USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 907 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 99 SER OG : rot -77:sc= 1.17 USER MOD Set 1.2: A 106 ASN : amide:sc= 0.634 K(o=1.8,f=-6.7!) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.939 X(o=-0.74,f=-0.62) USER MOD Set 2.2: A 98 GLN : amide:sc= 0.194 X(o=-0.74,f=-0.62) USER MOD Set 3.1: A 78 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Set 3.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 59 CYS SG : rot 175:sc= -2.49 USER MOD Set 5.1: A 15 TYR OH : rot 42:sc= -1.95! USER MOD Set 5.2: A 46 SER OG : rot 74:sc= 1.44 USER MOD Set 6.1: A 8 GLN : amide:sc= 0.107 K(o=2.4,f=-12!) USER MOD Set 6.2: A 12 LYS NZ :NH3+ -128:sc= 2.32 (180deg=0.0254) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.607 K(o=-0.61,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= -0.763 (180deg=-1.68) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0987 F(o=-0.95,f=-0.099) USER MOD Single : A 28 SER OG : rot -159:sc= 0.454 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= -1.69! (180deg=-3.4!) USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= 1.99 (180deg=0.0782) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= -0.0931 (180deg=-0.467) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.0733 F(o=-0.86,f=-0.073) USER MOD Single : A 87 TYR OH : rot 70:sc= -1.78! USER MOD Single : A 92 TYR OH : rot 12:sc= 0.953 USER MOD Single : A 94 TYR OH : rot -133:sc= 0.494 USER MOD Single : A 96 MET CE :methyl 162:sc= -0.116 (180deg=-0.573) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.9!) USER MOD Single : A 105 CYS SG : rot -31:sc= 0.151 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 112 ASN : amide:sc= -1.49! C(o=-1.5!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 10.682 12.169 -2.229 1.00 0.00 N ATOM 46 CA GLU A 4 11.005 11.492 -0.971 1.00 0.00 C ATOM 47 C GLU A 4 11.090 9.975 -1.172 1.00 0.00 C ATOM 48 O GLU A 4 11.938 9.307 -0.575 1.00 0.00 O ATOM 49 CB GLU A 4 9.978 11.832 0.125 1.00 0.00 C ATOM 50 CG GLU A 4 10.074 13.262 0.662 1.00 0.00 C ATOM 51 CD GLU A 4 9.513 14.316 -0.286 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.219 14.719 -1.236 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.365 14.758 -0.074 1.00 0.00 O ATOM 0 HA GLU A 4 11.981 11.852 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.975 11.673 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.107 11.136 0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.541 13.320 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.119 13.493 0.869 1.00 0.00 H new ATOM 60 N LEU A 5 10.221 9.441 -2.028 1.00 0.00 N ATOM 61 CA LEU A 5 10.256 8.022 -2.385 1.00 0.00 C ATOM 62 C LEU A 5 11.172 7.804 -3.590 1.00 0.00 C ATOM 63 O LEU A 5 11.853 6.781 -3.695 1.00 0.00 O ATOM 64 CB LEU A 5 8.840 7.506 -2.704 1.00 0.00 C ATOM 65 CG LEU A 5 8.764 6.044 -3.198 1.00 0.00 C ATOM 66 CD1 LEU A 5 9.257 5.075 -2.125 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.343 5.687 -3.631 1.00 0.00 C ATOM 0 H LEU A 5 9.481 9.971 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 5 10.646 7.464 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.226 7.602 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.399 8.152 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 5 9.419 5.952 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.192 4.054 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.293 5.305 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.638 5.174 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.316 4.653 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.664 5.807 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.033 6.347 -4.442 1.00 0.00 H new ATOM 79 N GLU A 6 11.196 8.791 -4.481 1.00 0.00 N ATOM 80 CA GLU A 6 11.948 8.711 -5.734 1.00 0.00 C ATOM 81 C GLU A 6 13.435 9.021 -5.510 1.00 0.00 C ATOM 82 O GLU A 6 14.215 9.070 -6.465 1.00 0.00 O ATOM 83 CB GLU A 6 11.354 9.682 -6.769 1.00 0.00 C ATOM 84 CG GLU A 6 11.819 9.417 -8.198 1.00 0.00 C ATOM 85 CD GLU A 6 11.523 10.572 -9.142 1.00 0.00 C ATOM 86 OE1 GLU A 6 10.383 10.673 -9.635 1.00 0.00 O ATOM 87 OE2 GLU A 6 12.443 11.380 -9.404 1.00 0.00 O ATOM 0 H GLU A 6 10.695 9.671 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 6 11.869 7.692 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.267 9.617 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.622 10.702 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.892 9.223 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.333 8.516 -8.571 1.00 0.00 H new ATOM 94 N ALA A 7 13.803 9.264 -4.249 1.00 0.00 N ATOM 95 CA ALA A 7 15.191 9.538 -3.856 1.00 0.00 C ATOM 96 C ALA A 7 16.191 8.683 -4.635 1.00 0.00 C ATOM 97 O ALA A 7 17.229 9.177 -5.081 1.00 0.00 O ATOM 98 CB ALA A 7 15.361 9.316 -2.358 1.00 0.00 C ATOM 0 H ALA A 7 13.146 9.277 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 7 15.401 10.580 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 7 16.393 9.521 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 7 14.695 9.985 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 7 15.116 8.282 -2.113 1.00 0.00 H new ATOM 104 N GLN A 8 15.879 7.401 -4.793 1.00 0.00 N ATOM 105 CA GLN A 8 16.698 6.518 -5.616 1.00 0.00 C ATOM 106 C GLN A 8 16.200 6.584 -7.060 1.00 0.00 C ATOM 107 O GLN A 8 14.992 6.588 -7.309 1.00 0.00 O ATOM 108 CB GLN A 8 16.638 5.073 -5.092 1.00 0.00 C ATOM 109 CG GLN A 8 17.129 4.896 -3.653 1.00 0.00 C ATOM 110 CD GLN A 8 16.199 5.516 -2.617 1.00 0.00 C ATOM 111 OE1 GLN A 8 14.984 5.587 -2.816 1.00 0.00 O ATOM 112 NE2 GLN A 8 16.764 5.963 -1.507 1.00 0.00 N ATOM 0 H GLN A 8 15.070 6.952 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 8 17.737 6.844 -5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.609 4.719 -5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.235 4.438 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.238 3.832 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.118 5.343 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.773 5.885 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.190 6.385 -0.777 1.00 0.00 H new ATOM 121 N THR A 9 17.124 6.581 -8.010 1.00 0.00 N ATOM 122 CA THR A 9 16.795 6.857 -9.403 1.00 0.00 C ATOM 123 C THR A 9 16.781 5.584 -10.253 1.00 0.00 C ATOM 124 O THR A 9 17.559 4.659 -10.023 1.00 0.00 O ATOM 125 CB THR A 9 17.793 7.878 -9.994 1.00 0.00 C ATOM 126 OG1 THR A 9 17.849 9.034 -9.142 1.00 0.00 O ATOM 127 CG2 THR A 9 17.391 8.306 -11.404 1.00 0.00 C ATOM 0 H THR A 9 18.112 6.390 -7.841 1.00 0.00 H new ATOM 0 HA THR A 9 15.789 7.277 -9.424 1.00 0.00 H new ATOM 0 HB THR A 9 18.771 7.401 -10.053 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.482 9.683 -9.513 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.116 9.024 -11.787 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.366 7.433 -12.056 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.404 8.767 -11.377 1.00 0.00 H new ATOM 135 N ARG A 10 15.845 5.548 -11.207 1.00 0.00 N ATOM 136 CA ARG A 10 15.714 4.464 -12.191 1.00 0.00 C ATOM 137 C ARG A 10 15.326 3.134 -11.526 1.00 0.00 C ATOM 138 O ARG A 10 15.248 2.099 -12.180 1.00 0.00 O ATOM 139 CB ARG A 10 17.025 4.340 -13.001 1.00 0.00 C ATOM 140 CG ARG A 10 16.908 3.565 -14.319 1.00 0.00 C ATOM 141 CD ARG A 10 17.335 2.106 -14.187 1.00 0.00 C ATOM 142 NE ARG A 10 18.714 1.979 -13.711 1.00 0.00 N ATOM 143 CZ ARG A 10 19.642 1.213 -14.285 1.00 0.00 C ATOM 144 NH1 ARG A 10 19.363 0.536 -15.393 1.00 0.00 N ATOM 145 NH2 ARG A 10 20.857 1.142 -13.756 1.00 0.00 N ATOM 0 H ARG A 10 15.145 6.282 -11.321 1.00 0.00 H new ATOM 0 HA ARG A 10 14.903 4.711 -12.876 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.395 5.342 -13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.774 3.853 -12.377 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.877 3.607 -14.669 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.522 4.051 -15.077 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.665 1.593 -13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.238 1.611 -15.153 1.00 0.00 H new ATOM 0 HE ARG A 10 18.983 2.513 -12.884 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.434 0.600 -15.810 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.077 -0.048 -15.827 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.078 1.672 -12.913 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.570 0.557 -14.192 1.00 0.00 H new ATOM 159 N VAL A 11 15.049 3.170 -10.227 1.00 0.00 N ATOM 160 CA VAL A 11 14.494 2.012 -9.527 1.00 0.00 C ATOM 161 C VAL A 11 13.046 2.289 -9.128 1.00 0.00 C ATOM 162 O VAL A 11 12.171 1.436 -9.265 1.00 0.00 O ATOM 163 CB VAL A 11 15.338 1.628 -8.282 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.455 2.800 -7.313 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.753 0.396 -7.589 1.00 0.00 C ATOM 0 H VAL A 11 15.199 3.987 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 11 14.523 1.163 -10.211 1.00 0.00 H new ATOM 0 HB VAL A 11 16.344 1.379 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.051 2.501 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.937 3.640 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.461 3.098 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.360 0.145 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.733 0.608 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.749 -0.444 -8.283 1.00 0.00 H new ATOM 175 N LYS A 12 12.800 3.507 -8.647 1.00 0.00 N ATOM 176 CA LYS A 12 11.461 3.920 -8.238 1.00 0.00 C ATOM 177 C LYS A 12 10.641 4.337 -9.458 1.00 0.00 C ATOM 178 O LYS A 12 9.413 4.297 -9.434 1.00 0.00 O ATOM 179 CB LYS A 12 11.541 5.083 -7.234 1.00 0.00 C ATOM 180 CG LYS A 12 12.448 4.812 -6.032 1.00 0.00 C ATOM 181 CD LYS A 12 12.015 3.575 -5.247 1.00 0.00 C ATOM 182 CE LYS A 12 12.914 3.323 -4.038 1.00 0.00 C ATOM 183 NZ LYS A 12 12.735 4.349 -2.973 1.00 0.00 N ATOM 0 H LYS A 12 13.514 4.226 -8.531 1.00 0.00 H new ATOM 0 HA LYS A 12 10.971 3.075 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.900 5.972 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.537 5.307 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.474 4.681 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.442 5.679 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.985 3.699 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.035 2.704 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.699 2.336 -3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.956 3.314 -4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.662 4.740 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.125 5.113 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.293 3.911 -2.140 1.00 0.00 H new ATOM 197 N LEU A 13 11.341 4.720 -10.527 1.00 0.00 N ATOM 198 CA LEU A 13 10.700 5.196 -11.754 1.00 0.00 C ATOM 199 C LEU A 13 9.884 4.083 -12.415 1.00 0.00 C ATOM 200 O LEU A 13 8.755 4.303 -12.851 1.00 0.00 O ATOM 201 CB LEU A 13 11.755 5.737 -12.729 1.00 0.00 C ATOM 202 CG LEU A 13 12.547 6.960 -12.229 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.581 7.398 -13.262 1.00 0.00 C ATOM 204 CD2 LEU A 13 11.604 8.113 -11.887 1.00 0.00 C ATOM 0 H LEU A 13 12.360 4.709 -10.567 1.00 0.00 H new ATOM 0 HA LEU A 13 10.017 6.004 -11.490 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.459 4.937 -12.957 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.260 6.002 -13.663 1.00 0.00 H new ATOM 0 HG LEU A 13 13.076 6.671 -11.321 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.127 8.263 -12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.278 6.581 -13.448 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.077 7.663 -14.191 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.185 8.966 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.041 8.398 -12.776 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.913 7.798 -11.105 1.00 0.00 H new ATOM 216 N ASN A 14 10.468 2.891 -12.485 1.00 0.00 N ATOM 217 CA ASN A 14 9.773 1.717 -13.016 1.00 0.00 C ATOM 218 C ASN A 14 8.475 1.488 -12.233 1.00 0.00 C ATOM 219 O ASN A 14 7.385 1.368 -12.813 1.00 0.00 O ATOM 220 CB ASN A 14 10.695 0.487 -12.930 1.00 0.00 C ATOM 221 CG ASN A 14 10.106 -0.772 -13.558 1.00 0.00 C ATOM 222 OD1 ASN A 14 8.895 -0.997 -13.537 1.00 0.00 O ATOM 223 ND2 ASN A 14 10.966 -1.606 -14.123 1.00 0.00 N ATOM 0 H ASN A 14 11.424 2.709 -12.180 1.00 0.00 H new ATOM 0 HA ASN A 14 9.517 1.882 -14.063 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.640 0.718 -13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.921 0.287 -11.883 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.632 -2.466 -14.559 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.963 -1.389 -14.122 1.00 0.00 H new ATOM 230 N TYR A 15 8.605 1.460 -10.910 1.00 0.00 N ATOM 231 CA TYR A 15 7.460 1.304 -10.022 1.00 0.00 C ATOM 232 C TYR A 15 6.461 2.441 -10.228 1.00 0.00 C ATOM 233 O TYR A 15 5.256 2.232 -10.143 1.00 0.00 O ATOM 234 CB TYR A 15 7.925 1.262 -8.561 1.00 0.00 C ATOM 235 CG TYR A 15 6.801 1.063 -7.558 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.242 -0.194 -7.355 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.302 2.129 -6.813 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.222 -0.385 -6.443 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.282 1.945 -5.898 1.00 0.00 C ATOM 240 CZ TYR A 15 4.747 0.686 -5.717 1.00 0.00 C ATOM 241 OH TYR A 15 3.733 0.500 -4.807 1.00 0.00 O ATOM 0 H TYR A 15 9.500 1.544 -10.427 1.00 0.00 H new ATOM 0 HA TYR A 15 6.964 0.363 -10.260 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.649 0.455 -8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.444 2.192 -8.329 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.612 -1.036 -7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.719 3.116 -6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.799 -1.368 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.906 2.782 -5.328 1.00 0.00 H new ATOM 0 HH TYR A 15 3.891 -0.327 -4.306 1.00 0.00 H new ATOM 251 N LEU A 16 6.979 3.638 -10.502 1.00 0.00 N ATOM 252 CA LEU A 16 6.145 4.815 -10.745 1.00 0.00 C ATOM 253 C LEU A 16 5.252 4.568 -11.962 1.00 0.00 C ATOM 254 O