USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=8 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= 0.161 K(o=-0.21,f=-5.3) USER MOD Set 1.2: A 37 MET CE :methyl -164:sc= -0.366 (180deg=0) USER MOD Set 2.1: A 10 ASN : amide:sc= -2.31! K(o=-2.1!,f=-1.2) USER MOD Set 2.2: A 11 THR OG1 : rot 52:sc= 0.176 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.647 K(o=-0.65,f=-6.1!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0802 X(o=-0.08,f=-0.087) USER MOD Single : A 56 SER OG : rot -76:sc= 0.464 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=-0.042) 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 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.7 USER MOD Single : A 79 SER OG : rot 110:sc= -0.684 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 8 8.557 -11.218 0.780 1.00 0.00 N ATOM 17 CA LEU A 8 9.127 -12.556 0.899 1.00 0.00 C ATOM 18 C LEU A 8 10.605 -12.554 0.521 1.00 0.00 C ATOM 19 O LEU A 8 11.136 -11.545 0.056 1.00 0.00 O ATOM 20 CB LEU A 8 8.363 -13.538 0.008 1.00 0.00 C ATOM 21 CG LEU A 8 8.294 -13.182 -1.477 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.564 -13.618 -2.191 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.072 -13.821 -2.122 1.00 0.00 C ATOM 0 HA LEU A 8 9.037 -12.871 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.825 -14.520 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.345 -13.626 0.388 1.00 0.00 H new ATOM 0 HG LEU A 8 8.205 -12.099 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.496 -13.356 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.422 -13.114 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.685 -14.697 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.039 -13.557 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.132 -14.905 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.170 -13.459 -1.629 1.00 0.00 H new ATOM 35 N SER A 9 11.264 -13.690 0.723 1.00 0.00 N ATOM 36 CA SER A 9 12.681 -13.819 0.406 1.00 0.00 C ATOM 37 C SER A 9 12.889 -14.743 -0.790 1.00 0.00 C ATOM 38 O SER A 9 11.938 -15.325 -1.311 1.00 0.00 O ATOM 39 CB SER A 9 13.450 -14.352 1.616 1.00 0.00 C ATOM 40 OG SER A 9 13.862 -13.294 2.465 1.00 0.00 O ATOM 0 H SER A 9 10.839 -14.535 1.105 1.00 0.00 H new ATOM 0 HA SER A 9 13.061 -12.830 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.821 -15.046 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.322 -14.912 1.279 1.00 0.00 H new ATOM 0 HG SER A 9 14.350 -13.661 3.232 1.00 0.00 H new ATOM 46 N ASN A 10 14.139 -14.873 -1.220 1.00 0.00 N ATOM 47 CA ASN A 10 14.473 -15.726 -2.355 1.00 0.00 C ATOM 48 C ASN A 10 14.755 -17.154 -1.898 1.00 0.00 C ATOM 49 O ASN A 10 14.418 -18.117 -2.588 1.00 0.00 O ATOM 50 CB ASN A 10 15.687 -15.168 -3.100 1.00 0.00 C ATOM 51 CG ASN A 10 16.998 -15.667 -2.524 1.00 0.00 C ATOM 52 OD1 ASN A 10 17.428 -15.229 -1.457 1.00 0.00 O ATOM 53 ND2 ASN A 10 17.641 -16.590 -3.231 1.00 0.00 N ATOM 0 H ASN A 10 14.938 -14.399 -0.800 1.00 0.00 H new ATOM 0 HA ASN A 10 13.617 -15.742 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.625 -15.448 -4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.666 -14.079 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 10 18.528 -16.964 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.248 -16.924 -4.111 1.00 0.00 H new ATOM 60 N THR A 11 15.374 -17.284 -0.729 1.00 0.00 N ATOM 61 CA THR A 11 15.702 -18.593 -0.180 1.00 0.00 C ATOM 62 C THR A 11 15.559 -18.604 1.338 1.00 0.00 C ATOM 63 O THR A 11 16.498 -18.272 2.062 1.00 0.00 O ATOM 64 CB THR A 11 17.136 -19.016 -0.551 1.00 0.00 C ATOM 65 OG1 THR A 11 18.040 -17.927 -0.330 1.00 0.00 O ATOM 66 CG2 THR A 11 17.211 -19.456 -2.005 1.00 0.00 C ATOM 0 H THR A 11 15.658 -16.498 -0.144 1.00 0.00 H new ATOM 0 HA THR A 11 14.998 -19.302 -0.615 1.00 0.00 H new ATOM 0 HB THR A 11 17.419 -19.857 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.920 -17.582 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.233 -19.750 -2.244 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.543 -20.303 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.910 -18.631 -2.651 1.00 0.00 H new ATOM 74 N ARG A 12 14.379 -18.988 1.813 1.00 0.00 N ATOM 75 CA ARG A 12 14.113 -19.042 3.246 1.00 0.00 C ATOM 76 C ARG A 12 12.691 -19.523 3.517 1.00 0.00 C ATOM 77 O ARG A 12 11.720 -18.911 3.068 1.00 0.00 O ATOM 78 CB ARG A 12 14.327 -17.665 3.878 1.00 0.00 C ATOM 79 CG ARG A 12 15.059 -17.713 5.209 1.00 0.00 C ATOM 80 CD ARG A 12 15.155 -16.333 5.841 1.00 0.00 C ATOM 81 NE ARG A 12 15.581 -16.399 7.236 1.00 0.00 N ATOM 82 CZ ARG A 12 16.832 -16.643 7.612 1.00 0.00 C ATOM 83 NH1 ARG A 12 17.774 -16.842 6.701 1.00 0.00 N ATOM 84 NH2 ARG A 12 17.142 -16.687 8.902 1.00 0.00 N ATOM 0 H ARG A 12 13.592 -19.266 1.227 1.00 0.00 H new ATOM 0 HA ARG A 12 14.809 -19.751 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.891 -17.040 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.358 -17.186 4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.539 -18.390 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.060 -18.117 5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.859 -15.723 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.186 -15.838 5.781 1.00 0.00 H new ATOM 0 HE ARG A 12 14.880 -16.250 7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.539 -16.808 5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.734 -17.029 6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.420 -16.533 9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.103 -16.874 9.190 1.00 0.00 H new ATOM 98 N LEU A 13 12.574 -20.622 4.254 1.00 0.00 N ATOM 99 CA LEU A 13 11.270 -21.186 4.585 1.00 0.00 C ATOM 100 C LEU A 13 11.086 -21.283 6.096 1.00 0.00 C ATOM 101 O LEU A 13 11.851 -21.962 6.782 1.00 0.00 O ATOM 102 CB LEU A 13 11.115 -22.570 3.951 1.00 0.00 C ATOM 103 CG LEU A 13 11.803 -22.770 2.600 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.443 -24.127 2.014 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.424 -21.654 1.638 1.00 0.00 C ATOM 0 H LEU A 13 13.366 -21.140 4.634 1.00 0.00 H new ATOM 0 HA LEU A 13 10.503 -20.522 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.504 -23.312 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.051 -22.774 3.828 1.00 0.00 H new ATOM 0 HG LEU A 13 12.882 -22.738 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.941 -24.252 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.765 -24.915 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.364 -24.188 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.923 -21.813 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.344 -21.654 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.733 -20.695 2.054 1.00 0.00 H new ATOM 117 N PHE A 14 10.066 -20.602 6.608 1.00 0.00 N ATOM 118 CA PHE A 14 9.781 -20.613 8.038 1.00 0.00 C ATOM 119 C PHE A 14 8.767 -21.699 8.383 1.00 0.00 C ATOM 120 O PHE A 14 7.620 -21.658 7.935 1.00 0.00 O ATOM 121 CB PHE A 14 9.255 -19.247 8.484 1.00 0.00 C ATOM 122 CG PHE A 14 8.556 -19.279 9.814 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.283 -19.317 10.993 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.173 -19.272 9.884 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.644 -19.346 12.217 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.527 -19.301 11.106 1.00 0.00 C ATOM 127 CZ PHE A 14 7.264 -19.339 12.274 1.00 0.00 C ATOM 0 H PHE A 14 9.423 -20.036 6.054 1.00 0.00 H new ATOM 0 HA PHE A 14 10.710 -20.828 8.567 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.088 -18.545 8.537 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.566 -18.868 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.362 -19.324 10.954 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.592 -19.244 8.974 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.223 -19.374 13.128 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.448 -19.294 11.148 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.762 -19.363 13.230 1.00 0.00 H new ATOM 137 N VAL A 15 9.197 -22.671 9.181 1.00 0.00 N ATOM 138 CA VAL A 15 8.327 -23.768 9.586 1.00 0.00 C ATOM 139 C VAL A 15 7.805 -23.561 11.004 1.00 0.00 C ATOM 140 O VAL A 15 8.338 -22.748 11.759 1.00 0.00 O ATOM 141 CB VAL A 15 9.060 -25.121 9.514 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.062 -26.266 9.433 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.012 -25.148 8.328 1.00 0.00 C ATOM 0 H VAL A 15 10.143 -22.721 9.560 1.00 0.00 H new ATOM 0 HA VAL A 15 7.488 -23.780 8.891 1.00 0.00 H new ATOM 0 HB VAL A 15 9.646 -25.246 10.425 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.599 -27.213 9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.425 -26.256 10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.447 -26.150 8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.521 -26.111 8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.449 -25.001 