6.346 5.753 1.00 1.78 H new ATOM 0 HD2 ARG A 82 11.617 4.761 5.853 1.00 2.05 H new ATOM 0 HD3 ARG A 82 12.193 4.031 4.367 1.00 2.05 H new ATOM 0 HE ARG A 82 14.356 4.053 6.227 1.00 2.68 H new ATOM 0 HH11 ARG A 82 11.190 2.562 5.747 1.00 3.20 H new ATOM 0 HH12 ARG A 82 11.620 1.095 6.633 1.00 3.20 H new ATOM 0 HH21 ARG A 82 14.897 2.167 7.364 1.00 3.90 H new ATOM 0 HH22 ARG A 82 13.708 0.873 7.543 1.00 3.90 H new ATOM 1249 N VAL A 83 12.537 9.083 6.217 1.00 1.01 N ATOM 1250 CA VAL A 83 13.026 9.591 7.483 1.00 1.24 C ATOM 1251 C VAL A 83 12.524 8.715 8.625 1.00 1.17 C ATOM 1252 O VAL A 83 11.465 8.098 8.524 1.00 1.65 O ATOM 1253 CB VAL A 83 12.604 11.053 7.693 1.00 1.94 C ATOM 1254 CG1 VAL A 83 13.419 11.689 8.807 1.00 2.77 C ATOM 1255 CG2 VAL A 83 12.752 11.830 6.391 1.00 2.45 C ATOM 0 H VAL A 83 11.521 9.020 6.152 1.00 1.01 H new ATOM 0 HA VAL A 83 14.115 9.560 7.469 1.00 1.24 H new ATOM 0 HB VAL A 83 11.556 11.080 7.991 1.00 1.94 H new ATOM 0 HG11 VAL A 83 13.106 12.724 8.941 1.00 2.77 H new ATOM 0 HG12 VAL A 83 13.260 11.139 9.734 1.00 2.77 H new ATOM 0 HG13 VAL A 83 14.477 11.661 8.546 1.00 2.77 H new ATOM 0 HG21 VAL A 83 12.451 12.866 6.549 1.00 2.45 H new ATOM 0 HG22 VAL A 83 13.792 11.800 6.066 1.00 2.45 H new ATOM 0 HG23 VAL A 83 12.119 11.381 5.625 1.00 2.45 H new ATOM 1265 N ARG A 84 13.305 8.627 9.692 1.00 1.26 N ATOM 1266 CA ARG A 84 12.947 7.789 10.826 1.00 1.64 C ATOM 1267 C ARG A 84 12.706 8.605 12.086 1.00 1.64 C ATOM 1268 O ARG A 84 13.418 8.461 13.081 1.00 2.28 O ATOM 1269 CB ARG A 84 14.035 6.747 11.076 1.00 2.64 C ATOM 1270 CG ARG A 84 14.216 5.779 9.922 1.00 3.46 C ATOM 1271 CD ARG A 84 15.264 4.730 10.244 1.00 4.08 C ATOM 1272 NE ARG A 84 16.585 5.316 10.460 1.00 4.79 N ATOM 1273 CZ ARG A 84 17.265 5.973 9.523 1.00 5.36 C ATOM 1274 NH1 ARG A 84 16.762 6.116 8.305 1.00 5.36 N ATOM 1275 NH2 ARG A 84 18.456 6.486 9.807 1.00 6.26 N ATOM 0 H ARG A 84 14.189 9.125 9.796 1.00 1.26 H new ATOM 0 HA ARG A 84 12.012 7.286 10.577 1.00 1.64 H new ATOM 0 HB2 ARG A 84 14.980 7.257 11.265 1.00 2.64 H new ATOM 0 HB3 ARG A 84 13.790 6.185 11.977 1.00 2.64 H new ATOM 0 HG2 ARG A 84 13.266 5.292 9.700 1.00 3.46 H new ATOM 0 HG3 ARG A 84 14.510 6.327 9.027 1.00 3.46 H new ATOM 0 HD2 ARG A 84 14.963 4.180 11.135 1.00 4.08 H new ATOM 0 HD3 ARG A 84 15.317 4.010 9.428 1.00 4.08 H new ATOM 0 HE ARG A 84 17.010 5.216 11.382 1.00 4.79 H new ATOM 0 HH11 ARG A 84 15.848 5.721 8.081 1.00 5.36 H new ATOM 0 HH12 ARG A 84 17.288 6.621 7.592 1.00 5.36 H new ATOM 0 HH21 ARG A 84 18.849 6.376 10.742 1.00 6.26 H new ATOM 0 HH22 ARG A 84 18.978 6.990 9.090 1.00 6.26 H new ATOM 1289 N LYS A 85 11.677 9.435 12.043 1.00 1.79 N ATOM 1290 CA LYS A 85 11.312 10.251 13.191 1.00 2.53 C ATOM 1291 C LYS A 85 10.688 9.341 14.253 1.00 2.61 C ATOM 1292 O LYS A 85 11.401 8.586 14.914 1.00 3.08 O ATOM 1293 CB LYS A 85 10.362 11.370 12.745 1.00 3.13 C ATOM 1294 CG LYS A 85 9.906 12.284 13.868 1.00 3.58 C ATOM 1295 CD LYS A 85 8.917 13.326 13.367 1.00 4.39 C ATOM 1296 CE LYS A 85 8.476 14.261 14.483 1.00 5.02 C ATOM 1297 NZ LYS A 85 9.623 15.013 15.064 1.00 5.50 N ATOM 0 H LYS A 85 11.079 9.562 11.226 1.00 1.79 H new ATOM 0 HA LYS A 85 12.188 10.731 13.627 1.00 2.53 H new ATOM 0 HB2 LYS A 85 10.858 11.970 11.982 1.00 3.13 H new ATOM 0 HB3 LYS A 85 9.485 10.922 12.278 1.00 3.13 H new ATOM 0 HG2 LYS A 85 9.444 11.691 14.657 1.00 3.58 H new ATOM 0 HG3 LYS A 85 10.770 12.782 14.308 1.00 3.58 H new ATOM 0 HD2 LYS A 85 9.374 13.906 12.565 1.00 4.39 H new ATOM 0 HD3 LYS A 85 8.045 12.827 12.944 1.00 4.39 H new ATOM 0 HE2 LYS A 85 7.739 14.965 14.097 1.00 5.02 H new ATOM 0 HE3 LYS A 85 7.986 13.684 15.267 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 9.265 15.799 15.644 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 10.191 14.375 15.657 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 10.215 15.391 14.297 1.00 5.50 H new ATOM 1311 N ALA A 86 9.366 9.363 14.382 1.00 2.48 N ATOM 1312 CA ALA A 86 8.688 8.483 15.323 1.00 2.58 C ATOM 1313 C ALA A 86 7.383 7.996 14.710 1.00 2.00 C ATOM 1314 O ALA A 86 6.436 8.767 14.549 1.00 1.95 O ATOM 1315 CB ALA A 86 8.429 9.204 16.637 1.00 3.19 C ATOM 0 H ALA A 86 8.748 9.976 13.851 1.00 2.48 H new ATOM 0 HA ALA A 86 9.325 7.624 15.533 1.00 2.58 H new ATOM 0 HB1 ALA A 86 7.922 8.531 17.328 1.00 3.19 H new ATOM 0 HB2 ALA A 86 9.377 9.522 17.071 1.00 3.19 H new ATOM 0 HB3 ALA A 86 7.802 10.077 16.456 1.00 3.19 H new ATOM 1321 N GLU A 87 7.343 6.713 14.363 1.00 2.01 N ATOM 1322 CA GLU A 87 6.156 6.129 13.756 1.00 1.67 C ATOM 1323 C GLU A 87 5.699 4.868 14.487 1.00 1.90 C ATOM 1324 O GLU A 87 6.388 3.847 14.469 1.00 2.39 O ATOM 1325 CB GLU A 87 6.402 5.821 12.273 1.00 2.04 C ATOM 1326 CG GLU A 87 7.545 4.848 12.013 1.00 2.47 C ATOM 1327 CD GLU A 87 8.916 5.463 12.230 1.00 3.23 C ATOM 1328 OE1 GLU A 87 8.995 6.694 12.427 1.00 3.80 O ATOM 1329 OE2 GLU A 87 9.914 4.715 12.182 1.00 3.66 O ATOM 0 H GLU A 87 8.117 6.061 14.492 1.00 2.01 H new ATOM 0 HA GLU A 87 5.358 6.866 13.840 1.00 1.67 H new ATOM 0 HB2 GLU A 87 5.488 5.412 11.843 1.00 2.04 H new ATOM 0 HB3 GLU A 87 6.610 6.755 11.750 1.00 2.04 H new ATOM 0 HG2 GLU A 87 7.434 3.984 12.668 1.00 2.47 H new ATOM 0 HG3 GLU A 87 7.476 4.482 10.988 1.00 2.47 H new ATOM 1336 N ARG A 88 4.520 4.926 15.091 1.00 1.97 N ATOM 1337 CA ARG A 88 3.970 3.760 15.771 1.00 2.47 C ATOM 1338 C ARG A 88 2.879 3.135 14.908 1.00 2.28 C ATOM 1339 O ARG A 88 2.966 1.968 14.531 1.00 2.54 O ATOM 1340 CB ARG A 88 3.423 4.121 17.161 1.00 2.97 C ATOM 1341 CG ARG A 88 2.583 5.389 17.200 1.00 3.30 C ATOM 1342 CD ARG A 88 3.443 6.647 17.272 1.00 3.95 C ATOM 1343 NE ARG A 88 4.206 6.736 18.519 1.00 4.47 N ATOM 1344 CZ ARG A 88 5.374 6.131 18.726 1.00 5.01 C ATOM 1345 NH1 ARG A 88 5.967 5.459 17.747 1.00 5.17 N ATOM 1346 NH2 ARG A 88 5.965 6.221 19.910 1.00 5.74 N ATOM 0 H ARG A 88 3.931 5.758 15.125 1.00 1.97 H new ATOM 0 HA ARG A 88 4.772 3.037 15.919 1.00 2.47 H new ATOM 0 HB2 ARG A 88 2.820 3.290 17.527 1.00 2.97 H new ATOM 0 HB3 ARG A 88 4.261 4.234 17.849 1.00 2.97 H new ATOM 0 HG2 ARG A 88 1.952 5.432 16.312 1.00 3.30 H new ATOM 0 HG3 ARG A 88 1.918 5.356 18.063 1.00 3.30 H new ATOM 0 HD2 ARG A 88 4.132 6.661 16.427 1.00 3.95 H new ATOM 0 HD3 ARG A 88 2.804 7.525 17.177 1.00 3.95 H new ATOM 0 HE ARG A 88 3.818 7.297 19.277 1.00 4.47 H new ATOM 0 HH11 ARG A 88 5.528 5.403 16.828 1.00 5.17 H new ATOM 0 HH12 ARG A 88 6.862 4.998 17.914 1.00 5.17 H new ATOM 0 HH21 ARG A 88 5.525 6.753 20.661 1.00 5.74 H new ATOM 0 HH22 ARG A 88 6.860 5.758 20.070 1.00 5.74 H new ATOM 1360 N TRP A 89 1.870 3.934 14.577 1.00 1.98 N ATOM 1361 CA TRP A 89 0.774 3.482 13.729 1.00 1.91 C ATOM 1362 C TRP A 89 0.651 4.390 12.503 1.00 1.60 C ATOM 1363 O TRP A 89 -0.331 4.329 11.763 1.00 1.71 O ATOM 1364 CB TRP A 89 -0.539 3.464 14.518 1.00 2.11 C ATOM 1365 CG TRP A 89 -1.665 2.780 13.799 1.00 2.00 C ATOM 1366 CD1 TRP A 89 -1.596 1.613 13.090 1.00 2.28 C ATOM 1367 CD2 TRP A 89 -3.027 3.217 13.719 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -2.830 1.301 12.575 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -3.724 2.269 12.947 1.00 2.74 C ATOM 1370 CE3 TRP A 89 -3.724 4.317 14.227 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -5.084 2.390 12.671 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 -5.073 4.435 13.952 1.00 3.33 C ATOM 1373 CH2 TRP A 89 -5.742 3.476 13.182 1.00 3.70 C ATOM 0 H TRP A 89 1.789 4.903 14.885 1.00 1.98 H new ATOM 0 HA TRP A 89 0.985 2.467 13.392 1.00 1.91 H new ATOM 0 HB2 TRP A 89 -0.372 2.965 15.472 1.00 2.11 H new ATOM 0 HB3 TRP A 89 -0.832 4.490 14.742 1.00 2.11 H new ATOM 0 HD1 TRP A 89 -0.702 1.023 12.955 1.00 2.28 H new ATOM 0 HE1 TRP A 89 -3.046 0.481 12.008 1.00 2.69 H new ATOM 0 HE3 TRP A 89 -3.217 5.061 14.824 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -5.601 1.653 12.075 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 -5.621 5.282 14.338 1.00 3.33 H new ATOM 0 HH2 TRP A 89 -6.798 3.595 12.987 1.00 3.70 H new ATOM 1384 N GLY A 90 1.648 5.250 12.312 1.00 1.35 N ATOM 1385 CA GLY A 90 1.629 6.184 11.197 1.00 1.15 C ATOM 1386 C GLY A 90 2.644 5.873 10.118 1.00 1.08 C ATOM 1387 O GLY A 90 3.536 5.049 10.312 1.00 1.29 O ATOM 0 H GLY A 90 2.471 5.317 12.911 1.00 1.35 H new ATOM 0 HA2 GLY A 90 0.633 6.186 10.755 1.00 1.15 H new ATOM 0 HA3 GLY A 90 1.812 7.190 11.575 1.00 1.15 H new ATOM 1391 N PRO A 91 2.527 6.540 8.953 1.00 0.96 N ATOM 1392 CA PRO A 91 3.436 6.351 7.823 1.00 1.07 C ATOM 1393 C PRO A 91 4.775 7.046 8.040 1.00 1.17 C ATOM 1394 O PRO A 91 5.822 6.526 7.650 1.00 1.60 O ATOM 1395 CB PRO A 91 2.698 7.009 6.643 1.00 1.09 C ATOM 1396 CG PRO A 91 1.349 7.380 7.159 1.00 1.09 C ATOM 1397 CD PRO A 91 1.503 7.541 8.636 1.00 0.91 C ATOM 0 HA PRO A 91 3.667 5.297 7.668 1.00 1.07 H new ATOM 0 HB2 PRO A 91 3.235 7.888 6.288 1.00 1.09 H new ATOM 0 HB3 PRO A 91 2.618 6.322 5.800 1.00 1.09 H new ATOM 0 HG2 PRO A 91 0.996 8.304 6.700 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.616 6.608 6.925 1.00 1.09 H new ATOM 0 HD2 PRO A 91 1.822 8.548 8.904 1.00 0.91 H new ATOM 0 HD3 PRO A 91 0.570 7.350 9.166 1.00 0.91 H new ATOM 1405 N ARG A 92 4.719 8.242 8.641 1.00 0.93 N ATOM 1406 CA ARG A 92 5.909 9.058 8.901 1.00 1.03 C ATOM 1407 C ARG A 92 6.291 9.808 7.639 1.00 1.13 C ATOM 1408 O ARG A 92 6.605 10.996 7.664 1.00 1.95 O ATOM 1409 CB ARG A 92 7.081 8.191 9.409 1.00 1.21 C ATOM 1410 CG ARG A 92 8.325 8.968 9.850 1.00 1.04 C ATOM 1411 CD ARG A 92 9.047 9.616 8.683 1.00 1.71 C ATOM 1412 NE ARG A 92 9.980 10.645 9.130 1.00 2.57 N ATOM 1413 CZ ARG A 92 9.599 11.821 9.619 1.00 3.53 C ATOM 1414 NH1 ARG A 92 8.308 12.114 9.723 1.00 3.96 N ATOM 1415 NH2 ARG A 92 10.507 12.707 10.007 1.00 4.39 N ATOM 0 H ARG A 92 3.849 8.669 8.959 1.00 0.93 H new ATOM 0 HA ARG A 92 5.679 9.778 9.686 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.731 7.591 10.249 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.367 7.497 8.619 1.00 1.21 H new ATOM 0 HG2 ARG A 92 8.035 9.737 10.566 1.00 1.04 H new ATOM 0 HG3 ARG A 92 9.008 8.293 10.366 1.00 1.04 H new ATOM 0 HD2 ARG A 92 9.587 8.854 8.121 1.00 1.71 H new ATOM 0 HD3 ARG A 92 8.318 10.056 