LEU A 16 4.033 4.739 -11.894 1.00 0.00 O ATOM 255 CB LEU A 16 7.040 6.056 -10.947 1.00 0.00 C ATOM 256 CG LEU A 16 6.352 7.439 -10.848 1.00 0.00 C ATOM 257 CD1 LEU A 16 7.400 8.544 -10.729 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.444 7.710 -12.048 1.00 0.00 C ATOM 0 H LEU A 16 7.981 3.819 -10.562 1.00 0.00 H new ATOM 0 HA LEU A 16 5.503 4.999 -9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.840 6.021 -10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.509 5.980 -11.928 1.00 0.00 H new ATOM 0 HG LEU A 16 5.729 7.431 -9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.903 9.511 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.001 8.381 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.045 8.530 -11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.980 8.691 -11.939 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.035 7.687 -12.964 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.669 6.946 -12.097 1.00 0.00 H new ATOM 270 N ASP A 17 5.866 4.151 -13.069 1.00 0.00 N ATOM 271 CA ASP A 17 5.125 3.826 -14.287 1.00 0.00 C ATOM 272 C ASP A 17 4.043 2.793 -13.992 1.00 0.00 C ATOM 273 O ASP A 17 2.900 2.944 -14.418 1.00 0.00 O ATOM 274 CB ASP A 17 6.066 3.302 -15.386 1.00 0.00 C ATOM 275 CG ASP A 17 6.786 4.418 -16.129 1.00 0.00 C ATOM 276 OD1 ASP A 17 7.839 4.887 -15.649 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.304 4.832 -17.206 1.00 0.00 O ATOM 0 H ASP A 17 6.876 4.030 -13.147 1.00 0.00 H new ATOM 0 HA ASP A 17 4.655 4.741 -14.646 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.803 2.635 -14.939 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.491 2.710 -16.098 1.00 0.00 H new ATOM 282 N GLN A 18 4.408 1.752 -13.245 1.00 0.00 N ATOM 283 CA GLN A 18 3.454 0.705 -12.872 1.00 0.00 C ATOM 284 C GLN A 18 2.296 1.288 -12.059 1.00 0.00 C ATOM 285 O GLN A 18 1.124 1.164 -12.436 1.00 0.00 O ATOM 286 CB GLN A 18 4.151 -0.393 -12.050 1.00 0.00 C ATOM 287 CG GLN A 18 3.204 -1.501 -11.581 1.00 0.00 C ATOM 288 CD GLN A 18 3.840 -2.468 -10.592 1.00 0.00 C ATOM 289 OE1 GLN A 18 3.494 -3.649 -10.551 1.00 0.00 O ATOM 290 NE2 GLN A 18 4.752 -1.971 -9.768 1.00 0.00 N ATOM 0 H GLN A 18 5.352 1.610 -12.887 1.00 0.00 H new ATOM 0 HA GLN A 18 3.060 0.272 -13.791 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.946 -0.836 -12.650 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.625 0.061 -11.180 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.327 -1.047 -11.120 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.854 -2.060 -12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.014 -0.987 -9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.192 -2.572 -9.071 1.00 0.00 H new ATOM 299 N ILE A 19 2.654 1.955 -10.961 1.00 0.00 N ATOM 300 CA ILE A 19 1.694 2.407 -9.956 1.00 0.00 C ATOM 301 C ILE A 19 0.807 3.530 -10.498 1.00 0.00 C ATOM 302 O ILE A 19 -0.276 3.791 -9.970 1.00 0.00 O ATOM 303 CB ILE A 19 2.427 2.888 -8.668 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.471 2.918 -7.466 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.065 4.261 -8.875 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.042 1.541 -7.003 1.00 0.00 C ATOM 0 H ILE A 19 3.621 2.197 -10.744 1.00 0.00 H new ATOM 0 HA ILE A 19 1.059 1.557 -9.707 1.00 0.00 H new ATOM 0 HB ILE A 19 3.221 2.172 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.956 3.437 -6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.586 3.496 -7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.569 4.570 -7.959 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.790 4.207 -9.687 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.292 4.987 -9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.368 1.637 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.529 1.027 -7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.920 0.966 -6.708 1.00 0.00 H new ATOM 318 N ALA A 20 1.273 4.199 -11.545 1.00 0.00 N ATOM 319 CA ALA A 20 0.500 5.257 -12.178 1.00 0.00 C ATOM 320 C ALA A 20 -0.380 4.693 -13.291 1.00 0.00 C ATOM 321 O ALA A 20 -1.589 4.905 -13.304 1.00 0.00 O ATOM 322 CB ALA A 20 1.427 6.341 -12.719 1.00 0.00 C ATOM 0 H ALA A 20 2.183 4.027 -11.973 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.151 5.704 -11.427 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.834 7.125 -13.190 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.007 6.766 -11.900 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.104 5.907 -13.455 1.00 0.00 H new ATOM 328 N LYS A 21 0.236 3.945 -14.200 1.00 0.00 N ATOM 329 CA LYS A 21 -0.438 3.460 -15.403 1.00 0.00 C ATOM 330 C LYS A 21 -1.559 2.469 -15.075 1.00 0.00 C ATOM 331 O LYS A 21 -2.680 2.619 -15.569 1.00 0.00 O ATOM 332 CB LYS A 21 0.584 2.813 -16.352 1.00 0.00 C ATOM 333 CG LYS A 21 0.020 2.369 -17.707 1.00 0.00 C ATOM 334 CD LYS A 21 0.140 3.442 -18.803 1.00 0.00 C ATOM 335 CE LYS A 21 -0.714 4.683 -18.536 1.00 0.00 C ATOM 336 NZ LYS A 21 -0.005 5.708 -17.722 1.00 0.00 N ATOM 0 H LYS A 21 1.212 3.658 -14.126 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.898 4.319 -15.893 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.394 3.521 -16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.020 1.946 -15.855 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.542 1.469 -18.032 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.030 2.102 -17.585 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.184 3.742 -18.895 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.152 3.008 -19.759 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.013 5.124 -19.487 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.628 4.386 -18.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.575 5.940 -16.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.918 5.335 -17.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.138 6.566 -18.292 1.00 0.00 H new ATOM 350 N PHE A 22 -1.262 1.468 -14.246 1.00 0.00 N ATOM 351 CA PHE A 22 -2.246 0.428 -13.926 1.00 0.00 C ATOM 352 C PHE A 22 -3.494 1.043 -13.291 1.00 0.00 C ATOM 353 O PHE A 22 -4.619 0.799 -13.735 1.00 0.00 O ATOM 354 CB PHE A 22 -1.639 -0.635 -12.991 1.00 0.00 C ATOM 355 CG PHE A 22 -2.648 -1.639 -12.471 1.00 0.00 C ATOM 356 CD1 PHE A 22 -3.043 -2.724 -13.242 1.00 0.00 C ATOM 357 CD2 PHE A 22 -3.208 -1.486 -11.210 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.973 -3.630 -12.762 1.00 0.00 C ATOM 359 CE2 PHE A 22 -4.133 -2.386 -10.725 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.518 -3.461 -11.502 1.00 0.00 C ATOM 0 H PHE A 22 -0.358 1.353 -13.787 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.534 -0.060 -14.857 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.852 -1.168 -13.524 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.168 -0.135 -12.145 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.620 -2.863 -14.226 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.914 -0.647 -10.598 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.273 -4.469 -13.372 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.555 -2.251 -9.740 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.243 -4.168 -11.127 1.00 0.00 H new ATOM 370 N TRP A 23 -3.278 1.845 -12.257 1.00 0.00 N ATOM 371 CA TRP A 23 -4.369 2.487 -11.531 1.00 0.00 C ATOM 372 C TRP A 23 -5.097 3.501 -12.412 1.00 0.00 C ATOM 373 O TRP A 23 -6.316 3.668 -12.306 1.00 0.00 O ATOM 374 CB TRP A 23 -3.821 3.164 -10.269 1.00 0.00 C ATOM 375 CG TRP A 23 -4.857 3.857 -9.435 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.748 5.094 -8.886 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.147 3.358 -9.048 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.888 5.410 -8.193 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.762 4.358 -8.273 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.842 2.170 -9.285 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.037 4.202 -7.733 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.105 2.017 -8.752 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.693 3.028 -7.982 1.00 0.00 C ATOM 0 H TRP A 23 -2.350 2.069 -11.899 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.091 1.723 -11.243 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.323 2.413 -9.656 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.063 3.891 -10.562 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.886 5.737 -8.982 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.058 6.286 -7.698 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.397 1.383 -9.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.491 4.981 -7.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.650 1.102 -8.932 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.683 2.878 -7.577 1.00 0.00 H new ATOM 394 N GLU A 24 -4.354 4.161 -13.294 1.00 0.00 N ATOM 395 CA GLU A 24 -4.932 5.156 -14.185 1.00 0.00 C ATOM 396 C GLU A 24 -5.951 4.494 -15.118 1.00 0.00 C ATOM 397 O GLU A 24 -7.114 4.895 -15.178 1.00 0.00 O ATOM 398 CB GLU A 24 -3.821 5.844 -14.992 1.00 0.00 C ATOM 399 CG GLU A 24 -4.298 6.984 -15.882 1.00 0.00 C ATOM 400 CD GLU A 24 -3.147 7.682 -16.587 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.750 7.234 -17.683 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.629 8.686 -16.049 1.00 0.00 O ATOM 0 H GLU A 24 -3.350 4.024 -13.410 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.448 5.912 -13.594 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.073 6.230 -14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.326 5.098 -15.614 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.995 6.596 -16.625 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.846 7.709 -15.279 1.00 0.00 H new ATOM 409 N ILE A 25 -5.512 3.445 -15.810 1.00 0.00 N ATOM 410 CA ILE A 25 -6.361 2.727 -16.762 1.00 0.00 C ATOM 411 C ILE A 25 -7.420 1.893 -16.033 1.00 0.00 C ATOM 412 O ILE A 25 -8.428 1.486 -16.625 1.00 0.00 O ATOM 413 CB ILE A 25 -5.495 1.845 -17.719 1.00 0.00 C ATOM 414 CG1 ILE A 25 -4.915 2.701 -18.863 1.00 0.00 C ATOM 415 CG2 ILE A 25 -6.284 0.665 -18.293 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.096 3.890 -18.402 1.00 0.00 C ATOM 0 H ILE A 25 -4.567 3.070 -15.729 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.887 3.461 -17.372 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.679 1.434 -17.125 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.291 2.068 -19.494 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.736 3.060 -19.484 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.640 0.082 -18.951 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.637 0.033 -17.478 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.138 1.039 -18.858 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.727 4.436 -19.270 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.719 4.549 -17.797 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.252 3.542 -17.807 1.00 0.00 H new ATOM 428 N GLN A 26 -7.216 1.679 -14.734 1.00 0.00 N ATOM 429 CA GLN A 26 -8.192 0.966 -13.910 1.00 0.00 C ATOM 430 C GLN A 26 -9.507 1.753 -13.853 1.00 0.00 C ATOM 431 O GLN A 26 -10.541 1.236 -13.429 1.00 0.00 O ATOM 432 CB GLN A 26 -7.635 0.737 -12.494 1.00 0.00 C ATOM 433 CG GLN A 26 -8.460 -0.232 -11.646 1.00 0.00 C ATOM 434 CD GLN A 26 -8.512 -1.643 -12.218 1.00 0.00 C ATOM 435 OE1 GLN A 26 -7.448 -2.056 -12.897 1.00 0.00 O flip ATOM 436 NE2 GLN A 26 -9.499 -2.361 -12.041 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.385 1.988 -14.230 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.388 -0.007 -14.360 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.617 0.357 -12.573 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.578 1.696 -11.978 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.041 -0.271 -10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.476 0.152 -11.553 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.298 -2.009 -11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.516 -3.307 -12.422 1.00 0.00 H new ATOM 445 N GLY A 27 -9.452 3.009 -14.299 1.00 0.00 N ATOM 446 CA GLY A 27 -10.635 3.851 -14.350 1.00 0.00 C ATOM 447 C GLY A 27 -10.575 4.973 -13.339 1.00 0.00 C ATOM 448 O GLY A 27 -11.612 5.498 -12.915 1.00 0.00 O ATOM 0 H GLY A 27 -8.599 3.460 -14.629 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.739 4.270 -15.351 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.521 3.243 -14.165 1.00 0.00 H new ATOM 452 N SER A 28 -9.361 5.342 -12.949 1.00 0.00 N ATOM 453 CA SER A 28 -9.158 6.369 -11.935 1.00 0.00 C ATOM 454 C SER A 28 -7.851 7.121 -12.188 1.00 0.00 C ATOM 455 O SER A 28 -7.234 6.970 -13.243 1.00 0.00 O ATOM 456 CB SER A 28 -9.162 5.732 -10.539 1.00 0.00 C ATOM 457 OG SER A 28 -9.134 6.720 -9.519 1.00 0.00 O ATOM 0 H SER A 28 -8.499 4.943 -13.321 1.00 0.00 H new ATOM 0 HA SER A 28 -9.975 7.089 -11.991 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.051 5.112 -10.423 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.299 5.075 -10.435 1.00 0.00 H new ATOM 0 HG SER A 28 -8.814 6.319 -8.684 1.00 0.00 H new ATOM 463 N SER A 29 -7.456 7.948 -11.227 1.00 0.00 N ATOM 464 CA SER A 29 -6.200 8.685 -11.294 1.00 0.00 C ATOM 465 C SER A 29 -5.400 8.439 -10.014 1.00 0.00 C ATOM 466 O SER A 29 -5.979 8.294 -8.932 1.00 0.00 O ATOM 467 CB SER A 29 -6.474 10.184 -11.487 1.00 0.00 C ATOM 468 OG SER A 29 -5.267 10.919 -11.614 1.00 0.00 O ATOM 0 H SER A 29 -7.997 8.126 -10.381 1.00 0.00 H new ATOM 0 HA SER A 29 -5.618 8.336 -12.147 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.087 10.332 -12.376 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.045 10.563 -10.639 1.00 0.00 H new ATOM 0 HG SER A 29 -5.474 11.869 -11.737 1.00 0.00 H new ATOM 474 N LEU A 30 -4.076 8.379 -10.139 1.00 0.00 N ATOM 475 CA LEU A 30 -3.213 8.082 -9.002 1.00 0.00 C ATOM 476 C LEU A 30 -3.179 9.248 -8.022 1.00 0.00 C ATOM 477 O LEU A 30 -2.885 10.385 -8.400 1.00 0.00 O ATOM 478 CB LEU A 30 -1.792 7.740 -9.469 1.00 0.00 C ATOM 479 CG LEU A 30 -0.813 7.348 -8.348 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.324 6.130 -7.576 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.573 7.080 -8.920 1.00 0.00 C ATOM 0 H LEU A 30 -3.579 8.532 -11.017 