7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.749 -24.352 8.434 1.00 0.00 H new ATOM 153 N ARG A 16 6.760 -24.301 11.358 1.00 0.00 N ATOM 154 CA ARG A 16 6.165 -24.198 12.684 1.00 0.00 C ATOM 155 C ARG A 16 7.039 -24.888 13.727 1.00 0.00 C ATOM 156 O ARG A 16 7.989 -25.601 13.404 1.00 0.00 O ATOM 157 CB ARG A 16 4.765 -24.814 12.688 1.00 0.00 C ATOM 158 CG ARG A 16 4.732 -26.249 13.191 1.00 0.00 C ATOM 159 CD ARG A 16 3.306 -26.732 13.402 1.00 0.00 C ATOM 160 NE ARG A 16 2.388 -26.182 12.408 1.00 0.00 N ATOM 161 CZ ARG A 16 1.080 -26.062 12.603 1.00 0.00 C ATOM 162 NH1 ARG A 16 0.538 -26.453 13.748 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.310 -25.552 11.650 1.00 0.00 N ATOM 0 H ARG A 16 6.308 -24.979 10.744 1.00 0.00 H new ATOM 0 HA ARG A 16 6.090 -23.141 12.940 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.111 -24.204 13.311 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.361 -24.783 11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.235 -26.899 12.475 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.284 -26.320 14.128 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.281 -27.821 13.355 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.971 -26.449 14.400 1.00 0.00 H new ATOM 0 HE ARG A 16 2.773 -25.873 11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.126 -26.847 14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.467 -26.359 13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.723 -25.252 10.767 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.695 -25.460 11.801 1.00 0.00 H new ATOM 177 N PRO A 17 6.712 -24.673 15.010 1.00 0.00 N ATOM 178 CA PRO A 17 7.455 -25.265 16.127 1.00 0.00 C ATOM 179 C PRO A 17 7.248 -26.773 16.226 1.00 0.00 C ATOM 180 O PRO A 17 6.117 -27.250 16.317 1.00 0.00 O ATOM 181 CB PRO A 17 6.868 -24.563 17.355 1.00 0.00 C ATOM 182 CG PRO A 17 5.500 -24.150 16.937 1.00 0.00 C ATOM 183 CD PRO A 17 5.592 -23.834 15.470 1.00 0.00 C ATOM 0 HA PRO A 17 8.531 -25.132 16.017 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.834 -25.232 18.215 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.470 -23.702 17.644 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.779 -24.947 17.120 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.165 -23.281 17.503 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.667 -24.077 14.948 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.786 -22.775 15.298 1.00 0.00 H new ATOM 191 N PHE A 18 8.348 -27.518 16.207 1.00 0.00 N ATOM 192 CA PHE A 18 8.287 -28.973 16.294 1.00 0.00 C ATOM 193 C PHE A 18 8.417 -29.437 17.742 1.00 0.00 C ATOM 194 O PHE A 18 8.932 -28.725 18.605 1.00 0.00 O ATOM 195 CB PHE A 18 9.392 -29.603 15.444 1.00 0.00 C ATOM 196 CG PHE A 18 9.254 -29.317 13.976 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.715 -28.124 13.443 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.665 -30.241 13.128 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.589 -27.858 12.092 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.537 -29.981 11.777 1.00 0.00 C ATOM 201 CZ PHE A 18 9.001 -28.788 11.258 1.00 0.00 C ATOM 0 H PHE A 18 9.292 -27.139 16.132 1.00 0.00 H new ATOM 0 HA PHE A 18 7.318 -29.294 15.913 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.359 -29.236 15.789 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.388 -30.682 15.598 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.178 -27.394 14.090 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.301 -31.176 13.528 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.950 -26.923 11.689 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.075 -30.710 11.128 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.904 -28.583 10.202 1.00 0.00 H new ATOM 211 N PRO A 19 7.938 -30.660 18.016 1.00 0.00 N ATOM 212 CA PRO A 19 7.989 -31.247 19.358 1.00 0.00 C ATOM 213 C PRO A 19 9.411 -31.601 19.783 1.00 0.00 C ATOM 214 O PRO A 19 10.382 -31.110 19.206 1.00 0.00 O ATOM 215 CB PRO A 19 7.141 -32.514 19.223 1.00 0.00 C ATOM 216 CG PRO A 19 7.215 -32.868 17.778 1.00 0.00 C ATOM 217 CD PRO A 19 7.312 -31.563 17.037 1.00 0.00 C ATOM 0 HA PRO A 19 7.629 -30.555 20.119 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.529 -33.318 19.848 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.112 -32.336 19.535 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.081 -33.498 17.574 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.333 -33.428 17.468 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.916 -31.658 16.134 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.331 -31.203 16.728 1.00 0.00 H new ATOM 225 N LEU A 20 9.526 -32.456 20.793 1.00 0.00 N ATOM 226 CA LEU A 20 10.829 -32.876 21.295 1.00 0.00 C ATOM 227 C LEU A 20 11.699 -33.418 20.164 1.00 0.00 C ATOM 228 O LEU A 20 12.922 -33.482 20.286 1.00 0.00 O ATOM 229 CB LEU A 20 10.661 -33.942 22.379 1.00 0.00 C ATOM 230 CG LEU A 20 9.839 -35.172 21.990 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.475 -36.436 22.547 1.00 0.00 C ATOM 232 CD2 LEU A 20 8.406 -35.032 22.481 1.00 0.00 C ATOM 0 H LEU A 20 8.732 -32.872 21.280 1.00 0.00 H new ATOM 0 HA LEU A 20 11.323 -32.005 21.724 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.651 -34.275 22.689 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.194 -33.478 23.248 1.00 0.00 H new ATOM 0 HG LEU A 20 9.823 -35.247 20.903 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.877 -37.301 22.260 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.483 -36.543 22.146 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.522 -36.371 23.634 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.836 -35.916 22.196 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.401 -34.932 23.566 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.953 -34.148 22.033 1.00 0.00 H new ATOM 244 N ASP A 21 11.060 -33.803 19.065 1.00 0.00 N ATOM 245 CA ASP A 21 11.775 -34.335 17.911 1.00 0.00 C ATOM 246 C ASP A 21 12.194 -33.213 16.967 1.00 0.00 C ATOM 247 O ASP A 21 12.418 -33.439 15.778 1.00 0.00 O ATOM 248 CB ASP A 21 10.903 -35.347 17.166 1.00 0.00 C ATOM 249 CG ASP A 21 10.996 -36.739 17.759 1.00 0.00 C ATOM 250 OD1 ASP A 21 12.005 -37.427 17.499 1.00 0.00 O ATOM 251 OD2 ASP A 21 10.060 -37.141 18.481 1.00 0.00 O ATOM 0 H ASP A 21 10.048 -33.757 18.949 1.00 0.00 H new ATOM 0 HA ASP A 21 12.673 -34.837 18.271 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.865 -35.014 17.189 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.204 -35.380 16.119 1.00 0.00 H new ATOM 256 N VAL A 22 12.298 -32.002 17.504 1.00 0.00 N ATOM 257 CA VAL A 22 12.690 -30.844 16.710 1.00 0.00 C ATOM 258 C VAL A 22 14.190 -30.848 16.436 1.00 0.00 C ATOM 259 O VAL A 22 14.980 -30.373 17.251 1.00 0.00 O ATOM 260 CB VAL A 22 12.311 -29.526 17.412 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.854 -29.503 18.833 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.821 -28.334 16.618 1.00 0.00 C ATOM 0 H VAL A 22 12.116 -31.797 18.487 1.00 0.00 H new ATOM 0 HA VAL A 22 12.150 -30.911 15.765 1.00 0.00 H new ATOM 0 HB VAL A 22 11.224 -29.461 17.463 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.577 -28.565 19.313 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.435 -30.337 19.396 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.940 -29.591 18.809 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.544 -27.412 17.128 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.906 -28.391 16.534 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.379 -28.344 15.622 1.00 0.00 H new ATOM 272 N GLN A 23 14.574 -31.386 15.284 1.00 0.00 N ATOM 273 CA GLN A 23 15.980 -31.452 14.903 1.00 0.00 C ATOM 274 C GLN A 23 16.140 -31.344 13.390 1.00 0.00 C ATOM 275 O GLN A 23 15.159 -31.396 12.648 1.00 0.00 O ATOM 276 CB GLN A 23 16.605 -32.756 15.402 1.00 0.00 C ATOM 277 CG GLN A 23 15.922 -34.003 14.863 1.00 0.00 C ATOM 278 CD GLN A 23 16.332 -35.260 15.605 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.735 -36.251 14.995 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.233 -35.225 16.929 1.00 0.00 N ATOM 0 H GLN A 23 13.932 -31.783 14.598 1.00 0.00 H new ATOM 0 HA GLN A 23 16.495 -30.610 15.365 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.657 -32.777 15.118 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.568 -32.774 16.491 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.841 -33.880 14.934 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.161 -34.115 13.806 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.894 -34.382 17.393 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.496 -36.041 17.482 1.00 0.00 H new ATOM 289 N GLU A 24 17.381 -31.192 12.940 1.00 0.00 N ATOM 290 CA GLU A 24 17.668 -31.075 11.515 1.00 0.00 C ATOM 291 C GLU A 24 17.409 -32.397 10.798 1.00 0.00 C ATOM 292 O GLU A 24 17.149 -32.421 9.595 1.00 0.00 O ATOM 293 CB GLU A 24 19.119 -30.640 11.298 1.00 0.00 