8.003 1.00 1.71 H new ATOM 0 HE ARG A 92 10.979 10.451 9.064 1.00 2.57 H new ATOM 0 HH11 ARG A 92 7.606 11.436 9.427 1.00 3.96 H new ATOM 0 HH12 ARG A 92 8.019 13.017 10.099 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.500 12.487 9.930 1.00 4.39 H new ATOM 0 HH22 ARG A 92 10.212 13.609 10.382 1.00 4.39 H new ATOM 1429 N THR A 93 6.235 9.082 6.544 1.00 0.94 N ATOM 1430 CA THR A 93 6.554 9.600 5.215 1.00 0.91 C ATOM 1431 C THR A 93 6.088 8.615 4.150 1.00 0.83 C ATOM 1432 O THR A 93 4.959 8.691 3.668 1.00 1.08 O ATOM 1433 CB THR A 93 8.063 9.831 5.066 1.00 1.02 C ATOM 1434 OG1 THR A 93 8.796 8.793 5.689 1.00 1.52 O ATOM 1435 CG2 THR A 93 8.550 11.151 5.628 1.00 1.47 C ATOM 0 H THR A 93 5.963 8.099 6.543 1.00 0.94 H new ATOM 0 HA THR A 93 6.039 10.552 5.088 1.00 0.91 H new ATOM 0 HB THR A 93 8.234 9.846 3.990 1.00 1.02 H new ATOM 0 HG1 THR A 93 9.706 8.771 5.325 1.00 1.52 H new ATOM 0 HG21 THR A 93 9.627 11.234 5.481 1.00 1.47 H new ATOM 0 HG22 THR A 93 8.050 11.972 5.114 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.324 11.198 6.693 1.00 1.47 H new ATOM 1443 N LEU A 94 6.969 7.680 3.800 1.00 0.68 N ATOM 1444 CA LEU A 94 6.668 6.662 2.804 1.00 0.64 C ATOM 1445 C LEU A 94 6.448 5.323 3.488 1.00 0.56 C ATOM 1446 O LEU A 94 6.993 5.069 4.563 1.00 0.71 O ATOM 1447 CB LEU A 94 7.824 6.559 1.802 1.00 0.72 C ATOM 1448 CG LEU A 94 7.569 5.654 0.597 1.00 1.00 C ATOM 1449 CD1 LEU A 94 6.463 6.227 -0.268 1.00 1.44 C ATOM 1450 CD2 LEU A 94 8.843 5.478 -0.214 1.00 1.87 C ATOM 0 H LEU A 94 7.905 7.609 4.198 1.00 0.68 H new ATOM 0 HA LEU A 94 5.760 6.939 2.269 1.00 0.64 H new ATOM 0 HB2 LEU A 94 8.059 7.560 1.440 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.707 6.195 2.328 1.00 0.72 H new ATOM 0 HG LEU A 94 7.253 4.675 0.958 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.293 5.572 -1.122 1.00 1.44 H new ATOM 0 HD12 LEU A 94 5.547 6.306 0.317 1.00 1.44 H new ATOM 0 HD13 LEU A 94 6.753 7.216 -0.622 1.00 1.44 H new ATOM 0 HD21 LEU A 94 8.644 4.831 -1.068 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.187 6.450 -0.567 1.00 1.87 H new ATOM 0 HD23 LEU A 94 9.613 5.027 0.412 1.00 1.87 H new ATOM 1462 N ASP A 95 5.647 4.472 2.867 1.00 0.52 N ATOM 1463 CA ASP A 95 5.360 3.162 3.426 1.00 0.53 C ATOM 1464 C ASP A 95 4.691 2.266 2.393 1.00 0.46 C ATOM 1465 O ASP A 95 3.466 2.193 2.313 1.00 0.59 O ATOM 1466 CB ASP A 95 4.473 3.293 4.668 1.00 0.73 C ATOM 1467 CG ASP A 95 3.186 4.047 4.390 1.00 1.16 C ATOM 1468 OD1 ASP A 95 3.264 5.232 4.006 1.00 1.72 O ATOM 1469 OD2 ASP A 95 2.101 3.453 4.559 1.00 1.64 O ATOM 0 H ASP A 95 5.185 4.665 1.978 1.00 0.52 H new ATOM 0 HA ASP A 95 6.305 2.703 3.717 1.00 0.53 H new ATOM 0 HB2 ASP A 95 4.233 2.299 5.045 1.00 0.73 H new ATOM 0 HB3 ASP A 95 5.028 3.806 5.453 1.00 0.73 H new ATOM 1474 N LEU A 96 5.510 1.569 1.616 1.00 0.38 N ATOM 1475 CA LEU A 96 5.007 0.660 0.602 1.00 0.36 C ATOM 1476 C LEU A 96 5.228 -0.780 1.054 1.00 0.40 C ATOM 1477 O LEU A 96 6.344 -1.298 1.001 1.00 0.53 O ATOM 1478 CB LEU A 96 5.675 0.921 -0.761 1.00 0.43 C ATOM 1479 CG LEU A 96 7.203 0.799 -0.806 1.00 0.52 C ATOM 1480 CD1 LEU A 96 7.686 0.786 -2.247 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.864 1.938 -0.046 1.00 0.89 C ATOM 0 H LEU A 96 6.527 1.618 1.671 1.00 0.38 H new ATOM 0 HA LEU A 96 3.938 0.831 0.475 1.00 0.36 H new ATOM 0 HB2 LEU A 96 5.255 0.224 -1.486 1.00 0.43 H new ATOM 0 HB3 LEU A 96 5.403 1.924 -1.088 1.00 0.43 H new ATOM 0 HG LEU A 96 7.482 -0.139 -0.327 1.00 0.52 H new ATOM 0 HD11 LEU A 96 8.772 0.699 -2.266 1.00 0.97 H new ATOM 0 HD12 LEU A 96 7.245 -0.062 -2.771 1.00 0.97 H new ATOM 0 HD13 LEU A 96 7.388 1.712 -2.739 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.947 1.827 -0.094 1.00 0.89 H new ATOM 0 HD22 LEU A 96 7.577 2.889 -0.494 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.543 1.915 0.995 1.00 0.89 H new ATOM 1493 N ASP A 97 4.161 -1.410 1.530 1.00 0.38 N ATOM 1494 CA ASP A 97 4.240 -2.776 2.027 1.00 0.44 C ATOM 1495 C ASP A 97 3.203 -3.677 1.369 1.00 0.39 C ATOM 1496 O ASP A 97 2.167 -3.210 0.895 1.00 0.40 O ATOM 1497 CB ASP A 97 4.049 -2.795 3.543 1.00 0.55 C ATOM 1498 CG ASP A 97 5.084 -1.955 4.267 1.00 1.14 C ATOM 1499 OD1 ASP A 97 6.290 -2.245 4.123 1.00 1.93 O ATOM 1500 OD2 ASP A 97 4.688 -1.008 4.977 1.00 1.45 O ATOM 0 H ASP A 97 3.230 -0.995 1.582 1.00 0.38 H new ATOM 0 HA ASP A 97 5.229 -3.160 1.776 1.00 0.44 H new ATOM 0 HB2 ASP A 97 3.052 -2.427 3.785 1.00 0.55 H new ATOM 0 HB3 ASP A 97 4.105 -3.823 3.901 1.00 0.55 H new ATOM 1505 N ILE A 98 3.490 -4.975 1.360 1.00 0.39 N ATOM 1506 CA ILE A 98 2.588 -5.958 0.778 1.00 0.36 C ATOM 1507 C ILE A 98 1.268 -6.000 1.557 1.00 0.35 C ATOM 1508 O ILE A 98 1.169 -6.648 2.600 1.00 0.53 O ATOM 1509 CB ILE A 98 3.233 -7.363 0.760 1.00 0.36 C ATOM 1510 CG1 ILE A 98 4.456 -7.379 -0.165 1.00 0.48 C ATOM 1511 CG2 ILE A 98 2.214 -8.411 0.332 1.00 0.44 C ATOM 1512 CD1 ILE A 98 5.110 -8.738 -0.270 1.00 1.20 C ATOM 0 H ILE A 98 4.345 -5.370 1.752 1.00 0.39 H new ATOM 0 HA ILE A 98 2.386 -5.659 -0.250 1.00 0.36 H new ATOM 0 HB ILE A 98 3.567 -7.606 1.769 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.155 -7.051 -1.160 1.00 0.48 H new ATOM 0 HG13 ILE A 98 5.188 -6.659 0.200 1.00 0.48 H new ATOM 0 HG21 ILE A 98 2.684 -9.394 0.325 1.00 0.44 H new ATOM 0 HG22 ILE A 98 1.379 -8.414 1.032 1.00 0.44 H new ATOM 0 HG23 ILE A 98 1.849 -8.176 -0.668 1.00 0.44 H new ATOM 0 HD11 ILE A 98 5.968 -8.678 -0.940 1.00 1.20 H new ATOM 0 HD12 ILE A 98 5.442 -9.059 0.717 1.00 1.20 H new ATOM 0 HD13 ILE A 98 4.392 -9.458 -0.664 1.00 1.20 H new ATOM 1524 N MET A 99 0.264 -5.288 1.046 1.00 0.32 N ATOM 1525 CA MET A 99 -1.050 -5.221 1.689 1.00 0.36 C ATOM 1526 C MET A 99 -1.969 -6.343 1.213 1.00 0.33 C ATOM 1527 O MET A 99 -2.963 -6.654 1.867 1.00 0.37 O ATOM 1528 CB MET A 99 -1.701 -3.866 1.410 1.00 0.43 C ATOM 1529 CG MET A 99 -0.869 -2.684 1.879 1.00 0.68 C ATOM 1530 SD MET A 99 -0.543 -2.727 3.652 1.00 1.56 S ATOM 1531 CE MET A 99 0.464 -1.257 3.847 1.00 2.37 C ATOM 0 H MET A 99 0.335 -4.747 0.184 1.00 0.32 H new ATOM 0 HA MET A 99 -0.900 -5.342 2.762 1.00 0.36 H new ATOM 0 HB2 MET A 99 -1.880 -3.772 0.339 1.00 0.43 H new ATOM 0 HB3 MET A 99 -2.674 -3.832 1.900 1.00 0.43 H new ATOM 0 HG2 MET A 99 0.078 -2.674 1.339 1.00 0.68 H new ATOM 0 HG3 MET A 99 -1.388 -1.758 1.631 1.00 0.68 H new ATOM 0 HE1 MET A 99 0.949 -1.275 4.823 1.00 2.37 H new ATOM 0 HE2 MET A 99 1.223 -1.230 3.065 1.00 2.37 H new ATOM 0 HE3 MET A 99 -0.167 -0.371 3.772 1.00 2.37 H new ATOM 1541 N LEU A 100 -1.646 -6.940 0.068 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.459 -8.017 -0.480 1.00 0.30 C ATOM 1543 C LEU A 100 -1.714 -8.762 -1.585 1.00 0.31 C ATOM 1544 O LEU A 100 -1.781 -8.379 -2.750 1.00 0.58 O ATOM 1545 CB LEU A 100 -3.776 -7.449 -1.019 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.029 -8.014 -0.360 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.271 -7.290 -0.857 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.144 -9.510 -0.617 1.00 0.43 C ATOM 0 H LEU A 100 -0.831 -6.696 -0.494 1.00 0.30 H new ATOM 0 HA LEU A 100 -2.672 -8.728 0.319 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -3.770 -6.367 -0.889 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -3.827 -7.641 -2.091 1.00 0.30 H new ATOM 0 HG LEU A 100 -4.948 -7.856 0.715 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.154 -7.709 -0.374 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.195 -6.230 -0.617 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.356 -7.412 -1.937 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.045 -9.893 -0.138 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.198 -9.692 -1.690 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.271 -10.018 -0.207 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.005 -9.830 -1.218 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.263 -10.605 -2.209 1.00 0.36 C ATOM 1562 C PHE A 101 -1.069 -11.817 -2.668 1.00 0.38 C ATOM 1563 O PHE A 101 -0.824 -12.941 -2.231 1.00 0.88 O ATOM 1564 CB PHE A 101 1.084 -11.063 -1.649 1.00 0.46 C ATOM 1565 CG PHE A 101 2.013 -11.589 -2.709 1.00 0.70 C ATOM 1566 CD1 PHE A 101 2.710 -10.721 -3.531 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.201 -12.953 -2.868 1.00 1.10 C ATOM 1568 CE1 PHE A 101 3.573 -11.203 -4.498 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.063 -13.439 -3.831 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.713 -12.552 -4.685 1.00 1.75 C ATOM 0 H PHE A 101 -0.930 -10.172 -0.260 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.084 -9.956 -3.066 1.00 0.36 H new ATOM 0 HB2 PHE A 101 1.562 -10.227 -1.137 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.916 -11.840 -0.903 1.00 0.46 H new ATOM 0 HD1 PHE A 101 2.578 -9.655 -3.416 1.00 1.13 H new ATOM 0 HD2 PHE A 101 1.667 -13.643 -2.232 1.00 1.10 H new ATOM 0 HE1 PHE A 101 4.138 -10.513 -5.107 1.00 1.59 H new ATOM 0 HE2 PHE A 101 3.232 -14.502 -3.921 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.325 -12.927 -5.492 1.00 1.75 H new ATOM 1580 N GLY A 102 -2.026 -11.580 -3.560 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.848 -12.660 -4.073 1.00 0.60 C ATOM 1582 C GLY A 102 -3.752 -13.269 -3.019 1.00 0.73 C ATOM 1583 O GLY A 102 -4.627 -12.596 -2.477 1.00 1.49 O ATOM 0 H GLY A 102 -2.247 -10.658 -3.937 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -3.458 -12.286 -4.895 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -2.203 -13.437 -4.483 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.547 -14.555 -2.741 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.356 -15.265 -1.757 1.00 0.58 C ATOM 1589 C ASN A 103 -3.488 -16.017 -0.755 1.00 0.52 C ATOM 1590 O ASN A 103 -4.001 -16.767 0.074 1.00 0.67 O ATOM 1591 CB ASN A 103 -5.280 -16.260 -2.454 1.00 0.76 C ATOM 1592 CG ASN A 103 -4.503 -17.298 -3.237 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -4.005 -17.026 -4.330 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -4.363 -18.487 -2.662 1.00 0.90 N ATOM 0 H ASN A 103 -2.827 -15.125 -3.184 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.943 -14.520 -1.221 