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.628 7.214 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.849 6.919 -10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.385 8.599 -10.002 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.743 8.183 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.614 5.874 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.291 6.361 -7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.431 5.286 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.252 6.804 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.517 6.265 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.943 7.978 -9.414 1.00 0.00 H new ATOM 493 N LYS A 31 -3.488 8.955 -6.765 1.00 0.00 N ATOM 494 CA LYS A 31 -3.475 9.953 -5.705 1.00 0.00 C ATOM 495 C LYS A 31 -2.972 9.328 -4.408 1.00 0.00 C ATOM 496 O LYS A 31 -3.697 8.581 -3.747 1.00 0.00 O ATOM 497 CB LYS A 31 -4.882 10.535 -5.501 1.00 0.00 C ATOM 498 CG LYS A 31 -4.957 11.592 -4.401 1.00 0.00 C ATOM 499 CD LYS A 31 -6.394 12.024 -4.129 1.00 0.00 C ATOM 500 CE LYS A 31 -6.477 13.038 -2.995 1.00 0.00 C ATOM 501 NZ LYS A 31 -7.883 13.360 -2.643 1.00 0.00 N ATOM 0 H LYS A 31 -3.754 8.021 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.803 10.762 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.223 10.974 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.569 9.724 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.517 11.196 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.365 12.460 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.821 12.456 -5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.995 11.150 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.964 12.644 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.957 13.951 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.897 14.053 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.366 13.759 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.373 12.493 -2.341 1.00 0.00 H new ATOM 515 N ILE A 32 -1.720 9.608 -4.069 1.00 0.00 N ATOM 516 CA ILE A 32 -1.128 9.134 -2.822 1.00 0.00 C ATOM 517 C ILE A 32 -0.747 10.328 -1.944 1.00 0.00 C ATOM 518 O ILE A 32 -0.033 11.230 -2.386 1.00 0.00 O ATOM 519 CB ILE A 32 0.107 8.226 -3.073 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.136 8.927 -3.979 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.330 6.893 -3.683 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.348 8.077 -4.306 1.00 0.00 C ATOM 0 H ILE A 32 -1.089 10.166 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.872 8.527 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 32 0.586 8.030 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.648 9.218 -4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.468 9.844 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.546 6.267 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.011 6.386 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.836 7.075 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.025 8.641 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.862 7.807 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.029 7.172 -4.822 1.00 0.00 H new ATOM 534 N PRO A 33 -1.248 10.363 -0.698 1.00 0.00 N ATOM 535 CA PRO A 33 -1.055 11.499 0.201 1.00 0.00 C ATOM 536 C PRO A 33 0.249 11.423 0.995 1.00 0.00 C ATOM 537 O PRO A 33 1.089 10.545 0.776 1.00 0.00 O ATOM 538 CB PRO A 33 -2.262 11.379 1.133 1.00 0.00 C ATOM 539 CG PRO A 33 -2.482 9.907 1.259 1.00 0.00 C ATOM 540 CD PRO A 33 -2.050 9.297 -0.059 1.00 0.00 C ATOM 0 HA PRO A 33 -0.984 12.445 -0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.064 11.837 2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.137 11.878 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.902 9.497 2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.530 9.687 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.462 8.392 0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.908 9.021 -0.672 1.00 0.00 H new ATOM 548 N ASN A 34 0.404 12.361 1.918 1.00 0.00 N ATOM 549 CA ASN A 34 1.562 12.416 2.800 1.00 0.00 C ATOM 550 C ASN A 34 1.127 12.798 4.200 1.00 0.00 C ATOM 551 O ASN A 34 0.176 13.562 4.378 1.00 0.00 O ATOM 552 CB ASN A 34 2.614 13.402 2.263 1.00 0.00 C ATOM 553 CG ASN A 34 2.026 14.754 1.893 1.00 0.00 C ATOM 554 OD1 ASN A 34 1.982 15.675 2.709 1.00 0.00 O ATOM 555 ND2 ASN A 34 1.573 14.886 0.653 1.00 0.00 N ATOM 0 H ASN A 34 -0.272 13.108 2.077 1.00 0.00 H new ATOM 0 HA ASN A 34 2.022 11.428 2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.390 13.543 3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.096 12.969 1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.172 15.773 0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.626 14.101 0.004 1.00 0.00 H new ATOM 562 N VAL A 35 1.811 12.245 5.186 1.00 0.00 N ATOM 563 CA VAL A 35 1.489 12.487 6.580 1.00 0.00 C ATOM 564 C VAL A 35 2.777 12.697 7.378 1.00 0.00 C ATOM 565 O VAL A 35 3.797 12.070 7.085 1.00 0.00 O ATOM 566 CB VAL A 35 0.667 11.313 7.188 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.489 10.025 7.218 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.149 11.669 8.582 1.00 0.00 C ATOM 0 H VAL A 35 2.603 11.618 5.043 1.00 0.00 H new ATOM 0 HA VAL A 35 0.874 13.386 6.636 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.197 11.142 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.891 9.221 7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.782 9.757 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.381 10.177 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.422 10.831 8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.992 11.882 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.493 12.548 8.518 1.00 0.00 H new ATOM 578 N GLU A 36 2.736 13.602 8.358 1.00 0.00 N ATOM 579 CA GLU A 36 3.894 13.893 9.209 1.00 0.00 C ATOM 580 C GLU A 36 5.050 14.480 8.392 1.00 0.00 C ATOM 581 O GLU A 36 6.203 14.455 8.826 1.00 0.00 O ATOM 582 CB GLU A 36 4.353 12.635 9.958 1.00 0.00 C ATOM 583 CG GLU A 36 3.252 11.968 10.780 1.00 0.00 C ATOM 584 CD GLU A 36 2.485 12.952 11.647 1.00 0.00 C ATOM 585 OE1 GLU A 36 3.048 13.443 12.647 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.314 13.242 11.337 1.00 0.00 O ATOM 0 H GLU A 36 1.906 14.151 8.584 1.00 0.00 H new ATOM 0 HA GLU A 36 3.585 14.638 9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.741 11.916 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.178 12.899 10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.557 11.465 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.694 11.200 11.414 1.00 0.00 H new ATOM 593 N ARG A 37 4.704 15.021 7.222 1.00 0.00 N ATOM 594 CA ARG A 37 5.667 15.593 6.267 1.00 0.00 C ATOM 595 C ARG A 37 6.428 14.492 5.525 1.00 0.00 C ATOM 596 O ARG A 37 7.433 14.754 4.857 1.00 0.00 O ATOM 597 CB ARG A 37 6.651 16.572 6.942 1.00 0.00 C ATOM 598 CG ARG A 37 6.054 17.940 7.283 1.00 0.00 C ATOM 599 CD ARG A 37 4.966 17.856 8.348 1.00 0.00 C ATOM 600 NE ARG A 37 4.477 19.182 8.739 1.00 0.00 N ATOM 601 CZ ARG A 37 4.500 19.651 9.988 1.00 0.00 C ATOM 602 NH1 ARG A 37 5.012 18.917 10.971 1.00 0.00 N ATOM 603 NH2 ARG A 37 4.022 20.862 10.246 1.00 0.00 N ATOM 0 H ARG A 37 3.737 15.077 6.903 1.00 0.00 H new ATOM 0 HA ARG A 37 5.087 16.164 5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.027 16.115 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.507 16.718 6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.847 18.602 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.639 18.387 6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.135 17.260 7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.356 17.340 9.225 1.00 0.00 H new ATOM 0 HE ARG A 37 4.095 19.784 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.390 17.991 10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.027 19.280 11.924 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.639 21.431 9.491 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.038 21.224 11.199 1.00 0.00 H new ATOM 617 N ARG A 38 5.926 13.265 5.623 1.00 0.00 N ATOM 618 CA ARG A 38 6.493 12.128 4.904 1.00 0.00 C ATOM 619 C ARG A 38 5.471 11.592 3.909 1.00 0.00 C ATOM 620 O ARG A 38 4.294 11.452 4.240 1.00 0.00 O ATOM 621 CB ARG A 38 6.910 11.014 5.883 1.00 0.00 C ATOM 622 CG ARG A 38 7.418 9.748 5.192 1.00 0.00 C ATOM 623 CD ARG A 38 8.672 10.016 4.369 1.00 0.00 C ATOM 624 NE ARG A 38 8.991 8.905 3.473 1.00 0.00 N ATOM 625 CZ ARG A 38 10.218 8.622 3.040 1.00 0.00 C ATOM 626 NH1 ARG A 38 11.265 9.301 3.490 1.00 0.00 N ATOM 627 NH2 ARG A 38 10.401 7.648 2.165 1.00 0.00 N ATOM 0 H ARG A 38 5.118 13.031 6.200 1.00 0.00 H new ATOM 0 HA ARG A 38 7.382 12.462 4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.690 11.395 6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.058 10.757 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.631 8.986 5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.637 9.349 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.533 10.925 3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.513 10.194 5.039 1.00 0.00 H new ATOM 0 HE ARG A 38 8.225 8.309 3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.134 10.047 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.201 9.077 3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.603 7.114 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.341 7.431 1.833 1.00 0.00 H new ATOM 641 N ILE A 39 5.919 11.311 2.690 1.00 0.00 N ATOM 642 CA ILE A 39 5.050 10.728 1.674 1.00 0.00 C ATOM 643 C ILE A 39 4.619 9.325 2.093 1.00 0.00 C ATOM 644 O ILE A 39 5.379 8.600 2.744 1.00 0.00 O ATOM 645 CB ILE A 39 5.753 10.660 0.291 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.799 10.088 -0.779 1.00 0.00 C ATOM 647 CG2 ILE A 39 7.034 9.825 0.375 1.00 0.00 C ATOM 648 CD1 ILE A 39 5.411 9.975 -2.163 1.00 0.00 C ATOM 0 H ILE A 39 6.877 11.477 2.382 1.00 0.00 H new ATOM 0 HA ILE A 39 4.175 11.371 1.582 1.00 0.00 H new ATOM 0 HB ILE A 39 6.025 11.674 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.464 9.101 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.914 10.722 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.511 9.790 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.716 10.277 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.788 8.812 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.675 9.565 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.720 10.962 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.279 9.317 -2.124 1.00 0.00 H new ATOM 660 N LEU A 40 3.394 8.955 1.746 1.00 0.00 N ATOM 661 CA LEU A 40 2.910 7.612 2.008 1.00 0.00 C ATOM 662 C LEU A 40 3.602 6.648 1.045 1.00 0.00 C ATOM 663 O LEU A 40 3.202 6.518 -0.116 1.00 0.00 O ATOM 664 CB LEU A 40 1.380 7.550 1.853 1.00 0.00 C ATOM 665 CG LEU A 40 0.713 6.258 2.354 1.00 0.00 C ATOM 666 CD1 LEU A 40 0.984 6.054 3.845 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.792 6.284 2.075 1.00 0.00 C ATOM 0 H LEU A 40 2.721 9.566 1.284 1.00 0.00 H new ATOM 0 HA LEU A 40 3.144 7.326 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.944 8.394 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.134 7.680 0.799 1.00 0.00 H new ATOM 0 HG LEU A 40 1.145 5.417 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.504 5.135 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.059 5.984 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.583 6.898 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.245 5.361 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.242 7.134 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.962 6.375 1.002 1.00 0.00 H new ATOM 679 N ASP A 41 4.661 5.999 1.525 1.00 0.00 N ATOM 680 CA ASP A 41 5.487 5.143 0.677 1.00 0.00 C ATOM 681 C ASP A 41 4.731 3.881 0.294 1.00 0.00 C ATOM 682 O ASP A 41 4.788 2.866 0.994 1.00 0.00 O ATOM 683 CB ASP A 41 6.799 4.762 1.379 1.00 0.00 C ATOM 684 CG ASP A 41 7.709 5.950 1.648 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.381 6.415 0.706 1.00 0.00 O ATOM 686 OD2 ASP A 41 7.786 6.399 2.811 1.00 0.00 O ATOM 0 H ASP A 41 4.967 6.050 2.497 1.00 0.00 H new ATOM 0 HA ASP A 41 5.726 5.708 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.567 4.271 2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.333 4.037 0.765 1.00 0.00 H new ATOM 691 N LEU A 42 4.010 3.958 -0.820 1.00 0.00 N ATOM 692 CA LEU A 42 3.228 2.835 -1.320 1.00 0.00 C ATOM 693 C LEU A 42 4.159 1.657 -1.624 1.00 0.00 C ATOM 694 O LEU A 42 3.815 0.502 -1.381 1.00 0.00 O ATOM 695 CB LEU A 42 2.445 3.270 -2.578 1.00 0.00 C ATOM 696 CG LEU A 42 1.094 2.561 -2.821 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.339 3.227 -3.970 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.280 1.072 -3.101 1.00 0.00 C ATOM 0 H LEU A 42 3.952 4.796 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 42 2.510 2.515 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.262 4.343 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.079 3.107 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 42 0.505 2.655 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.610 2.715 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.151 4.272 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.937 3.170 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.307 0.609 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.899 0.943 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.766 0.599 -2.248 1.00 0.00 H new ATOM 710 N TYR A 43 5.355 1.974 -2.123 1.00 0.00 N ATOM 711 CA TYR A 43 6.358 0.962 -2.462 1.00 0.00 C ATOM 712 C TYR A 43 6.758 0.181 -1.207 1.00 0.00 C ATOM 713 O TYR A 43 6.657 -1.053 -1.160 1.00 0.00 O ATOM 714 CB TYR A 43 7.592 1.644 -3.083 1.00 0.00 C ATOM 715 CG TYR A 43 8.420 0.765 -4.013 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.335 -0.626 -3.983 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.285 1.343 -4.936 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.087 -1.406 -4.844 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.040 0.569 -5.796 1.00 0.00 C ATOM 720 CZ TYR A 43 9.937 -0.804 -5.748 1.00 0.00 C ATOM 721 OH TYR A 43 10.683 -1.577 -6.612 1.00 0.00 O ATOM 0 