C ATOM 294 CG GLU A 24 20.138 -31.636 11.828 1.00 0.00 C ATOM 295 CD GLU A 24 21.508 -31.456 11.204 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.706 -31.925 10.064 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.382 -30.846 11.855 1.00 0.00 O ATOM 0 H GLU A 24 18.204 -31.147 13.541 1.00 0.00 H new ATOM 0 HA GLU A 24 17.004 -30.319 11.097 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.289 -30.491 10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.278 -29.677 11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.218 -31.527 12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.785 -32.649 11.635 1.00 0.00 H new ATOM 304 N SER A 25 17.483 -33.493 11.545 1.00 0.00 N ATOM 305 CA SER A 25 17.260 -34.819 10.981 1.00 0.00 C ATOM 306 C SER A 25 15.935 -34.874 10.227 1.00 0.00 C ATOM 307 O SER A 25 15.882 -35.307 9.076 1.00 0.00 O ATOM 308 CB SER A 25 17.274 -35.876 12.087 1.00 0.00 C ATOM 309 OG SER A 25 17.485 -37.171 11.552 1.00 0.00 O ATOM 0 H SER A 25 17.696 -33.489 12.543 1.00 0.00 H new ATOM 0 HA SER A 25 18.067 -35.027 10.278 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.059 -35.644 12.806 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.328 -35.853 12.629 1.00 0.00 H new ATOM 0 HG SER A 25 17.491 -37.828 12.279 1.00 0.00 H new ATOM 315 N GLU A 26 14.869 -34.431 10.884 1.00 0.00 N ATOM 316 CA GLU A 26 13.543 -34.430 10.276 1.00 0.00 C ATOM 317 C GLU A 26 13.464 -33.408 9.145 1.00 0.00 C ATOM 318 O GLU A 26 12.854 -33.662 8.106 1.00 0.00 O ATOM 319 CB GLU A 26 12.475 -34.125 11.329 1.00 0.00 C ATOM 320 CG GLU A 26 12.831 -32.960 12.238 1.00 0.00 C ATOM 321 CD GLU A 26 11.629 -32.412 12.981 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.939 -33.201 13.659 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.379 -31.192 12.885 1.00 0.00 O ATOM 0 H GLU A 26 14.897 -34.068 11.837 1.00 0.00 H new ATOM 0 HA GLU A 26 13.361 -35.421 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.533 -33.908 10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.313 -35.014 11.938 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.583 -33.283 12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.280 -32.164 11.644 1.00 0.00 H new ATOM 330 N LEU A 27 14.085 -32.253 9.355 1.00 0.00 N ATOM 331 CA LEU A 27 14.086 -31.192 8.354 1.00 0.00 C ATOM 332 C LEU A 27 14.703 -31.677 7.046 1.00 0.00 C ATOM 333 O LEU A 27 14.201 -31.378 5.964 1.00 0.00 O ATOM 334 CB LEU A 27 14.854 -29.975 8.873 1.00 0.00 C ATOM 335 CG LEU A 27 14.264 -29.282 10.101 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.471 -27.778 10.017 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.784 -29.611 10.240 1.00 0.00 C ATOM 0 H LEU A 27 14.594 -32.027 10.209 1.00 0.00 H new ATOM 0 HA LEU A 27 13.052 -30.907 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.871 -30.287 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.924 -29.244 8.067 1.00 0.00 H new ATOM 0 HG LEU A 27 14.783 -29.651 10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.044 -27.302 10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.538 -27.560 9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.979 -27.392 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.381 -29.109 11.120 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.251 -29.271 9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.659 -30.688 10.348 1.00 0.00 H new ATOM 349 N ASN A 28 15.793 -32.430 7.156 1.00 0.00 N ATOM 350 CA ASN A 28 16.477 -32.958 5.981 1.00 0.00 C ATOM 351 C ASN A 28 15.706 -34.131 5.384 1.00 0.00 C ATOM 352 O ASN A 28 15.643 -34.289 4.165 1.00 0.00 O ATOM 353 CB ASN A 28 17.896 -33.400 6.348 1.00 0.00 C ATOM 354 CG ASN A 28 18.883 -32.250 6.324 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.449 -31.924 5.279 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.096 -31.628 7.478 1.00 0.00 N ATOM 0 H ASN A 28 16.221 -32.688 8.045 1.00 0.00 H new ATOM 0 HA ASN A 28 16.531 -32.165 5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.889 -33.848 7.341 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.225 -34.172 5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.750 -30.847 7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.605 -31.932 8.319 1.00 0.00 H new ATOM 363 N GLU A 29 15.120 -34.951 6.252 1.00 0.00 N ATOM 364 CA GLU A 29 14.353 -36.109 5.810 1.00 0.00 C ATOM 365 C GLU A 29 13.029 -35.679 5.185 1.00 0.00 C ATOM 366 O GLU A 29 12.403 -36.439 4.445 1.00 0.00 O ATOM 367 CB GLU A 29 14.092 -37.054 6.984 1.00 0.00 C ATOM 368 CG GLU A 29 15.350 -37.705 7.533 1.00 0.00 C ATOM 369 CD GLU A 29 15.698 -38.997 6.819 1.00 0.00 C ATOM 370 OE1 GLU A 29 15.222 -40.064 7.259 1.00 0.00 O ATOM 371 OE2 GLU A 29 16.446 -38.941 5.821 1.00 0.00 O ATOM 0 H GLU A 29 15.162 -34.834 7.264 1.00 0.00 H new ATOM 0 HA GLU A 29 14.938 -36.633 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.602 -36.499 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.399 -37.833 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.184 -37.009 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.216 -37.906 8.596 1.00 0.00 H new ATOM 378 N ILE A 30 12.608 -34.455 5.488 1.00 0.00 N ATOM 379 CA ILE A 30 11.360 -33.924 4.957 1.00 0.00 C ATOM 380 C ILE A 30 11.617 -32.998 3.772 1.00 0.00 C ATOM 381 O ILE A 30 11.058 -33.185 2.692 1.00 0.00 O ATOM 382 CB ILE A 30 10.572 -33.155 6.033 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.167 -34.096 7.170 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.344 -32.496 5.422 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.858 -33.381 8.466 1.00 0.00 C ATOM 0 H ILE A 30 13.114 -33.813 6.099 1.00 0.00 H new ATOM 0 HA ILE A 30 10.769 -34.778 4.627 1.00 0.00 H new ATOM 0 HB ILE A 30 11.213 -32.375 6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.292 -34.668 6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.971 -34.812 7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.798 -31.956 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.654 -31.799 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.699 -33.260 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.579 -34.110 9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.739 -32.831 8.797 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.033 -32.685 8.310 1.00 0.00 H new ATOM 397 N PHE A 31 12.468 -31.999 3.983 1.00 0.00 N ATOM 398 CA PHE A 31 12.800 -31.044 2.933 1.00 0.00 C ATOM 399 C PHE A 31 13.882 -31.601 2.013 1.00 0.00 C ATOM 400 O PHE A 31 14.291 -30.951 1.052 1.00 0.00 O ATOM 401 CB PHE A 31 13.267 -29.722 3.546 1.00 0.00 C ATOM 402 CG PHE A 31 12.190 -28.999 4.303 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.719 -29.496 5.508 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.649 -27.822 3.811 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.728 -28.832 6.206 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.658 -27.154 4.505 1.00 0.00 C ATOM 407 CZ PHE A 31 10.197 -27.660 5.705 1.00 0.00 C ATOM 0 H PHE A 31 12.940 -31.830 4.871 1.00 0.00 H new ATOM 0 HA PHE A 31 11.902 -30.866 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.103 -29.917 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.640 -29.074 2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.131 -30.412 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.006 -27.422 2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.369 -29.230 7.144 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.245 -26.238 4.110 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.423 -27.140 6.250 1.00 0.00 H new ATOM 417 N GLY A 32 14.343 -32.811 2.316 1.00 0.00 N ATOM 418 CA GLY A 32 15.374 -33.437 1.508 1.00 0.00 C ATOM 419 C GLY A 32 14.995 -33.513 0.043 1.00 0.00 C ATOM 420 O GLY A 32 15.675 -32.966 -0.826 1.00 0.00 O ATOM 0 H GLY A 32 14.021 -33.369 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.303 -32.876 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.565 -34.442 1.883 1.00 0.00 H new ATOM 424 N PRO A 33 13.886 -34.209 -0.250 1.00 0.00 N ATOM 425 CA PRO A 33 13.394 -34.373 -1.621 1.00 0.00 C ATOM 426 C PRO A 33 12.850 -33.072 -2.202 1.00 0.00 C ATOM 427 O PRO A 33 11.678 -32.987 -2.571 1.00 0.00 O ATOM 428 CB PRO A 33 12.271 -35.403 -1.474 1.00 0.00 C ATOM 429 CG PRO A 33 11.809 -35.262 -0.065 1.00 0.00 C ATOM 430 CD PRO A 33 13.027 -34.888 0.734 1.00 0.00 C ATOM 0 HA PRO A 33 14.186 -34.680 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.461 -35.209 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.631 -36.412 -1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.037 -34.497 0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.375 -36.193 0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.775 -34.232 1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.516 -35.766 1.156 1.00 0.00 H new ATOM 438 N PHE A 34 13.707 -32.060 -2.279 1.00 0.00 N ATOM 439 CA PHE A 34 13.312 -30.762 -2.814 