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.904 -16.757 -1.712 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -5.950 -15.724 -3.126 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -3.825 -19.218 -3.127 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -4.793 -18.669 -1.755 1.00 0.90 H new ATOM 1601 N GLU A 104 -2.175 -15.829 -0.832 1.00 0.43 N ATOM 1602 CA GLU A 104 -1.272 -16.511 0.078 1.00 0.42 C ATOM 1603 C GLU A 104 -1.030 -15.701 1.331 1.00 0.42 C ATOM 1604 O GLU A 104 -0.938 -14.475 1.298 1.00 0.58 O ATOM 1605 CB GLU A 104 0.033 -16.870 -0.603 1.00 0.51 C ATOM 1606 CG GLU A 104 0.631 -15.754 -1.437 1.00 0.56 C ATOM 1607 CD GLU A 104 1.530 -16.281 -2.539 1.00 1.57 C ATOM 1608 OE1 GLU A 104 1.018 -16.956 -3.453 1.00 2.29 O ATOM 1609 OE2 GLU A 104 2.747 -16.006 -2.493 1.00 2.14 O ATOM 0 H GLU A 104 -1.719 -15.216 -1.508 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.755 -17.441 0.377 1.00 0.42 H new ATOM 0 HB2 GLU A 104 0.756 -17.167 0.157 1.00 0.51 H new ATOM 0 HB3 GLU A 104 -0.131 -17.737 -1.243 1.00 0.51 H new ATOM 0 HG2 GLU A 104 -0.171 -15.162 -1.877 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.203 -15.087 -0.792 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.964 -16.413 2.439 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.773 -15.809 3.735 1.00 0.56 C ATOM 1618 C VAL A 105 0.612 -16.103 4.302 1.00 0.61 C ATOM 1619 O VAL A 105 0.823 -17.116 4.971 1.00 0.72 O ATOM 1620 CB VAL A 105 -1.851 -16.329 4.694 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -1.533 -15.969 6.139 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.215 -15.786 4.296 1.00 0.67 C ATOM 0 H VAL A 105 -1.042 -17.430 2.462 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.856 -14.728 3.623 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.868 -17.416 4.622 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -2.318 -16.353 6.791 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -0.578 -16.411 6.422 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -1.476 -14.885 6.240 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -3.972 -16.162 4.984 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.199 -14.697 4.335 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.454 -16.109 3.283 1.00 0.67 H new ATOM 1632 N ILE A 106 1.546 -15.200 4.039 1.00 0.58 N ATOM 1633 CA ILE A 106 2.903 -15.345 4.539 1.00 0.64 C ATOM 1634 C ILE A 106 3.352 -14.066 5.225 1.00 0.61 C ATOM 1635 O ILE A 106 3.739 -13.097 4.580 1.00 0.57 O ATOM 1636 CB ILE A 106 3.911 -15.699 3.422 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.581 -17.053 2.786 1.00 0.76 C ATOM 1638 CG2 ILE A 106 5.330 -15.710 3.974 1.00 1.31 C ATOM 1639 CD1 ILE A 106 2.396 -17.017 1.846 1.00 1.45 C ATOM 0 H ILE A 106 1.388 -14.360 3.482 1.00 0.58 H new ATOM 0 HA ILE A 106 2.887 -16.170 5.251 1.00 0.64 H new ATOM 0 HB ILE A 106 3.837 -14.935 2.648 1.00 0.74 H new ATOM 0 HG12 ILE A 106 4.455 -17.409 2.240 1.00 0.76 H new ATOM 0 HG13 ILE A 106 3.383 -17.776 3.577 1.00 0.76 H new ATOM 0 HG21 ILE A 106 6.029 -15.961 3.176 1.00 1.31 H new ATOM 0 HG22 ILE A 106 5.573 -14.725 4.373 1.00 1.31 H new ATOM 0 HG23 ILE A 106 5.405 -16.452 4.769 1.00 1.31 H new ATOM 0 HD11 ILE A 106 2.226 -18.013 1.437 1.00 1.45 H new ATOM 0 HD12 ILE A 106 1.509 -16.692 2.391 1.00 1.45 H new ATOM 0 HD13 ILE A 106 2.598 -16.320 1.033 1.00 1.45 H new ATOM 1651 N ASN A 107 3.304 -14.085 6.547 1.00 0.84 N ATOM 1652 CA ASN A 107 3.708 -12.943 7.349 1.00 0.90 C ATOM 1653 C ASN A 107 5.058 -13.224 7.975 1.00 0.91 C ATOM 1654 O ASN A 107 5.170 -14.043 8.888 1.00 1.02 O ATOM 1655 CB ASN A 107 2.676 -12.677 8.446 1.00 1.09 C ATOM 1656 CG ASN A 107 1.262 -12.977 7.993 1.00 1.00 C ATOM 1657 OD1 ASN A 107 0.875 -14.136 7.845 1.00 1.28 O ATOM 1658 ND2 ASN A 107 0.492 -11.931 7.742 1.00 1.21 N ATOM 0 H ASN A 107 2.986 -14.887 7.091 1.00 0.84 H new ATOM 0 HA ASN A 107 3.776 -12.062 6.710 1.00 0.90 H new ATOM 0 HB2 ASN A 107 2.912 -13.286 9.319 1.00 1.09 H new ATOM 0 HB3 ASN A 107 2.741 -11.635 8.758 1.00 1.09 H new ATOM 0 HD21 ASN A 107 -0.463 -12.068 7.412 1.00 1.21 H new ATOM 0 HD22 ASN A 107 0.854 -10.987 7.879 1.00 1.21 H new ATOM 1665 N THR A 108 6.088 -12.562 7.474 1.00 0.86 N ATOM 1666 CA THR A 108 7.435 -12.789 8.002 1.00 0.89 C ATOM 1667 C THR A 108 7.852 -11.706 8.999 1.00 0.91 C ATOM 1668 O THR A 108 7.076 -11.331 9.876 1.00 1.16 O ATOM 1669 CB THR A 108 8.452 -12.909 6.870 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.556 -11.699 6.154 1.00 1.07 O ATOM 1671 CG2 THR A 108 8.111 -14.003 5.880 1.00 0.92 C ATOM 0 H THR A 108 6.028 -11.877 6.720 1.00 0.86 H new ATOM 0 HA THR A 108 7.412 -13.734 8.545 1.00 0.89 H new ATOM 0 HB THR A 108 9.396 -13.157 7.355 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.491 -11.546 5.905 1.00 1.07 H new ATOM 0 HG21 THR A 108 8.871 -14.038 5.100 1.00 0.92 H new ATOM 0 HG22 THR A 108 8.076 -14.963 6.396 1.00 0.92 H new ATOM 0 HG23 THR A 108 7.139 -13.797 5.431 1.00 0.92 H new ATOM 1679 N GLU A 109 9.088 -11.221 8.872 1.00 0.83 N ATOM 1680 CA GLU A 109 9.608 -10.200 9.781 1.00 0.86 C ATOM 1681 C GLU A 109 9.192 -8.801 9.341 1.00 0.73 C ATOM 1682 O GLU A 109 8.160 -8.287 9.774 1.00 0.87 O ATOM 1683 CB GLU A 109 11.131 -10.292 9.864 1.00 0.95 C ATOM 1684 CG GLU A 109 11.630 -11.631 10.388 1.00 1.22 C ATOM 1685 CD GLU A 109 13.142 -11.700 10.471 1.00 1.93 C ATOM 1686 OE1 GLU A 109 13.805 -10.701 10.120 1.00 2.60 O ATOM 1687 OE2 GLU A 109 13.664 -12.756 10.890 1.00 2.37 O ATOM 0 H GLU A 109 9.745 -11.518 8.151 1.00 0.83 H new ATOM 0 HA GLU A 109 9.183 -10.384 10.768 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.552 -10.118 8.874 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.501 -9.497 10.511 1.00 0.95 H new ATOM 0 HG2 GLU A 109 11.207 -11.810 11.377 1.00 1.22 H new ATOM 0 HG3 GLU A 109 11.269 -12.428 9.738 1.00 1.22 H new ATOM 1694 N ARG A 110 9.987 -8.197 8.464 1.00 0.63 N ATOM 1695 CA ARG A 110 9.679 -6.870 7.957 1.00 0.64 C ATOM 1696 C ARG A 110 8.529 -6.987 6.983 1.00 0.66 C ATOM 1697 O ARG A 110 7.839 -6.013 6.678 1.00 0.77 O ATOM 1698 CB ARG A 110 10.893 -6.254 7.256 1.00 0.63 C ATOM 1699 CG ARG A 110 12.128 -6.165 8.136 1.00 0.86 C ATOM 1700 CD ARG A 110 11.928 -5.180 9.279 1.00 1.64 C ATOM 1701 NE ARG A 110 11.677 -3.824 8.799 1.00 2.22 N ATOM 1702 CZ ARG A 110 12.555 -3.111 8.094 1.00 2.77 C ATOM 1703 NH1 ARG A 110 13.745 -3.614 7.802 1.00 3.01 N ATOM 1704 NH2 ARG A 110 12.239 -1.888 7.689 1.00 3.68 N ATOM 0 H ARG A 110 10.845 -8.605 8.093 1.00 0.63 H new ATOM 0 HA ARG A 110 9.409 -6.220 8.790 1.00 0.64 H new ATOM 0 HB2 ARG A 110 11.130 -6.846 6.372 1.00 0.63 H new ATOM 0 HB3 ARG A 110 10.632 -5.254 6.909 1.00 0.63 H new ATOM 0 HG2 ARG A 110 12.360 -7.150 8.540 1.00 0.86 H new ATOM 0 HG3 ARG A 110 12.983 -5.857 7.535 1.00 0.86 H new ATOM 0 HD2 ARG A 110 11.091 -5.506 9.896 1.00 1.64 H new ATOM 0 HD3 ARG A 110 12.812 -5.181 9.916 1.00 1.64 H new ATOM 0 HE ARG A 110 10.776 -3.397 9.016 1.00 2.22 H new ATOM 0 HH11 ARG A 110 13.994 -4.552 8.117 1.00 3.01 H new ATOM 0 HH12 ARG A 110 14.413 -3.064 7.262 1.00 3.01 H new ATOM 0 HH21 ARG A 110 11.326 -1.495 7.917 1.00 3.68 H new ATOM 0 HH22 ARG A 110 12.909 -1.340 7.149 1.00 3.68 H new ATOM 1718 N LEU A 111 8.333 -8.207 6.507 1.00 0.62 N ATOM 1719 CA LEU A 111 7.273 -8.505 5.567 1.00 0.63 C ATOM 1720 C LEU A 111 6.045 -9.052 6.278 1.00 0.56 C ATOM 1721 O LEU A 111 6.139 -9.903 7.163 1.00 0.66 O ATOM 1722 CB LEU A 111 7.753 -9.518 4.512 1.00 0.73 C ATOM 1723 CG LEU A 111 6.667 -10.145 3.629 1.00 0.94 C ATOM 1724 CD1 LEU A 111 5.928 -11.250 4.368 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.686 -9.099 3.118 1.00 1.64 C ATOM 0 H LEU A 111 8.904 -9.013 6.763 1.00 0.62 H new ATOM 0 HA LEU A 111 7.001 -7.573 5.072 1.00 0.63 H new ATOM 0 HB2 LEU A 111 8.476 -9.021 3.865 1.00 0.73 H new ATOM 0 HB3 LEU A 111 8.283 -10.321 5.025 1.00 0.73 H new ATOM 0 HG LEU A 111 7.169 -10.584 2.766 1.00 0.94 H new ATOM 0 HD11 LEU A 111 5.164 -11.676 3.717 1.00 1.15 H new ATOM 0 HD12 LEU A 111 6.633 -12.029 4.657 1.00 1.15 H new ATOM 0 HD13 LEU A 111 5.456 -10.838 5.260 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.931 -9.581 2.496 1.00 1.64 H new ATOM 0 HD22 LEU A 111 5.202 -8.611 3.964 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.222 -8.355 2.528 1.00 1.64 H new ATOM 1737 N THR A 112 4.898 -8.577 5.838 1.00 0.46 N ATOM 1738 CA THR A 112 3.617 -9.011 6.349 1.00 0.42 C ATOM 1739 C THR A 112 2.643 -9.085 5.189 1.00 0.39 C ATOM 1740 O THR A 112 2.571 -8.155 4.387 1.00 0.43 O ATOM 1741 CB THR A 112 3.091 -8.039 7.405 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.430 -6.705 7.074 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.592 -8.320 8.802 1.00 0.68 C ATOM 0 H THR A 112 4.830 -7.870 5.106 1.00 0.46 H new ATOM 0 HA THR A 112 3.728 -9.988 6.820 1.00 0.42 H new ATOM 0 HB THR A 112 2.010 -8.181 7.405 1.00 0.45 H new ATOM 0 HG1 THR A 112 3.083 -6.099 7.761 1.00 0.65 H new ATOM 0 HG21 THR A 112 3.174 -7.588 9.493 1.00 0.68 H new ATOM 0 HG22 THR A 112 3.284 -9.321 9.105 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.680 -8.255 8.818 1.00 0.68 H new ATOM 1751 N VAL A 113 1.883 -10.166 5.090 1.00 0.36 N ATOM 1752 CA VAL A 113 0.933 -10.264 4.004 1.00 0.38 C ATOM 1753 C VAL A 113 -0.338 -9.527 4.425 1.00 0.32 C ATOM 1754 O VAL A 113 -0.350 -8.981 5.527 1.00 0.30 O ATOM 1755 CB VAL A 113 0.626 -11.725 3.612 1.00 0.45 C ATOM 1756 CG1 VAL A 113 1.724 -12.274 2.724 1.00 1.52 C ATOM 1757 CG2 VAL A 113 0.425 -12.591 4.838 1.00 1.18 C ATOM 0 H VAL A 113 1.906 -10.961 5.728 1.00 0.36 H new ATOM 0 HA VAL A 113 1.364 -9.807 3.113 1.00 0.38 H new ATOM 0 HB VAL A 113 -0.307 -11.740 3.049 1.00 0.45 H new ATOM 0 HG11 VAL A 113 1.494 -13.305 2.456 1.00 1.52 H new ATOM 0 HG12 VAL A 113 1.796 -11.671 1.819 1.00 1.52 H new ATOM 0 HG13 VAL A 113 2.674 -12.242 3.258 1.00 1.52 H new ATOM 0 HG21 VAL A 113 0.210 -13.614 4.530 1.00 1.18 H new ATOM 0 HG22 VAL A 113 1.330 -12.577 5.445 1.00 1.18 H new ATOM 0 HG23 VAL A 113 -0.410 -12.206 5.423 1.00 1.18 H new ATOM 1767 N PRO A 114 -1.418 -9.480 3.598 1.00 0.35 N ATOM 1768 CA PRO A 114 -2.653 -8.794 3.941 