H TYR A 43 5.655 2.932 -2.303 1.00 0.00 H new ATOM 0 HA TYR A 43 5.936 0.265 -3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.261 2.522 -3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.235 1.999 -2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.672 -1.103 -3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.368 2.419 -4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.009 -2.483 -4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.708 1.038 -6.503 1.00 0.00 H new ATOM 0 HH TYR A 43 11.228 -0.996 -7.183 1.00 0.00 H new ATOM 731 N SER A 44 7.202 0.918 -0.190 1.00 0.00 N ATOM 732 CA SER A 44 7.595 0.326 1.080 1.00 0.00 C ATOM 733 C SER A 44 6.423 -0.444 1.683 1.00 0.00 C ATOM 734 O SER A 44 6.590 -1.539 2.216 1.00 0.00 O ATOM 735 CB SER A 44 8.072 1.419 2.043 1.00 0.00 C ATOM 736 OG SER A 44 9.083 2.216 1.444 1.00 0.00 O ATOM 0 H SER A 44 7.298 1.933 -0.226 1.00 0.00 H new ATOM 0 HA SER A 44 8.417 -0.370 0.910 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.230 2.048 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.456 0.963 2.956 1.00 0.00 H new ATOM 0 HG SER A 44 9.371 2.908 2.075 1.00 0.00 H new ATOM 742 N LEU A 45 5.233 0.126 1.563 1.00 0.00 N ATOM 743 CA LEU A 45 4.023 -0.498 2.075 1.00 0.00 C ATOM 744 C LEU A 45 3.769 -1.819 1.343 1.00 0.00 C ATOM 745 O LEU A 45 3.400 -2.816 1.962 1.00 0.00 O ATOM 746 CB LEU A 45 2.834 0.476 1.927 1.00 0.00 C ATOM 747 CG LEU A 45 1.524 0.086 2.646 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.728 -0.941 1.846 1.00 0.00 C ATOM 749 CD2 LEU A 45 1.818 -0.439 4.052 1.00 0.00 C ATOM 0 H LEU A 45 5.080 1.028 1.111 1.00 0.00 H new ATOM 0 HA LEU A 45 4.142 -0.724 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.147 1.453 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.618 0.590 0.865 1.00 0.00 H new ATOM 0 HG LEU A 45 0.913 0.985 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.187 -1.191 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.474 -0.525 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.327 -1.841 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.883 -0.709 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.459 -1.318 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.322 0.335 4.631 1.00 0.00 H new ATOM 761 N SER A 46 4.003 -1.825 0.030 1.00 0.00 N ATOM 762 CA SER A 46 3.816 -3.026 -0.782 1.00 0.00 C ATOM 763 C SER A 46 4.723 -4.152 -0.282 1.00 0.00 C ATOM 764 O SER A 46 4.255 -5.253 0.037 1.00 0.00 O ATOM 765 CB SER A 46 4.118 -2.727 -2.260 1.00 0.00 C ATOM 766 OG SER A 46 3.321 -1.660 -2.751 1.00 0.00 O ATOM 0 H SER A 46 4.323 -1.010 -0.493 1.00 0.00 H new ATOM 0 HA SER A 46 2.777 -3.343 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.173 -2.476 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.938 -3.621 -2.857 1.00 0.00 H new ATOM 0 HG SER A 46 3.648 -0.812 -2.384 1.00 0.00 H new ATOM 772 N LYS A 47 6.024 -3.857 -0.181 1.00 0.00 N ATOM 773 CA LYS A 47 6.999 -4.864 0.235 1.00 0.00 C ATOM 774 C LYS A 47 6.706 -5.340 1.658 1.00 0.00 C ATOM 775 O LYS A 47 6.901 -6.513 1.974 1.00 0.00 O ATOM 776 CB LYS A 47 8.441 -4.332 0.122 1.00 0.00 C ATOM 777 CG LYS A 47 8.717 -3.081 0.947 1.00 0.00 C ATOM 778 CD LYS A 47 10.162 -2.583 0.812 1.00 0.00 C ATOM 779 CE LYS A 47 11.147 -3.389 1.660 1.00 0.00 C ATOM 780 NZ LYS A 47 11.263 -4.806 1.224 1.00 0.00 N ATOM 0 H LYS A 47 6.420 -2.938 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 47 6.908 -5.715 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.130 -5.117 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.655 -4.117 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.035 -2.290 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.507 -3.290 1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.463 -2.635 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.209 -1.534 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.129 -2.918 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.829 -3.360 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.202 -5.172 1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.530 -5.375 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.138 -4.863 0.193 1.00 0.00 H new ATOM 794 N ILE A 48 6.217 -4.429 2.504 1.00 0.00 N ATOM 795 CA ILE A 48 5.850 -4.775 3.878 1.00 0.00 C ATOM 796 C ILE A 48 4.677 -5.755 3.901 1.00 0.00 C ATOM 797 O ILE A 48 4.757 -6.807 4.528 1.00 0.00 O ATOM 798 CB ILE A 48 5.486 -3.518 4.712 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.733 -2.654 4.957 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.836 -3.911 6.041 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.446 -1.368 5.702 1.00 0.00 C ATOM 0 H ILE A 48 6.067 -3.450 2.262 1.00 0.00 H new ATOM 0 HA ILE A 48 6.724 -5.247 4.327 1.00 0.00 H new ATOM 0 HB ILE A 48 4.764 -2.932 4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.462 -3.236 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.191 -2.413 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.591 -3.012 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.925 -4.477 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.529 -4.524 6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.373 -0.811 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.742 -0.765 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.016 -1.600 6.676 1.00 0.00 H new ATOM 813 N VAL A 49 3.596 -5.409 3.205 1.00 0.00 N ATOM 814 CA VAL A 49 2.399 -6.252 3.172 1.00 0.00 C ATOM 815 C VAL A 49 2.741 -7.664 2.693 1.00 0.00 C ATOM 816 O VAL A 49 2.338 -8.652 3.312 1.00 0.00 O ATOM 817 CB VAL A 49 1.299 -5.647 2.263 1.00 0.00 C ATOM 818 CG1 VAL A 49 0.131 -6.618 2.086 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.807 -4.319 2.831 1.00 0.00 C ATOM 0 H VAL A 49 3.523 -4.552 2.656 1.00 0.00 H new ATOM 0 HA VAL A 49 2.014 -6.302 4.191 1.00 0.00 H new ATOM 0 HB VAL A 49 1.737 -5.467 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.624 -6.165 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.490 -7.540 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.307 -6.842 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.035 -3.909 2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.394 -4.480 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.640 -3.619 2.892 1.00 0.00 H new ATOM 829 N VAL A 50 3.497 -7.751 1.599 1.00 0.00 N ATOM 830 CA VAL A 50 3.930 -9.044 1.067 1.00 0.00 C ATOM 831 C VAL A 50 4.824 -9.765 2.080 1.00 0.00 C ATOM 832 O VAL A 50 4.736 -10.981 2.256 1.00 0.00 O ATOM 833 CB VAL A 50 4.691 -8.882 -0.276 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.151 -10.237 -0.817 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.818 -8.157 -1.302 1.00 0.00 C ATOM 0 H VAL A 50 3.822 -6.945 1.065 1.00 0.00 H new ATOM 0 HA VAL A 50 3.035 -9.638 0.883 1.00 0.00 H new ATOM 0 HB VAL A 50 5.580 -8.279 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.681 -10.092 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.817 -10.710 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.284 -10.876 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.367 -8.052 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.909 -8.732 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.555 -7.169 -0.923 1.00 0.00 H new ATOM 845 N GLU A 51 5.667 -8.990 2.757 1.00 0.00 N ATOM 846 CA GLU A 51 6.590 -9.518 3.759 1.00 0.00 C ATOM 847 C GLU A 51 5.825 -10.002 4.999 1.00 0.00 C ATOM 848 O GLU A 51 6.267 -10.915 5.703 1.00 0.00 O ATOM 849 CB GLU A 51 7.599 -8.418 4.127 1.00 0.00 C ATOM 850 CG GLU A 51 8.745 -8.853 5.032 1.00 0.00 C ATOM 851 CD GLU A 51 9.832 -7.790 5.115 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.708 -6.855 5.932 1.00 0.00 O ATOM 853 OE2 GLU A 51 10.812 -7.873 4.342 1.00 0.00 O ATOM 0 H GLU A 51 5.730 -7.980 2.627 1.00 0.00 H new ATOM 0 HA GLU A 51 7.124 -10.377 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.020 -8.013 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.062 -7.606 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.361 -9.060 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.173 -9.782 4.656 1.00 0.00 H new ATOM 860 N GLU A 52 4.669 -9.385 5.244 1.00 0.00 N ATOM 861 CA GLU A 52 3.824 -9.725 6.388 1.00 0.00 C ATOM 862 C GLU A 52 2.822 -10.830 6.035 1.00 0.00 C ATOM 863 O GLU A 52 2.311 -11.519 6.924 1.00 0.00 O ATOM 864 CB GLU A 52 3.111 -8.466 6.905 1.00 0.00 C ATOM 865 CG GLU A 52 4.041 -7.499 7.643 1.00 0.00 C ATOM 866 CD GLU A 52 4.640 -8.083 8.924 1.00 0.00 C ATOM 867 OE1 GLU A 52 5.507 -8.983 8.838 1.00 0.00 O ATOM 868 OE2 GLU A 52 4.251 -7.644 10.028 1.00 0.00 O ATOM 0 H GLU A 52 4.294 -8.639 4.658 1.00 0.00 H new ATOM 0 HA GLU A 52 4.459 -10.115 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.652 -7.946 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.304 -8.764 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.850 -7.205 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.487 -6.593 7.891 1.00 0.00 H new ATOM 875 N GLY A 53 2.545 -10.995 4.742 1.00 0.00 N ATOM 876 CA GLY A 53 1.796 -12.156 4.275 1.00 0.00 C ATOM 877 C GLY A 53 0.396 -11.858 3.753 1.00 0.00 C ATOM 878 O GLY A 53 -0.235 -12.745 3.172 1.00 0.00 O ATOM 0 H GLY A 53 2.826 -10.345 4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.366 -12.641 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.716 -12.871 5.094 1.00 0.00 H new ATOM 882 N GLY A 54 -0.118 -10.645 3.959 1.00 0.00 N ATOM 883 CA GLY A 54 -1.429 -10.312 3.410 1.00 0.00 C ATOM 884 C GLY A 54 -2.009 -9.023 3.959 1.00 0.00 C ATOM 885 O GLY A 54 -1.898 -8.751 5.157 1.00 0.00 O ATOM 0 H GLY A 54 0.337 -9.899 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.350 -10.232 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.119 -11.129 3.619 1.00 0.00 H new ATOM 889 N TYR A 55 -2.645 -8.241 3.084 1.00 0.00 N ATOM 890 CA TYR A 55 -3.321 -7.004 3.480 1.00 0.00 C ATOM 891 C TYR A 55 -4.343 -7.268 4.583 1.00 0.00 C ATOM 892 O TYR A 55 -4.280 -6.670 5.661 1.00 0.00 O ATOM 893 CB TYR A 55 -4.017 -6.370 2.262 1.00 0.00 C ATOM 894 CG TYR A 55 -4.960 -5.223 2.597 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.475 -3.997 3.031 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.341 -5.371 2.478 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.332 -2.954 3.335 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.202 -4.333 2.780 1.00 0.00 C ATOM 899 CZ TYR A 55 -6.693 -3.126 3.207 1.00 0.00 C ATOM 900 OH TYR A 55 -7.548 -2.088 3.508 1.00 0.00 O ATOM 0 H TYR A 55 -2.706 -8.446 2.087 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.570 -6.315 3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.255 -6.007 1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.578 -7.143 1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.409 -3.855 3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.746 -6.315 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.935 -2.008 3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.269 -4.467 2.682 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.474 -2.375 3.364 1.00 0.00 H new ATOM 910 N GLU A 56 -5.277 -8.170 4.304 1.00 0.00 N ATOM 911 CA GLU A 56 -6.358 -8.476 5.234 1.00 0.00 C ATOM 912 C GLU A 56 -5.806 -8.952 6.565 1.00 0.00 C ATOM 913 O GLU A 56 -6.322 -8.591 7.615 1.00 0.00 O ATOM 914 CB GLU A 56 -7.316 -9.531 4.661 1.00 0.00 C ATOM 915 CG GLU A 56 -8.108 -9.061 3.444 1.00 0.00 C ATOM 916 CD GLU A 56 -7.264 -8.929 2.183 1.00 0.00 C ATOM 917 OE1 GLU A 56 -6.194 -9.569 2.106 1.00 0.00 O ATOM 918 OE2 GLU A 56 -7.668 -8.184 1.274 1.00 0.00 O ATOM 0 H GLU A 56 -5.307 -8.705 3.436 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.919 -7.554 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.742 -10.416 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.015 -9.833 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.920 -9.763 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.565 -8.097 3.668 1.00 0.00 H new ATOM 925 N ALA A 57 -4.742 -9.744 6.525 1.00 0.00 N ATOM 926 CA ALA A 57 -4.123 -10.247 7.747 1.00 0.00 C ATOM 927 C ALA A 57 -3.668 -9.082 8.622 1.00 0.00 C ATOM 928 O ALA A 57 -3.963 -9.030 9.819 1.00 0.00 O ATOM 929 CB ALA A 57 -2.952 -11.167 7.416 1.00 0.00 C ATOM 0 H ALA A 57 -4.290 -10.052 5.664 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.861 -10.828 8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.503 -11.532 8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.308 -12.012 6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.206 -10.615 6.844 1.00 0.00 H new ATOM 935 N ILE A 58 -2.978 -8.130 8.001 1.00 0.00 N ATOM 936 CA ILE A 58 -2.497 -6.944 8.700 1.00 0.00 C ATOM 937 C ILE A 58 -3.677 -6.083 9.153 1.00 0.00 C ATOM 938 O ILE A 58 -3.607 -5.399 10.172 1.00 0.00 O ATOM 939 CB ILE A 58 -1.568 -6.098 7.798 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.458 -6.970 7.194 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.958 -4.936 8.577 1.00 0.00 C ATOM 942 CD1 ILE A 58 0.409 -6.237 6.195 1.00 0.00 C ATOM 0 H ILE A 58 -2.739 -8.158 7.010 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.930 -7.280 9.568 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.172 -5.689 6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.171 -7.352 7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.910 -7.833 6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.309 -4.358 7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.754 -4.295 8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.375 -5.324 9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.171 -6.914 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.208 -5.879 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.890 -5.389 6.683 1.00 0.00 H new ATOM 954 N CYS A 59 -4.765 -6.136 8.391 1.00 0.00 N ATOM 955 CA CYS A 59 -5.954 -5.345 8.692 1.00 0.00 C ATOM 956 C CYS A 59 -6.700 -5.918 9.892 1.00 0.00 C ATOM 957 O CYS A 59 -7.045 -5.190 10.821 1.00 0.00 O ATOM 958 CB CYS A 59 -6.870 -5.275 7.463 1.00 0.00 C ATOM 959 SG CYS A 59 -6.173 -4.316 6.104 1.00 0.00 S ATOM 0 H CYS A 59 -4.848 -6.720 7.559 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.639 -4.333 8.947 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -7.077 -6.287 7.115 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.824 -4.837 7.755 1.00 0.00 H new ATOM 0 HG CYS A 59 -6.960 -4.390 5.072 1.00 0.00 H new ATOM 965 N LYS A 60 -6.902 -7.232 9.889 1.00 0.00 N ATOM 966 CA LYS A 60 -7.640 -7.894 10.957 1.00 0.00 C ATOM 967 C LYS A 60 -6.808 -7.901 12.235 1.00 0.00 C ATOM 968 O LYS A 60 -7.346 -7.879 13.344 1.00 0.00 O ATOM 969 CB LYS A 60 -8.008 -9.334 10.562 1.00 0.00 C ATOM 970 CG LYS A 60 -8.714 -9.479 9.210 1.00 0.00 C ATOM 971 CD LYS A 60 -9.885 -8.512 9.025 1.00 0.00 C ATOM 972 CE LYS A 60 -11.012 -8.732 10.030 1.00 0.00 C ATOM 973 NZ LYS A 60 -12.225 -7.945 9.669 1.00 0.00 N ATOM 0 H LYS A 60 -6.565 -7.859 9.158 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.563 -7.341 11.129 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.097 -9.933 10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.651 -9.753 11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.990 -9.317 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.078 -10.501 9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.520 -7.489 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.281 -8.621 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.263 -9.792 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.674 -8.446 11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.798 -7.780 10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.938 -7.032 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.787 -8.473 8.971 1.00 0.00 H new ATOM 987 N ASP A 61 -5.487 -7.938 12.070 1.00 0.00 N ATOM 988 CA ASP A 61 -4.562 -7.897 13.201 1.00 0.00 C ATOM 989 C ASP A 61 -4.293 -6.449 13.619 1.00 0.00 C ATOM 990 O ASP A 61 -3.796 -6.197 14.718 1.00 0.00 O ATOM 991 CB ASP A 61 -3.245 -8.609 12.838 1.00 0.00 C ATOM 992 CG ASP A 61 -2.266 -8.714 14.003 1.00 0.00 C ATOM 993 OD1 ASP A 61 -2.712 -8.968 15.145 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.041 -8.580 13.778 1.00 0.00 O ATOM 0 H ASP A 61 -5.032 -7.997 11.159 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.017 -8.418 14.043 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.472 -9.611 12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.766 -8.073 12.019 1.00 0.00 H new ATOM 999 N ARG A 62 -4.653 -5.501 12.741 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.414 -4.071 12.981 1.00 0.00 C ATOM 1001 C ARG A 62 -2.914 -3.807 13.107 1.00 0.00 C ATOM 1002 O ARG A 62 -2.471 -2.904 13.819 1.00 0.00 O ATOM 1003 CB ARG A 62 -5.169 -3.593 14.230 1.00 0.00 C ATOM 1004 CG ARG A 62 -6.687 -3.642 14.077 1.00 0.00 C ATOM 1005 CD ARG A 62 -7.401 -3.219 15.353 1.00 0.00 C ATOM 1006 NE ARG A 62 -8.850 -3.148 15.170 1.00 0.00 N ATOM 1007 CZ ARG A 62 -9.738 -3.316 16.148 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -9.334 -3.624 17.377 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -11.032 -3.190 15.892 1.00 0.00 N ATOM 0 H ARG A 62 -5.113 -5.701 11.853 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.794 -3.504 12.131 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.877 -4.210 15.080 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.867 -2.571 14.459 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.990 -2.990 13.258 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.992 -4.653 13.809 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.170 -3.926 16.150 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.027 -2.246 15.672 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.204 -2.957 14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.339 -3.733 17.575 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.019 -3.751 18.122 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.346 -2.965 14.948 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.715 -3.318 16.639 1.00 0.00 H new ATOM 1023 N ARG A 63 -2.155 -4.574 12.340 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.699 -4.607 12.422 1.00 0.00 C ATOM 1025 C ARG A 63 -0.078 -3.400 11.706 1.00 0.00 C ATOM 1026 O ARG A 63 1.146 -3.262 11.636 1.00 0.00 O ATOM 1027 CB ARG A 63 -0.232 -5.926 11.796 1.00 0.00 C ATOM 1028 CG ARG A 63 1.154 -6.398 12.209 1.00 0.00 C ATOM 1029 CD ARG A 63 1.425 -7.779 11.622 1.00 0.00 C ATOM 1030 NE ARG A 63 2.617 -8.412 12.181 1.00 0.00 N ATOM 1031 CZ ARG A 63 2.585 -9.493 12.961 1.00 0.00 C ATOM 1032 NH1 ARG A 63 1.422 -9.987 13.378 1.00 0.00 N ATOM 1033 NH2 ARG A 63 3.715 -10.064 13.344 1.00 0.00 N ATOM 0 H ARG A 63 -2.537 -5.201 11.632 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.376 -4.550 13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.952 -6.703 12.052 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.251 -5.819 10.711 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.907 -5.691 11.862 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.227 -6.434 13.296 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.562 -8.420 11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.539 -7.693 10.541 1.00 0.00 H new ATOM 0 HE ARG A 63 3.526 -8.004 11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.549 -9.539 13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.404 -10.814 13.975 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.609 -9.677 13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.692 -10.891 13.941 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.938 -2.520 11.184 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.491 -1.302 10.502 1.00 0.00 C ATOM 1049 C TRP A 64 0.260 -0.382 11.467 1.00 0.00 C ATOM 1050 O TRP A 64 0.957 0.539 11.042 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.683 -0.550 9.888 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.489 -1.365 8.912 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.788 -1.764 9.054 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.049 -1.885 7.648 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.182 -2.491 7.959 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.134 -2.578 7.085 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.846 -1.832 6.936 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.052 -3.210 5.849 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.768 -2.459 5.708 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.864 -3.141 5.175 1.00 0.00 C ATOM 0 H TRP A 64 -1.951 -2.629 11.221 1.00 0.00 H new ATOM 0 HA TRP A 64 0.186 -1.600 9.702 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.338 -0.213 10.691 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.314 0.342 9.382 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.414 -1.540 9.905 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.106 -2.900 7.820 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.008 -1.309 7.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.898 -3.738 5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.156 -2.421 5.150 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.772 -3.623 4.213 1.00 0.00 H new ATOM 1071 N ALA A 65 0.110 -0.627 12.766 1.00 0.00 N ATOM 1072 CA ALA A 65 0.863 0.118 13.766 1.00 0.00 C ATOM 1073 C ALA A 65 2.358 -0.105 13.548 1.00 0.00 C ATOM 1074 O ALA A 65 3.153 0.844 13.541 1.00 0.00 O ATOM 1075 CB ALA A 65 0.447 -0.301 15.172 1.00 0.00 C ATOM 0 H ALA A 65 -0.522 -1.331 13.147 1.00 0.00 H new ATOM 0 HA ALA A 65 0.647 1.181 13.660 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.020 0.266 15.905 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.616 -0.104 15.311 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.639 -1.366 15.306 1.00 0.00 H new ATOM 1081 N ARG A 66 2.725 -1.369 13.333 1.00 0.00 N ATOM 1082 CA ARG A 66 4.110 -1.732 13.063 1.00 0.00 C ATOM 1083 C ARG A 66 4.602 -1.059 11.787 1.00 0.00 C ATOM 1084 O ARG A 66 5.706 -0.518 11.752 1.00 0.00 O ATOM 1085 CB ARG A 66 4.271 -3.253 12.928 1.00 0.00 C ATOM 1086 CG ARG A 66 5.716 -3.679 12.666 1.00 0.00 C ATOM 1087 CD ARG A 66 5.849 -5.169 12.383 1.00 0.00 C ATOM 1088 NE ARG A 66 7.255 -5.552 12.227 1.00 0.00 N ATOM 1089 CZ ARG A 66 7.682 -6.622 11.557 1.00 0.00 C ATOM 1090 NH1 ARG A 66 6.823 -7.423 10.943 1.00 0.00 N ATOM 1091 NH2 ARG A 66 8.980 -6.881 11.495 1.00 0.00 N ATOM 0 H ARG A 66 2.078 -2.158 13.341 1.00 0.00 H new ATOM 0 HA ARG A 66 4.707 -1.389 13.908 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.916 -3.733 13.840 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.640 -3.609 12.114 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.108 -3.116 11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.328 -3.422 13.530 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.402 -5.739 13.198 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.297 -5.421 11.477 1.00 0.00 H new ATOM 0 HE ARG A 66 7.958 -4.956 12.663 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.823 -7.223 10.980 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.161 -8.239 10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.646 -6.263 11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.313 -7.698 10.984 1.00 0.00 H new ATOM 1105 N VAL A 67 3.774 -1.086 10.740 1.00 0.00 N ATOM 1106 CA VAL A 67 4.172 -0.539 9.444 1.00 0.00 C ATOM 1107 C VAL A 67 4.384 0.973 9.553 1.00 0.00 C ATOM 1108 O VAL A 67 5.279 1.531 8.918 1.00 0.00 O ATOM 1109 CB VAL A 67 3.149 -0.863 8.315 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.635 -2.297 8.444 1.00 0.00 C ATOM 1111 CG2 VAL A 67 1.997 0.137 8.278 1.00 0.00 C ATOM 0 H VAL A 67 2.832 -1.477 10.765 1.00 0.00 H new ATOM 0 HA VAL A 67 5.110 -1.020 9.168 1.00 0.00 H new ATOM 0 HB VAL A 67 3.675 -0.773 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.922 -2.501 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.472 -2.992 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.144 -2.422 9.409 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.310 -0.129 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.468 0.117 9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.390 1.138 8.102 1.00 0.00 H new ATOM 1121 N ALA A 68 3.573 1.624 10.385 1.00 0.00 N ATOM 1122 CA ALA A 68 3.724 3.050 10.641 1.00 0.00 C ATOM 1123 C ALA A 68 5.071 3.315 11.310 1.00 0.00 C ATOM 1124 O ALA A 68 5.834 4.181 10.876 1.00 0.00 O ATOM 1125 CB ALA A 68 2.572 3.570 11.497 1.00 0.00 C ATOM 0 H ALA A 68 2.805 1.184 10.892 1.00 0.00 H new ATOM 0 HA ALA A 68 3.697 3.586 9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.705 4.637 11.676 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.629 3.404 10.977 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.559 3.041 12.450 1.00 0.00 H new ATOM 1131 N GLN A 69 5.368 2.540 12.352 1.00 0.00 N ATOM 1132 CA GLN A 69 6.656 2.634 13.040 1.00 0.00 C ATOM 1133 C GLN A 69 7.800 2.248 12.093 1.00 0.00 C ATOM 1134 O GLN A 69 8.929 2.725 12.231 1.00 0.00 O ATOM 1135 CB GLN A 69 6.664 1.728 14.279 1.00 0.00 C ATOM 1136 CG GLN A 69 5.667 2.147 15.355 1.00 0.00 C ATOM 1137 CD GLN A 69 5.645 1.200 16.545 1.00 0.00 C ATOM 1138 OE1 GLN A 69 6.647 0.555 16.864 1.00 0.00 O ATOM 1139 NE2 GLN A 69 4.505 1.116 17.217 1.00 0.00 N ATOM 0 H GLN A 69 4.735 1.840 12.739 1.00 0.00 H new ATOM 0 HA GLN A 69 6.803 3.666 13.359 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.444 0.706 13.971 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.666 1.723 14.708 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.914 3.151 15.701 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.669 2.197 14.919 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.698 1.665 16.922 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.435 0.502 18.029 1.00 0.00 H new ATOM 1148 N ARG A 70 7.484 1.393 11.125 1.00 0.00 N ATOM 1149 CA ARG A 70 8.455 0.926 10.136 1.00 0.00 C ATOM 1150 C ARG A 70 8.837 2.079 9.200 1.00 0.00 C ATOM 1151 O ARG A 70 10.002 2.233 8.827 1.00 0.00 O ATOM 1152 CB ARG A 70 7.853 -0.260 9.352 1.00 0.00 C ATOM 1153 CG ARG A 70 8.865 -1.185 8.665 1.00 0.00 C ATOM 1154 CD ARG A 70 9.516 -0.551 7.440 1.00 0.00 C ATOM 1155 NE ARG A 70 10.264 -1.537 6.653 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.272 -1.240 5.830 1.00 0.00 C ATOM 1157 NH1 ARG A 70 11.682 0.017 5.694 1.00 0.00 N ATOM 1158 NH2 ARG A 70 11.874 -2.203 5.144 1.00 0.00 N ATOM 0 H ARG A 70 6.549 1.004 11.003 1.00 0.00 H new ATOM 0 HA ARG A 70 9.362 0.584 10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.250 -0.856 10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.177 0.135 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.640 -1.461 9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.364 -2.106 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.749 -0.093 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.187 0.247 7.757 1.00 0.00 H new ATOM 0 HE ARG A 70 9.995 -2.517 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.226 0.762 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.453 0.237 5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.566 -3.170 5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.644 -1.976 4.515 1.00 0.00 H new ATOM 1172 N LEU A 71 7.844 2.893 8.836 1.00 0.00 N ATOM 1173 CA LEU A 71 8.070 4.073 7.988 1.00 0.00 C ATOM 1174 C LEU A 71 8.521 5.278 8.821 1.00 0.00 C ATOM 1175 O LEU A 71 8.576 6.400 8.318 1.00 0.00 O ATOM 1176 CB LEU A 71 6.803 4.424 7.181 1.00 0.00 C ATOM 1177 CG LEU A 71 6.599 3.627 5.876 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.472 2.133 6.150 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.377 4.141 5.114 1.00 0.00 C ATOM 0 H LEU A 71 6.872 2.759 9.114 1.00 0.00 H new ATOM 0 HA LEU A 71 8.868 3.825 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.933 4.269 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.833 5.486 6.936 1.00 0.00 H new ATOM 0 HG LEU A 71 7.482 3.777 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.329 1.601 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.379 1.774 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.616 1.954 6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.251 3.565 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.488 4.032 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.519 5.193 4.865 1.00 0.00 H new ATOM 1191 N ASN A 72 8.846 5.029 10.093 1.00 0.00 N ATOM 1192 CA