USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 569 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 28 ASN : amide:sc= 0.62 K(o=-0.97,f=-1.8) USER MOD Set 1.2: A 37 MET CE :methyl -123:sc= -1.59 (180deg=-6.35!) USER MOD Set 2.1: A 10 ASN : amide:sc= -2.07! K(o=-2!,f=-1.1) USER MOD Set 2.2: A 11 THR OG1 : rot 51:sc= 0.0978 USER MOD Single : A 9 SER OG : rot 171:sc= 0.0101 USER MOD Single : A 23 GLN : amide:sc= -0.349 K(o=-0.35,f=-4.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -0.0109 (180deg=-0.0905) USER MOD Single : A 44 ASN : amide:sc= -0.0771 X(o=-0.077,f=0) USER MOD Single : A 56 SER OG : rot -76:sc= 0.51 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 78 TYR OH : rot 30:sc= -2.22! USER MOD Single : A 79 SER OG : rot 160:sc= -0.821 USER MOD Single : A 80 LYS NZ :NH3+ -121:sc= -0.422 (180deg=-1.84!) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 8 8.493 -11.258 0.834 1.00 0.00 N ATOM 17 CA LEU A 8 9.069 -12.590 0.990 1.00 0.00 C ATOM 18 C LEU A 8 10.541 -12.597 0.591 1.00 0.00 C ATOM 19 O LEU A 8 11.065 -11.600 0.094 1.00 0.00 O ATOM 20 CB LEU A 8 8.294 -13.604 0.147 1.00 0.00 C ATOM 21 CG LEU A 8 8.148 -13.269 -1.338 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.410 -13.650 -2.097 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.936 -13.975 -1.928 1.00 0.00 C ATOM 0 HA LEU A 8 8.996 -12.870 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.788 -14.572 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.297 -13.715 0.574 1.00 0.00 H new ATOM 0 HG LEU A 8 8.000 -12.193 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.288 -13.405 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.259 -13.099 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.589 -14.720 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.848 -13.725 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.054 -15.053 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.036 -13.654 -1.403 1.00 0.00 H new ATOM 35 N SER A 9 11.202 -13.730 0.808 1.00 0.00 N ATOM 36 CA SER A 9 12.614 -13.867 0.472 1.00 0.00 C ATOM 37 C SER A 9 12.799 -14.786 -0.731 1.00 0.00 C ATOM 38 O SER A 9 11.838 -15.356 -1.244 1.00 0.00 O ATOM 39 CB SER A 9 13.394 -14.412 1.670 1.00 0.00 C ATOM 40 OG SER A 9 13.728 -13.376 2.577 1.00 0.00 O ATOM 0 H SER A 9 10.782 -14.566 1.215 1.00 0.00 H new ATOM 0 HA SER A 9 12.999 -12.880 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.799 -15.169 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.303 -14.902 1.323 1.00 0.00 H new ATOM 0 HG SER A 9 14.095 -13.766 3.398 1.00 0.00 H new ATOM 46 N ASN A 10 14.044 -14.924 -1.176 1.00 0.00 N ATOM 47 CA ASN A 10 14.357 -15.773 -2.320 1.00 0.00 C ATOM 48 C ASN A 10 14.645 -17.203 -1.873 1.00 0.00 C ATOM 49 O ASN A 10 14.288 -18.164 -2.556 1.00 0.00 O ATOM 50 CB ASN A 10 15.559 -15.214 -3.083 1.00 0.00 C ATOM 51 CG ASN A 10 16.880 -15.705 -2.522 1.00 0.00 C ATOM 52 OD1 ASN A 10 17.345 -15.224 -1.488 1.00 0.00 O ATOM 53 ND2 ASN A 10 17.491 -16.666 -3.204 1.00 0.00 N ATOM 0 H ASN A 10 14.852 -14.459 -0.762 1.00 0.00 H new ATOM 0 HA ASN A 10 13.490 -15.785 -2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.485 -15.500 -4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.534 -14.125 -3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 10 18.383 -17.036 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.068 -17.035 -4.056 1.00 0.00 H new ATOM 60 N THR A 11 15.294 -17.338 -0.720 1.00 0.00 N ATOM 61 CA THR A 11 15.631 -18.650 -0.182 1.00 0.00 C ATOM 62 C THR A 11 15.519 -18.665 1.339 1.00 0.00 C ATOM 63 O THR A 11 16.482 -18.362 2.044 1.00 0.00 O ATOM 64 CB THR A 11 17.056 -19.073 -0.585 1.00 0.00 C ATOM 65 OG1 THR A 11 17.957 -17.971 -0.431 1.00 0.00 O ATOM 66 CG2 THR A 11 17.088 -19.564 -2.024 1.00 0.00 C ATOM 0 H THR A 11 15.596 -16.554 -0.141 1.00 0.00 H new ATOM 0 HA THR A 11 14.917 -19.358 -0.603 1.00 0.00 H new ATOM 0 HB THR A 11 17.367 -19.889 0.067 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.858 -17.590 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.105 -19.857 -2.286 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.424 -20.422 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.758 -18.765 -2.688 1.00 0.00 H new ATOM 74 N ARG A 12 14.340 -19.020 1.837 1.00 0.00 N ATOM 75 CA ARG A 12 14.103 -19.074 3.275 1.00 0.00 C ATOM 76 C ARG A 12 12.665 -19.489 3.573 1.00 0.00 C ATOM 77 O ARG A 12 11.718 -18.786 3.218 1.00 0.00 O ATOM 78 CB ARG A 12 14.396 -17.715 3.913 1.00 0.00 C ATOM 79 CG ARG A 12 15.244 -17.804 5.172 1.00 0.00 C ATOM 80 CD ARG A 12 15.322 -16.463 5.886 1.00 0.00 C ATOM 81 NE ARG A 12 16.687 -15.946 5.930 1.00 0.00 N ATOM 82 CZ ARG A 12 17.252 -15.277 4.932 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.573 -15.046 3.816 1.00 0.00 N ATOM 84 NH2 ARG A 12 18.499 -14.838 5.047 1.00 0.00 N ATOM 0 H ARG A 12 13.534 -19.275 1.267 1.00 0.00 H new ATOM 0 HA ARG A 12 14.774 -19.820 3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.906 -17.084 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.453 -17.225 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.822 -18.552 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.248 -18.139 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.678 -15.744 5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.942 -16.570 6.902 1.00 0.00 H new ATOM 0 HE ARG A 12 17.237 -16.108 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.615 -15.383 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.009 -14.532 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.025 -15.014 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.932 -14.324 4.279 1.00 0.00 H new ATOM 98 N LEU A 13 12.509 -20.634 4.228 1.00 0.00 N ATOM 99 CA LEU A 13 11.187 -21.143 4.575 1.00 0.00 C ATOM 100 C LEU A 13 11.053 -21.330 6.083 1.00 0.00 C ATOM 101 O LEU A 13 11.818 -22.074 6.697 1.00 0.00 O ATOM 102 CB LEU A 13 10.927 -22.471 3.860 1.00 0.00 C ATOM 103 CG LEU A 13 11.797 -22.756 2.636 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.514 -24.148 2.093 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.565 -21.705 1.560 1.00 0.00 C ATOM 0 H LEU A 13 13.282 -21.228 4.530 1.00 0.00 H new ATOM 0 HA LEU A 13 10.447 -20.411 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.067 -23.280 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.882 -22.496 3.552 1.00 0.00 H new ATOM 0 HG LEU A 13 12.843 -22.712 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.142 -24.333 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.731 -24.890 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.465 -24.220 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.193 -21.924 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.517 -21.717 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.819 -20.720 1.953 1.00 0.00 H new ATOM 117 N PHE A 14 10.076 -20.650 6.673 1.00 0.00 N ATOM 118 CA PHE A 14 9.841 -20.742 8.110 1.00 0.00 C ATOM 119 C PHE A 14 8.802 -21.814 8.424 1.00 0.00 C ATOM 120 O PHE A 14 7.666 -21.750 7.954 1.00 0.00 O ATOM 121 CB PHE A 14 9.378 -19.391 8.659 1.00 0.00 C ATOM 122 CG PHE A 14 8.272 -19.502 9.670 1.00 0.00 C ATOM 123 CD1 PHE A 14 8.531 -19.962 10.951 1.00 0.00 C ATOM 124 CD2 PHE A 14 6.975 -19.146 9.339 1.00 0.00 C ATOM 125 CE1 PHE A 14 7.516 -20.066 11.883 1.00 0.00 C ATOM 126 CE2 PHE A 14 5.955 -19.247 10.267 1.00 0.00 C ATOM 127 CZ PHE A 14 6.226 -19.707 11.541 1.00 0.00 C ATOM 0 H PHE A 14 9.434 -20.030 6.179 1.00 0.00 H new ATOM 0 HA PHE A 14 10.780 -21.020 8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.227 -18.883 9.116 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.041 -18.767 7.831 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.538 -20.242 11.224 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.758 -18.785 8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.731 -20.428 12.878 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.948 -18.967 9.996 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.431 -19.786 12.268 1.00 0.00 H new ATOM 137 N VAL A 15 9.201 -22.801 9.221 1.00 0.00 N ATOM 138 CA VAL A 15 8.305 -23.887 9.598 1.00 0.00 C ATOM 139 C VAL A 15 7.754 -23.682 11.005 1.00 0.00 C ATOM 140 O VAL A 15 8.240 -22.836 11.755 1.00 0.00 O ATOM 141 CB VAL A 15 9.019 -25.251 9.533 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.015 -26.368 9.288 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.090 -25.240 8.453 1.00 0.00 C ATOM 0 H VAL A 15 10.138 -22.870 9.617 1.00 0.00 H new ATOM 0 HA VAL A 15 7.482 -23.881 8.884 1.00 0.00 H new ATOM 0 HB VAL A 15 9.504 -25.434 10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.537 -27.324 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.288 -26.388 10.100 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.500 -26.193 8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.584 -26.211 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.630 -25.035 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.824 -24.466 8.677 1.00 0.00 H new ATOM 153 N ARG A 16 6.737 -24.462 11.356 1.00 0.00 N ATOM 154 CA ARG A 16 6.119 -24.365 12.673 1.00 0.00 C ATOM 155 C ARG A 16 6.991 -25.032 13.733 1.00 0.00 C ATOM 156 O ARG A 16 7.967 -25.717 13.428 1.00 0.00 O ATOM 157 CB ARG A 16 4.732 -25.011 12.658 1.00 0.00 C ATOM 158 CG ARG A 16 3.592 -24.006 12.632 1.00 0.00 C ATOM 159 CD ARG A 16 2.402 -24.493 13.444 1.00 0.00 C ATOM 160 NE ARG A 16 2.085 -25.892 13.166 1.00 0.00 N ATOM 161 CZ ARG A 16 1.316 -26.640 13.948 1.00 0.00 C ATOM 162 NH1 ARG A 16 0.786 -26.127 15.050 1.00 0.00 N ATOM 163 NH2 ARG A 16 1.073 -27.905 13.628 1.00 0.00 N ATOM 0 H ARG A 16 6.324 -25.168 10.747 1.00 0.00 H new ATOM 0 HA ARG A 16 6.018 -23.309 12.922 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.652 -25.660 11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.626 -25.645 13.538 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.938 -23.051 13.028 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.283 -23.831 11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.615 -24.374 14.506 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.533 -23.873 13.221 1.00 0.00 H new ATOM 0 HE ARG A 16 2.476 -26.317 12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.969 -25.155 15.299 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.196 -26.705 15.649 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.477 -28.303 12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.482 -28.479 14.230 1.00 0.00 H new ATOM 177 N PRO A 17 6.632 -24.827 15.009 1.00 0.00 N ATOM 178 CA PRO A 17 7.368 -25.399 16.140 1.00 0.00 C ATOM 179 C PRO A 17 7.202 -26.912 16.234 1.00 0.00 C ATOM 180 O PRO A 17 6.085 -27.420 16.330 1.00 0.00 O ATOM 181 CB PRO A 17 6.737 -24.716 17.356 1.00 0.00 C ATOM 182 CG PRO A 17 5.366 -24.341 16.911 1.00 0.00 C ATOM 183 CD PRO A 17 5.479 -24.021 15.446 1.00 0.00 C ATOM 0 HA PRO A 17 8.442 -25.236 16.051 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.705 -25.387 18.214 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.309 -23.839 17.658 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.664 -25.158 17.079 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.995 -23.482 17.471 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.572 -24.290 14.905 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.646 -22.957 15.279 1.00 0.00 H new ATOM 191 N PHE A 18 8.321 -27.628 16.205 1.00 0.00 N ATOM 192 CA PHE A 18 8.300 -29.084 16.286 1.00 0.00 C ATOM 193 C PHE A 18 8.460 -29.551 17.730 1.00 0.00 C ATOM 194 O PHE A 18 8.969 -28.830 18.589 1.00 0.00 O ATOM 195 CB PHE A 18 9.410 -29.681 15.419 1.00 0.00 C ATOM 196 CG PHE A 18 9.245 -29.397 13.954 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.693 -28.205 13.410 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.640 -30.324 13.119 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.541 -27.941 12.062 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.485 -30.066 11.770 1.00 0.00 C ATOM 201 CZ PHE A 18 8.938 -28.873 11.241 1.00 0.00 C ATOM 0 H PHE A 18 9.254 -27.224 16.126 1.00 0.00 H new ATOM 0 HA PHE A 18 7.335 -29.429 15.916 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.371 -29.287 15.751 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.438 -30.760 15.571 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.167 -27.473 14.047 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.286 -31.259 13.528 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.894 -27.007 11.651 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.011 -30.796 11.131 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.821 -28.670 10.187 1.00 0.00 H new ATOM 211 N PRO A 19 8.015 -30.786 18.005 1.00 0.00 N ATOM 212 CA PRO A 19 8.097 -31.377 19.344 1.00 0.00 C ATOM 213 C PRO A 19 9.532 -31.698 19.748 1.00 0.00 C ATOM 214 O PRO A 19 10.484 -31.176 19.166 1.00 0.00 O ATOM 215 CB PRO A 19 7.277 -32.663 19.215 1.00 0.00 C ATOM 216 CG PRO A 19 7.341 -33.009 17.767 1.00 0.00 C ATOM 217 CD PRO A 19 7.397 -31.700 17.030 1.00 0.00 C ATOM 0 HA PRO A 19 7.730 -30.697 20.113 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.692 -33.461 19.831 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.248 -32.511 19.541 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.219 -33.617 17.550 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.469 -33.589 17.466 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.990 -31.777 16.119 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.404 -31.362 16.736 1.00 0.00 H new ATOM 225 N LEU A 20 9.681 -32.560 20.748 1.00 0.00 N ATOM 226 CA LEU A 20 11.001 -32.952 21.230 1.00 0.00 C ATOM 227 C LEU A 20 11.873 -33.453 20.083 1.00 0.00 C ATOM 228 O LEU A 20 13.099 -33.481 20.189 1.00 0.00 O ATOM 229 CB LEU A 20 10.873 -34.037 22.301 1.00 0.00 C ATOM 230 CG LEU A 20 10.134 -35.309 21.883 1.00 0.00 C ATOM 231 CD1 LEU A 20 11.117 -36.365 21.402 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.297 -35.843 23.036 1.00 0.00 C ATOM 0 H LEU A 20 8.904 -33.001 21.241 1.00 0.00 H new ATOM 0 HA LEU A 20 11.477 -32.074 21.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.874 -34.314 22.630 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.361 -33.610 23.163 1.00 0.00 H new ATOM 0 HG LEU A 20 9.465 -35.063 21.058 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.572 -37.263 21.109 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.672 -35.982 20.546 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.812 -36.608 22.206 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.778 -36.748 22.720 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.946 -36.073 23.881 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.566 -35.091 23.334 1.00 0.00 H new ATOM 244 N ASP A 21 11.232 -33.847 18.988 1.00 0.00 N ATOM 245 CA ASP A 21 11.949 -34.344 17.820 1.00 0.00 C ATOM 246 C ASP A 21 12.322 -33.199 16.883 1.00 0.00 C ATOM 247 O ASP A 21 12.538 -33.405 15.689 1.00 0.00 O ATOM 248 CB ASP A 21 11.100 -35.374 17.073 1.00 0.00 C ATOM 249 CG ASP A 21 10.795 -36.595 17.919 1.00 0.00 C ATOM 250 OD1 ASP A 21 11.747 -37.315 18.286 1.00 0.00 O ATOM 251 OD2 ASP A 21 9.605 -36.829 18.214 1.00 0.00 O ATOM 0 H ASP A 21 10.217 -33.832 18.885 1.00 0.00 H new ATOM 0 HA ASP A 21 12.866 -34.822 18.164 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.165 -34.911 16.758 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.622 -35.684 16.168 1.00 0.00 H new ATOM 256 N VAL A 22 12.394 -31.991 17.433 1.00 0.00 N ATOM 257 CA VAL A 22 12.740 -30.812 16.647 1.00 0.00 C ATOM 258 C VAL A 22 14.235 -30.770 16.350 1.00 0.00 C ATOM 259 O VAL A 22 15.016 -30.218 17.124 1.00 0.00 O ATOM 260 CB VAL A 22 12.335 -29.515 17.372 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.883 -29.503 18.791 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.817 -28.299 16.596 1.00 0.00 C ATOM 0 H VAL A 22 12.217 -31.803 18.420 1.00 0.00 H new ATOM 0 HA VAL A 22 12.188 -30.883 15.710 1.00 0.00 H new ATOM 0 HB VAL A 22 11.247 -29.475 17.428 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.587 -28.579 19.288 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.485 -30.355 19.342 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.971 -29.566 18.762 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.522 -27.391 17.122 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.903 -28.331 16.508 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.372 -28.302 15.601 1.00 0.00 H new ATOM 272 N GLN A 23 14.625 -31.356 15.223 1.00 0.00 N ATOM 273 CA GLN A 23 16.027 -31.385 14.823 1.00 0.00 C ATOM 274 C GLN A 23 16.162 -31.341 13.304 1.00 0.00 C ATOM 275 O GLN A 23 15.194 -31.570 12.580 1.00 0.00 O ATOM 276 CB GLN A 23 16.710 -32.640 15.371 1.00 0.00 C ATOM 277 CG GLN A 23 16.034 -33.934 14.948 1.00 0.00 C ATOM 278 CD GLN A 23 16.524 -35.133 15.735 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.911 -36.152 15.161 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.511 -35.019 17.058 1.00 0.00 N ATOM 0 H GLN A 23 13.990 -31.817 14.571 1.00 0.00 H new ATOM 0 HA GLN A 23 16.515 -30.503 15.238 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.747 -32.655 15.036 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.728 -32.588 16.460 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.956 -33.835 15.077 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.214 -34.103 13.886 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.182 -34.157 17.492 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.830 -35.794 17.640 1.00 0.00 H new ATOM 289 N GLU A 24 17.368 -31.045 12.830 1.00 0.00 N ATOM 290 CA GLU A 24 17.627 -30.970 11.397 1.00 0.00 C ATOM 291 C GLU A 24 17.408 -32.326 10.733 1.00 0.00 C ATOM 292 O GLU A 24 17.224 -32.412 9.519 1.00 0.00 O ATOM 293 CB GLU A 24 19.057 -30.489 11.140 1.00 0.00 C ATOM 294 CG GLU A 24 20.122 -31.471 11.597 1.00 0.00 C ATOM 295 CD GLU A 24 21.494 -31.145 11.042 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.893 -29.963 11.105 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.169 -32.070 10.544 1.00 0.00 O ATOM 0 H GLU A 24 18.180 -30.853 13.417 1.00 0.00 H new ATOM 0 HA GLU A 24 16.927 -30.256 10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.182 -30.301 10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.209 -29.538 11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.166 -31.472 12.686 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.839 -32.477 11.288 1.00 0.00 H new ATOM 304 N SER A 25 17.430 -33.384 11.538 1.00 0.00 N ATOM 305 CA SER A 25 17.239 -34.736 11.029 1.00 0.00 C ATOM 306 C SER A 25 15.918 -34.850 10.274 1.00 0.00 C ATOM 307 O SER A 25 15.884 -35.285 9.123 1.00 0.00 O ATOM 308 CB SER A 25 17.271 -35.746 12.178 1.00 0.00 C ATOM 309 OG SER A 25 17.527 -37.055 11.699 1.00 0.00 O ATOM 0 H SER A 25 17.578 -33.330 12.546 1.00 0.00 H new ATOM 0 HA SER A 25 18.053 -34.956 10.338 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.040 -35.461 12.896 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.319 -35.729 12.708 1.00 0.00 H new ATOM 0 HG SER A 25 17.544 -37.681 12.452 1.00 0.00 H new ATOM 315 N GLU A 26 14.832 -34.456 10.931 1.00 0.00 N ATOM 316 CA GLU A 26 13.508 -34.515 10.322 1.00 0.00 C ATOM 317 C GLU A 26 13.395 -33.523 9.168 1.00 0.00 C ATOM 318 O GLU A 26 12.750 -33.802 8.156 1.00 0.00 O ATOM 319 CB GLU A 26 12.428 -34.224 11.367 1.00 0.00 C ATOM 320 CG GLU A 26 12.713 -32.991 12.208 1.00 0.00 C ATOM 321 CD GLU A 26 11.447 -32.296 12.672 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.539 -32.100 11.837 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.365 -31.949 13.868 1.00 0.00 O ATOM 0 H GLU A 26 14.843 -34.093 11.884 1.00 0.00 H new ATOM 0 HA GLU A 26 13.362 -35.521 9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.471 -34.096 10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.328 -35.087 12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.305 -33.277 13.077 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.315 -32.292 11.628 1.00 0.00 H new ATOM 330 N LEU A 27 14.026 -32.365 9.327 1.00 0.00 N ATOM 331 CA LEU A 27 13.997 -31.331 8.299 1.00 0.00 C ATOM 332 C LEU A 27 14.732 -31.790 7.044 1.00 0.00 C ATOM 333 O LEU A 27 14.354 -31.437 5.928 1.00 0.00 O ATOM 334 CB LEU A 27 14.626 -30.041 8.829 1.00 0.00 C ATOM 335 CG LEU A 27 13.981 -29.444 10.081 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.100 -27.928 10.072 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.522 -29.866 10.182 1.00 0.00 C ATOM 0 H LEU A 27 14.564 -32.119 10.158 1.00 0.00 H new ATOM 0 HA LEU A 27 12.956 -31.141 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.677 -30.234 9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.595 -29.293 8.037 1.00 0.00 H new ATOM 0 HG LEU A 27 14.510 -29.824 10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.636 -27.521 10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.153 -27.646 10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.597 -27.529 9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.079 -29.432 11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.980 -29.516 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.461 -30.953 10.236 1.00 0.00 H new ATOM 349 N ASN A 28 15.783 -32.580 7.235 1.00 0.00 N ATOM 350 CA ASN A 28 16.570 -33.089 6.118 1.00 0.00 C ATOM 351 C ASN A 28 15.815 -34.188 5.376 1.00 0.00 C ATOM 352 O ASN A 28 15.769 -34.202 4.147 1.00 0.00 O ATOM 353 CB ASN A 28 17.914 -33.625 6.616 1.00 0.00 C ATOM 354 CG ASN A 28 19.027 -32.603 6.490 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.871 -32.694 5.599 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.032 -31.622 7.386 1.00 0.00 N ATOM 0 H ASN A 28 16.110 -32.882 8.153 1.00 0.00 H new ATOM 0 HA ASN A 28 16.748 -32.265 5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.818 -33.926 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.178 -34.518 6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.756 -30.904 7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.312 -31.587 8.107 1.00 0.00 H new ATOM 363 N GLU A 29 15.223 -35.106 6.134 1.00 0.00 N ATOM 364 CA GLU A 29 14.470 -36.209 5.548 1.00 0.00 C ATOM 365 C GLU A 29 13.143 -35.718 4.976 1.00 0.00 C ATOM 366 O GLU A 29 12.534 -36.381 4.135 1.00 0.00 O ATOM 367 CB GLU A 29 14.216 -37.296 6.594 1.00 0.00 C ATOM 368 CG GLU A 29 13.125 -36.938 7.591 1.00 0.00 C ATOM 369 CD GLU A 29 12.973 -37.976 8.686 1.00 0.00 C ATOM 370 OE1 GLU A 29 13.980 -38.632 9.024 1.00 0.00 O ATOM 371 OE2 GLU A 29 11.848 -38.131 9.205 1.00 0.00 O ATOM 0 H GLU A 29 15.250 -35.108 7.154 1.00 0.00 H new ATOM 0 HA GLU A 29 15.063 -36.629 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.943 -38.221 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.142 -37.491 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.352 -35.971 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.177 -36.830 7.064 1.00 0.00 H new ATOM 378 N ILE A 30 12.701 -34.554 5.439 1.00 0.00 N ATOM 379 CA ILE A 30 11.447 -33.974 4.973 1.00 0.00 C ATOM 380 C ILE A 30 11.679 -33.038 3.792 1.00 0.00 C ATOM 381 O ILE A 30 11.109 -33.224 2.717 1.00 0.00 O ATOM 382 CB ILE A 30 10.735 -33.197 6.097 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.130 -34.168 7.113 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.659 -32.293 5.515 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.804 -33.525 8.443 1.00 0.00 C ATOM 0 H ILE A 30 13.192 -33.994 6.136 1.00 0.00 H new ATOM 0 HA ILE A 30 10.814 -34.803 4.657 1.00 0.00 H new ATOM 0 HB ILE A 30 11.468 -32.574 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.221 -34.599 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.827 -34.990 7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.165 -31.750 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.115 -31.582 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.926 -32.897 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.379 -34.272 9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.714 -33.118 8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.084 -32.721 8.292 1.00 0.00 H new ATOM 397 N PHE A 31 12.522 -32.031 3.998 1.00 0.00 N ATOM 398 CA PHE A 31 12.831 -31.066 2.950 1.00 0.00 C ATOM 399 C PHE A 31 13.913 -31.603 2.017 1.00 0.00 C ATOM 400 O PHE A 31 14.305 -30.942 1.057 1.00 0.00 O ATOM 401 CB PHE A 31 13.286 -29.741 3.566 1.00 0.00 C ATOM 402 CG PHE A 31 12.202 -29.029 4.323 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.760 -29.511 5.545 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.625 -27.876 3.814 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.762 -28.858 6.243 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.627 -27.219 4.509 1.00 0.00 C ATOM 407 CZ PHE A 31 10.196 -27.710 5.725 1.00 0.00 C ATOM 0 H PHE A 31 13.003 -31.862 4.881 1.00 0.00 H new ATOM 0 HA PHE A 31 11.925 -30.897 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.123 -29.930 4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.654 -29.089 2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.201 -30.407 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.959 -27.487 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.425 -29.245 7.193 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.185 -26.322 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.417 -27.197 6.270 1.00 0.00 H new ATOM 417 N GLY A 32 14.391 -32.809 2.308 1.00 0.00 N ATOM 418 CA GLY A 32 15.422 -33.416 1.487 1.00 0.00 C ATOM 419 C GLY A 32 15.031 -33.489 0.024 1.00 0.00 C ATOM 420 O GLY A 32 15.701 -32.935 -0.847 1.00 0.00 O ATOM 0 H GLY A 32 14.083 -33.376 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.344 -32.843 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.630 -34.421 1.855 1.00 0.00 H new ATOM 424 N PRO A 33 13.923 -34.187 -0.262 1.00 0.00 N ATOM 425 CA PRO A 33 13.419 -34.348 -1.629 1.00 0.00 C ATOM 426 C PRO A 33 12.865 -33.047 -2.199 1.00 0.00 C ATOM 427 O PRO A 33 11.690 -32.965 -2.558 1.00 0.00 O ATOM 428 CB PRO A 33 12.303 -35.383 -1.477 1.00 0.00 C ATOM 429 CG PRO A 33 11.852 -35.249 -0.063 1.00 0.00 C ATOM 430 CD PRO A 33 13.075 -34.873 0.727 1.00 0.00 C ATOM 0 HA PRO A 33 14.206 -34.649 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.487 -35.190 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.666 -36.390 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.078 -34.487 0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.424 -36.183 0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.827 -34.221 1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.571 -35.751 1.142 1.00 0.00 H new ATOM 438 N PHE A 34 13.718 -32.031 -2.281 1.00 0.00 N ATOM 439 CA PHE A 34 13.313 -30.733 -2.807 1.00 0.00 C ATOM 440 C PHE A 34 14.491 -30.020 -3.465 1.00 0.00 C ATOM 441 O PHE A 34 14.348 -29.404 -4.520 1.00 0.00 O ATOM 442 CB PHE A 34 12.736 -29.862 -1.689 1.00 0.00 C ATOM 443 CG PHE A 34 11.312 -30.195 -1.344 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.382 -30.435 -2.343 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.904 -30.269 -0.022 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.071 -30.741 -2.029 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.595 -30.574 0.298 1.00 0.00 C ATOM 448 CZ PHE A 34 8.677 -30.812 -0.706 1.00 0.00 C ATOM 0 H PHE A 34 14.694 -32.082 -1.990 1.00 0.00 H new ATOM 0 HA PHE A 34 12.544 -30.900 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.353 -29.973 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.794 -28.815 -1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.685 -30.382 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.618 -30.086 0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.355 -30.924 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.290 -30.626 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.654 -31.053 -0.458 1.00 0.00 H new ATOM 458 N GLY A 35 15.657 -30.109 -2.831 1.00 0.00 N ATOM 459 CA GLY A 35 16.844 -29.469 -3.368 1.00 0.00 C ATOM 460 C GLY A 35 17.957 -29.361 -2.345 1.00 0.00 C ATOM 461 O GLY A 35 17.794 -29.719 -1.178 1.00 0.00 O ATOM 0 H GLY A 35 15.800 -30.613 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.200 -30.034 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.585 -28.472 -3.726 1.00 0.00 H new ATOM 465 N PRO A 36 19.121 -28.858 -2.782 1.00 0.00 N ATOM 466 CA PRO A 36 20.289 -28.693 -1.912 1.00 0.00 C ATOM 467 C PRO A 36 20.090 -27.592 -0.876 1.00 0.00 C ATOM 468 O PRO A 36 20.313 -26.415 -1.158 1.00 0.00 O ATOM 469 CB PRO A 36 21.407 -28.315 -2.886 1.00 0.00 C ATOM 470 CG PRO A 36 20.706 -27.698 -4.047 1.00 0.00 C ATOM 471 CD PRO A 36 19.386 -28.411 -4.160 1.00 0.00 C ATOM 0 HA PRO A 36 20.496 -29.593 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.109 -27.617 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.980 -29.191 -3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.560 -26.629 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.290 -27.811 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.601 -27.749 -4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.441 -29.252 -4.852 1.00 0.00 H new ATOM 479 N MET A 37 19.668 -27.982 0.322 1.00 0.00 N ATOM 480 CA MET A 37 19.441 -27.026 1.400 1.00 0.00 C ATOM 481 C MET A 37 20.731 -26.297 1.762 1.00 0.00 C ATOM 482 O MET A 37 21.650 -26.886 2.333 1.00 0.00 O ATOM 483 CB MET A 37 18.881 -27.739 2.633 1.00 0.00 C ATOM 484 CG MET A 37 17.644 -28.573 2.343 1.00 0.00 C ATOM 485 SD MET A 37 17.690 -30.186 3.147 1.00 0.00 S ATOM 486 CE MET A 37 17.097 -29.766 4.784 1.00 0.00 C ATOM 0 H MET A 37 19.476 -28.952 0.571 1.00 0.00 H new ATOM 0 HA MET A 37 18.715 -26.291 1.053 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.654 -28.384 3.052 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.639 -26.996 3.393 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.759 -28.031 2.675 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.548 -28.711 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.836 -30.066 5.527 1.00 0.00 H new ATOM 0 HE2 MET A 37 16.935 -28.690 4.847 1.00 0.00 H new ATOM 0 HE3 MET A 37 16.159 -30.286 4.976 1.00 0.00 H new ATOM 496 N LYS A 38 20.795 -25.013 1.426 1.00 0.00 N ATOM 497 CA LYS A 38 21.972 -24.203 1.716 1.00 0.00 C ATOM 498 C LYS A 38 22.241 -24.152 3.216 1.00 0.00 C ATOM 499 O LYS A 38 23.393 -24.128 3.648 1.00 0.00 O ATOM 500 CB LYS A 38 21.786 -22.785 1.172 1.00 0.00 C ATOM 501 CG LYS A 38 22.895 -21.829 1.576 1.00 0.00 C ATOM 502 CD LYS A 38 24.239 -22.264 1.017 1.00 0.00 C ATOM 503 CE LYS A 38 24.348 -21.962 -0.470 1.00 0.00 C ATOM 504 NZ LYS A 38 24.812 -20.569 -0.720 1.00 0.00 N ATOM 0 H LYS A 38 20.044 -24.511 0.952 1.00 0.00 H new ATOM 0 HA LYS A 38 22.830 -24.664 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.732 -22.826 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.832 -22.392 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.659 -20.826 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 38 22.952 -21.776 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.039 -21.754 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.375 -23.333 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.041 -22.664 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.378 -22.112 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 24.873 -20.402 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.138 -19.898 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 25.749 -20.433 -0.290 1.00 0.00 H new ATOM 518 N GLU A 39 21.171 -24.137 4.005 1.00 0.00 N ATOM 519 CA GLU A 39 21.294 -24.090 5.457 1.00 0.00 C ATOM 520 C GLU A 39 19.988 -24.506 6.127 1.00 0.00 C ATOM 521 O GLU A 39 18.943 -24.586 5.481 1.00 0.00 O ATOM 522 CB GLU A 39 21.689 -22.684 5.912 1.00 0.00 C ATOM 523 CG GLU A 39 22.889 -22.660 6.843 1.00 0.00 C ATOM 524 CD GLU A 39 24.099 -23.359 6.254 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.855 -22.706 5.505 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.290 -24.559 6.543 1.00 0.00 O ATOM 0 H GLU A 39 20.210 -24.157 3.663 1.00 0.00 H new ATOM 0 HA GLU A 39 22.074 -24.792 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.908 -22.076 5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.840 -22.222 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 39 23.147 -21.626 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.622 -23.137 7.786 1.00 0.00 H new ATOM 533 N VAL A 40 20.055 -24.769 7.429 1.00 0.00 N ATOM 534 CA VAL A 40 18.878 -25.176 8.188 1.00 0.00 C ATOM 535 C VAL A 40 18.937 -24.648 9.617 1.00 0.00 C ATOM 536 O VAL A 40 20.015 -24.505 10.194 1.00 0.00 O ATOM 537 CB VAL A 40 18.736 -26.709 8.225 1.00 0.00 C ATOM 538 CG1 VAL A 40 18.155 -27.223 6.916 1.00 0.00 C ATOM 539 CG2 VAL A 40 20.080 -27.362 8.513 1.00 0.00 C ATOM 0 H VAL A 40 20.911 -24.707 7.980 1.00 0.00 H new ATOM 0 HA VAL A 40 18.012 -24.751 7.681 1.00 0.00 H new ATOM 0 HB VAL A 40 18.049 -26.973 9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.062 -28.308 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 40 17.172 -26.781 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.815 -26.949 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.961 -28.445 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.791 -27.091 7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.452 -27.018 9.478 1.00 0.00 H new ATOM 549 N LYS A 41 17.770 -24.359 10.183 1.00 0.00 N ATOM 550 CA LYS A 41 17.687 -23.848 11.546 1.00 0.00 C ATOM 551 C LYS A 41 16.497 -24.455 12.283 1.00 0.00 C ATOM 552 O LYS A 41 15.376 -24.458 11.774 1.00 0.00 O ATOM 553 CB LYS A 41 17.568 -22.322 11.535 1.00 0.00 C ATOM 554 CG LYS A 41 18.473 -21.650 10.517 1.00 0.00 C ATOM 555 CD LYS A 41 17.784 -21.499 9.171 1.00 0.00 C ATOM 556 CE LYS A 41 17.421 -20.049 8.891 1.00 0.00 C ATOM 557 NZ LYS A 41 18.628 -19.213 8.640 1.00 0.00 N ATOM 0 H LYS A 41 16.869 -24.470 9.719 1.00 0.00 H new ATOM 0 HA LYS A 41 18.600 -24.131 12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.534 -22.048 11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.805 -21.940 12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.771 -20.669 10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.384 -22.236 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.438 -21.870 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.882 -22.111 9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.760 -20.001 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.868 -19.643 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.345 -18.325 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.097 -19.000 9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.286 -19.730 8.022 1.00 0.00 H new ATOM 571 N ILE A 42 16.748 -24.966 13.484 1.00 0.00 N ATOM 572 CA ILE A 42 15.697 -25.573 14.290 1.00 0.00 C ATOM 573 C ILE A 42 15.765 -25.091 15.735 1.00 0.00 C ATOM 574 O ILE A 42 16.681 -25.448 16.478 1.00 0.00 O ATOM 575 CB ILE A 42 15.787 -27.110 14.269 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.245 -27.555 14.131 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.946 -27.674 13.134 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.689 -27.732 12.696 1.00 0.00 C ATOM 0 H ILE A 42 17.670 -24.971 13.920 1.00 0.00 H new ATOM 0 HA ILE A 42 14.747 -25.267 13.851 1.00 0.00 H new ATOM 0 HB ILE A 42 15.396 -27.495 15.211 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.888 -26.819 14.614 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.381 -28.496 14.664 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.020 -28.761 13.132 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.905 -27.381 