1.00 0.00 C ATOM 440 C PHE A 34 14.499 -30.057 -3.465 1.00 0.00 C ATOM 441 O PHE A 34 14.372 -29.463 -4.534 1.00 0.00 O ATOM 442 CB PHE A 34 12.729 -29.885 -1.704 1.00 0.00 C ATOM 443 CG PHE A 34 11.300 -30.208 -1.372 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.382 -30.462 -2.378 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.876 -30.258 -0.054 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.067 -30.760 -2.076 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.562 -30.556 0.254 1.00 0.00 C ATOM 448 CZ PHE A 34 8.656 -30.806 -0.759 1.00 0.00 C ATOM 0 H PHE A 34 14.680 -32.113 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 34 12.549 -30.928 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.337 -29.998 -0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.796 -28.840 -2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.698 -30.427 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.580 -30.062 0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.361 -30.957 -2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.244 -30.593 1.285 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.628 -31.037 -0.521 1.00 0.00 H new ATOM 458 N GLY A 35 15.653 -30.129 -2.809 1.00 0.00 N ATOM 459 CA GLY A 35 16.847 -29.493 -3.338 1.00 0.00 C ATOM 460 C GLY A 35 17.949 -29.379 -2.303 1.00 0.00 C ATOM 461 O GLY A 35 17.774 -29.733 -1.137 1.00 0.00 O ATOM 0 H GLY A 35 15.783 -30.615 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.212 -30.065 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.593 -28.499 -3.705 1.00 0.00 H new ATOM 465 N PRO A 36 19.116 -28.876 -2.730 1.00 0.00 N ATOM 466 CA PRO A 36 20.275 -28.706 -1.848 1.00 0.00 C ATOM 467 C PRO A 36 20.063 -27.600 -0.819 1.00 0.00 C ATOM 468 O PRO A 36 20.300 -26.426 -1.098 1.00 0.00 O ATOM 469 CB PRO A 36 21.403 -28.329 -2.812 1.00 0.00 C ATOM 470 CG PRO A 36 20.712 -27.718 -3.982 1.00 0.00 C ATOM 471 CD PRO A 36 19.396 -28.433 -4.107 1.00 0.00 C ATOM 0 HA PRO A 36 20.477 -29.604 -1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.099 -27.627 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.981 -29.205 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.562 -26.649 -3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.306 -27.832 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.614 -27.773 -4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.460 -29.276 -4.795 1.00 0.00 H new ATOM 479 N MET A 37 19.614 -27.985 0.372 1.00 0.00 N ATOM 480 CA MET A 37 19.372 -27.026 1.443 1.00 0.00 C ATOM 481 C MET A 37 20.660 -26.304 1.828 1.00 0.00 C ATOM 482 O MET A 37 21.564 -26.898 2.415 1.00 0.00 O ATOM 483 CB MET A 37 18.784 -27.732 2.666 1.00 0.00 C ATOM 484 CG MET A 37 17.526 -28.528 2.361 1.00 0.00 C ATOM 485 SD MET A 37 17.339 -29.968 3.430 1.00 0.00 S ATOM 486 CE MET A 37 18.471 -31.117 2.652 1.00 0.00 C ATOM 0 H MET A 37 19.411 -28.954 0.619 1.00 0.00 H new ATOM 0 HA MET A 37 18.657 -26.287 1.081 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.535 -28.402 3.085 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.558 -26.989 3.430 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.656 -27.882 2.473 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.550 -28.853 1.321 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.266 -32.127 3.008 1.00 0.00 H new ATOM 0 HE2 MET A 37 18.341 -31.080 1.570 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.496 -30.844 2.903 1.00 0.00 H new ATOM 496 N LYS A 38 20.736 -25.021 1.493 1.00 0.00 N ATOM 497 CA LYS A 38 21.912 -24.217 1.805 1.00 0.00 C ATOM 498 C LYS A 38 22.163 -24.180 3.309 1.00 0.00 C ATOM 499 O LYS A 38 23.308 -24.108 3.754 1.00 0.00 O ATOM 500 CB LYS A 38 21.739 -22.794 1.270 1.00 0.00 C ATOM 501 CG LYS A 38 22.853 -21.848 1.685 1.00 0.00 C ATOM 502 CD LYS A 38 22.576 -20.425 1.229 1.00 0.00 C ATOM 503 CE LYS A 38 22.732 -20.282 -0.277 1.00 0.00 C ATOM 504 NZ LYS A 38 24.159 -20.127 -0.674 1.00 0.00 N ATOM 0 H LYS A 38 19.997 -24.515 1.005 1.00 0.00 H new ATOM 0 HA LYS A 38 22.774 -24.677 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.689 -22.828 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.787 -22.396 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.964 -21.868 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.798 -22.189 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 38 21.565 -20.139 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 38 23.259 -19.741 1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 38 22.311 -21.158 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 38 22.163 -19.418 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 24.223 -20.032 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.554 -19.277 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.697 -20.963 -0.369 1.00 0.00 H new ATOM 518 N GLU A 39 21.085 -24.229 4.085 1.00 0.00 N ATOM 519 CA GLU A 39 21.190 -24.202 5.540 1.00 0.00 C ATOM 520 C GLU A 39 19.854 -24.553 6.188 1.00 0.00 C ATOM 521 O GLU A 39 18.806 -24.497 5.546 1.00 0.00 O ATOM 522 CB GLU A 39 21.653 -22.822 6.014 1.00 0.00 C ATOM 523 CG GLU A 39 22.639 -22.875 7.168 1.00 0.00 C ATOM 524 CD GLU A 39 23.863 -23.712 6.853 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.606 -23.347 5.918 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.078 -24.732 7.540 1.00 0.00 O ATOM 0 H GLU A 39 20.130 -24.288 3.732 1.00 0.00 H new ATOM 0 HA GLU A 39 21.926 -24.947 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.113 -22.295 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.783 -22.240 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.952 -21.862 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.141 -23.283 8.048 1.00 0.00 H new ATOM 533 N VAL A 40 19.901 -24.915 7.467 1.00 0.00 N ATOM 534 CA VAL A 40 18.695 -25.275 8.204 1.00 0.00 C ATOM 535 C VAL A 40 18.812 -24.884 9.673 1.00 0.00 C ATOM 536 O VAL A 40 19.846 -25.103 10.305 1.00 0.00 O ATOM 537 CB VAL A 40 18.408 -26.785 8.107 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.788 -27.125 6.760 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.682 -27.585 8.334 1.00 0.00 C ATOM 0 H VAL A 40 20.761 -24.967 8.014 1.00 0.00 H new ATOM 0 HA VAL A 40 17.870 -24.726 7.750 1.00 0.00 H new ATOM 0 HB VAL A 40 17.695 -27.053 8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.592 -28.196 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.852 -26.579 6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.475 -26.844 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.461 -28.650 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.420 -27.316 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.079 -27.363 9.325 1.00 0.00 H new ATOM 549 N LYS A 41 17.745 -24.305 10.212 1.00 0.00 N ATOM 550 CA LYS A 41 17.726 -23.884 11.608 1.00 0.00 C ATOM 551 C LYS A 41 16.544 -24.505 12.346 1.00 0.00 C ATOM 552 O LYS A 41 15.420 -24.513 11.843 1.00 0.00 O ATOM 553 CB LYS A 41 17.655 -22.358 11.701 1.00 0.00 C ATOM 554 CG LYS A 41 19.005 -21.699 11.924 1.00 0.00 C ATOM 555 CD LYS A 41 19.688 -21.370 10.607 1.00 0.00 C ATOM 556 CE LYS A 41 19.322 -19.976 10.122 1.00 0.00 C ATOM 557 NZ LYS A 41 19.878 -19.696 8.769 1.00 0.00 N ATOM 0 H LYS A 41 16.881 -24.116 9.703 1.00 0.00 H new ATOM 0 HA LYS A 41 18.647 -24.227 12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.216 -21.966 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.987 -22.083 12.517 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.874 -20.786 12.505 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.642 -22.361 12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.769 -21.442 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.402 -22.105 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.237 -19.873 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.696 -19.236 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.607 -18.736 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.915 -19.769 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.501 -20.387 8.089 1.00 0.00 H new ATOM 571 N ILE A 42 16.805 -25.022 13.542 1.00 0.00 N ATOM 572 CA ILE A 42 15.762 -25.642 14.350 1.00 0.00 C ATOM 573 C ILE A 42 15.832 -25.166 15.797 1.00 0.00 C ATOM 574 O ILE A 42 16.746 -25.529 16.538 1.00 0.00 O ATOM 575 CB ILE A 42 15.866 -27.178 14.321 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.316 -27.609 14.085 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.956 -27.751 13.245 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.678 -27.731 12.621 1.00 0.00 C ATOM 0 H ILE A 42 17.730 -25.024 13.973 1.00 0.00 H new ATOM 0 HA ILE A 42 14.807 -25.343 13.917 1.00 0.00 H new ATOM 0 HB ILE A 42 15.544 -27.567 15.287 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.983 -26.887 14.557 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.486 -28.568 14.574 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.041 -28.838 13.237 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.924 -27.469 13.453 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.250 -27.357 12.272 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.719 -28.040 12.528 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.036 -28.474 12.148 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.540 -26.767 12.131 1.00 0.00 H new ATOM 590 N LEU A 43 14.860 -24.352 16.194 1.00 0.00 N ATOM 591 CA LEU A 43 14.809 -23.827 17.554 1.00 0.00 C ATOM 592 C LEU A 43 13.473 -24.154 18.214 1.00 0.00 C ATOM 593 O LEU A 43 12.441 -24.225 17.548 1.00 0.00 O ATOM 594 CB LEU A 43 15.030 -22.314 17.546 1.00 0.00 C ATOM 595 CG LEU A 43 16.212 -21.812 16.717 1.00 0.00 C ATOM 596 CD1 LEU A 43 16.087 -20.319 16.457 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.526 -22.125 17.418 1.00 0.00 C ATOM 0 H LEU A 43 14.096 -24.041 15.593 1.00 0.00 H new ATOM 0 HA LEU A 43 15.604 -24.301 18.130 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.123 -21.837 17.175 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.167 -21.982 18.575 1.00 0.00 H new ATOM 0 HG LEU A 43 16.203 -22.329 15.757 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.938 -19.980 15.866 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.164 -20.121 15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.070 -19.784 17.407 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.357 -21.761 16.814 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.544 -21.636 18.392 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.620 -23.203 17.551 1.00 0.00 H new ATOM 609 N ASN A 44 13.501 -24.351 19.528 1.00 0.00 N ATOM 610 CA ASN A 44 12.292 -24.669 20.280 1.00 0.00 C ATOM 611 C ASN A 44 11.288 -23.523 20.205 1.00 0.00 C ATOM 612 O ASN A 44 11.304 -22.615 21.035 1.00 0.00 O ATOM 613 CB ASN A 44 12.637 -24.965 21.740 1.00 0.00 C ATOM 614 CG ASN A 44 13.767 -25.968 21.876 1.00 0.00 C ATOM 615 OD1 ASN A 44 14.907 -25.601 22.161 1.00 0.00 O ATOM 616 ND2 ASN A 44 13.455 -27.242 21.670 1.00 0.00 N ATOM 0 H ASN A 44 14.348 -24.296 20.094 1.00 0.00 H new ATOM 0 HA ASN A 44 11.840 -25.555 19.834 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.916 -24.037 22.240 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.752 -25.347 22.249 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.174 -27.962 21.746 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.497 -27.501 21.436 1.00 0.00 H new ATOM 623 N GLY A 45 10.415 -23.572 19.204 1.00 0.00 N ATOM 624 CA GLY A 45 9.415 -22.533 19.039 1.00 0.00 C ATOM 625 C GLY A 45 9.237 -22.124 17.590 1.00 0.00 C ATOM 626 O GLY A 45 8.198 -21.579 17.215 1.00 0.00 O ATOM 0 H GLY A 45 10.382 -24.313 18.504 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.462 -22.885 19.434 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.701 -21.661 19.627 1.00 0.00 H new ATOM 630 N PHE A 46 10.251 -22.387 16.774 1.00 0.00 N ATOM 631 CA PHE A 46 10.203 -22.041 15.358 1.00 0.00 C ATOM 632 C PHE A 46 11.343 -22.709 14.595 1.00 0.00 C ATOM 633 O PHE A 46 12.405 -22.977 15.156 1.00 0.00 O ATOM 634 CB PHE A 46 10.275 -20.523 15.179 1.00 0.00 C ATOM 635 CG PHE A 46 10.916 -19.813 16.338 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.228 -20.084 16.693 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.208 -18.874 17.070 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.820 -19.433 17.759 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.795 -18.220 18.137 1.00 0.00 C ATOM 640 CZ PHE A 46 12.103 -18.499 18.481 1.00 0.00 C ATOM 0 H PHE A 46 11.117 -22.839 17.068 1.00 0.00 H new ATOM 0 HA PHE A 46 9.258 -22.403 14.954 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.834 -20.298 14.271 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.267 -20.134 15.037 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.794 -20.812 16.131 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.185 -18.650 16.804 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.842 -19.655 18.027 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.231 -17.492 18.701 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.564 -17.988 19.313 1.00 0.00 H new ATOM 650 N ALA A 47 11.114 -22.974 13.313 1.00 0.00 N ATOM 651 CA ALA A 47 12.122 -23.609 12.473 1.00 0.00 C ATOM 652 C ALA A 47 12.310 -22.843 11.168 1.00 0.00 C ATOM 653 O ALA A 47 11.379 -22.210 10.668 1.00 0.00 O ATOM 654 CB ALA A 47 11.738 -25.053 12.188 1.00 0.00 C ATOM 0 H ALA A 47 10.240 -22.759 12.834 1.00 0.00 H new ATOM 0 HA ALA A 47 13.069 -23.596 13.012 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.500 -25.515 11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.661 -25.601 13.127 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.778 -25.079 11.673 1.00 0.00 H new ATOM 660 N PHE A 48 13.519 -22.904 10.620 1.00 0.00 N ATOM 661 CA PHE A 48 13.830 -22.214 9.373 1.00 0.00 C ATOM 662 C PHE A 48 14.611 -23.123 8.429 1.00 0.00 C ATOM 663 O PHE A 48 15.372 -23.986 8.868 1.00 0.00 O ATOM 664 CB PHE A 48 14.632 -20.942 9.655 1.00 0.00 C ATOM 665 CG PHE A 48 13.974 -20.026 10.647 1.00 0.00 C ATOM 666 CD1 PHE A 48 14.097 -20.254 12.008 1.00 0.00 C ATOM 667 CD2 PHE A 48 13.232 -18.937 10.218 1.00 0.00 C ATOM 668 CE1 PHE A 48 13.492 -19.412 12.923 1.00 0.00 C ATOM 669 CE2 PHE A 48 12.625 -18.092 11.128 1.00 0.00 C ATOM 670 CZ PHE A 48 12.756 -18.330 12.483 1.00 0.00 C ATOM 0 H PHE A 48 14.300 -23.424 11.020 1.00 0.00 H new ATOM 0 HA PHE A 48 12.890 -21.943 8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.618 -21.219 10.027 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.784 -20.403 8.720 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.672 -21.099 12.358 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.127 -18.746 9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.595 -19.601 13.981 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.049 -17.247 10.781 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.284 -17.671 13.196 1.00 0.00 H new ATOM 680 N VAL A 49 14.417 -22.923 7.129 1.00 0.00 N ATOM 681 CA VAL A 49 15.103 -23.723 6.122 1.00 0.00 C ATOM 682 C VAL A 49 15.476 -22.878 4.909 1.00 0.00 C ATOM 683 O VAL A 49 14.605 -22.418 4.170 1.00 0.00 O ATOM 684 CB VAL A 49 14.236 -24.909 5.661 1.00 0.00 C ATOM 685 CG1 VAL A 49 14.957 -25.713 4.590 1.00 0.00 C ATOM 686 CG2 VAL A 49 13.868 -25.791 6.844 1.00 0.00 C ATOM 0 H VAL A 49 13.790 -22.214 6.749 1.00 0.00 H new ATOM 0 HA VAL A 49 16.011 -24.106 6.587 1.00 0.00 H new ATOM 0 HB VAL A 49 13.315 -24.517 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.329 -26.547 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.165 -25.073 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.895 -26.096 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.255 -26.624 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.776 -26.176 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.308 -25.206 7.574 1.00 0.00 H new ATOM 696 N GLU A 50 16.775 -22.678 4.710 1.00 0.00 N ATOM 697 CA GLU A 50 17.262 -21.887 3.585 1.00 0.00 C ATOM 698 C GLU A 50 17.785 -22.790 2.472 1.00 0.00 C ATOM 699 O GLU A 50 18.824 -23.434 2.617 1.00 0.00 O ATOM 700 CB GLU A 50 18.366 -20.932 4.045 1.00 0.00 C ATOM 701 CG GLU A 50 18.980 -20.124 2.915 1.00 0.00 C ATOM 702 CD GLU A 50 19.652 -18.855 3.403 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.893 -18.743 4.624 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.938 -17.975 2.565 1.00 0.00 O ATOM 0 H GLU A 50 17.508 -23.052 5.312 1.00 0.00 H new ATOM 0 HA GLU A 50 16.428 -21.304 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.957 -20.248 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.150 -21.507 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.711 -20.739 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.204 -19.866 2.195 1.00 0.00 H new ATOM 711 N PHE A 51 17.058 -22.830 1.360 1.00 0.00 N ATOM 712 CA PHE A 51 17.447 -23.655 0.222 1.00 0.00 C ATOM 713 C PHE A 51 18.487 -22.940 -0.636 1.00 0.00 C ATOM 714 O PHE A 51 18.508 -21.712 -0.710 1.00 0.00 O ATOM 715 CB PHE A 51 16.222 -24.002 -0.626 1.00 0.00 C ATOM 716 CG PHE A 51 15.545 -25.276 -0.207 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.142 -26.504 -0.443 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.311 -25.246 0.423 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.522 -27.678 -0.058 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.687 -26.417 0.810 1.00 0.00 C ATOM 721 CZ PHE A 51 14.292 -27.634 0.568 1.00 0.00 C ATOM 0 H PHE A 51 16.197 -22.301 1.223 1.00 0.00 H new ATOM 0 HA PHE A 51 17.887 -24.576 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.505 -23.183 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.525 -24.087 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.103 -26.544 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.832 -24.297 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 