ASN A 72 9.406 6.050 10.991 1.00 0.00 C ATOM 1193 C ASN A 72 8.366 7.096 11.389 1.00 0.00 C ATOM 1194 O ASN A 72 8.721 8.203 11.810 1.00 0.00 O ATOM 1195 CB ASN A 72 10.634 6.739 10.365 1.00 0.00 C ATOM 1196 CG ASN A 72 11.808 5.796 10.163 1.00 0.00 C ATOM 1197 OD1 ASN A 72 12.649 5.628 11.050 1.00 0.00 O ATOM 1198 ND2 ASN A 72 11.880 5.182 8.992 1.00 0.00 N ATOM 0 H ASN A 72 8.729 4.115 10.531 1.00 0.00 H new ATOM 0 HA ASN A 72 9.722 5.528 11.894 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.351 7.169 9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.945 7.565 11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.651 4.543 8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.164 5.348 8.284 1.00 0.00 H new ATOM 1205 N TYR A 73 7.087 6.742 11.293 1.00 0.00 N ATOM 1206 CA TYR A 73 6.019 7.633 11.739 1.00 0.00 C ATOM 1207 C TYR A 73 5.990 7.676 13.270 1.00 0.00 C ATOM 1208 O TYR A 73 6.335 6.689 13.928 1.00 0.00 O ATOM 1209 CB TYR A 73 4.649 7.179 11.207 1.00 0.00 C ATOM 1210 CG TYR A 73 4.495 7.256 9.694 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.933 8.368 8.980 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.891 6.222 8.987 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.776 8.441 7.607 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.733 6.287 7.617 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.176 7.399 6.930 1.00 0.00 C ATOM 1216 OH TYR A 73 4.015 7.467 5.562 1.00 0.00 O ATOM 0 H TYR A 73 6.766 5.851 10.913 1.00 0.00 H new ATOM 0 HA TYR A 73 6.221 8.628 11.344 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.474 6.151 11.524 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.874 7.791 11.669 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.403 9.186 9.506 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.539 5.351 9.520 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.122 9.310 7.067 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.265 5.472 7.085 1.00 0.00 H new ATOM 0 HH TYR A 73 3.802 6.576 5.213 1.00 0.00 H new ATOM 1226 N PRO A 74 5.612 8.825 13.861 1.00 0.00 N ATOM 1227 CA PRO A 74 5.525 8.973 15.320 1.00 0.00 C ATOM 1228 C PRO A 74 4.400 8.121 15.914 1.00 0.00 C ATOM 1229 O PRO A 74 3.480 7.713 15.197 1.00 0.00 O ATOM 1230 CB PRO A 74 5.239 10.471 15.510 1.00 0.00 C ATOM 1231 CG PRO A 74 4.591 10.893 14.237 1.00 0.00 C ATOM 1232 CD PRO A 74 5.240 10.071 13.158 1.00 0.00 C ATOM 0 HA PRO A 74 6.431 8.639 15.826 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.585 10.645 16.365 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.157 11.030 15.692 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.516 10.719 14.269 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.736 11.958 14.058 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.556 9.878 12.332 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.112 10.573 12.739 1.00 0.00 H new ATOM 1240 N PRO A 75 4.462 7.831 17.232 1.00 0.00 N ATOM 1241 CA PRO A 75 3.421 7.060 17.923 1.00 0.00 C ATOM 1242 C PRO A 75 2.040 7.713 17.803 1.00 0.00 C ATOM 1243 O PRO A 75 1.913 8.858 17.358 1.00 0.00 O ATOM 1244 CB PRO A 75 3.892 7.042 19.388 1.00 0.00 C ATOM 1245 CG PRO A 75 5.361 7.296 19.319 1.00 0.00 C ATOM 1246 CD PRO A 75 5.556 8.219 18.146 1.00 0.00 C ATOM 0 HA PRO A 75 3.300 6.064 17.496 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.385 7.807 19.976 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.678 6.083 19.861 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.724 7.751 20.241 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.914 6.367 19.183 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.484 9.266 18.440 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.534 8.084 17.685 1.00 0.00 H new ATOM 1254 N GLY A 76 1.014 6.995 18.239 1.00 0.00 N ATOM 1255 CA GLY A 76 -0.356 7.451 18.078 1.00 0.00 C ATOM 1256 C GLY A 76 -1.184 6.446 17.305 1.00 0.00 C ATOM 1257 O GLY A 76 -2.389 6.330 17.526 1.00 0.00 O ATOM 0 H GLY A 76 1.107 6.094 18.707 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.804 7.617 19.058 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.364 8.409 17.558 1.00 0.00 H new ATOM 1261 N LYS A 77 -0.535 5.741 16.370 1.00 0.00 N ATOM 1262 CA LYS A 77 -1.124 4.571 15.695 1.00 0.00 C ATOM 1263 C LYS A 77 -2.218 4.955 14.682 1.00 0.00 C ATOM 1264 O LYS A 77 -2.454 4.224 13.718 1.00 0.00 O ATOM 1265 CB LYS A 77 -1.650 3.580 16.761 1.00 0.00 C ATOM 1266 CG LYS A 77 -2.302 2.296 16.229 1.00 0.00 C ATOM 1267 CD LYS A 77 -3.805 2.461 15.989 1.00 0.00 C ATOM 1268 CE LYS A 77 -4.506 1.119 15.802 1.00 0.00 C ATOM 1269 NZ LYS A 77 -4.412 0.270 17.022 1.00 0.00 N ATOM 0 H LYS A 77 0.411 5.962 16.059 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.343 4.087 15.108 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.819 3.300 17.408 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.377 4.101 17.384 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.818 2.005 15.297 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.137 1.486 16.940 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.251 2.988 16.832 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.965 3.080 15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.555 1.288 15.557 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.062 0.592 14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.155 -0.457 16.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.479 -0.189 17.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.536 0.863 17.868 1.00 0.00 H new ATOM 1283 N ASN A 78 -2.856 6.109 14.879 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.980 6.543 14.039 1.00 0.00 C ATOM 1285 C ASN A 78 -3.589 6.620 12.557 1.00 0.00 C ATOM 1286 O ASN A 78 -4.441 6.492 11.674 1.00 0.00 O ATOM 1287 CB ASN A 78 -4.496 7.908 14.516 1.00 0.00 C ATOM 1288 CG ASN A 78 -5.720 8.385 13.743 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -6.542 7.585 13.292 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -5.850 9.693 13.589 1.00 0.00 N ATOM 0 H ASN A 78 -2.613 6.767 15.619 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.771 5.799 14.135 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.744 7.847 15.576 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.700 8.646 14.417 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.651 10.070 13.083 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.149 10.324 13.977 1.00 0.00 H new ATOM 1297 N ILE A 79 -2.294 6.802 12.290 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.797 6.907 10.917 1.00 0.00 C ATOM 1299 C ILE A 79 -2.132 5.630 10.136 1.00 0.00 C ATOM 1300 O ILE A 79 -2.332 5.660 8.919 1.00 0.00 O ATOM 1301 CB ILE A 79 -0.259 7.173 10.857 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.118 8.491 11.573 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.227 7.214 9.405 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.069 8.429 13.087 1.00 0.00 C ATOM 0 H ILE A 79 -1.571 6.880 13.006 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.295 7.763 10.462 1.00 0.00 H new ATOM 0 HB ILE A 79 0.233 6.350 11.376 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.124 8.779 11.268 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.556 9.278 11.234 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.301 7.400 9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.016 6.259 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.289 8.012 8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.349 9.398 13.500 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.941 8.175 13.408 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.764 7.669 13.443 1.00 0.00 H new ATOM 1316 N GLY A 80 -2.217 4.513 10.859 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.571 3.243 10.248 1.00 0.00 C ATOM 1318 C GLY A 80 -3.965 3.263 9.645 1.00 0.00 C ATOM 1319 O GLY A 80 -4.208 2.646 8.607 1.00 0.00 O ATOM 0 H GLY A 80 -2.045 4.467 11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.845 3.001 9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.513 2.453 10.997 1.00 0.00 H new ATOM 1323 N SER A 81 -4.881 3.980 10.295 1.00 0.00 N ATOM 1324 CA SER A 81 -6.249 4.118 9.805 1.00 0.00 C ATOM 1325 C SER A 81 -6.262 4.930 8.511 1.00 0.00 C ATOM 1326 O SER A 81 -6.968 4.598 7.556 1.00 0.00 O ATOM 1327 CB SER A 81 -7.121 4.793 10.872 1.00 0.00 C ATOM 1328 OG SER A 81 -7.042 4.097 12.105 1.00 0.00 O ATOM 0 H SER A 81 -4.697 4.476 11.167 1.00 0.00 H new ATOM 0 HA SER A 81 -6.656 3.128 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.799 5.825 11.011 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.157 4.825 10.534 1.00 0.00 H new ATOM 0 HG SER A 81 -7.604 4.546 12.771 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.454 5.988 8.492 1.00 0.00 N ATOM 1335 CA LEU A 82 -5.285 6.828 7.309 1.00 0.00 C ATOM 1336 C LEU A 82 -4.809 5.963 6.137 1.00 0.00 C ATOM 1337 O LEU A 82 -5.391 5.983 5.038 1.00 0.00 O ATOM 1338 CB LEU A 82 -4.274 7.952 7.635 1.00 0.00 C ATOM 1339 CG LEU A 82 -4.101 9.079 6.593 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.241 8.634 5.409 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.461 9.587 6.116 1.00 0.00 C ATOM 0 H LEU A 82 -4.899 6.286 9.294 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.231 7.288 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.572 8.409 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.300 7.491 7.797 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.577 9.899 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.145 9.456 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.252 8.345 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.712 7.783 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.316 10.380 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.016 8.767 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.022 9.976 6.965 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.764 5.185 6.403 1.00 0.00 N ATOM 1354 CA LEU A 83 -3.199 4.266 5.423 1.00 0.00 C ATOM 1355 C LEU A 83 -4.262 3.299 4.909 1.00 0.00 C ATOM 1356 O LEU A 83 -4.484 3.196 3.701 1.00 0.00 O ATOM 1357 CB LEU A 83 -2.033 3.488 6.053 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.448 2.349 5.200 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.897 2.879 3.878 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.368 1.605 5.977 1.00 0.00 C ATOM 0 H LEU A 83 -3.286 5.175 7.304 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.829 4.844 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.233 4.192 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.371 3.070 7.001 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.252 1.650 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.490 2.052 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.698 3.359 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.109 3.605 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.036 0.802 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.432 2.297 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.798 1.183 6.885 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.927 2.610 5.836 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.935 1.612 5.483 1.00 0.00 C ATOM 1374 C ARG A 84 -7.044 2.232 4.637 1.00 0.00 C ATOM 1375 O ARG A 84 -7.502 1.630 3.668 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.545 0.978 6.742 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.570 -0.112 6.432 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.354 -0.535 7.670 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.372 -1.545 7.359 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.478 -1.313 6.643 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.729 -0.104 6.149 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.336 -2.299 6.435 1.00 0.00 N ATOM 0 H ARG A 84 -4.785 2.726 6.839 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.437 0.836 4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.746 0.554 7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.021 1.756 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.262 0.249 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.060 -0.979 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.666 -0.932 8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.833 0.339 8.111 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.226 -2.490 7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.074 0.660 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.576 0.059 5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.151 -3.226 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.182 -2.132 5.890 1.00 0.00 H new ATOM 1396 N SER A 85 -7.465 3.440 5.003 1.00 0.00 N ATOM 1397 CA SER A 85 -8.545 4.121 4.298 1.00 0.00 C ATOM 1398 C SER A 85 -8.152 4.389 2.845 1.00 0.00 C ATOM 1399 O SER A 85 -8.930 4.127 1.925 1.00 0.00 O ATOM 1400 CB SER A 85 -8.916 5.432 5.006 1.00 0.00 C ATOM 1401 OG SER A 85 -10.057 6.033 4.410 1.00 0.00 O ATOM 0 H SER A 85 -7.074 3.967 5.784 1.00 0.00 H new ATOM 0 HA SER A 85 -9.420 3.471 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.114 5.236 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.074 6.123 4.963 1.00 0.00 H new ATOM 0 HG SER A 85 -10.272 6.865 4.881 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.937 4.899 2.633 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.476 5.193 1.274 1.00 0.00 C ATOM 1409 C HIS A 86 -6.140 3.909 0.515 1.00 0.00 C ATOM 1410 O HIS A 86 -6.259 3.859 -0.710 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.277 6.152 1.282 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.644 7.559 1.658 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.581 8.204 2.843 1.00 0.00 N flip ATOM 1414 CD2 HIS A 86 -6.152 8.473 0.757 1.00 0.00 C flip ATOM 1415 CE1 HIS A 86 -6.046 9.478 2.641 1.00 0.00 C flip ATOM 1416 NE2 HIS A 86 -6.383 9.617 1.377 1.00 0.00 N flip ATOM 0 H HIS A 86 -6.265 5.114 3.370 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.295 5.689 0.753 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.528 5.780 1.981 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.817 6.156 0.294 