13.272 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.310 -27.284 12.183 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.732 -28.048 12.674 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.070 -28.489 12.214 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.585 -26.786 12.164 1.00 0.00 H new ATOM 590 N LEU A 43 14.790 -24.279 16.129 1.00 0.00 N ATOM 591 CA LEU A 43 14.738 -23.748 17.487 1.00 0.00 C ATOM 592 C LEU A 43 13.410 -24.091 18.155 1.00 0.00 C ATOM 593 O LEU A 43 12.370 -24.142 17.500 1.00 0.00 O ATOM 594 CB LEU A 43 14.937 -22.232 17.471 1.00 0.00 C ATOM 595 CG LEU A 43 16.119 -21.718 16.648 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.851 -20.305 16.154 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.400 -21.765 17.468 1.00 0.00 C ATOM 0 H LEU A 43 14.025 -23.974 15.528 1.00 0.00 H new ATOM 0 HA LEU A 43 15.542 -24.208 18.061 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.026 -21.770 17.089 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.060 -21.891 18.499 1.00 0.00 H new ATOM 0 HG LEU A 43 16.243 -22.366 15.781 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.703 -19.956 15.570 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.957 -20.301 15.530 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.700 -19.644 17.007 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.231 -21.396 16.867 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.288 -21.140 18.354 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.600 -22.793 17.771 1.00 0.00 H new ATOM 609 N ASN A 44 13.454 -24.324 19.463 1.00 0.00 N ATOM 610 CA ASN A 44 12.254 -24.661 20.220 1.00 0.00 C ATOM 611 C ASN A 44 11.229 -23.534 20.144 1.00 0.00 C ATOM 612 O ASN A 44 11.266 -22.593 20.936 1.00 0.00 O ATOM 613 CB ASN A 44 12.610 -24.945 21.680 1.00 0.00 C ATOM 614 CG ASN A 44 13.518 -26.150 21.831 1.00 0.00 C ATOM 615 OD1 ASN A 44 14.693 -26.017 22.174 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.977 -27.335 21.573 1.00 0.00 N ATOM 0 H ASN A 44 14.307 -24.286 20.020 1.00 0.00 H new ATOM 0 HA ASN A 44 11.816 -25.557 19.780 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.098 -24.070 22.109 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.695 -25.110 22.249 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.540 -28.182 21.656 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.999 -27.399 21.292 1.00 0.00 H new ATOM 623 N GLY A 45 10.313 -23.637 19.186 1.00 0.00 N ATOM 624 CA GLY A 45 9.290 -22.620 19.025 1.00 0.00 C ATOM 625 C GLY A 45 9.088 -22.226 17.575 1.00 0.00 C ATOM 626 O GLY A 45 8.028 -21.721 17.203 1.00 0.00 O ATOM 0 H GLY A 45 10.261 -24.406 18.518 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.349 -22.988 19.433 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.565 -21.738 19.603 1.00 0.00 H new ATOM 630 N PHE A 46 10.107 -22.455 16.753 1.00 0.00 N ATOM 631 CA PHE A 46 10.037 -22.118 15.336 1.00 0.00 C ATOM 632 C PHE A 46 11.185 -22.764 14.566 1.00 0.00 C ATOM 633 O PHE A 46 12.257 -23.011 15.119 1.00 0.00 O ATOM 634 CB PHE A 46 10.074 -20.600 15.149 1.00 0.00 C ATOM 635 CG PHE A 46 10.725 -19.871 16.289 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.046 -20.122 16.624 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.018 -18.934 17.025 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.648 -19.453 17.673 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.615 -18.262 18.075 1.00 0.00 C ATOM 640 CZ PHE A 46 11.932 -18.521 18.399 1.00 0.00 C ATOM 0 H PHE A 46 10.991 -22.873 17.044 1.00 0.00 H new ATOM 0 HA PHE A 46 9.096 -22.503 14.943 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.609 -20.368 14.228 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.055 -20.232 15.027 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.611 -20.848 16.059 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.988 -18.726 16.775 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.678 -19.659 17.925 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.052 -17.535 18.641 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.401 -17.996 19.218 1.00 0.00 H new ATOM 650 N ALA A 47 10.952 -23.037 13.287 1.00 0.00 N ATOM 651 CA ALA A 47 11.966 -23.653 12.440 1.00 0.00 C ATOM 652 C ALA A 47 12.174 -22.850 11.160 1.00 0.00 C ATOM 653 O ALA A 47 11.295 -22.100 10.736 1.00 0.00 O ATOM 654 CB ALA A 47 11.577 -25.086 12.109 1.00 0.00 C ATOM 0 H ALA A 47 10.070 -22.841 12.814 1.00 0.00 H new ATOM 0 HA ALA A 47 12.907 -23.661 12.990 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.343 -25.534 11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.486 -25.661 13.031 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.622 -25.092 11.583 1.00 0.00 H new ATOM 660 N PHE A 48 13.343 -23.012 10.549 1.00 0.00 N ATOM 661 CA PHE A 48 13.667 -22.301 9.318 1.00 0.00 C ATOM 662 C PHE A 48 14.587 -23.137 8.433 1.00 0.00 C ATOM 663 O PHE A 48 15.437 -23.878 8.927 1.00 0.00 O ATOM 664 CB PHE A 48 14.330 -20.959 9.638 1.00 0.00 C ATOM 665 CG PHE A 48 13.611 -20.173 10.697 1.00 0.00 C ATOM 666 CD1 PHE A 48 13.870 -20.395 12.040 1.00 0.00 C ATOM 667 CD2 PHE A 48 12.676 -19.211 10.349 1.00 0.00 C ATOM 668 CE1 PHE A 48 13.209 -19.674 13.016 1.00 0.00 C ATOM 669 CE2 PHE A 48 12.012 -18.486 11.321 1.00 0.00 C ATOM 670 CZ PHE A 48 12.280 -18.717 12.656 1.00 0.00 C ATOM 0 H PHE A 48 14.082 -23.629 10.886 1.00 0.00 H new ATOM 0 HA PHE A 48 12.738 -22.120 8.778 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.355 -21.137 9.962 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.383 -20.363 8.727 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.597 -21.140 12.327 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.464 -19.026 9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.418 -19.858 14.059 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.285 -17.740 11.037 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.764 -18.150 13.417 1.00 0.00 H new ATOM 680 N VAL A 49 14.411 -23.012 7.121 1.00 0.00 N ATOM 681 CA VAL A 49 15.224 -23.754 6.166 1.00 0.00 C ATOM 682 C VAL A 49 15.575 -22.894 4.957 1.00 0.00 C ATOM 683 O VAL A 49 14.691 -22.400 4.258 1.00 0.00 O ATOM 684 CB VAL A 49 14.502 -25.027 5.685 1.00 0.00 C ATOM 685 CG1 VAL A 49 13.165 -24.676 5.051 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.378 -25.799 4.709 1.00 0.00 C ATOM 0 H VAL A 49 13.712 -22.403 6.696 1.00 0.00 H new ATOM 0 HA VAL A 49 16.140 -24.038 6.684 1.00 0.00 H new ATOM 0 HB VAL A 49 14.311 -25.664 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.670 -25.588 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.537 -24.169 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.329 -24.019 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.853 -26.695 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.602 -25.172 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.308 -26.084 5.201 1.00 0.00 H new ATOM 696 N GLU A 50 16.871 -22.721 4.717 1.00 0.00 N ATOM 697 CA GLU A 50 17.338 -21.920 3.592 1.00 0.00 C ATOM 698 C GLU A 50 17.847 -22.812 2.463 1.00 0.00 C ATOM 699 O GLU A 50 18.891 -23.453 2.587 1.00 0.00 O ATOM 700 CB GLU A 50 18.446 -20.965 4.042 1.00 0.00 C ATOM 701 CG GLU A 50 19.027 -20.132 2.913 1.00 0.00 C ATOM 702 CD GLU A 50 19.749 -18.895 3.412 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.715 -18.642 4.634 1.00 0.00 O ATOM 704 OE2 GLU A 50 20.347 -18.180 2.581 1.00 0.00 O ATOM 0 H GLU A 50 17.615 -23.124 5.286 1.00 0.00 H new ATOM 0 HA GLU A 50 16.496 -21.337 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.050 -20.298 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.246 -21.543 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.719 -20.744 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.225 -19.833 2.238 1.00 0.00 H new ATOM 711 N PHE A 51 17.103 -22.847 1.363 1.00 0.00 N ATOM 712 CA PHE A 51 17.477 -23.661 0.213 1.00 0.00 C ATOM 713 C PHE A 51 18.502 -22.937 -0.656 1.00 0.00 C ATOM 714 O PHE A 51 18.517 -21.708 -0.720 1.00 0.00 O ATOM 715 CB PHE A 51 16.240 -24.006 -0.619 1.00 0.00 C ATOM 716 CG PHE A 51 15.570 -25.282 -0.196 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.162 -26.509 -0.453 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.349 -25.256 0.458 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.548 -27.685 -0.064 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.731 -26.428 0.849 1.00 0.00 C ATOM 721 CZ PHE A 51 14.331 -27.645 0.586 1.00 0.00 C ATOM 0 H PHE A 51 16.237 -22.321 1.244 1.00 0.00 H new ATOM 0 HA PHE A 51 17.926 -24.583 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.524 -23.188 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.528 -24.086 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.113 -26.547 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.875 -24.308 0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.020 -28.634 