51 15.999 -28.628 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.726 -26.380 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.804 -28.550 0.868 1.00 0.00 H new ATOM 731 N GLU A 52 19.348 -23.720 -1.283 1.00 0.00 N ATOM 732 CA GLU A 52 20.392 -23.162 -2.135 1.00 0.00 C ATOM 733 C GLU A 52 19.823 -22.744 -3.489 1.00 0.00 C ATOM 734 O GLU A 52 20.548 -22.247 -4.350 1.00 0.00 O ATOM 735 CB GLU A 52 21.517 -24.179 -2.335 1.00 0.00 C ATOM 736 CG GLU A 52 22.800 -23.570 -2.874 1.00 0.00 C ATOM 737 CD GLU A 52 24.012 -24.445 -2.623 1.00 0.00 C ATOM 738 OE1 GLU A 52 24.481 -24.490 -1.466 1.00 0.00 O ATOM 739 OE2 GLU A 52 24.492 -25.085 -3.581 1.00 0.00 O ATOM 0 H GLU A 52 19.343 -24.739 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 52 20.795 -22.278 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.728 -24.666 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.177 -24.954 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.695 -23.400 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.958 -22.596 -2.411 1.00 0.00 H new ATOM 746 N GLU A 53 18.522 -22.950 -3.667 1.00 0.00 N ATOM 747 CA GLU A 53 17.857 -22.597 -4.916 1.00 0.00 C ATOM 748 C GLU A 53 16.463 -22.036 -4.650 1.00 0.00 C ATOM 749 O GLU A 53 15.647 -22.667 -3.978 1.00 0.00 O ATOM 750 CB GLU A 53 17.762 -23.818 -5.832 1.00 0.00 C ATOM 751 CG GLU A 53 18.981 -24.010 -6.719 1.00 0.00 C ATOM 752 CD GLU A 53 19.264 -22.803 -7.592 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.641 -22.690 -8.668 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.109 -21.972 -7.198 1.00 0.00 O ATOM 0 H GLU A 53 17.908 -23.359 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 53 18.451 -21.828 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.624 -24.710 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.877 -23.722 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.851 -24.214 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.831 -24.884 -7.352 1.00 0.00 H new ATOM 761 N ALA A 54 16.199 -20.847 -5.181 1.00 0.00 N ATOM 762 CA ALA A 54 14.904 -20.202 -5.003 1.00 0.00 C ATOM 763 C ALA A 54 13.764 -21.147 -5.369 1.00 0.00 C ATOM 764 O ALA A 54 12.771 -21.243 -4.650 1.00 0.00 O ATOM 765 CB ALA A 54 14.828 -18.932 -5.838 1.00 0.00 C ATOM 0 H ALA A 54 16.864 -20.311 -5.738 1.00 0.00 H new ATOM 0 HA ALA A 54 14.799 -19.939 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.856 -18.461 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.614 -18.244 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.960 -19.180 -6.891 1.00 0.00 H new ATOM 771 N GLU A 55 13.916 -21.842 -6.492 1.00 0.00 N ATOM 772 CA GLU A 55 12.898 -22.779 -6.953 1.00 0.00 C ATOM 773 C GLU A 55 12.593 -23.822 -5.883 1.00 0.00 C ATOM 774 O GLU A 55 11.436 -24.045 -5.529 1.00 0.00 O ATOM 775 CB GLU A 55 13.354 -23.470 -8.240 1.00 0.00 C ATOM 776 CG GLU A 55 12.332 -24.442 -8.804 1.00 0.00 C ATOM 777 CD GLU A 55 12.847 -25.191 -10.018 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.766 -26.021 -9.857 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.330 -24.948 -11.128 1.00 0.00 O ATOM 0 H GLU A 55 14.733 -21.774 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 55 11.987 -22.215 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.575 -22.711 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.283 -24.005 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.053 -25.158 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.428 -23.896 -9.075 1.00 0.00 H new ATOM 786 N SER A 56 13.642 -24.460 -5.371 1.00 0.00 N ATOM 787 CA SER A 56 13.488 -25.484 -4.344 1.00 0.00 C ATOM 788 C SER A 56 12.724 -24.937 -3.142 1.00 0.00 C ATOM 789 O SER A 56 11.890 -25.626 -2.557 1.00 0.00 O ATOM 790 CB SER A 56 14.857 -26.001 -3.901 1.00 0.00 C ATOM 791 OG SER A 56 15.414 -26.868 -4.873 1.00 0.00 O ATOM 0 H SER A 56 14.607 -24.285 -5.651 1.00 0.00 H new ATOM 0 HA SER A 56 12.917 -26.309 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.529 -25.160 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.760 -26.528 -2.952 1.00 0.00 H new ATOM 0 HG SER A 56 14.971 -27.741 -4.825 1.00 0.00 H new ATOM 797 N ALA A 57 13.016 -23.692 -2.780 1.00 0.00 N ATOM 798 CA ALA A 57 12.357 -23.050 -1.650 1.00 0.00 C ATOM 799 C ALA A 57 10.892 -22.762 -1.960 1.00 0.00 C ATOM 800 O ALA A 57 10.000 -23.153 -1.209 1.00 0.00 O ATOM 801 CB ALA A 57 13.082 -21.766 -1.275 1.00 0.00 C ATOM 0 H ALA A 57 13.705 -23.108 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 57 12.394 -23.735 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.578 -21.297 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.112 -21.996 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.076 -21.083 -2.125 1.00 0.00 H new ATOM 807 N ALA A 58 10.652 -22.074 -3.072 1.00 0.00 N ATOM 808 CA ALA A 58 9.295 -21.734 -3.482 1.00 0.00 C ATOM 809 C ALA A 58 8.417 -22.979 -3.559 1.00 0.00 C ATOM 810 O ALA A 58 7.213 -22.919 -3.311 1.00 0.00 O ATOM 811 CB ALA A 58 9.313 -21.015 -4.822 1.00 0.00 C ATOM 0 H ALA A 58 11.380 -21.741 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 58 8.871 -21.068 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.293 -20.767 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.898 -20.100 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.761 -21.662 -5.576 1.00 0.00 H new ATOM 817 N LYS A 59 9.027 -24.107 -3.906 1.00 0.00 N ATOM 818 CA LYS A 59 8.302 -25.367 -4.016 1.00 0.00 C ATOM 819 C LYS A 59 8.013 -25.950 -2.636 1.00 0.00 C ATOM 820 O LYS A 59 6.865 -26.247 -2.306 1.00 0.00 O ATOM 821 CB LYS A 59 9.105 -26.371 -4.847 1.00 0.00 C ATOM 822 CG LYS A 59 8.810 -26.301 -6.335 1.00 0.00 C ATOM 823 CD LYS A 59 7.472 -26.939 -6.669 1.00 0.00 C ATOM 824 CE LYS A 59 7.430 -27.427 -8.109 1.00 0.00 C ATOM 825 NZ LYS A 59 6.045 -27.425 -8.655 1.00 0.00 N ATOM 0 H LYS A 59 10.023 -24.174 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 59 7.353 -25.169 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.169 -26.194 -4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.892 -27.379 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.808 -25.260 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.603 -26.805 -6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.289 -27.776 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.672 -26.216 -6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.065 -26.791 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.840 -28.435 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.059 -27.764 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.445 -28.051 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.662 -26.458 -8.628 1.00 0.00 H new ATOM 839 N ALA A 60 9.060 -26.111 -1.835 1.00 0.00 N ATOM 840 CA ALA A 60 8.917 -26.655 -0.490 1.00 0.00 C ATOM 841 C ALA A 60 7.862 -25.891 0.302 1.00 0.00 C ATOM 842 O ALA A 60 7.167 -26.464 1.141 1.00 0.00 O ATOM 843 CB ALA A 60 10.253 -26.622 0.238 1.00 0.00 C ATOM 0 H ALA A 60 10.017 -25.872 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 60 8.589 -27.691 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.131 -27.031 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.981 -27.219 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.605 -25.593 0.306 1.00 0.00 H new ATOM 849 N ILE A 61 7.749 -24.595 0.031 1.00 0.00 N ATOM 850 CA ILE A 61 6.778 -23.753 0.718 1.00 0.00 C ATOM 851 C ILE A 61 5.351 -24.163 0.371 1.00 0.00 C ATOM 852 O ILE A 61 4.465 -24.149 1.225 1.00 0.00 O ATOM 853 CB ILE A 61 6.972 -22.266 0.366 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.327 -21.772 0.878 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.843 -21.431 0.951 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.858 -20.574 0.122 1.00 0.00 C ATOM 0 H ILE A 61 8.318 -24.105 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 61 6.944 -23.890 1.787 1.00 0.00 H new ATOM 0 HB ILE A 61 6.952 -22.159 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.236 -21.514 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.050 -22.584 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.995 -20.383 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.891 -21.771 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.834 -21.541 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.821 -20.278 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.982 -20.833 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.154 -19.746 0.211 1.00 0.00 H new ATOM 868 N GLU A 62 5.136 -24.530 -0.889 1.00 0.00 N ATOM 869 CA GLU A 62 3.816 -24.946 -1.349 1.00 0.00 C ATOM 870 C GLU A 62 3.631 -26.451 -1.182 1.00 0.00 C ATOM 871 O GLU A 62 2.521 -26.968 -1.306 1.00 0.00 O ATOM 872 CB GLU A 62 3.616 -24.556 -2.814 1.00 0.00 C ATOM 873 CG GLU A 62 3.161 -23.119 -3.005 1.00 0.00 C ATOM 874 CD GLU A 62 2.319 -22.934 -4.253 1.00 0.00 C ATOM 875 OE1 GLU A 62 2.660 -23.536 -5.293 1.00 