1.00 0.36 C ATOM 1769 C PRO A 114 -2.760 -8.490 5.432 1.00 0.33 C ATOM 1770 O PRO A 114 -3.259 -9.295 6.218 1.00 0.35 O ATOM 1771 CB PRO A 114 -3.679 -9.815 3.466 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.046 -10.447 2.249 1.00 0.46 C ATOM 1773 CD PRO A 114 -1.570 -10.083 2.270 1.00 0.42 C ATOM 0 HA PRO A 114 -2.764 -7.807 3.491 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -3.887 -10.558 4.237 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -4.628 -9.339 3.218 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -3.176 -11.529 2.266 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -3.519 -10.084 1.337 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -0.933 -10.959 2.145 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.312 -9.385 1.474 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.247 -7.317 5.800 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.222 -6.864 7.180 1.00 0.33 C ATOM 1783 C HIS A 115 -3.612 -6.481 7.652 1.00 0.34 C ATOM 1784 O HIS A 115 -4.156 -5.476 7.202 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.288 -5.654 7.289 1.00 0.39 C ATOM 1786 CG HIS A 115 -0.982 -5.233 8.692 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -1.955 -4.984 9.639 1.00 0.97 N ATOM 1788 CD2 HIS A 115 0.204 -4.989 9.299 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -1.379 -4.608 10.768 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.070 -4.606 10.588 1.00 0.67 N ATOM 0 H HIS A 115 -1.836 -6.655 5.142 1.00 0.33 H new ATOM 0 HA HIS A 115 -1.862 -7.676 7.811 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.352 -5.886 6.780 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -1.739 -4.814 6.761 1.00 0.39 H new ATOM 0 HD2 HIS A 115 1.183 -5.079 8.852 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -1.891 -4.347 11.682 1.00 0.87 H new ATOM 0 HE2 HIS A 115 0.625 -4.360 11.293 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.170 -7.277 8.563 1.00 0.34 N ATOM 1800 CA TYR A 116 -5.500 -6.998 9.100 1.00 0.42 C ATOM 1801 C TYR A 116 -5.635 -5.517 9.431 1.00 0.43 C ATOM 1802 O TYR A 116 -5.300 -5.076 10.530 1.00 0.49 O ATOM 1803 CB TYR A 116 -5.776 -7.861 10.339 1.00 0.52 C ATOM 1804 CG TYR A 116 -4.551 -8.192 11.175 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -3.568 -7.243 11.444 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -4.383 -9.466 11.706 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -2.463 -7.556 12.213 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -3.281 -9.786 12.474 1.00 1.31 C ATOM 1809 CZ TYR A 116 -2.324 -8.826 12.724 1.00 1.68 C ATOM 1810 OH TYR A 116 -1.224 -9.140 13.489 1.00 2.22 O ATOM 0 H TYR A 116 -3.726 -8.113 8.942 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.241 -7.251 8.342 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.499 -7.344 10.970 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.241 -8.793 10.018 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -3.671 -6.245 11.045 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -5.130 -10.221 11.514 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -1.711 -6.806 12.412 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -3.170 -10.782 12.876 1.00 1.31 H new ATOM 0 HH TYR A 116 -1.279 -10.076 13.773 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.111 -4.753 8.452 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.267 -3.314 8.606 1.00 0.50 C ATOM 1822 C ASP A 117 -6.945 -2.719 7.379 1.00 0.52 C ATOM 1823 O ASP A 117 -7.962 -2.031 7.486 1.00 0.73 O ATOM 1824 CB ASP A 117 -4.894 -2.666 8.785 1.00 0.52 C ATOM 1825 CG ASP A 117 -4.982 -1.261 9.350 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -6.111 -0.786 9.597 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -3.921 -0.631 9.546 1.00 0.87 O ATOM 0 H ASP A 117 -6.396 -5.111 7.540 1.00 0.42 H new ATOM 0 HA ASP A 117 -6.885 -3.122 9.483 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.289 -3.283 9.449 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.382 -2.636 7.823 1.00 0.52 H new ATOM 1832 N MET A 118 -6.363 -2.985 6.210 1.00 0.38 N ATOM 1833 CA MET A 118 -6.889 -2.476 4.950 1.00 0.39 C ATOM 1834 C MET A 118 -8.361 -2.836 4.773 1.00 0.38 C ATOM 1835 O MET A 118 -9.172 -2.013 4.357 1.00 0.45 O ATOM 1836 CB MET A 118 -6.081 -3.049 3.778 1.00 0.44 C ATOM 1837 CG MET A 118 -6.316 -4.529 3.504 1.00 0.48 C ATOM 1838 SD MET A 118 -5.827 -5.589 4.879 1.00 1.29 S ATOM 1839 CE MET A 118 -6.220 -7.205 4.216 1.00 2.05 C ATOM 0 H MET A 118 -5.522 -3.554 6.113 1.00 0.38 H new ATOM 0 HA MET A 118 -6.801 -1.390 4.967 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.323 -2.484 2.878 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.020 -2.894 3.976 1.00 0.44 H new ATOM 0 HG2 MET A 118 -7.372 -4.689 3.287 1.00 0.48 H new ATOM 0 HG3 MET A 118 -5.760 -4.820 2.613 1.00 0.48 H new ATOM 0 HE1 MET A 118 -5.860 -7.975 4.898 1.00 2.05 H new ATOM 0 HE2 MET A 118 -7.300 -7.298 4.101 1.00 2.05 H new ATOM 0 HE3 MET A 118 -5.740 -7.327 3.245 1.00 2.05 H new ATOM 1849 N LYS A 119 -8.670 -4.081 5.078 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.011 -4.632 4.947 1.00 0.47 C ATOM 1851 C LYS A 119 -10.990 -4.072 5.974 1.00 0.50 C ATOM 1852 O LYS A 119 -12.099 -4.580 6.126 1.00 0.80 O ATOM 1853 CB LYS A 119 -9.886 -6.136 5.057 1.00 0.57 C ATOM 1854 CG LYS A 119 -9.050 -6.561 6.251 1.00 0.69 C ATOM 1855 CD LYS A 119 -9.887 -6.713 7.513 1.00 0.80 C ATOM 1856 CE LYS A 119 -10.908 -7.833 7.377 1.00 1.02 C ATOM 1857 NZ LYS A 119 -11.731 -7.987 8.609 1.00 1.93 N ATOM 0 H LYS A 119 -7.987 -4.752 5.430 1.00 0.40 H new ATOM 0 HA LYS A 119 -10.429 -4.345 3.982 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -10.880 -6.576 5.138 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -9.437 -6.528 4.144 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.556 -7.507 6.028 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -8.265 -5.824 6.424 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -9.233 -6.917 8.361 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -10.401 -5.775 7.725 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -11.560 -7.629 6.528 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -10.393 -8.770 7.165 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -12.657 -8.390 8.360 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -11.245 -8.622 9.274 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -11.866 -7.057 9.054 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.582 -3.013 6.661 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.430 -2.370 7.653 1.00 0.52 C ATOM 1873 C ASN A 120 -11.511 -0.877 7.365 1.00 0.56 C ATOM 1874 O ASN A 120 -12.068 -0.105 8.143 1.00 0.74 O ATOM 1875 CB ASN A 120 -10.875 -2.597 9.060 1.00 0.53 C ATOM 1876 CG ASN A 120 -10.685 -4.062 9.380 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -11.621 -4.857 9.303 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -9.467 -4.421 9.754 1.00 1.30 N ATOM 0 H ASN A 120 -9.665 -2.581 6.548 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.428 -2.806 7.598 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -9.920 -2.081 9.158 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.553 -2.154 9.790 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -9.273 -5.393 9.993 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -8.723 -3.725 9.803 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.921 -0.482 6.238 1.00 0.49 N ATOM 1886 CA ARG A 121 -10.883 0.915 5.830 1.00 0.58 C ATOM 1887 C ARG A 121 -11.109 1.044 4.324 1.00 0.63 C ATOM 1888 O ARG A 121 -11.514 0.085 3.666 1.00 1.07 O ATOM 1889 CB ARG A 121 -9.518 1.496 6.195 1.00 0.64 C ATOM 1890 CG ARG A 121 -9.081 1.170 7.617 1.00 0.91 C ATOM 1891 CD ARG A 121 -9.451 2.282 8.588 1.00 1.24 C ATOM 1892 NE ARG A 121 -8.928 2.039 9.934 1.00 1.84 N ATOM 1893 CZ ARG A 121 -9.306 1.022 10.706 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -10.215 0.161 10.278 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -8.777 0.873 11.913 1.00 3.50 N ATOM 0 H ARG A 121 -10.460 -1.119 5.588 1.00 0.49 H new ATOM 0 HA ARG A 121 -11.675 1.460 6.343 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.772 1.116 5.498 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -9.548 2.579 6.071 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -9.547 0.238 7.936 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -8.003 1.011 7.639 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -9.064 3.231 8.216 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -10.536 2.376 8.633 1.00 1.24 H new ATOM 0 HE ARG A 121 -8.232 2.688 10.302 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -10.629 0.275 9.353 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -10.501 -0.616 10.873 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -8.080 1.538 12.250 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -9.067 0.094 12.504 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.826 2.228 3.778 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.984 2.446 2.354 1.00 0.61 C ATOM 1911 C GLY A 122 -9.738 3.047 1.751 1.00 0.56 C ATOM 1912 O GLY A 122 -9.623 3.151 0.540 1.00 0.70 O ATOM 0 H GLY A 122 -10.490 3.037 4.300 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -11.209 1.500 1.862 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.832 3.107 2.177 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.781 3.429 2.595 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.548 4.007 2.089 1.00 0.58 C ATOM 1918 C PHE A 123 -6.692 2.946 1.406 1.00 0.42 C ATOM 1919 O PHE A 123 -6.028 3.225 0.412 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.770 4.759 3.186 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.602 4.025 4.489 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -5.971 2.796 4.539 1.00 1.62 C ATOM 1923 CD2 PHE A 123 -7.065 4.582 5.670 1.00 2.11 C ATOM 1924 CE1 PHE A 123 -5.801 2.136 5.740 1.00 2.59 C ATOM 1925 CE2 PHE A 123 -6.901 3.927 6.873 1.00 3.16 C ATOM 1926 CZ PHE A 123 -6.267 2.701 6.909 1.00 3.31 C ATOM 0 H PHE A 123 -8.837 3.349 3.610 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.815 