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.780 -26.393 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.849 -28.563 0.888 1.00 0.00 H new ATOM 731 N GLU A 52 19.356 -23.708 -1.321 1.00 0.00 N ATOM 732 CA GLU A 52 20.385 -23.140 -2.184 1.00 0.00 C ATOM 733 C GLU A 52 19.801 -22.742 -3.536 1.00 0.00 C ATOM 734 O GLU A 52 20.516 -22.260 -4.414 1.00 0.00 O ATOM 735 CB GLU A 52 21.525 -24.141 -2.382 1.00 0.00 C ATOM 736 CG GLU A 52 22.748 -23.544 -3.059 1.00 0.00 C ATOM 737 CD GLU A 52 24.039 -24.212 -2.625 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.968 -25.233 -1.911 1.00 0.00 O ATOM 739 OE2 GLU A 52 25.120 -23.712 -3.001 1.00 0.00 O ATOM 0 H GLU A 52 19.356 -24.727 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 52 20.777 -22.246 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.817 -24.543 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.163 -24.979 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.641 -23.636 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.800 -22.479 -2.833 1.00 0.00 H new ATOM 746 N GLU A 53 18.498 -22.949 -3.696 1.00 0.00 N ATOM 747 CA GLU A 53 17.819 -22.613 -4.942 1.00 0.00 C ATOM 748 C GLU A 53 16.431 -22.041 -4.668 1.00 0.00 C ATOM 749 O GLU A 53 15.619 -22.657 -3.978 1.00 0.00 O ATOM 750 CB GLU A 53 17.705 -23.850 -5.836 1.00 0.00 C ATOM 751 CG GLU A 53 18.888 -24.035 -6.772 1.00 0.00 C ATOM 752 CD GLU A 53 19.124 -22.829 -7.659 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.146 -22.112 -7.957 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.286 -22.602 -8.056 1.00 0.00 O ATOM 0 H GLU A 53 17.892 -23.347 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 53 18.411 -21.855 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.608 -24.735 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.792 -23.778 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.785 -24.230 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.719 -24.913 -7.396 1.00 0.00 H new ATOM 761 N ALA A 54 16.167 -20.858 -5.214 1.00 0.00 N ATOM 762 CA ALA A 54 14.878 -20.203 -5.030 1.00 0.00 C ATOM 763 C ALA A 54 13.729 -21.145 -5.374 1.00 0.00 C ATOM 764 O ALA A 54 12.741 -21.225 -4.646 1.00 0.00 O ATOM 765 CB ALA A 54 14.802 -18.942 -5.878 1.00 0.00 C ATOM 0 H ALA A 54 16.829 -20.334 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 54 14.784 -19.928 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.834 -18.463 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.595 -18.256 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.922 -19.203 -6.930 1.00 0.00 H new ATOM 771 N GLU A 55 13.866 -21.855 -6.490 1.00 0.00 N ATOM 772 CA GLU A 55 12.838 -22.790 -6.931 1.00 0.00 C ATOM 773 C GLU A 55 12.544 -23.825 -5.849 1.00 0.00 C ATOM 774 O GLU A 55 11.389 -24.047 -5.484 1.00 0.00 O ATOM 775 CB GLU A 55 13.274 -23.492 -8.219 1.00 0.00 C ATOM 776 CG GLU A 55 12.148 -24.237 -8.916 1.00 0.00 C ATOM 777 CD GLU A 55 12.508 -24.645 -10.332 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.454 -25.443 -10.498 1.00 0.00 O ATOM 779 OE2 GLU A 55 11.843 -24.165 -11.274 1.00 0.00 O ATOM 0 H GLU A 55 14.678 -21.800 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 55 11.927 -22.224 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.688 -22.752 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.075 -24.195 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.894 -25.126 -8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.259 -23.606 -8.938 1.00 0.00 H new ATOM 786 N SER A 56 13.597 -24.456 -5.340 1.00 0.00 N ATOM 787 CA SER A 56 13.453 -25.471 -4.303 1.00 0.00 C ATOM 788 C SER A 56 12.700 -24.914 -3.099 1.00 0.00 C ATOM 789 O SER A 56 11.846 -25.586 -2.522 1.00 0.00 O ATOM 790 CB SER A 56 14.827 -25.984 -3.868 1.00 0.00 C ATOM 791 OG SER A 56 15.394 -26.825 -4.858 1.00 0.00 O ATOM 0 H SER A 56 14.560 -24.282 -5.629 1.00 0.00 H new ATOM 0 HA SER A 56 12.878 -26.300 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.491 -25.140 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.734 -26.532 -2.930 1.00 0.00 H new ATOM 0 HG SER A 56 14.961 -27.703 -4.828 1.00 0.00 H new ATOM 797 N ALA A 57 13.025 -23.681 -2.725 1.00 0.00 N ATOM 798 CA ALA A 57 12.379 -23.031 -1.591 1.00 0.00 C ATOM 799 C ALA A 57 10.915 -22.728 -1.893 1.00 0.00 C ATOM 800 O ALA A 57 10.022 -23.124 -1.145 1.00 0.00 O ATOM 801 CB ALA A 57 13.120 -21.755 -1.222 1.00 0.00 C ATOM 0 H ALA A 57 13.732 -23.112 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 57 12.413 -23.715 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.627 -21.280 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.149 -21.996 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.116 -21.073 -2.072 1.00 0.00 H new ATOM 807 N ALA A 58 10.677 -22.021 -2.993 1.00 0.00 N ATOM 808 CA ALA A 58 9.322 -21.666 -3.394 1.00 0.00 C ATOM 809 C ALA A 58 8.446 -22.907 -3.530 1.00 0.00 C ATOM 810 O ALA A 58 7.228 -22.842 -3.359 1.00 0.00 O ATOM 811 CB ALA A 58 9.345 -20.888 -4.702 1.00 0.00 C ATOM 0 H ALA A 58 11.405 -21.683 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 58 8.893 -21.035 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.326 -20.629 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.928 -19.976 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.798 -21.501 -5.482 1.00 0.00 H new ATOM 817 N LYS A 59 9.073 -24.037 -3.838 1.00 0.00 N ATOM 818 CA LYS A 59 8.351 -25.294 -3.997 1.00 0.00 C ATOM 819 C LYS A 59 8.070 -25.934 -2.641 1.00 0.00 C ATOM 820 O LYS A 59 6.932 -26.292 -2.338 1.00 0.00 O ATOM 821 CB LYS A 59 9.154 -26.259 -4.872 1.00 0.00 C ATOM 822 CG LYS A 59 8.977 -26.020 -6.361 1.00 0.00 C ATOM 823 CD LYS A 59 7.598 -26.446 -6.835 1.00 0.00 C ATOM 824 CE LYS A 59 7.185 -25.699 -8.094 1.00 0.00 C ATOM 825 NZ LYS A 59 5.905 -26.216 -8.652 1.00 0.00 N ATOM 0 H LYS A 59 10.080 -24.108 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 59 7.399 -25.080 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.211 -26.170 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.856 -27.281 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.128 -24.963 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.738 -26.572 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.594 -27.518 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.868 -26.263 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.080 -24.638 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.971 -25.789 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.659 -25.681 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.012 -27.222 -8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.149 -26.106 -7.946 1.00 0.00 H new ATOM 839 N ALA A 60 9.113 -26.073 -1.830 1.00 0.00 N ATOM 840 CA ALA A 60 8.976 -26.667 -0.505 1.00 0.00 C ATOM 841 C ALA A 60 7.917 -25.940 0.316 1.00 0.00 C ATOM 842 O ALA A 60 7.226 -26.548 1.133 1.00 0.00 O ATOM 843 CB ALA A 60 10.313 -26.650 0.221 1.00 0.00 C ATOM 0 H ALA A 60 10.062 -25.783 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 60 8.655 -27.701 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.196 -27.096 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.045 -27.220 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.657 -25.621 0.326 1.00 0.00 H new ATOM 849 N ILE A 61 7.795 -24.635 0.094 1.00 0.00 N ATOM 850 CA ILE A 61 6.819 -23.826 0.813 1.00 0.00 C ATOM 851 C ILE A 61 5.395 -24.242 0.462 1.00 0.00 C ATOM 852 O ILE A 61 4.521 -24.290 1.327 1.00 0.00 O ATOM 853 CB ILE A 61 6.995 -22.327 0.507 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.354 -21.837 1.012 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.868 -21.522 1.136 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.868 -20.619 0.277 1.00 0.00 C ATOM 0 H ILE A 61 8.360 -24.116 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 61 6.992 -23.994 1.876 1.00 0.00 H new ATOM 0 HB ILE A 61 6.957 -22.185 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.276 -21.604 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.081 -22.643 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.007 -20.465 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.912 -21.857 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.876 -21.667 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.835 -20.327 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.979 -20.853 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.161 -19.798 0.395 1.00 0.00 H new ATOM 868 N GLU A 62 5.169 -24.543 -0.813 1.00 0.00 N ATOM 869 CA GLU A 62 3.850 -24.955 -1.278 1.00 0.00 C ATOM 870 C GLU A 62 3.663 -26.461 -1.116 1.00 0.00 C ATOM 871 O GLU A 62 2.540 -26.963 -1.143 1.00 0.00 O ATOM 872 CB GLU A 62 3.655 -24.561 -2.744 1.00 0.00 C ATOM 873 CG GLU A 62 3.047 -23.181 -2.927 1.00 0.00 C ATOM 874 CD GLU A 62 1.550 -23.166 -2.687 1.00 0.00 C ATOM 875 OE1 GLU A 62 0.849 -24.027 -3.260 1.00 0.00 O ATOM 876 OE2 GLU A 62 