0.00 O ATOM 876 OE2 GLU A 62 1.320 -22.188 -4.190 1.00 0.00 O ATOM 0 H GLU A 62 5.859 -24.548 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 62 3.070 -24.436 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.552 -24.706 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.880 -25.224 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.586 -22.805 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.035 -22.470 -3.061 1.00 0.00 H new ATOM 883 N GLU A 63 4.727 -27.149 -0.900 1.00 0.00 N ATOM 884 CA GLU A 63 4.686 -28.595 -0.717 1.00 0.00 C ATOM 885 C GLU A 63 4.552 -28.953 0.760 1.00 0.00 C ATOM 886 O GLU A 63 3.524 -29.472 1.194 1.00 0.00 O ATOM 887 CB GLU A 63 5.945 -29.241 -1.299 1.00 0.00 C ATOM 888 CG GLU A 63 6.122 -28.998 -2.788 1.00 0.00 C ATOM 889 CD GLU A 63 5.578 -30.134 -3.633 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.352 -30.164 -3.869 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.378 -30.993 -4.058 1.00 0.00 O ATOM 0 H GLU A 63 5.654 -26.736 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 63 3.813 -28.978 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.818 -28.857 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.909 -30.315 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.618 -28.072 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.181 -28.862 -3.007 1.00 0.00 H new ATOM 898 N VAL A 64 5.601 -28.674 1.528 1.00 0.00 N ATOM 899 CA VAL A 64 5.602 -28.966 2.956 1.00 0.00 C ATOM 900 C VAL A 64 4.369 -28.383 3.637 1.00 0.00 C ATOM 901 O VAL A 64 3.851 -28.951 4.599 1.00 0.00 O ATOM 902 CB VAL A 64 6.864 -28.409 3.642 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.937 -28.877 5.087 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.112 -28.823 2.876 1.00 0.00 C ATOM 0 H VAL A 64 6.461 -28.246 1.185 1.00 0.00 H new ATOM 0 HA VAL A 64 5.591 -30.051 3.057 1.00 0.00 H new ATOM 0 HB VAL A 64 6.807 -27.320 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.835 -28.474 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.057 -28.527 5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.971 -29.966 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.995 -28.421 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.176 -29.911 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.061 -28.434 1.859 1.00 0.00 H new ATOM 914 N HIS A 65 3.903 -27.245 3.132 1.00 0.00 N ATOM 915 CA HIS A 65 2.728 -26.585 3.691 1.00 0.00 C ATOM 916 C HIS A 65 1.504 -27.493 3.609 1.00 0.00 C ATOM 917 O HIS A 65 1.104 -27.916 2.526 1.00 0.00 O ATOM 918 CB HIS A 65 2.455 -25.274 2.954 1.00 0.00 C ATOM 919 CG HIS A 65 1.163 -24.625 3.344 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.825 -24.347 4.652 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.123 -24.197 2.589 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.367 -23.779 4.685 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.814 -23.676 3.446 1.00 0.00 N ATOM 0 H HIS A 65 4.321 -26.761 2.337 1.00 0.00 H new ATOM 0 HA HIS A 65 2.928 -26.368 4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.273 -24.581 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.447 -25.465 1.881 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.046 -24.255 1.513 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.888 -23.454 5.574 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.710 -23.274 3.171 1.00 0.00 H new ATOM 931 N GLY A 66 0.914 -27.788 4.764 1.00 0.00 N ATOM 932 CA GLY A 66 -0.257 -28.644 4.800 1.00 0.00 C ATOM 933 C GLY A 66 0.098 -30.103 5.006 1.00 0.00 C ATOM 934 O GLY A 66 -0.767 -30.977 4.938 1.00 0.00 O ATOM 0 H GLY A 66 1.226 -27.450 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.918 -28.317 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.811 -28.536 3.867 1.00 0.00 H new ATOM 938 N LYS A 67 1.375 -30.370 5.258 1.00 0.00 N ATOM 939 CA LYS A 67 1.844 -31.734 5.474 1.00 0.00 C ATOM 940 C LYS A 67 1.456 -32.229 6.864 1.00 0.00 C ATOM 941 O LYS A 67 0.776 -31.530 7.615 1.00 0.00 O ATOM 942 CB LYS A 67 3.363 -31.806 5.301 1.00 0.00 C ATOM 943 CG LYS A 67 3.812 -31.767 3.851 1.00 0.00 C ATOM 944 CD LYS A 67 3.284 -32.959 3.070 1.00 0.00 C ATOM 945 CE LYS A 67 2.071 -32.583 2.233 1.00 0.00 C ATOM 946 NZ LYS A 67 1.141 -33.733 2.058 1.00 0.00 N ATOM 0 H LYS A 67 2.104 -29.659 5.318 1.00 0.00 H new ATOM 0 HA LYS A 67 1.369 -32.377 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.821 -30.975 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.730 -32.723 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.465 -30.844 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.901 -31.756 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.069 -33.347 2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.017 -33.759 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.542 -31.758 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.399 -32.229 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.327 -33.437 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.638 -34.512 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.808 -34.055 2.989 1.00 0.00 H new ATOM 960 N SER A 68 1.895 -33.437 7.201 1.00 0.00 N ATOM 961 CA SER A 68 1.591 -34.026 8.500 1.00 0.00 C ATOM 962 C SER A 68 2.869 -34.460 9.212 1.00 0.00 C ATOM 963 O SER A 68 3.820 -34.921 8.580 1.00 0.00 O ATOM 964 CB SER A 68 0.655 -35.225 8.334 1.00 0.00 C ATOM 965 OG SER A 68 1.200 -36.177 7.436 1.00 0.00 O ATOM 0 H SER A 68 2.462 -34.027 6.593 1.00 0.00 H new ATOM 0 HA SER A 68 1.096 -33.269 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.482 -35.692 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.313 -34.886 7.966 1.00 0.00 H new ATOM 0 HG SER A 68 0.584 -36.934 7.348 1.00 0.00 H new ATOM 971 N PHE A 69 2.884 -34.307 10.532 1.00 0.00 N ATOM 972 CA PHE A 69 4.045 -34.681 11.331 1.00 0.00 C ATOM 973 C PHE A 69 3.729 -34.595 12.822 1.00 0.00 C ATOM 974 O PHE A 69 3.040 -33.678 13.269 1.00 0.00 O ATOM 975 CB PHE A 69 5.234 -33.777 10.997 1.00 0.00 C ATOM 976 CG PHE A 69 6.523 -34.227 11.622 1.00 0.00 C ATOM 977 CD1 PHE A 69 7.259 -35.257 11.059 1.00 0.00 C ATOM 978 CD2 PHE A 69 6.999 -33.620 12.774 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.446 -35.673 11.632 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.185 -34.031 13.350 1.00 0.00 C ATOM 981 CZ PHE A 69 8.909 -35.060 12.780 1.00 0.00 C ATOM 0 H PHE A 69 2.106 -33.927 11.071 1.00 0.00 H new ATOM 0 HA PHE A 69 4.303 -35.712 11.091 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.358 -33.739 9.915 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.013 -32.762 11.329 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.901 -35.740 10.162 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.436 -32.817 13.226 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.011 -36.476 11.183 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.546 -33.548 14.246 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.835 -35.385 13.231 1.00 0.00 H new ATOM 991 N ALA A 70 4.238 -35.556 13.585 1.00 0.00 N ATOM 992 CA ALA A 70 4.013 -35.589 15.025 1.00 0.00 C ATOM 993 C ALA A 70 2.523 -35.547 15.348 1.00 0.00 C ATOM 994 O ALA A 70 2.108 -34.928 16.326 1.00 0.00 O ATOM 995 CB ALA A 70 4.733 -34.430 15.698 1.00 0.00 C ATOM 0 H ALA A 70 4.809 -36.323 13.230 1.00 0.00 H new ATOM 0 HA ALA A 70 4.416 -36.526 15.410 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.556 -34.467 16.773 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.803 -34.504 15.503 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.356 -33.488 15.301 1.00 0.00 H new ATOM 1001 N ASN A 71 1.724 -36.210 14.518 1.00 0.00 N ATOM 1002 CA ASN A 71 0.279 -36.247 14.715 1.00 0.00 C ATOM 1003 C ASN A 71 -0.311 -34.841 14.681 1.00 0.00 C ATOM 1004 O ASN A 71 -1.287 -34.550 15.373 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.057 -36.922 16.047 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.053 -38.435 15.946 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.023 -39.040 15.489 1.00 0.00 O ATOM 1008 ND2 ASN A 71 1.041 -39.053 16.374 1.00 0.00 N ATOM 0 H ASN A 71 2.052 -36.729 13.703 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.159 -36.825 13.901 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.664 -36.609 16.802 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.037 -36.586 16.384 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.102 -40.070 16.332 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.821 -38.511 16.745 1.00 0.00 H new ATOM 1015 N GLN A 72 0.287 -33.973 13.872 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.179 -32.598 13.748 1.00 0.00 C ATOM 1017 C GLN A 72 0.148 -32.034 12.369 1.00 0.00 C ATOM 1018 O GLN A 72 1.141 -32.401 11.741 1.00 0.00 O ATOM 1019 CB GLN A 72 0.452 -31.723 14.832 1.00 0.00 C ATOM 1020 CG GLN A 72 0.111 -32.167 16.246 1.00 0.00 C ATOM 1021 CD GLN A 72 0.758 -31.294 17.303 1.00 0.00 