4.750 1.338 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -5.781 5.006 2.800 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -7.279 5.702 3.385 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.606 2.346 3.627 1.00 1.62 H new ATOM 0 HD2 PHE A 123 -7.561 5.541 5.649 1.00 2.11 H new ATOM 0 HE1 PHE A 123 -5.303 1.178 5.764 1.00 2.59 H new ATOM 0 HE2 PHE A 123 -7.268 4.373 7.786 1.00 3.16 H new ATOM 0 HZ PHE A 123 -6.136 2.186 7.849 1.00 3.31 H new ATOM 1936 N MET A 124 -6.726 1.725 1.925 1.00 0.37 N ATOM 1937 CA MET A 124 -5.968 0.629 1.334 1.00 0.38 C ATOM 1938 C MET A 124 -6.783 -0.124 0.283 1.00 0.38 C ATOM 1939 O MET A 124 -6.237 -0.600 -0.711 1.00 0.57 O ATOM 1940 CB MET A 124 -5.482 -0.340 2.417 1.00 0.50 C ATOM 1941 CG MET A 124 -4.331 0.214 3.246 1.00 0.90 C ATOM 1942 SD MET A 124 -3.772 -0.917 4.530 1.00 1.99 S ATOM 1943 CE MET A 124 -2.505 0.067 5.327 1.00 2.44 C ATOM 0 H MET A 124 -7.268 1.469 2.750 1.00 0.37 H new ATOM 0 HA MET A 124 -5.103 1.067 0.835 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.314 -0.582 3.078 1.00 0.50 H new ATOM 0 HB3 MET A 124 -5.167 -1.272 1.947 1.00 0.50 H new ATOM 0 HG2 MET A 124 -3.495 0.446 2.586 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.642 1.151 3.707 1.00 0.90 H new ATOM 0 HE1 MET A 124 -1.747 -0.591 5.752 1.00 2.44 H new ATOM 0 HE2 MET A 124 -2.043 0.728 4.594 1.00 2.44 H new ATOM 0 HE3 MET A 124 -2.954 0.664 6.121 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.084 -0.262 0.528 1.00 0.37 N ATOM 1954 CA LEU A 125 -8.966 -0.998 -0.377 1.00 0.41 C ATOM 1955 C LEU A 125 -9.476 -0.166 -1.562 1.00 0.34 C ATOM 1956 O LEU A 125 -9.411 -0.624 -2.701 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.156 -1.554 0.393 1.00 0.53 C ATOM 1958 CG LEU A 125 -9.818 -2.407 1.613 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -11.093 -2.930 2.249 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -8.897 -3.559 1.239 1.00 0.76 C ATOM 0 H LEU A 125 -8.552 0.127 1.347 1.00 0.37 H new ATOM 0 HA LEU A 125 -8.361 -1.803 -0.794 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -10.777 -0.719 0.718 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -10.759 -2.153 -0.290 1.00 0.53 H new ATOM 0 HG LEU A 125 -9.292 -1.781 2.334 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -10.843 -3.538 3.119 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -11.716 -2.091 2.559 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -11.637 -3.538 1.526 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -8.673 -4.149 2.128 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -9.387 -4.190 0.498 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -7.970 -3.164 0.823 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.018 1.032 -1.300 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.565 1.868 -2.372 1.00 0.32 C ATOM 1974 C TRP A 126 -9.601 1.961 -3.567 1.00 0.29 C ATOM 1975 O TRP A 126 -9.984 1.640 -4.692 1.00 0.31 O ATOM 1976 CB TRP A 126 -10.917 3.255 -1.837 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.353 4.240 -2.877 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -11.082 5.571 -2.862 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.126 3.998 -4.062 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.634 6.182 -3.961 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.278 5.237 -4.716 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -12.703 2.860 -4.638 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -12.982 5.369 -5.911 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -13.400 2.994 -5.824 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.534 4.240 -6.448 1.00 1.93 C ATOM 0 H TRP A 126 -10.088 1.438 -0.367 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.478 1.396 -2.734 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.712 3.153 -1.099 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.049 3.659 -1.316 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.514 6.076 -2.095 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.574 7.177 -4.180 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -12.605 1.894 -4.164 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -13.088 6.329 -6.395 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -13.849 2.122 -6.277 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.086 4.311 -7.374 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.337 2.389 -3.358 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.357 2.494 -4.451 1.00 0.29 C ATOM 1998 C PRO A 127 -7.015 1.131 -5.049 1.00 0.28 C ATOM 1999 O PRO A 127 -6.860 0.992 -6.261 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.118 3.105 -3.782 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.608 3.673 -2.495 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.753 2.796 -2.069 1.00 0.29 C ATOM 0 HA PRO A 127 -7.741 3.089 -5.279 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.350 2.350 -3.612 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.673 3.877 -4.409 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -5.818 3.677 -1.744 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -6.933 4.706 -2.622 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.413 1.938 -1.488 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.470 3.336 -1.451 1.00 0.29 H new ATOM 2010 N LEU A 128 -6.899 0.129 -4.180 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.579 -1.232 -4.601 1.00 0.26 C ATOM 2012 C LEU A 128 -7.683 -1.779 -5.495 1.00 0.27 C ATOM 2013 O LEU A 128 -7.445 -2.622 -6.360 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.421 -2.122 -3.368 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.335 -3.187 -3.436 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -3.964 -2.547 -3.573 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.398 -4.057 -2.191 1.00 0.44 C ATOM 0 H LEU A 128 -7.023 0.236 -3.173 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.646 -1.222 -5.164 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.219 -1.482 -2.509 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.374 -2.617 -3.180 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.503 -3.810 -4.315 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.202 -3.325 -3.620 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -3.930 -1.951 -4.485 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -3.774 -1.905 -2.713 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -4.620 -4.819 -2.240 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.244 -3.438 -1.307 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.374 -4.538 -2.132 1.00 0.44 H new ATOM 2029 N PHE A 129 -8.890 -1.278 -5.277 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.058 -1.685 -6.052 1.00 0.30 C ATOM 2031 C PHE A 129 -9.838 -1.352 -7.530 1.00 0.30 C ATOM 2032 O PHE A 129 -10.569 -1.810 -8.403 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.302 -0.956 -5.532 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.542 -1.192 -6.348 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.153 -2.434 -6.367 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.095 -0.167 -7.096 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.295 -2.648 -7.117 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.236 -0.372 -7.848 1.00 0.56 C ATOM 2039 CZ PHE A 129 -14.837 -1.616 -7.857 1.00 0.58 C ATOM 0 H PHE A 129 -9.089 -0.580 -4.561 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.204 -2.760 -5.947 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.491 -1.271 -4.506 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.097 0.114 -5.505 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.733 -3.245 -5.790 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -12.628 0.807 -7.092 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -14.763 -3.622 -7.124 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -14.656 0.437 -8.427 1.00 0.56 H new ATOM 0 HZ PHE A 129 -15.730 -1.781 -8.442 1.00 0.58 H new ATOM 2049 N GLU A 130 -8.832 -0.528 -7.795 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.512 -0.110 -9.152 1.00 0.31 C ATOM 2051 C GLU A 130 -7.258 -0.807 -9.670 1.00 0.29 C ATOM 2052 O GLU A 130 -7.136 -1.067 -10.867 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.328 1.406 -9.210 1.00 0.36 C ATOM 2054 CG GLU A 130 -9.568 2.184 -8.794 1.00 0.93 C ATOM 2055 CD GLU A 130 -9.379 3.685 -8.889 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -8.274 4.119 -9.279 1.00 2.43 O ATOM 2057 OE2 GLU A 130 -10.333 4.428 -8.574 1.00 1.52 O ATOM 0 H GLU A 130 -8.220 -0.134 -7.081 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.346 -0.396 -9.792 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -7.498 1.688 -8.563 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -8.053 1.692 -10.225 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -10.406 1.887 -9.425 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -9.831 1.920 -7.770 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.319 -1.095 -8.769 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.075 -1.745 -9.161 1.00 0.27 C ATOM 2066 C ILE A 131 -5.329 -3.195 -9.529 1.00 0.27 C ATOM 2067 O ILE A 131 -4.670 -3.759 -10.400 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.037 -1.667 -8.016 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.388 -2.616 -6.853 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -3.956 -0.236 -7.512 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.851 -4.022 -7.011 1.00 0.59 C ATOM 0 H ILE A 131 -6.397 -0.890 -7.773 1.00 0.26 H new ATOM 0 HA ILE A 131 -4.677 -1.223 -10.032 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.071 -1.982 -8.412 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -4.000 -2.194 -5.926 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -5.472 -2.663 -6.753 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.226 -0.175 -6.705 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -3.651 0.420 -8.327 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -4.933 0.075 -7.142 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -4.144 -4.622 -6.150 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -4.258 -4.467 -7.919 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -2.764 -3.991 -7.079 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.327 -3.767 -8.877 1.00 0.24 N ATOM 2084 CA ALA A 132 -6.737 -5.147 -9.120 1.00 0.25 C ATOM 2085 C ALA A 132 -7.773 -5.594 -8.096 1.00 0.23 C ATOM 2086 O ALA A 132 -7.433 -6.140 -7.053 1.00 0.28 O ATOM 2087 CB ALA A 132 -5.540 -6.089 -9.103 1.00 0.30 C ATOM 0 H ALA A 132 -6.878 -3.291 -8.163 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.188 -5.186 -10.111 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -5.877 -7.109 -9.287 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -4.834 -5.795 -9.880 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.051 -6.038 -8.130 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.058 -5.350 -8.373 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.150 -5.706 -7.474 1.00 0.31 C ATOM 2095 C PRO A 133 -10.779 -7.050 -7.813 1.00 0.35 C ATOM 2096 O PRO A 133 -11.881 -7.366 -7.359 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.113 -4.574 -7.749 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.022 -4.406 -9.230 1.00 0.37 C ATOM 2099 CD PRO A 133 -9.575 -4.674 -9.582 1.00 0.29 C ATOM 0 HA PRO A 133 -9.843 -5.818 -6.434 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.126 -4.821 -7.433 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -10.827 -3.664 -7.221 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -11.686 -5.101 -9.745 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.319 -3.401 -9.529 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -9.485 -5.305 -10.467 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.033 -3.752 -9.792 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.067 -7.845 -8.600 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.540 -9.167 -8.990 1.00 0.37 C ATOM 2109 C GLU A 134 -9.936 -10.186 -8.050 1.00 0.37 C ATOM 2110 O GLU A 134 -9.697 -11.341 -8.407 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.144 -9.471 -10.437 1.00 0.44 C ATOM 2112 CG GLU A 134 -8.643 -9.441 -10.669 1.00 0.46 C ATOM 2113 CD GLU A 134 -8.271 -9.658 -12.124 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -9.188 -9.838 -12.952 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -7.061 -9.645 -12.438 1.00 0.87 O ATOM 0 H GLU A 134 -9.155 -7.596 -8.983 1.00 0.32 H new ATOM 0 HA GLU A 134 -11.628 -9.205 -8.928 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -10.527 -10.453 -10.712 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -10.621 -8.746 -11.097 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.247 -8.481 -10.336 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.170 -10.210 -10.059 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.662 -9.711 -6.849 1.00 0.30 N ATOM 2123 CA LEU A 135 -9.043 -10.508 -5.814 1.00 0.35 C ATOM 2124 C LEU A 135 -10.078 -11.060 -4.849 1.00 0.34 C ATOM 2125 O LEU A 135 -11.049 -10.385 -4.515 1.00 0.39 O ATOM 2126 CB LEU A 135 -8.053 -9.623 -5.070 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.932 -10.337 -4.316 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -7.445 -10.945 -3.020 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.286 -11.404 -5.186 1.00 1.41 C ATOM 0 H LEU A 135 -9.866 -8.753 -6.565 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.535 -11.360 -6.266 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.600 -8.940 -5.788 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.609 -9.014 -4.358 1.00 0.41 H new ATOM 0 HG LEU A 135 -6.175 -9.594 -4.066 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -6.626 -11.447 -2.504 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.847 -10.157 -2.383 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -8.230 -11.667 -3.243 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.491 -11.898 -4.627 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -7.036 -12.140 -5.477 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.867 -10.941 -6.079 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.847 -12.279 -4.391 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.741 -12.922 -3.443 1.00 0.38 C ATOM 2143 C VAL A 136 -9.944 -13.637 -2.360 1.00 0.42 C ATOM 2144 O VAL A 136 -9.182 -14.563 -2.641 1.00 0.53 O ATOM 2145 CB VAL A 136 -11.706 -13.906 -4.138 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.953 -14.813 -5.098 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -12.470 -14.732 -3.112 1.00 0.44 C ATOM 0 H VAL A 136 -9.043 -12.846 -4.662 1.00 0.36 H new ATOM 0 HA VAL A 136 -11.345 -12.140 -2.982 1.00 0.38 H new ATOM 0 HB VAL A 136 -12.426 -13.322 -4.711 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -11.653 -15.498 -5.576 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -10.460 -14.208 -5.859 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -10.205 -15.384 -4.548 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -13.144 -15.418 -3.626 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.765 -15.301 -2.506 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -13.049 -14.069 -2.469 1.00 0.44 H new ATOM 2157 N PHE A 137 -10.118 -13.188 -1.120 1.00 0.46 N ATOM 2158 CA PHE A 137 -9.411 -13.771 0.008 1.00 0.53 C ATOM 2159 C PHE A 137 -9.721 -15.257 0.127 1.00 0.57 C ATOM 2160 O PHE A 137 -10.804 -15.701 -0.250 1.00 0.60 O ATOM 2161 CB PHE A 137 -9.783 -13.049 1.309 1.00 0.59 C ATOM 2162 CG PHE A 137 -9.242 -11.646 1.416 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -9.406 -10.732 0.384 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -8.567 -11.242 2.558 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.906 -9.447 0.491 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -8.066 -9.958 2.669 1.00 0.68 C ATOM 2167 CZ PHE A 137 -8.236 -9.059 1.635 1.00 0.64 C ATOM 0 H PHE A 137 -10.744 -12.421 -0.874 1.00 0.46 H new ATOM 0 HA PHE A 137 -8.341 -13.652 -0.164 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.869 -13.015 1.394 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -9.416 -13.633 2.153 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.930 -11.028 -0.513 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -8.431 -11.939 3.371 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -9.039 -8.747 -0.320 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.542 -9.658 3.564 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.846 -8.055 1.720 1.00 0.64 H new ATOM 2177 N PRO A 138 -8.771 -16.048 0.659 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.952 -17.492 0.832 1.00 0.66 C ATOM 2179 C PRO A 138 -10.249 -17.822 1.565 1.00 0.73 C ATOM 2180 O PRO A 138 -10.693 -18.971 1.585 1.00 0.78 O ATOM 2181 CB PRO A 138 -7.741 -17.904 1.671 1.00 0.70 C ATOM 2182 CG PRO A 138 -6.704 -16.882 1.366 1.00 0.75 C ATOM 2183 CD PRO A 138 -7.447 -15.596 1.134 1.00 0.62 C ATOM 0 HA PRO A 138 -9.020 -18.015 -0.122 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.982 -17.918 2.734 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -7.399 -18.905 1.408 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -5.999 -16.782 2.192 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -6.126 -17.163 0.486 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -7.527 -15.007 2.048 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.947 -14.970 0.395 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.853 -16.798 2.166 1.00 0.77 N ATOM 2192 CA ASP A 139 -12.100 -16.959 2.904 1.00 0.87 C ATOM 2193 C ASP A 139 -13.281 -17.085 1.946 1.00 0.80 C ATOM 2194 O ASP A 139 -14.035 -18.057 1.998 1.00 1.03 O ATOM 2195 CB ASP A 139 -12.319 -15.761 3.828 1.00 0.92 C ATOM 2196 CG ASP A 139 -13.311 -16.059 4.936 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -13.054 -16.992 5.726 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -14.342 -15.361 5.016 1.00 1.91 O ATOM 0 H ASP A 139 -10.494 -15.843 2.155 1.00 0.77 H new ATOM 0 HA ASP A 139 -12.031 -17.870 3.498 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.366 -15.465 4.267 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -12.676 -14.914 3.242 1.00 0.92 H new ATOM 2203 N GLY A 140 -13.429 -16.093 1.074 1.00 0.59 N ATOM 2204 CA GLY A 140 -14.518 -16.102 0.110 1.00 0.59 C ATOM 2205 C GLY A 140 -15.002 -14.710 -0.261 1.00 0.61 C ATOM 2206 O GLY A 140 -16.041 -14.564 -0.906 1.00 0.95 O ATOM 0 H GLY A 140 -12.814 -15.281 1.016 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -14.191 -16.618 -0.793 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -15.352 -16.672 0.519 1.00 0.59 H new ATOM 2210 N GLU A 141 -14.252 -13.685 0.140 1.00 0.51 N ATOM 2211 CA GLU A 141 -14.617 -12.303 -0.161 1.00 0.62 C ATOM 2212 C GLU A 141 -13.684 -11.693 -1.195 1.00 0.53 C ATOM 2213 O GLU A 141 -12.623 -12.234 -1.477 1.00 0.59 O ATOM 2214 CB GLU A 141 -14.595 -11.450 1.103 1.00 0.86 C ATOM 2215 CG GLU A 141 -15.766 -11.711 2.032 1.00 1.38 C ATOM 2216 CD GLU A 141 -15.814 -13.142 2.526 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -14.828 -13.591 3.147 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -16.839 -13.817 2.290 1.00 2.53 O ATOM 0 H GLU A 141 -13.389 -13.786 0.674 1.00 0.51 H new ATOM 0 HA GLU A 141 -15.627 -12.320 -0.569 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -13.666 -11.637 1.642 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -14.593 -10.397 0.821 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -15.703 -11.038 2.887 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -16.695 -11.479 1.512 1.00 1.38 H new ATOM 2225 N MET A 142 -14.093 -10.555 -1.745 1.00 0.48 N ATOM 2226 CA MET A 142 -13.292 -9.856 -2.753 1.00 0.41 C ATOM 2227 C MET A 142 -13.027 -8.416 -2.334 1.00 0.37 C ATOM 2228 O MET A 142 -13.635 -7.921 -1.389 1.00 0.39 O ATOM 2229 CB MET A 142 -14.015 -9.871 -4.097 1.00 0.42 C ATOM 2230 CG MET A 142 -14.330 -11.269 -4.603 1.00 0.49 C ATOM 2231 SD MET A 142 -15.123 -11.263 -6.222 1.00 0.55 S ATOM 2232 CE MET A 142 -16.607 -10.322 -5.874 1.00 1.68 C ATOM 0 H MET A 142 -14.973 -10.094 -1.513 1.00 0.48 H new ATOM 0 HA MET A 142 -12.337 -10.373 -2.846 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.944 -9.309 -4.006 1.00 0.42 H new ATOM 0 HB3 MET A 142 -13.401 -9.356 -4.836 1.00 0.42 H new ATOM 0 HG2 MET A 142 -13.408 -11.847 -4.657 1.00 0.49 H new ATOM 0 HG3 MET A 142 -14.980 -11.772 -3.887 1.00 0.49 H new ATOM 0 HE1 MET A 142 -17.348 -10.510 -6.651 1.00 1.68 H new ATOM 0 HE2 MET A 142 -17.011 -10.623 -4.907 1.00 1.68 H new ATOM 0 HE3 MET A 142 -16.367 -9.259 -5.851 1.00 1.68 H new ATOM 2242 N LEU A 143 -12.131 -7.731 -3.048 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.824 -6.354 -2.739 1.00 0.39 C ATOM 2244 C LEU A 143 -13.051 -5.493 -2.991 1.00 0.41 C ATOM 2245 O LEU A 143 -13.177 -4.386 -2.467 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.647 -5.898 -3.596 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.099 -4.512 -3.285 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -9.716 -4.405 -1.818 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -8.901 -4.230 -4.167 1.00 1.56 C ATOM 0 H LEU A 143 -11.613 -8.115 -3.839 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.547 -6.256 -1.689 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.839 -6.621 -3.484 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -10.953 -5.921 -4.642 1.00 0.44 H new ATOM 0 HG LEU A 143 -10.873 -3.772 -3.487 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -9.327 -3.407 -1.615 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -10.595 -4.584 -1.199 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -8.952 -5.147 -1.586 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -8.510 -3.237 -3.943 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -8.128 -4.975 -3.980 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.202 -4.274 -5.214 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.964 -6.036 -3.788 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.209 -5.359 -4.117 1.00 0.47 C ATOM 2263 C ARG A 144 -16.246 -5.584 -3.024 1.00 0.49 C ATOM 2264 O ARG A 144 -16.866 -4.638 -2.537 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.740 -5.862 -5.460 1.00 0.54 C ATOM 2266 CG ARG A 144 -17.124 -5.338 -5.814 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.199 -3.824 -5.699 1.00 0.88 C ATOM 2268 NE ARG A 144 -18.399 -3.287 -6.329 1.00 1.47 N ATOM 2269 CZ ARG A 144 -18.663 -1.988 -6.425 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -17.810 -1.097 -5.938 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -19.779 -1.580 -7.014 1.00 2.83 N ATOM 0 H ARG A 144 -13.861 -6.954 -4.222 1.00 0.39 H new ATOM 0 HA ARG A 144 -15.013 -4.289 -4.191 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -15.042 -5.574 -6.246 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.769 -6.951 -5.443 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -17.378 -5.639 -6.831 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.864 -5.790 -5.154 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -17.183 -3.539 -4.647 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -16.317 -3.381 -6.162 1.00 0.88 H new ATOM 0 HE ARG A 144 -19.074 -3.945 -6.718 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -16.949 -1.408 -5.488 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -18.015 -0.101 -6.013 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -20.435 -2.263 -7.393 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -19.982 -0.583 -7.088 1.00 2.83 H new ATOM 2285 N GLN A 145 -16.424 -6.844 -2.639 1.00 0.47 N ATOM 2286 CA GLN A 145 -17.384 -7.197 -1.598 1.00 0.52 C ATOM 2287 C GLN A 145 -17.028 -6.519 -0.279 1.00 0.48 C ATOM 2288 O GLN A 145 -17.907 -6.043 0.441 1.00 0.56 O ATOM 2289 CB GLN A 145 -17.441 -8.722 -1.427 1.00 0.57 C ATOM 2290 CG GLN A 145 -18.278 -9.193 -0.244 1.00 0.64 C ATOM 2291 CD GLN A 145 -17.529 -9.137 1.081 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -18.098 -9.406 2.139 1.00 0.67 O ATOM 2293 NE2 GLN A 145 -16.243 -8.798 1.029 1.00 0.52 N ATOM 0 H GLN A 145 -15.917 -7.637 -3.032 1.00 0.47 H new ATOM 0 HA GLN A 145 -18.369 -6.843 -1.901 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -17.843 -9.163 -2.339 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -16.425 -9.100 -1.311 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -19.175 -8.577 -0.173 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -18.608 -10.216 -0.425 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -15.808 -8.582 0.132 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -15.692 -8.754 1.886 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.736 -6.483 0.038 1.00 0.40 N ATOM 2303 CA ILE A 146 -15.269 -5.867 1.274 1.00 0.40 C ATOM 2304 C ILE A 146 -15.597 -4.381 1.292 1.00 0.43 C ATOM 2305 O ILE A 146 -16.252 -3.894 2.212 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.750 -6.050 1.464 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -13.392 -7.537 1.505 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.294 -5.361 2.743 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.904 -7.803 1.569 1.00 0.78 C ATOM 0 H ILE A 146 -14.995 -6.873 -0.545 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.786 -6.367 2.093 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.236 -5.594 0.618 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.871 -7.993 2.371 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -13.802 -8.025 0.620 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -12.220 -5.497 2.866 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.520 -4.296 2.683 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.815 -5.796 3.596 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -11.727 -8.878 1.595 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -11.420 -7.377 0.690 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -11.491 -7.345 2.468 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.139 -3.668 0.270 1.00 0.42 N ATOM 2322 CA LEU A 147 -15.381 -2.236 0.168 1.00 0.50 C ATOM 2323 C LEU A 147 -16.868 -1.915 0.166 1.00 0.59 C ATOM 2324 O LEU A 147 -17.288 -0.892 0.709 1.00 0.72 O ATOM 2325 CB LEU A 147 -14.711 -1.681 -1.084 1.00 0.55 C ATOM 2326 CG LEU A 147 -13.225 -1.379 -0.923 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -12.619 -0.940 -2.246 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -13.029 -0.307 0.142 1.00 0.62 C ATOM 0 H LEU A 147 -14.597 -4.060 -0.500 1.00 0.42 H new ATOM 0 HA LEU A 147 -14.947 -1.759 1.047 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -14.838 -2.396 -1.896 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -15.225 -0.767 -1.381 1.00 0.55 H new ATOM 0 HG LEU A 147 -12.713 -2.288 -0.606 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -11.558 -0.730 -2.108 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -12.739 -1.735 -2.983 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -13.125 -0.041 -2.597 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -11.966 -0.095 0.253 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -13.551 0.602 -0.156 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -13.430 -0.660 1.092 1.00 0.62 H new ATOM 2340 N HIS A 148 -17.661 -2.794 -0.432 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.107 -2.602 -0.483 1.00 0.73 C ATOM 2342 C HIS A 148 -19.662 -2.393 0.920 1.00 0.79 C ATOM 2343 O HIS A 148 -20.758 -1.864 1.100 1.00 0.90 O ATOM 2344 CB HIS A 148 -19.772 -3.811 -1.151 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.267 -3.717 -1.235 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.088 -3.743 -0.125 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.089 -3.598 -2.304 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.347 -3.642 -0.510 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.375 -3.552 -1.827 1.00 1.34 N ATOM 0 H HIS A 148 -17.330 -3.645 -0.888 1.00 0.59 H new ATOM 0 HA HIS A 148 -19.326 -1.713 -1.074 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.368 -3.925 -2.157 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.506 -4.711 -0.597 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -21.788 -3.548 -3.340 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.208 -3.634 0.142 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.216 -3.463 -2.397 1.00 1.34 H new ATOM 2358 N THR A 149 -18.893 -2.825 1.914 1.00 0.77 N ATOM 2359 CA THR A 149 -19.299 -2.707 3.307 1.00 0.88 C ATOM 2360 C THR A 149 -18.345 -1.812 4.112 1.00 0.86 C ATOM 2361 O THR A 149 -18.630 -1.479 5.261 1.00 0.94 O ATOM 2362 CB THR A 149 -19.371 -4.104 3.933 1.00 0.90 C ATOM 2363 OG1 THR A 149 -20.280 -4.922 3.219 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.806 -4.103 5.383 1.00 1.18 C ATOM 0 H THR A 149 -17.981 -3.262 1.778 1.00 0.77 H new ATOM 0 HA THR A 149 -20.281 -2.235 3.335 1.00 0.88 H new ATOM 0 HB THR A 149 -18.353 -4.490 3.881 1.00 0.90 H new ATOM 0 HG1 THR A 149 -20.313 -5.811 3.630 1.00 1.10 H new ATOM 0 HG21 THR A 149 -19.833 -5.127 5.756 1.00 1.18 H new ATOM 0 HG22 THR A 149 -19.100 -3.520 5.974 1.00 1.18 H new ATOM 0 HG23 THR A 149 -20.799 -3.661 5.465 1.00 1.18 H new ATOM 2372 N ARG A 150 -17.210 -1.429 3.522 1.00 0.86 N ATOM 2373 CA ARG A 150 -16.244 -0.588 4.237 1.00 0.93 C ATOM 2374 C ARG A 150 -16.494 0.900 4.015 1.00 0.95 C ATOM 2375 O ARG A 150 -16.940 1.593 4.929 1.00 1.05 O ATOM 2376 CB ARG A 150 -14.825 -0.914 3.788 1.00 0.99 C ATOM 2377 CG ARG A 150 -14.436 -2.370 3.960 1.00 0.96 C ATOM 2378 CD ARG A 150 -14.325 -2.765 5.427 1.00 1.26 C ATOM 2379 NE ARG A 150 -15.621 -2.771 6.102 1.00 2.01 N ATOM 2380 CZ ARG A 150 -15.783 -3.070 7.388 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -14.737 -3.384 8.138 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -16.996 -3.053 7.926 1.00 3.55 N ATOM 0 H ARG A 150 -16.940 -1.681 2.571 1.00 0.86 H new ATOM 0 HA ARG A 150 -16.369 -0.803 5.298 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -14.717 -0.643 2.738 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -14.127 -0.294 4.351 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.176 -3.003 3.470 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -13.483 -2.551 3.463 