USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 575 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= 0.643 K(o=0.44,f=-4.1) USER MOD Set 1.2: A 37 MET CE :methyl -169:sc= -0.198 (180deg=-0.406) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.55! C(o=-4.1!,f=-2.5!) USER MOD Single : A 11 THR OG1 : rot 50:sc= 0.288 USER MOD Single : A 23 GLN : amide:sc= -0.656 K(o=-0.66,f=-6.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.135 (180deg=-0.359) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -120:sc= -0.529 USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.017) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.019) 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= -0.499 K(o=-0.5,f=-1.5) USER MOD Single : A 78 TYR OH : rot 30:sc= -1.52! USER MOD Single : A 79 SER OG : rot 160:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.260 -8.496 0.664 1.00 0.00 N ATOM 2 CA GLU A 7 8.123 -9.037 2.011 1.00 0.00 C ATOM 3 C GLU A 7 8.752 -10.424 2.107 1.00 0.00 C ATOM 4 O GLU A 7 9.404 -10.756 3.098 1.00 0.00 O ATOM 5 CB GLU A 7 6.647 -9.105 2.410 1.00 0.00 C ATOM 6 CG GLU A 7 5.811 -9.988 1.499 1.00 0.00 C ATOM 7 CD GLU A 7 4.338 -9.968 1.859 1.00 0.00 C ATOM 8 OE1 GLU A 7 3.894 -8.982 2.482 1.00 0.00 O ATOM 9 OE2 GLU A 7 3.630 -10.939 1.517 1.00 0.00 O ATOM 0 HA GLU A 7 8.647 -8.371 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.572 -9.477 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.232 -8.097 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.934 -9.658 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.181 -11.012 1.553 1.00 0.00 H new ATOM 16 N LEU A 8 8.550 -11.231 1.071 1.00 0.00 N ATOM 17 CA LEU A 8 9.096 -12.584 1.037 1.00 0.00 C ATOM 18 C LEU A 8 10.578 -12.563 0.677 1.00 0.00 C ATOM 19 O LEU A 8 11.118 -11.529 0.286 1.00 0.00 O ATOM 20 CB LEU A 8 8.326 -13.440 0.030 1.00 0.00 C ATOM 21 CG LEU A 8 8.271 -12.906 -1.402 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.553 -13.245 -2.147 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.062 -13.468 -2.134 1.00 0.00 C ATOM 0 H LEU A 8 8.012 -10.972 0.244 1.00 0.00 H new ATOM 0 HA LEU A 8 8.989 -13.019 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.775 -14.433 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.305 -13.560 0.391 1.00 0.00 H new ATOM 0 HG LEU A 8 8.174 -11.821 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.496 -12.857 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.402 -12.794 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.681 -14.327 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.039 -13.077 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.128 -14.556 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.151 -13.174 -1.612 1.00 0.00 H new ATOM 35 N SER A 9 11.230 -13.714 0.810 1.00 0.00 N ATOM 36 CA SER A 9 12.650 -13.829 0.501 1.00 0.00 C ATOM 37 C SER A 9 12.874 -14.765 -0.683 1.00 0.00 C ATOM 38 O SER A 9 11.935 -15.372 -1.194 1.00 0.00 O ATOM 39 CB SER A 9 13.420 -14.337 1.721 1.00 0.00 C ATOM 40 OG SER A 9 13.806 -13.265 2.564 1.00 0.00 O ATOM 0 H SER A 9 10.797 -14.580 1.130 1.00 0.00 H new ATOM 0 HA SER A 9 13.020 -12.839 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.800 -15.038 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.305 -14.884 1.395 1.00 0.00 H new ATOM 0 HG SER A 9 14.295 -13.617 3.337 1.00 0.00 H new ATOM 46 N ASN A 10 14.127 -14.875 -1.113 1.00 0.00 N ATOM 47 CA ASN A 10 14.477 -15.736 -2.237 1.00 0.00 C ATOM 48 C ASN A 10 14.677 -17.177 -1.776 1.00 0.00 C ATOM 49 O ASN A 10 14.097 -18.107 -2.337 1.00 0.00 O ATOM 50 CB ASN A 10 15.746 -15.226 -2.922 1.00 0.00 C ATOM 51 CG ASN A 10 15.760 -15.524 -4.409 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.604 -16.466 -4.815 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 15.021 -14.916 -5.182 1.00 0.00 N flip ATOM 0 H ASN A 10 14.917 -14.379 -0.700 1.00 0.00 H new ATOM 0 HA ASN A 10 13.654 -15.713 -2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.831 -14.150 -2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.617 -15.684 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.388 -14.200 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 10 15.041 -15.128 -6.180 1.00 0.00 H new ATOM 60 N THR A 11 15.504 -17.355 -0.750 1.00 0.00 N ATOM 61 CA THR A 11 15.782 -18.681 -0.214 1.00 0.00 C ATOM 62 C THR A 11 15.664 -18.696 1.305 1.00 0.00 C ATOM 63 O THR A 11 16.632 -18.422 2.016 1.00 0.00 O ATOM 64 CB THR A 11 17.190 -19.164 -0.613 1.00 0.00 