C ATOM 1022 OE1 GLN A 72 0.078 -30.558 18.019 1.00 0.00 O ATOM 1023 NE2 GLN A 72 2.080 -31.370 17.407 1.00 0.00 N ATOM 0 H GLN A 72 1.096 -34.198 13.292 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.262 -32.596 13.874 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.535 -31.730 14.709 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.123 -30.693 14.694 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.971 -32.149 16.378 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.432 -33.199 16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.605 -31.993 16.793 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.570 -30.805 18.100 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.706 -31.120 11.884 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.529 -30.486 10.575 1.00 0.00 C ATOM 1034 C PRO A 73 0.660 -29.531 10.549 1.00 0.00 C ATOM 1035 O PRO A 73 0.819 -28.698 11.442 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.837 -29.717 10.372 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.339 -29.455 11.750 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.911 -30.636 12.578 1.00 0.00 C ATOM 0 HA PRO A 73 -0.323 -31.217 9.793 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.670 -28.787 9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.554 -30.300 9.794 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.924 -28.529 12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.424 -29.346 11.756 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.694 -30.348 13.607 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.686 -31.401 12.618 1.00 0.00 H new ATOM 1046 N LEU A 74 1.493 -29.658 9.522 1.00 0.00 N ATOM 1047 CA LEU A 74 2.668 -28.805 9.380 1.00 0.00 C ATOM 1048 C LEU A 74 2.326 -27.530 8.616 1.00 0.00 C ATOM 1049 O LEU A 74 1.298 -27.455 7.944 1.00 0.00 O ATOM 1050 CB LEU A 74 3.787 -29.560 8.661 1.00 0.00 C ATOM 1051 CG LEU A 74 4.569 -30.566 9.506 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.658 -31.228 8.676 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.167 -29.884 10.728 1.00 0.00 C ATOM 0 H LEU A 74 1.377 -30.343 8.775 1.00 0.00 H new ATOM 0 HA LEU A 74 3.008 -28.528 10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.354 -30.088 7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.490 -28.830 8.258 1.00 0.00 H new ATOM 0 HG LEU A 74 3.880 -31.339 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.204 -31.941 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.206 -31.750 7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.346 -30.468 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.720 -30.615 11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.842 -29.090 10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.368 -29.458 11.334 1.00 0.00 H new ATOM 1065 N GLU A 75 3.196 -26.531 8.723 1.00 0.00 N ATOM 1066 CA GLU A 75 2.987 -25.260 8.040 1.00 0.00 C ATOM 1067 C GLU A 75 4.318 -24.582 7.730 1.00 0.00 C ATOM 1068 O GLU A 75 5.165 -24.420 8.609 1.00 0.00 O ATOM 1069 CB GLU A 75 2.118 -24.334 8.894 1.00 0.00 C ATOM 1070 CG GLU A 75 2.006 -22.923 8.342 1.00 0.00 C ATOM 1071 CD GLU A 75 0.820 -22.167 8.907 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.950 -21.602 10.013 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.238 -22.140 8.244 1.00 0.00 O ATOM 0 H GLU A 75 4.052 -26.577 9.276 1.00 0.00 H new ATOM 0 HA GLU A 75 2.475 -25.463 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.119 -24.762 8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.531 -24.289 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.921 -22.375 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.920 -22.968 7.256 1.00 0.00 H new ATOM 1080 N VAL A 76 4.497 -24.189 6.473 1.00 0.00 N ATOM 1081 CA VAL A 76 5.725 -23.528 6.046 1.00 0.00 C ATOM 1082 C VAL A 76 5.423 -22.335 5.147 1.00 0.00 C ATOM 1083 O VAL A 76 4.574 -22.412 4.258 1.00 0.00 O ATOM 1084 CB VAL A 76 6.653 -24.501 5.294 1.00 0.00 C ATOM 1085 CG1 VAL A 76 8.051 -23.915 5.166 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.693 -25.849 5.997 1.00 0.00 C ATOM 0 H VAL A 76 3.807 -24.317 5.732 1.00 0.00 H new ATOM 0 HA VAL A 76 6.228 -23.181 6.949 1.00 0.00 H new ATOM 0 HB VAL A 76 6.256 -24.652 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.692 -24.617 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.003 -22.976 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.461 -23.732 6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.353 -26.524 5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.066 -25.719 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.689 -26.272 6.030 1.00 0.00 H new ATOM 1096 N VAL A 77 6.123 -21.230 5.384 1.00 0.00 N ATOM 1097 CA VAL A 77 5.931 -20.019 4.595 1.00 0.00 C ATOM 1098 C VAL A 77 7.268 -19.388 4.223 1.00 0.00 C ATOM 1099 O VAL A 77 8.321 -19.808 4.705 1.00 0.00 O ATOM 1100 CB VAL A 77 5.081 -18.983 5.354 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.739 -19.580 5.749 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.829 -18.475 6.578 1.00 0.00 C ATOM 0 H VAL A 77 6.828 -21.149 6.116 1.00 0.00 H new ATOM 0 HA VAL A 77 5.406 -20.313 3.686 1.00 0.00 H new ATOM 0 HB VAL A 77 4.895 -18.137 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.152 -18.834 6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.201 -19.890 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.901 -20.444 6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.214 -17.744 7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.047 -19.310 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.762 -18.007 6.266 1.00 0.00 H new ATOM 1112 N TYR A 78 7.220 -18.378 3.362 1.00 0.00 N ATOM 1113 CA TYR A 78 8.428 -17.689 2.923 1.00 0.00 C ATOM 1114 C TYR A 78 9.016 -16.848 4.051 1.00 0.00 C ATOM 1115 O TYR A 78 8.537 -15.751 4.337 1.00 0.00 O ATOM 1116 CB TYR A 78 8.124 -16.802 1.715 1.00 0.00 C ATOM 1117 CG TYR A 78 8.759 -17.287 0.431 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.134 -17.463 0.337 1.00 0.00 C ATOM 1119 CD2 TYR A 78 7.984 -17.568 -0.687 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.719 -17.906 -0.833 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.560 -18.013 -1.861 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.928 -18.180 -1.930 1.00 0.00 C ATOM 1123 OH TYR A 78 10.505 -18.621 -3.098 1.00 0.00 O ATOM 0 H TYR A 78 6.357 -18.018 2.954 1.00 0.00 H new ATOM 0 HA TYR A 78 9.162 -18.443 2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.044 -16.747 1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.471 -15.790 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.756 -17.250 1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.913 -17.436 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.790 -18.037 -0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.943 -18.229 -2.721 1.00 0.00 H new ATOM 0 HH TYR A 78 11.319 -19.126 -2.890 1.00 0.00 H new ATOM 1133 N SER A 79 10.059 -17.371 4.689 1.00 0.00 N ATOM 1134 CA SER A 79 10.712 -16.670 5.788 1.00 0.00 C ATOM 1135 C SER A 79 11.310 -15.350 5.312 1.00 0.00 C ATOM 1136 O SER A 79 12.108 -15.318 4.375 1.00 0.00 O ATOM 1137 CB SER A 79 11.806 -17.547 6.401 1.00 0.00 C ATOM 1138 OG SER A 79 12.640 -16.794 7.265 1.00 0.00 O ATOM 0 H SER A 79 10.469 -18.277 4.464 1.00 0.00 H new ATOM 0 HA SER A 79 9.960 -16.455 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.350 -18.368 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.407 -17.992 5.608 1.00 0.00 H new ATOM 0 HG SER A 79 12.479 -17.064 8.193 1.00 0.00 H new ATOM 1144 N LYS A 80 10.919 -14.261 5.966 1.00 0.00 N ATOM 1145 CA LYS A 80 11.416 -12.937 5.613 1.00 0.00 C ATOM 1146 C LYS A 80 12.939 -12.890 5.682 1.00 0.00 C ATOM 1147 O LYS A 80 13.544 -13.416 6.617 1.00 0.00 O ATOM 1148 CB LYS A 80 10.820 -11.880 6.546 1.00 0.00 C ATOM 1149 CG LYS A 80 11.347 -11.959 7.968 1.00 0.00 C ATOM 1150 CD LYS A 80 12.453 -10.945 8.210 1.00 0.00 C ATOM 1151 CE LYS A 80 13.441 -11.437 9.257 1.00 0.00 C ATOM 1152 NZ LYS A 80 14.191 -10.314 9.883 1.00 0.00 N ATOM 0 H LYS A 80 10.259 -14.270 6.744 1.00 0.00 H new ATOM 0 HA LYS A 80 11.110 -12.724 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.033 -10.890 6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.736 -11.991 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.531 -11.784 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.724 -12.963 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.979 -10.749 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.017 -10.000 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.907 -11.991 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.144 -12.130 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.854 -10.691 10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.722 -9.800 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.523 -9.665 10.346 1.00 0.00 H new