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -13.875 -3.755 5.501 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -13.656 -2.072 5.937 1.00 1.26 H new ATOM 0 HE ARG A 150 -16.449 -2.532 5.556 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -13.802 -3.397 7.730 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -14.866 -3.613 9.124 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -17.805 -2.811 7.353 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -17.120 -3.282 8.912 1.00 3.55 H new ATOM 2396 N ALA A 151 -16.201 1.370 2.792 1.00 0.94 N ATOM 2397 CA ALA A 151 -16.377 2.780 2.413 1.00 1.04 C ATOM 2398 C ALA A 151 -15.419 3.182 1.290 1.00 1.11 C ATOM 2399 O ALA A 151 -14.629 4.115 1.448 1.00 1.59 O ATOM 2400 CB ALA A 151 -16.165 3.711 3.601 1.00 1.61 C ATOM 0 H ALA A 151 -15.836 0.785 2.040 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.404 2.879 2.061 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -16.303 4.744 3.283 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -16.886 3.473 4.383 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -15.154 3.583 3.988 1.00 1.61 H new ATOM 2406 N PHE A 152 -15.492 2.485 0.160 1.00 1.09 N ATOM 2407 CA PHE A 152 -14.629 2.787 -0.989 1.00 1.61 C ATOM 2408 C PHE A 152 -15.063 4.071 -1.684 1.00 1.38 C ATOM 2409 O PHE A 152 -14.844 4.260 -2.879 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.653 1.639 -1.989 1.00 2.51 C ATOM 2411 CG PHE A 152 -16.016 1.377 -2.546 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -16.943 0.672 -1.808 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -16.372 1.844 -3.797 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -18.208 0.430 -2.305 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -17.635 1.608 -4.305 1.00 5.41 C ATOM 2416 CZ PHE A 152 -18.556 0.899 -3.555 1.00 5.37 C ATOM 0 H PHE A 152 -16.136 1.708 0.011 1.00 1.09 H new ATOM 0 HA PHE A 152 -13.615 2.920 -0.612 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.969 1.863 -2.808 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -14.285 0.735 -1.505 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -16.676 0.304 -0.828 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -15.655 2.399 -4.384 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -18.924 -0.125 -1.717 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -17.902 1.976 -5.285 1.00 5.41 H new ATOM 0 HZ PHE A 152 -19.545 0.713 -3.947 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.666 4.947 -0.912 1.00 1.04 N ATOM 2427 CA ASP A 153 -16.136 6.232 -1.410 1.00 1.18 C ATOM 2428 C ASP A 153 -15.351 7.362 -0.759 1.00 1.01 C ATOM 2429 O ASP A 153 -15.405 8.510 -1.198 1.00 1.40 O ATOM 2430 CB ASP A 153 -17.630 6.399 -1.131 1.00 1.46 C ATOM 2431 CG ASP A 153 -18.468 5.328 -1.801 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -18.418 5.227 -3.045 1.00 2.52 O ATOM 2433 OD2 ASP A 153 -19.175 4.590 -1.084 1.00 2.54 O ATOM 0 H ASP A 153 -15.847 4.794 0.080 1.00 1.04 H new ATOM 0 HA ASP A 153 -15.979 6.267 -2.488 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -17.801 6.370 -0.055 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -17.954 7.380 -1.479 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.615 7.014 0.292 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.799 7.973 1.016 1.00 0.59 C ATOM 2440 C LYS A 154 -12.618 8.413 0.160 1.00 0.52 C ATOM 2441 O LYS A 154 -12.724 8.496 -1.064 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.287 7.337 2.312 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.390 6.845 3.234 1.00 0.79 C ATOM 2444 CD LYS A 154 -13.826 6.320 4.548 1.00 0.93 C ATOM 2445 CE LYS A 154 -12.895 5.137 4.330 1.00 0.94 C ATOM 2446 NZ LYS A 154 -12.302 4.653 5.607 1.00 1.77 N ATOM 0 H LYS A 154 -14.570 6.064 0.661 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.407 8.846 1.254 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.636 6.500 2.062 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -12.678 8.066 2.847 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.087 7.658 3.435 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -14.955 6.056 2.738 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -13.286 7.119 5.057 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -14.645 6.022 5.202 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.445 4.325 3.855 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.097 5.425 3.645 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -12.023 3.656 5.505 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -11.465 5.225 5.840 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.003 4.740 6.370 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.489 8.667 0.813 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.273 9.068 0.123 1.00 0.57 C ATOM 2462 C LEU A 155 -10.551 10.148 -0.920 1.00 0.51 C ATOM 2463 O LEU A 155 -10.566 9.862 -2.119 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.632 7.869 -0.584 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.495 6.564 0.216 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -10.845 5.893 0.419 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -8.544 5.639 -0.520 1.00 1.95 C ATOM 0 H LEU A 155 -11.393 8.601 1.826 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.596 9.464 0.880 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -10.216 7.655 -1.479 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.637 8.166 -0.916 1.00 0.67 H new ATOM 0 HG LEU A 155 -9.098 6.793 1.205 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -10.712 4.973 0.988 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -11.507 6.565 0.965 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -11.285 5.659 -0.551 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -8.438 4.708 0.037 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -8.940 5.424 -1.512 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -7.570 6.119 -0.614 1.00 1.95 H new ATOM 2479 N ASN A 156 -10.754 11.384 -0.482 1.00 0.54 N ATOM 2480 CA ASN A 156 -11.007 12.470 -1.415 1.00 0.54 C ATOM 2481 C ASN A 156 -9.763 12.733 -2.249 1.00 0.53 C ATOM 2482 O ASN A 156 -8.708 13.050 -1.712 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.420 13.729 -0.669 1.00 0.63 C ATOM 2484 CG ASN A 156 -11.577 14.919 -1.592 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -12.401 14.909 -2.506 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -10.779 15.950 -1.353 1.00 1.34 N ATOM 0 H ASN A 156 -10.748 11.656 0.501 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.824 12.182 -2.077 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -12.361 13.548 -0.149 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -10.674 13.958 0.092 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -10.832 16.783 -1.939 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -10.112 15.911 -0.583 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.907 12.581 -3.557 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.801 12.773 -4.503 1.00 0.46 C ATOM 2495 C LYS A 157 -7.812 13.843 -4.053 1.00 0.48 C ATOM 2496 O LYS A 157 -8.183 14.992 -3.808 1.00 0.64 O ATOM 2497 CB LYS A 157 -9.339 13.122 -5.890 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.704 11.907 -6.726 1.00 0.60 C ATOM 2499 CD LYS A 157 -10.428 12.309 -8.001 1.00 1.33 C ATOM 2500 CE LYS A 157 -10.772 11.097 -8.853 1.00 1.77 C ATOM 2501 NZ LYS A 157 -11.644 10.135 -8.127 1.00 2.30 N ATOM 0 H LYS A 157 -10.789 12.322 -3.999 1.00 0.46 H new ATOM 0 HA LYS A 157 -8.260 11.827 -4.541 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -10.220 13.754 -5.780 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.591 13.708 -6.424 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.800 11.352 -6.978 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -10.336 11.238 -6.142 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -11.341 12.848 -7.748 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -9.803 12.993 -8.575 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -11.273 11.425 -9.764 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -9.853 10.595 -9.157 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -12.033 9.443 -8.799 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -11.086 9.638 -7.403 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -12.424 10.650 -7.670 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.542 13.445 -3.961 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.469 14.350 -3.562 1.00 0.54 C ATOM 2517 C TRP A 158 -5.494 15.624 -4.404 1.00 0.75 C ATOM 2518 O TRP A 158 -5.683 15.515 -5.634 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.108 13.644 -3.701 1.00 0.62 C ATOM 2520 CG TRP A 158 -2.961 14.588 -3.895 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -2.184 14.712 -5.012 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.458 15.529 -2.947 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -1.235 15.686 -4.819 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.382 16.202 -3.558 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -2.815 15.872 -1.644 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -0.663 17.201 -2.906 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -2.102 16.862 -0.999 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -1.035 17.517 -1.629 1.00 1.07 C ATOM 2529 OXT TRP A 158 -5.326 16.718 -3.826 1.00 1.47 O ATOM 0 H TRP A 158 -6.232 12.494 -4.160 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.620 14.629 -2.519 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.927 13.043 -2.810 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -4.149 12.957 -4.546 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -2.299 14.130 -5.914 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -0.536 15.977 -5.502 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -3.634 15.372 -1.148 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 0.158 17.707 -3.391 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -2.371 17.137 0.010 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -0.496 18.286 -1.095 1.00 1.07 H new TER 2540 TRP A 158