C ATOM 65 OG1 THR A 11 18.155 -18.142 -0.338 1.00 0.00 O ATOM 66 CG2 THR A 11 17.238 -19.531 -2.088 1.00 0.00 C ATOM 0 H THR A 11 15.993 -16.597 -0.274 1.00 0.00 H new ATOM 0 HA THR A 11 15.040 -19.356 -0.640 1.00 0.00 H new ATOM 0 HB THR A 11 17.425 -20.052 -0.026 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.033 -17.815 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.242 -19.869 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.523 -20.330 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.983 -18.658 -2.689 1.00 0.00 H new ATOM 74 N ARG A 12 14.472 -19.017 1.798 1.00 0.00 N ATOM 75 CA ARG A 12 14.228 -19.067 3.235 1.00 0.00 C ATOM 76 C ARG A 12 12.778 -19.443 3.527 1.00 0.00 C ATOM 77 O ARG A 12 11.852 -18.720 3.159 1.00 0.00 O ATOM 78 CB ARG A 12 14.555 -17.717 3.876 1.00 0.00 C ATOM 79 CG ARG A 12 15.342 -17.833 5.172 1.00 0.00 C ATOM 80 CD ARG A 12 15.639 -16.466 5.767 1.00 0.00 C ATOM 81 NE ARG A 12 15.908 -16.540 7.201 1.00 0.00 N ATOM 82 CZ ARG A 12 16.470 -15.556 7.895 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.819 -14.429 7.290 1.00 0.00 N ATOM 84 NH2 ARG A 12 16.683 -15.699 9.197 1.00 0.00 N ATOM 0 H ARG A 12 13.661 -19.246 1.224 1.00 0.00 H new ATOM 0 HA ARG A 12 14.877 -19.831 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.125 -17.116 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.625 -17.183 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.778 -18.429 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.277 -18.361 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.498 -16.028 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.793 -15.802 5.591 1.00 0.00 H new ATOM 0 HE ARG A 12 15.650 -17.394 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.656 -14.316 6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.250 -13.675 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.415 -16.565 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.114 -14.943 9.729 1.00 0.00 H new ATOM 98 N LEU A 13 12.590 -20.579 4.190 1.00 0.00 N ATOM 99 CA LEU A 13 11.253 -21.052 4.531 1.00 0.00 C ATOM 100 C LEU A 13 11.104 -21.221 6.040 1.00 0.00 C ATOM 101 O LEU A 13 11.886 -21.927 6.676 1.00 0.00 O ATOM 102 CB LEU A 13 10.965 -22.379 3.827 1.00 0.00 C ATOM 103 CG LEU A 13 11.821 -22.687 2.598 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.482 -24.061 2.041 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.631 -21.616 1.534 1.00 0.00 C ATOM 0 H LEU A 13 13.346 -21.189 4.502 1.00 0.00 H new ATOM 0 HA LEU A 13 10.533 -20.306 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.097 -23.186 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.917 -22.388 3.527 1.00 0.00 H new ATOM 0 HG LEU A 13 12.868 -22.689 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.101 -24.262 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.671 -24.819 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.431 -24.088 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.248 -21.851 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.583 -21.581 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.926 -20.647 1.937 1.00 0.00 H new ATOM 117 N PHE A 14 10.093 -20.570 6.606 1.00 0.00 N ATOM 118 CA PHE A 14 9.840 -20.649 8.040 1.00 0.00 C ATOM 119 C PHE A 14 8.823 -21.743 8.353 1.00 0.00 C ATOM 120 O PHE A 14 7.696 -21.720 7.858 1.00 0.00 O ATOM 121 CB PHE A 14 9.336 -19.304 8.565 1.00 0.00 C ATOM 122 CG PHE A 14 8.463 -19.424 9.782 1.00 0.00 C ATOM 123 CD1 PHE A 14 8.995 -19.831 10.994 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.111 -19.129 9.712 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.194 -19.943 12.115 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.305 -19.239 10.830 1.00 0.00 C ATOM 127 CZ PHE A 14 6.848 -19.645 12.033 1.00 0.00 C ATOM 0 H PHE A 14 9.436 -19.982 6.094 1.00 0.00 H new ATOM 0 HA PHE A 14 10.778 -20.896 8.536 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.192 -18.672 8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.778 -18.801 7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.047 -20.063 11.064 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.682 -18.810 8.774 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.620 -20.263 13.054 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.252 -19.008 10.763 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.221 -19.729 12.908 1.00 0.00 H new ATOM 137 N VAL A 15 9.230 -22.702 9.179 1.00 0.00 N ATOM 138 CA VAL A 15 8.356 -23.805 9.560 1.00 