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.332 8.283 -0.291 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.123 10.244 3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -6.758 10.463 0.949 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.733 2.869 1.239 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.476 1.566 0.628 1.00 0.00 C ATOM 1427 C TYR A 87 -6.793 0.992 0.115 1.00 0.00 C ATOM 1428 O TYR A 87 -6.897 0.568 -1.034 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.839 0.600 1.646 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.249 -0.669 1.034 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.041 -1.575 0.324 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.892 -0.958 1.162 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.497 -2.718 -0.232 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.345 -2.100 0.605 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.152 -2.977 -0.089 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.610 -4.108 -0.655 1.00 0.00 O ATOM 0 H TYR A 87 -5.574 2.902 2.246 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.778 1.691 -0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.052 1.128 2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.593 0.317 2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.097 -1.379 0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.255 -0.277 1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.126 -3.406 -0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.290 -2.304 0.713 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.603 -4.015 -1.631 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.798 1.038 0.985 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.132 0.498 0.721 1.00 0.00 C ATOM 1448 C GLU A 88 -9.705 1.025 -0.600 1.00 0.00 C ATOM 1449 O GLU A 88 -10.588 0.406 -1.199 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.062 0.883 1.885 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.460 0.275 1.818 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.404 0.874 2.852 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.407 0.414 4.017 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -13.152 1.812 2.503 1.00 0.00 O ATOM 0 H GLU A 88 -7.709 1.459 1.910 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.057 -0.586 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.594 0.579 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.155 1.969 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.873 0.429 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.393 -0.802 1.972 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.213 2.182 -1.041 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.711 2.824 -2.258 1.00 0.00 C ATOM 1463 C ARG A 89 -8.702 2.720 -3.404 1.00 0.00 C ATOM 1464 O ARG A 89 -9.000 2.156 -4.457 1.00 0.00 O ATOM 1465 CB ARG A 89 -10.030 4.301 -1.975 1.00 0.00 C ATOM 1466 CG ARG A 89 -11.006 4.531 -0.817 1.00 0.00 C ATOM 1467 CD ARG A 89 -12.418 4.027 -1.122 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.503 2.562 -1.185 1.00 0.00 N ATOM 1469 CZ ARG A 89 -13.644 1.877 -1.281 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -14.809 2.515 -1.299 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -13.611 0.549 -1.353 1.00 0.00 N ATOM 0 H ARG A 89 -8.467 2.696 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.619 2.304 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.099 4.825 -1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.445 4.749 -2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.630 4.028 0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.047 5.596 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.102 4.393 -0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.750 4.446 -2.072 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.632 2.033 -1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.834 3.533 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.679 1.987 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.716 0.059 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.480 0.020 -1.426 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.507 3.256 -3.180 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.505 3.398 -4.239 1.00 0.00 C ATOM 1487 C ILE A 90 -5.704 2.113 -4.450 1.00 0.00 C ATOM 1488 O ILE A 90 -5.490 1.684 -5.585 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.521 4.558 -3.914 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -6.284 5.882 -3.721 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.453 4.702 -5.006 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -7.049 6.344 -4.947 1.00 0.00 C ATOM 0 H ILE A 90 -7.204 3.602 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.051 3.619 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.014 4.314 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.983 5.768 -2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.575 6.659 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.780 5.521 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.884 3.775 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.935 4.912 -5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.558 7.283 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.355 6.493 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.785 5.589 -5.223 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.273 1.494 -3.356 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.276 0.424 -3.427 1.00 0.00 C ATOM 1506 C VAL A 91 -4.906 -0.973 -3.382 1.00 0.00 C ATOM 1507 O VAL A 91 -4.258 -1.958 -3.734 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.241 0.560 -2.277 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -2.062 -0.391 -2.481 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.761 2.007 -2.150 1.00 0.00 C ATOM 0 H VAL A 91 -5.595 1.711 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.776 0.533 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.734 0.282 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.354 -0.274 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.424 -1.419 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.567 -0.159 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.037 2.080 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.293 2.318 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.611 2.655 -1.937 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.167 -1.063 -2.970 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.825 -2.366 -2.812 1.00 0.00 C ATOM 1522 C TYR A 92 -6.814 -3.167 -4.130 1.00 0.00 C ATOM 1523 O TYR A 92 -6.521 -4.364 -4.117 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.259 -2.211 -2.268 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.702 -3.355 -1.359 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.955 -4.527 -1.250 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.863 -3.254 -0.598 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.352 -5.554 -0.417 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.263 -4.279 0.239 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.505 -5.424 0.326 1.00 0.00 C ATOM 1531 OH TYR A 92 -9.907 -6.445 1.153 1.00 0.00 O ATOM 0 H TYR A 92 -6.753 -0.261 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.252 -2.931 -2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.329 -1.274 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.950 -2.139 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.049 -4.634 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.463 -2.358 -0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.761 -6.455 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.167 -4.181 0.822 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.181 -7.097 1.245 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.120 -2.535 -5.293 1.00 0.00 N ATOM 1542 CA PRO A 93 -7.004 -3.211 -6.595 1.00 0.00 C ATOM 1543 C PRO A 93 -5.580 -3.724 -6.846 1.00 0.00 C ATOM 1544 O PRO A 93 -5.386 -4.730 -7.532 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.384 -2.123 -7.618 1.00 0.00 C ATOM 1546 CG PRO A 93 -7.275 -0.834 -6.873 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.623 -1.155 -5.447 1.00 0.00 C ATOM 0 HA PRO A 93 -7.643 -4.092 -6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.714 -2.139 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.394 -2.275 -7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.268 -0.424 -6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.955 -0.087 -7.283 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.143 -0.469 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.696 -1.093 -5.268 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.589 -3.036 -6.273 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.190 -3.436 -6.422 1.00 0.00 C ATOM 1557 C TYR A 94 -2.897 -4.701 -5.632 1.00 0.00 C ATOM 1558 O TYR A 94 -2.091 -5.521 -6.063 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.235 -2.310 -6.006 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.971 -1.322 -7.120 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.975 -1.568 -8.059 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.720 -0.160 -7.244 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.736 -0.685 -9.090 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.482 0.729 -8.267 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.489 0.464 -9.188 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.267 1.341 -10.223 1.00 0.00 O ATOM 0 H TYR A 94 -4.730 -2.202 -5.703 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.023 -3.643 -7.479 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.655 -1.782 -5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.290 -2.744 -5.680 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.379 -2.465 -7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.501 0.049 -6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.036 -0.893 -9.816 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.070 1.631 -8.349 1.00 0.00 H new ATOM 0 HH TYR A 94 -1.209 2.254 -9.872 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.546 -4.855 -4.481 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.468 -6.105 -3.733 1.00 0.00 C ATOM 1578 C GLU A 95 -3.919 -7.246 -4.637 1.00 0.00 C ATOM 1579 O GLU A 95 -3.160 -8.175 -4.917 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.345 -6.040 -2.470 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.458 -7.365 -1.712 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.109 -7.937 -1.286 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -2.540 -7.455 -0.280 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -2.618 -8.868 -1.961 1.00 0.00 O ATOM 0 H GLU A 95 -4.127 -4.136 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.439 -6.273 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.938 -5.284 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.345 -5.710 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.077 -7.217 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.970 -8.093 -2.342 1.00 0.00 H new ATOM 1591 N MET A 96 -5.145 -7.122 -5.140 1.00 0.00 N ATOM 1592 CA MET A 96 -5.735 -8.122 -6.029 1.00 0.00 C ATOM 1593 C MET A 96 -4.842 -8.370 -7.245 1.00 0.00 C ATOM 1594 O MET A 96 -4.744 -9.495 -7.737 1.00 0.00 O ATOM 1595 CB MET A 96 -7.123 -7.656 -6.493 1.00 0.00 C ATOM 1596 CG MET A 96 -8.096 -7.374 -5.355 1.00 0.00 C ATOM 1597 SD MET A 96 -9.694 -6.772 -5.941 1.00 0.00 S ATOM 1598 CE MET A 96 -10.256 -8.165 -6.918 1.00 0.00 C ATOM 0 H MET A 96 -5.756 -6.329 -4.944 1.00 0.00 H new ATOM 0 HA MET A 96 -5.830 -9.056 -5.475 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.010 -6.753 -7.092 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.552 -8.418 -7.143 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.245 -8.285 -4.776 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.659 -6.636 -4.682 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.332 -8.088 -7.077 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.746 -8.163 -7.881 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.033 -9.093 -6.391 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.201 -7.307 -7.727 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.323 -7.392 -8.892 1.00 0.00 C ATOM 1610 C TYR A 97 -2.052 -8.178 -8.568 1.00 0.00 C ATOM 1611 O TYR A 97 -1.735 -9.155 -9.243 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.972 -5.980 -9.390 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.992 -5.947 -10.555 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -2.191 -6.736 -11.686 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.869 -5.124 -10.522 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -1.302 -6.706 -12.743 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.024 -5.090 -11.577 1.00 0.00 C ATOM 1618 CZ TYR A 97 -0.197 -5.883 -12.686 1.00 0.00 C ATOM 1619 OH TYR A 97 0.692 -5.854 -13.741 1.00 0.00 O ATOM 0 H TYR A 97 -4.274 -6.372 -7.326 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.852 -7.925 -9.682 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.890 -5.475 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.551 -5.410 -8.561 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.055 -7.382 -11.737 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.693 -4.501 -9.657 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.472 -7.325 -13.611 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.890 -4.446 -11.534 1.00 0.00 H new ATOM 0 HH TYR A 97 1.414 -5.222 -13.543 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.341 -7.756 -7.527 1.00 0.00 N ATOM 1630 CA GLN A 98 -0.066 -8.370 -7.162 1.00 0.00 C ATOM 1631 C GLN A 98 -0.265 -9.824 -6.736 1.00 0.00 C ATOM 1632 O GLN A 98 0.356 -10.733 -7.296 1.00 0.00 O ATOM 1633 CB GLN A 98 0.621 -7.569 -6.045 1.00 0.00 C ATOM 1634 CG GLN A 98 0.982 -6.138 -6.439 1.00 0.00 C ATOM 1635 CD GLN A 98 1.926 -6.066 -7.630 1.00 0.00 C ATOM 1636 OE1 GLN A 98 2.739 -6.962 -7.854 1.00 0.00 O ATOM 1637 NE2 GLN A 98 1.827 -4.992 -8.402 1.00 0.00 N ATOM 0 H GLN A 98 -1.626 -6.989 -6.919 1.00 0.00 H new ATOM 