1.079 -22.295 -1.926 1.00 0.00 O ATOM 0 H GLU A 62 5.882 -24.509 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 62 3.103 -24.445 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.619 -24.594 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.014 -25.298 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.528 -22.483 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.253 -22.829 -3.938 1.00 0.00 H new ATOM 883 N GLU A 63 4.771 -27.175 -0.948 1.00 0.00 N ATOM 884 CA GLU A 63 4.729 -28.623 -0.783 1.00 0.00 C ATOM 885 C GLU A 63 4.582 -28.999 0.689 1.00 0.00 C ATOM 886 O GLU A 63 3.550 -29.523 1.107 1.00 0.00 O ATOM 887 CB GLU A 63 5.994 -29.262 -1.360 1.00 0.00 C ATOM 888 CG GLU A 63 6.167 -29.030 -2.851 1.00 0.00 C ATOM 889 CD GLU A 63 5.622 -30.172 -3.686 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.415 -30.469 -3.569 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.403 -30.768 -4.457 1.00 0.00 O ATOM 0 H GLU A 63 5.709 -26.775 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 63 3.861 -28.999 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.863 -28.865 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.969 -30.335 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.662 -28.106 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.225 -28.895 -3.074 1.00 0.00 H new ATOM 898 N VAL A 64 5.623 -28.727 1.470 1.00 0.00 N ATOM 899 CA VAL A 64 5.611 -29.036 2.895 1.00 0.00 C ATOM 900 C VAL A 64 4.350 -28.498 3.563 1.00 0.00 C ATOM 901 O VAL A 64 3.834 -29.093 4.509 1.00 0.00 O ATOM 902 CB VAL A 64 6.845 -28.451 3.606 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.891 -28.905 5.057 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.119 -28.847 2.875 1.00 0.00 C ATOM 0 H VAL A 64 6.485 -28.293 1.140 1.00 0.00 H new ATOM 0 HA VAL A 64 5.631 -30.122 2.984 1.00 0.00 H new ATOM 0 HB VAL A 64 6.768 -27.364 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.770 -28.482 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.993 -28.566 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.944 -29.993 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.981 -28.425 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.204 -29.933 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.086 -28.467 1.854 1.00 0.00 H new ATOM 914 N HIS A 65 3.859 -27.368 3.064 1.00 0.00 N ATOM 915 CA HIS A 65 2.657 -26.749 3.612 1.00 0.00 C ATOM 916 C HIS A 65 1.466 -27.699 3.518 1.00 0.00 C ATOM 917 O HIS A 65 1.055 -28.088 2.426 1.00 0.00 O ATOM 918 CB HIS A 65 2.345 -25.448 2.872 1.00 0.00 C ATOM 919 CG HIS A 65 1.024 -24.849 3.245 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.655 -24.593 4.548 1.00 0.00 N ATOM 921 CD2 HIS A 65 -0.017 -24.453 2.475 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.557 -24.068 4.565 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.987 -23.972 3.320 1.00 0.00 N ATOM 0 H HIS A 65 4.275 -26.863 2.282 1.00 0.00 H new ATOM 0 HA HIS A 65 2.840 -26.526 4.663 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.134 -24.724 3.078 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.359 -25.638 1.799 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.074 -24.506 1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.103 -23.768 5.447 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.893 -23.601 3.033 1.00 0.00 H new ATOM 931 N GLY A 66 0.918 -28.068 4.672 1.00 0.00 N ATOM 932 CA GLY A 66 -0.219 -28.970 4.698 1.00 0.00 C ATOM 933 C GLY A 66 0.185 -30.405 4.968 1.00 0.00 C ATOM 934 O GLY A 66 -0.651 -31.309 4.946 1.00 0.00 O ATOM 0 H GLY A 66 1.241 -27.759 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.921 -28.643 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.743 -28.917 3.744 1.00 0.00 H new ATOM 938 N LYS A 67 1.472 -30.618 5.224 1.00 0.00 N ATOM 939 CA LYS A 67 1.987 -31.953 5.499 1.00 0.00 C ATOM 940 C LYS A 67 1.585 -32.414 6.897 1.00 0.00 C ATOM 941 O LYS A 67 0.855 -31.720 7.603 1.00 0.00 O ATOM 942 CB LYS A 67 3.512 -31.973 5.364 1.00 0.00 C ATOM 943 CG LYS A 67 3.995 -31.944 3.924 1.00 0.00 C ATOM 944 CD LYS A 67 3.637 -33.226 3.191 1.00 0.00 C ATOM 945 CE LYS A 67 2.386 -33.053 2.343 1.00 0.00 C ATOM 946 NZ LYS A 67 1.609 -34.319 2.238 1.00 0.00 N ATOM 0 H LYS A 67 2.177 -29.882 5.247 1.00 0.00 H new ATOM 0 HA LYS A 67 1.555 -32.638 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.927 -31.116 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.900 -32.868 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.552 -31.092 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.076 -31.802 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.470 -33.528 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.480 -34.027 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.757 -32.276 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.667 -32.715 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.764 -34.160 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.200 -35.054 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.319 -34.628 3.188 1.00 0.00 H new ATOM 960 N SER A 68 2.067 -33.589 7.289 1.00 0.00 N ATOM 961 CA SER A 68 1.756 -34.143 8.602 1.00 0.00 C ATOM 962 C SER A 68 3.029 -34.380 9.408 1.00 0.00 C ATOM 963 O SER A 68 4.053 -34.794 8.865 1.00 0.00 O ATOM 964 CB SER A 68 0.981 -35.454 8.454 1.00 0.00 C ATOM 965 OG SER A 68 1.747 -36.423 7.759 1.00 0.00 O ATOM 0 H SER A 68 2.674 -34.176 6.717 1.00 0.00 H new ATOM 0 HA SER A 68 1.138 -33.421 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.714 -35.835 9.439 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.049 -35.271 7.920 1.00 0.00 H new ATOM 0 HG SER A 68 1.231 -37.252 7.679 1.00 0.00 H new ATOM 971 N PHE A 69 2.957 -34.112 10.708 1.00 0.00 N ATOM 972 CA PHE A 69 4.104 -34.295 11.590 1.00 0.00 C ATOM 973 C PHE A 69 3.702 -34.102 13.050 1.00 0.00 C ATOM 974 O PHE A 69 3.055 -33.116 13.402 1.00 0.00 O ATOM 975 CB PHE A 69 5.218 -33.313 11.222 1.00 0.00 C ATOM 976 CG PHE A 69 6.557 -33.686 11.792 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.831 -33.495 13.136 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.543 -34.228 10.982 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.062 -33.837 13.663 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.775 -34.572 11.503 1.00 0.00 C ATOM 981 CZ PHE A 69 9.036 -34.376 12.845 1.00 0.00 C ATOM 0 H PHE A 69 2.117 -33.768 11.174 1.00 0.00 H new ATOM 0 HA PHE A 69 4.471 -35.314 11.463 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.297 -33.256 10.136 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.946 -32.318 11.575 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.073 -33.074 13.780 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.345 -34.383 9.932 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.262 -33.683 14.713 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.534 -34.994 10.861 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.999 -34.643 13.254 1.00 0.00 H new ATOM 991 N ALA A 70 4.091 -35.051 13.894 1.00 0.00 N ATOM 992 CA ALA A 70 3.774 -34.987 15.316 1.00 0.00 C ATOM 993 C ALA A 70 2.267 -35.007 15.543 1.00 0.00 C ATOM 994 O ALA A 70 1.755 -34.332 16.435 1.00 0.00 O ATOM 995 CB ALA A 70 4.387 -33.740 15.937 1.00 0.00 C ATOM 0 H ALA A 70 4.627 -35.874 13.618 1.00 0.00 H new ATOM 0 HA ALA A 70 4.199 -35.867 15.799 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.143 -33.705 16.999 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.470 -33.767 15.814 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.988 -32.854 15.443 1.00 0.00 H new ATOM 1001 N ASN A 71 1.561 -35.786 14.730 1.00 0.00 N ATOM 1002 CA ASN A 71 0.111 -35.893 14.842 1.00 0.00 C ATOM 1003 C ASN A 71 -0.552 -34.532 14.653 1.00 0.00 C ATOM 1004 O ASN A 71 -1.596 -34.253 15.241 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.275 -36.476 16.203 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.204 -37.991 16.224 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.218 -38.673 16.074 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.997 -38.525 16.412 1.00 0.00 N ATOM 0 H ASN A 71 1.969 -36.352 13.987 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.240 -36.561 14.055 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.388 -36.073 16.969 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.286 -36.159 16.458 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.106 -39.539 16.437 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.810 -37.921 16.532 1.00 0.00 H new ATOM 1015 N GLN A 72 0.063 -33.690 13.829 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.467 -32.358 13.564 1.00 0.00 C ATOM 1017 C GLN A 72 -0.053 -31.874 12.178 1.00 0.00 C ATOM 1018 O GLN A 72 1.001 -32.237 11.655 1.00 0.00 O ATOM 1019 CB GLN A 72 0.018 -31.371 14.627 1.00 0.00 C ATOM 1020 CG GLN A 72 -0.392 -31.751 16.041 1.00 0.00 C ATOM 1021 CD GLN A 72 0.041 -30.724 17.069 1.00 0.00 C ATOM 1022 OE1 GLN A 72 0.779 -29.789 16.758 1.00 0.00 O ATOM 1023 NE2 GLN A 72 -0.417 -30.894 18.304 1.00 0.00 N ATOM 0 H GLN A 72 0.928 -33.906 13.334 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.555 -32.414 13.600 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.105 -31.302 14.579 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.374 -30.380 14.397 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.475 -31.867 16.083 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.042 -32.718 16.294 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.027 -31.683 18.518 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.159 -30.235 19.039 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.902 -31.034 11.566 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.645 -30.482 10.232 1.00 0.00 C ATOM 1034 C PRO A 73 0.503 -29.479 10.231 1.00 0.00 C ATOM 1035 O PRO A 73 0.470 -28.481 10.953 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.962 -29.788 9.877 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.583 -29.457 11.190 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.176 -30.558 12.129 1.00 0.00 C ATOM 0 HA PRO A 73 -0.348 -31.253 9.521 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.789 -28.890 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.607 -30.440 9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.238 -28.488 11.552 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.668 -29.398 11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.053 -30.192 13.148 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.922 -31.352 12.164 1.00 0.00 H new ATOM 1046 N LEU A 74 1.517 -29.749 9.417 1.00 0.00 N ATOM 1047 CA LEU A 74 2.677 -28.868 9.321 1.00 0.00 C ATOM 1048 C LEU A 74 2.321 -27.576 8.594 1.00 0.00 C ATOM 1049 O LEU A 74 1.326 -27.513 7.872 1.00 0.00 O ATOM 1050 CB LEU A 74 3.821 -29.577 8.595 1.00 0.00 C ATOM 1051 CG LEU A 74 4.643 -30.558 9.433 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.754 -31.173 8.597 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.218 -29.861 10.658 1.00 0.00 C ATOM 0 H LEU A 74 1.560 -30.570 8.814 1.00 0.00 H new ATOM 0 HA LEU A 74 2.997 -28.617 10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.405 -30.117 7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.495 -28.820 8.194 1.00 0.00 H new ATOM 0 HG LEU A 74 3.985 -31.359 9.771 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.328 -31.868 9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.320 -31.707 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.411 -30.385 8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.800 -30.574 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.862 -29.041 10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.405 -29.469 11.269 1.00 0.00 H new ATOM 1065 N GLU A 75 3.142 -26.548 8.788 1.00 0.00 N ATOM 1066 CA GLU A 75 2.913 -25.258 8.148 1.00 0.00 C ATOM 1067 C GLU A 75 4.236 -24.577 7.809 1.00 0.00 C ATOM 1068 O GLU A 75 5.115 -24.444 8.661 1.00 0.00 O ATOM 1069 CB GLU A 75 2.080 -24.353 9.059 1.00 0.00 C ATOM 1070 CG GLU A 75 1.083 -25.109 9.921 1.00 0.00 C ATOM 1071 CD GLU A 75 0.102 -24.189 10.622 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.046 -22.996 10.258 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.608 -24.662 11.534 1.00 0.00 O ATOM 0 H GLU A 75 3.970 -26.584 9.382 1.00 0.00 H new ATOM 0 HA GLU A 75 2.366 -25.432 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.750 -23.787 9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.542 -23.630 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.532 -25.815 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.623 -25.694 10.666 1.00 0.00 H new ATOM 1080 N VAL A 76 4.370 -24.148 6.558 1.00 0.00 N ATOM 1081 CA VAL A 76 5.584 -23.480 6.105 1.00 0.00 C ATOM 1082 C VAL A 76 5.259 -22.172 5.393 1.00 0.00 C ATOM 1083 O VAL A 76 4.247 -22.064 4.702 1.00 0.00 O ATOM 1084 CB VAL A 76 6.399 -24.380 5.156 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.828 -23.873 5.035 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.374 -25.822 5.638 1.00 0.00 C ATOM 0 H VAL A 76 3.653 -24.251 5.840 1.00 0.00 H new ATOM 0 HA VAL A 76 6.179 -23.268 6.993 1.00 0.00 H new ATOM 0 HB VAL A 76 5.942 -24.344 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.388 -24.521 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.821 -22.857 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.300 -23.877 6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.954 -26.444 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.805 -25.879 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.344 -26.178 5.666 1.00 0.00 H new ATOM 1096 N VAL A 77 6.126 -21.179 5.567 1.00 0.00 N ATOM 1097 CA VAL A 77 5.933 -19.877 4.940 1.00 0.00 C ATOM 1098 C VAL A 77 7.259 -19.289 4.473 1.00 0.00 C ATOM 1099 O VAL A 77 8.329 -19.766 4.853 1.00 0.00 O ATOM 1100 CB VAL A 77 5.255 -18.885 5.903 1.00 0.00 C ATOM 1101 CG1 VAL A 77 4.545 -17.787 5.127 1.00 0.00 C ATOM 1102 CG2 VAL A 77 4.285 -19.613 6.821 1.00 0.00 C ATOM 0 H VAL A 77 6.969 -21.252 6.137 1.00 0.00 H new ATOM 0 HA VAL A 77 5.286 -20.035 4.077 1.00 0.00 H new ATOM 0 HB VAL A 77 6.025 -18.421 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.072 -17.096 5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.268 -17.247 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.785 -18.230 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.815 -18.897 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.518 -20.106 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.826 -20.359 7.404 1.00 0.00 H new ATOM 1112 N TYR A 78 7.183 -18.252 3.647 1.00 0.00 N ATOM 1113 CA TYR A 78 8.378 -17.599 3.127 1.00 0.00 C ATOM 1114 C TYR A 78 9.046 -16.747 4.202 1.00 0.00 C ATOM 1115 O TYR A 78 8.650 -15.605 4.439 1.00 0.00 O ATOM 1116 CB TYR A 78 8.025 -16.731 1.918 1.00 0.00 C ATOM 1117 CG TYR A 78 8.581 -17.254 0.613 1.00 0.00 C ATOM 1118 CD1 TYR A 78 9.947 -17.447 0.445 1.00 0.00 C ATOM 1119 CD2 TYR A 78 7.741 -17.557 -0.451 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.460 -17.924 -0.746 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.245 -18.036 -1.645 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.605 -18.217 -1.788 1.00 0.00 C ATOM 1123 OH TYR A 78 10.111 -18.694 -2.975 1.00 0.00 O ATOM 0 H TYR A 78 6.306 -17.845 3.323 1.00 0.00 H new ATOM 0 HA TYR A 78 9.079 -18.374 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.940 -16.659 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.400 -15.721 2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.619 -17.220 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.676 -17.416 -0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.524 -18.067 -0.860 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.578 -18.267 -2.462 1.00 0.00 H new ATOM 0 HH TYR A 78 10.930 -19.202 -2.801 1.00 0.00 H new ATOM 1133 N SER A 79 10.061 -17.310 4.848 1.00 0.00 N ATOM 1134 CA SER A 79 10.783 -16.604 5.900 1.00 0.00 C ATOM 1135 C SER A 79 11.427 -15.332 5.358 1.00 0.00 C ATOM 1136 O SER A 79 12.158 -15.365 4.367 1.00 0.00 O ATOM 1137 CB SER A 79 11.853 -17.511 6.510 1.00 0.00 C ATOM 1138 OG SER A 79 12.724 -16.777 7.354 1.00 0.00 O ATOM 0 H SER A 79 10.402 -18.253 4.662 1.00 0.00 H new ATOM 0 HA SER A 79 10.068 -16.326 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.376 -18.309 7.080 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.427 -17.987 5.715 1.00 0.00 H new ATOM 0 HG SER A 79 13.179 -17.391 7.967 1.00 0.00 H new ATOM 1144 N LYS A 80 11.151 -14.211 6.015 1.00 0.00 N ATOM 1145 CA LYS A 80 11.703 -12.926 5.602 1.00 0.00 C ATOM 1146 C LYS A 80 13.202 -12.863 5.879 1.00 0.00 C ATOM 1147 O LYS A 80 13.951 -12.213 5.150 1.00 0.00 O ATOM 1148 CB LYS A 80 10.991 -11.784 6.330 1.00 0.00 C ATOM 1149 CG LYS A 80 9.559 -11.570 5.873 1.00 0.00 C ATOM 1150 CD LYS A 80 8.938 -10.351 6.534 1.00 0.00 C ATOM 1151 CE LYS A 80 8.819 -10.534 8.039 1.00 0.00 C ATOM 1152 NZ LYS A 80 10.042 -10.073 8.753 1.00 0.00 N ATOM 0 H LYS A 80 10.548 -14.166 6.836 1.00 0.00 H new ATOM 0 HA LYS A 80 11.545 -12.819 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.995 -11.989 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.553 -10.862 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.536 -11.449 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.966 -12.454 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.545 -9.471 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.951 -10.169 6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.955 -9.980 8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.642 -11.586 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.448 -10.864 9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.740 -9.732 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.794 -9.301 9.404 1.00 0.00 H new