0 HA GLN A 98 0.579 -8.358 -8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.036 -7.541 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.528 -8.092 -5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.069 -5.591 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.443 -5.638 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.141 -4.269 -8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.437 -4.889 -9.213 1.00 0.00 H new ATOM 1646 N SER A 99 -1.140 -10.049 -5.759 1.00 0.00 N ATOM 1647 CA SER A 99 -1.435 -11.405 -5.316 1.00 0.00 C ATOM 1648 C SER A 99 -2.053 -12.201 -6.464 1.00 0.00 C ATOM 1649 O SER A 99 -1.691 -13.350 -6.701 1.00 0.00 O ATOM 1650 CB SER A 99 -2.362 -11.390 -4.093 1.00 0.00 C ATOM 1651 OG SER A 99 -3.528 -10.628 -4.340 1.00 0.00 O ATOM 0 H SER A 99 -1.651 -9.318 -5.265 1.00 0.00 H new ATOM 0 HA SER A 99 -0.505 -11.889 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.641 -12.411 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.830 -10.977 -3.236 1.00 0.00 H new ATOM 0 HG SER A 99 -3.314 -9.674 -4.281 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.960 -11.567 -7.202 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.573 -12.213 -8.348 1.00 0.00 C ATOM 1659 C GLY A 100 -2.563 -12.581 -9.423 1.00 0.00 C ATOM 1660 O GLY A 100 -2.790 -13.510 -10.201 1.00 0.00 O ATOM 0 H GLY A 100 -3.282 -10.615 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.091 -13.114 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.326 -11.550 -8.774 1.00 0.00 H new ATOM 1664 N ALA A 101 -1.452 -11.849 -9.470 1.00 0.00 N ATOM 1665 CA ALA A 101 -0.395 -12.109 -10.446 1.00 0.00 C ATOM 1666 C ALA A 101 0.555 -13.207 -9.965 1.00 0.00 C ATOM 1667 O ALA A 101 1.065 -13.991 -10.769 1.00 0.00 O ATOM 1668 CB ALA A 101 0.378 -10.829 -10.742 1.00 0.00 C ATOM 0 H ALA A 101 -1.260 -11.069 -8.842 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.867 -12.458 -11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.162 -11.037 -11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.302 -10.078 -11.145 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.827 -10.454 -9.822 1.00 0.00 H new ATOM 1674 N ASN A 102 0.802 -13.256 -8.658 1.00 0.00 N ATOM 1675 CA ASN A 102 1.718 -14.252 -8.092 1.00 0.00 C ATOM 1676 C ASN A 102 0.949 -15.455 -7.543 1.00 0.00 C ATOM 1677 O ASN A 102 1.115 -16.578 -8.021 1.00 0.00 O ATOM 1678 CB ASN A 102 2.582 -13.632 -6.981 1.00 0.00 C ATOM 1679 CG ASN A 102 3.487 -12.515 -7.478 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.133 -11.762 -8.382 1.00 0.00 O ATOM 1681 ND2 ASN A 102 4.673 -12.410 -6.900 1.00 0.00 N ATOM 0 H ASN A 102 0.386 -12.625 -7.973 1.00 0.00 H new ATOM 0 HA ASN A 102 2.371 -14.594 -8.895 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.931 -13.242 -6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.194 -14.412 -6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.326 -11.687 -7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.934 -13.052 -6.152 1.00 0.00 H new ATOM 1688 N LEU A 103 0.106 -15.208 -6.546 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.728 -16.247 -5.936 1.00 0.00 C ATOM 1690 C LEU A 103 -1.688 -15.601 -4.937 1.00 0.00 C ATOM 1691 O LEU A 103 -1.264 -14.956 -3.976 1.00 0.00 O ATOM 1692 CB LEU A 103 0.119 -17.348 -5.250 1.00 0.00 C ATOM 1693 CG LEU A 103 0.900 -16.950 -3.974 1.00 0.00 C ATOM 1694 CD1 LEU A 103 1.519 -18.183 -3.319 1.00 0.00 C ATOM 1695 CD2 LEU A 103 1.981 -15.914 -4.278 1.00 0.00 C ATOM 0 H LEU A 103 -0.021 -14.283 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.296 -16.737 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.544 -18.175 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.835 -17.727 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 103 0.190 -16.499 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.064 -17.884 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.731 -18.885 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.205 -18.661 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.509 -15.658 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.687 -16.326 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.520 -15.018 -4.693 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.984 -15.752 -5.184 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.999 -15.119 -4.355 1.00 0.00 C ATOM 1709 C VAL A 104 -4.547 -16.113 -3.329 1.00 0.00 C ATOM 1710 O VAL A 104 -5.161 -17.123 -3.682 1.00 0.00 O ATOM 1711 CB VAL A 104 -5.148 -14.526 -5.219 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -5.813 -15.597 -6.087 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -6.177 -13.813 -4.340 1.00 0.00 C ATOM 0 H VAL A 104 -3.356 -16.309 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.530 -14.293 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.708 -13.791 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.611 -15.144 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.072 -16.035 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.231 -16.375 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.971 -13.406 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.602 -14.522 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.692 -13.002 -3.797 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.287 -15.834 -2.059 1.00 0.00 N ATOM 1724 CA CYS A 105 -4.731 -16.692 -0.960 1.00 0.00 C ATOM 1725 C CYS A 105 -5.668 -15.926 -0.025 1.00 0.00 C ATOM 1726 O CYS A 105 -6.315 -16.507 0.846 1.00 0.00 O ATOM 1727 CB CYS A 105 -3.513 -17.214 -0.183 1.00 0.00 C ATOM 1728 SG CYS A 105 -3.915 -18.336 1.176 1.00 0.00 S ATOM 0 H CYS A 105 -3.765 -15.011 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.279 -17.538 -1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.848 -17.728 -0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.961 -16.363 0.216 1.00 0.00 H new ATOM 0 HG CYS A 105 -5.072 -18.016 1.675 1.00 0.00 H new ATOM 1734 N ASN A 106 -5.740 -14.612 -0.223 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.537 -13.724 0.628 1.00 0.00 C ATOM 1736 C ASN A 106 -7.957 -13.535 0.084 1.00 0.00 C ATOM 1737 O ASN A 106 -8.689 -12.657 0.542 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.842 -12.361 0.760 1.00 0.00 C ATOM 1739 CG ASN A 106 -5.586 -11.697 -0.586 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -5.371 -12.376 -1.594 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -5.607 -10.374 -0.616 1.00 0.00 N ATOM 0 H ASN A 106 -5.249 -14.131 -0.976 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.617 -14.192 1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.457 -11.703 1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.894 -12.491 1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.442 -9.881 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.788 -9.847 0.238 1.00 0.00 H new ATOM 1748 N THR A 107 -8.353 -14.379 -0.867 1.00 0.00 N ATOM 1749 CA THR A 107 -9.653 -14.248 -1.528 1.00 0.00 C ATOM 1750 C THR A 107 -10.815 -14.295 -0.524 1.00 0.00 C ATOM 1751 O THR A 107 -11.777 -13.532 -0.646 1.00 0.00 O ATOM 1752 CB THR A 107 -9.850 -15.357 -2.587 1.00 0.00 C ATOM 1753 OG1 THR A 107 -8.745 -15.356 -3.505 1.00 0.00 O ATOM 1754 CG2 THR A 107 -11.152 -15.173 -3.360 1.00 0.00 C ATOM 0 H THR A 107 -7.792 -15.163 -1.199 1.00 0.00 H new ATOM 0 HA THR A 107 -9.658 -13.274 -2.017 1.00 0.00 H new ATOM 0 HB THR A 107 -9.899 -16.311 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.874 -16.062 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.255 -15.971 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 107 -11.994 -15.206 -2.668 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.139 -14.210 -3.870 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.720 -15.184 0.462 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.786 -15.336 1.458 1.00 0.00 C ATOM 1764 C ARG A 108 -11.681 -14.283 2.575 1.00 0.00 C ATOM 1765 O ARG A 108 -12.682 -13.647 2.910 1.00 0.00 O ATOM 1766 CB ARG A 108 -11.797 -16.760 2.043 1.00 0.00 C ATOM 1767 CG ARG A 108 -12.070 -17.849 1.007 1.00 0.00 C ATOM 1768 CD ARG A 108 -12.109 -19.240 1.634 1.00 0.00 C ATOM 1769 NE ARG A 108 -10.837 -19.608 2.264 1.00 0.00 N ATOM 1770 CZ ARG A 108 -10.390 -20.863 2.378 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -11.083 -21.874 1.863 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -9.243 -21.104 3.001 1.00 0.00 N ATOM 0 H ARG A 108 -9.924 -15.807 0.595 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.733 -15.171 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.835 -16.955 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.555 -16.816 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -13.020 -17.648 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.298 -17.820 0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.904 -19.277 2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.357 -19.974 0.867 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.256 -18.858 2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.962 -21.695 1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.736 -22.829 1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.703 -20.332 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.901 -22.061 3.088 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.484 -14.082 3.185 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.276 -13.001 4.166 1.00 0.00 C ATOM 1788 C PRO A 109 -10.776 -11.649 3.645 1.00 0.00 C ATOM 1789 O PRO A 109 -11.211 -10.789 4.420 1.00 0.00 O ATOM 1790 CB PRO A 109 -8.755 -12.987 4.359 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.338 -14.392 4.092 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.263 -14.899 3.012 1.00 0.00 C ATOM 0 HA PRO A 109 -10.828 -13.167 5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.273 -12.291 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.485 -12.677 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.298 -14.436 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.418 -15.001 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.831 -14.768 2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.472 -15.962 3.130 1.00 0.00 H new ATOM 1800 N PHE A 110 -10.715 -11.488 2.322 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.222 -10.294 1.647 1.00 0.00 C ATOM 1802 C PHE A 110 -12.655 -10.008 2.107 1.00 0.00 C ATOM 1803 O PHE A 110 -12.975 -8.897 2.526 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.185 -10.512 0.124 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.117 -9.248 -0.705 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.069 -8.242 -0.574 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.099 -9.078 -1.632 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.000 -7.097 -1.352 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -10.028 -7.938 -2.407 1.00 0.00 C ATOM 1810 CZ PHE A 110 -10.979 -6.948 -2.268 1.00 0.00 C ATOM 0 H PHE A 110 -10.313 -12.181 1.690 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.596 -9.438 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.322 -11.133 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.073 -11.072 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -12.870 -8.354 0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.351 -9.849 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.744 -6.322 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.228 -7.821 -3.123 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.924 -6.057 -2.876 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.506 -11.036 2.046 1.00 0.00 N ATOM 1821 CA ASP A 111 -14.901 -10.918 2.479 1.00 0.00 C ATOM 1822 C ASP A 111 -14.968 -10.614 3.970 1.00 0.00 C ATOM 1823 O ASP A 111 -15.837 -9.874 4.426 1.00 0.00 O ATOM 1824 CB ASP A 111 -15.683 -12.213 2.200 1.00 0.00 C ATOM 1825 CG ASP A 111 -15.799 -12.544 0.723 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -16.780 -12.110 0.080 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -14.921 -13.261 0.198 1.00 0.00 O ATOM 0 H ASP A 111 -13.252 -11.961 1.700 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.352 -10.103 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.194 -13.041 2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.683 -12.122 2.624 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.035 -11.189 4.719 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.019 -11.064 6.176 1.00 0.00 C ATOM 1834 C ASN A 112 -13.651 -9.642 6.611 1.00 0.00 C ATOM 1835 O ASN A 112 -13.993 -9.212 7.718 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.041 -12.084 6.778 1.00 0.00 C ATOM 1837 CG ASN A 112 -12.999 -12.043 8.298 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -12.187 -11.332 8.889 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -13.871 -12.803 8.941 1.00 0.00 N ATOM 0 H ASN A 112 -13.273 -11.751 4.340 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.023 -11.271 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.325 -13.086 6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.041 -11.895 6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -13.885 -12.812 9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.529 -13.379 8.417 1.00 0.00 H new ATOM 1846 N GLU A 113 -12.939 -8.915 5.750 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.603 -7.520 6.037 1.00 0.00 C ATOM 1848 C GLU A 113 -13.589 -6.557 5.370 1.00 0.00 C ATOM 1849 O GLU A 113 -14.116 -5.648 6.019 1.00 0.00 O ATOM 1850 CB GLU A 113 -11.163 -7.197 5.610 1.00 0.00 C ATOM 1851 CG GLU A 113 -10.757 -5.734 5.833 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.722 -5.297 7.301 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -11.466 -5.858 8.135 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -9.959 -4.361 7.617 1.00 0.00 O ATOM 0 H GLU A 113 -12.587 -9.263 4.858 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.679 -7.385 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.479 -7.841 6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.046 -7.438 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.771 -5.574 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.453 -5.092 5.293 1.00 0.00 H new