0.00 C ATOM 139 C VAL A 15 7.793 -23.601 10.962 1.00 0.00 C ATOM 140 O VAL A 15 8.282 -22.766 11.723 1.00 0.00 O ATOM 141 CB VAL A 15 9.099 -25.154 9.508 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.112 -26.303 9.373 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.103 -25.165 8.364 1.00 0.00 C ATOM 0 H VAL A 15 10.160 -22.737 9.597 1.00 0.00 H new ATOM 0 HA VAL A 15 7.537 -23.822 8.841 1.00 0.00 H new ATOM 0 HB VAL A 15 9.645 -25.284 10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.655 -27.247 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.436 -26.305 10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.536 -26.182 8.456 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.619 -26.125 8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.580 -25.012 7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.830 -24.366 8.510 1.00 0.00 H new ATOM 153 N ARG A 16 6.763 -24.371 11.297 1.00 0.00 N ATOM 154 CA ARG A 16 6.132 -24.274 12.608 1.00 0.00 C ATOM 155 C ARG A 16 6.993 -24.942 13.676 1.00 0.00 C ATOM 156 O ARG A 16 7.964 -25.639 13.379 1.00 0.00 O ATOM 157 CB ARG A 16 4.745 -24.919 12.579 1.00 0.00 C ATOM 158 CG ARG A 16 4.689 -26.275 13.263 1.00 0.00 C ATOM 159 CD ARG A 16 3.417 -27.027 12.905 1.00 0.00 C ATOM 160 NE ARG A 16 3.249 -28.233 13.713 1.00 0.00 N ATOM 161 CZ ARG A 16 2.922 -28.215 15.000 1.00 0.00 C ATOM 162 NH1 ARG A 16 2.728 -27.061 15.623 1.00 0.00 N ATOM 163 NH2 ARG A 16 2.787 -29.354 15.667 1.00 0.00 N ATOM 0 H ARG A 16 6.348 -25.068 10.679 1.00 0.00 H new ATOM 0 HA ARG A 16 6.029 -23.218 12.857 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.032 -24.249 13.060 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.427 -25.031 11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.557 -26.867 12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.742 -26.141 14.343 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.557 -26.373 13.047 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.441 -27.298 11.849 1.00 0.00 H new ATOM 0 HE ARG A 16 3.391 -29.138 13.264 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.830 -26.183 15.114 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.477 -27.051 16.612 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.934 -30.244 15.191 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.536 -29.339 16.655 1.00 0.00 H new ATOM 177 N PRO A 17 6.630 -24.726 14.949 1.00 0.00 N ATOM 178 CA PRO A 17 7.356 -25.298 16.087 1.00 0.00 C ATOM 179 C PRO A 17 7.176 -26.809 16.189 1.00 0.00 C ATOM 180 O PRO A 17 6.052 -27.305 16.278 1.00 0.00 O ATOM 181 CB PRO A 17 6.727 -24.602 17.296 1.00 0.00 C ATOM 182 CG PRO A 17 5.361 -24.216 16.842 1.00 0.00 C ATOM 183 CD PRO A 17 5.484 -23.907 15.376 1.00 0.00 C ATOM 0 HA PRO A 17 8.432 -25.145 16.002 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.684 -25.268 18.158 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.306 -23.729 17.596 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.650 -25.025 17.012 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.996 -23.350 17.394 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.577 -24.171 14.832 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.662 -22.846 15.203 1.00 0.00 H new ATOM 191 N PHE A 18 8.288 -27.536 16.176 1.00 0.00 N ATOM 192 CA PHE A 18 8.252 -28.991 16.267 1.00 0.00 C ATOM 193 C PHE A 18 8.396 -29.449 17.715 1.00 0.00 C ATOM 194 O PHE A 18 8.904 -28.727 18.574 1.00 0.00 O ATOM 195 CB PHE A 18 9.364 -29.604 15.413 1.00 0.00 C ATOM 196 CG PHE A 18 9.204 -29.342 13.943 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.693 -28.176 13.375 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.566 -30.263 13.127 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.546 -27.933 12.023 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.416 -30.025 11.774 1.00 0.00 C ATOM 201 CZ PHE A 18 8.908 -28.859 11.221 1.00 0.00 C ATOM 0 H PHE A 18 9.226 -27.141 16.103 1.00 0.00 H new ATOM 0 HA PHE A 18 7.286 -29.330 15.892 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.324 -29.207 15.742 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.389 -30.681 15.581 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.195 -27.449 13.997 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.181 -31.178 13.554 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.930 -27.019 11.593 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.915 -30.750 11.150 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.794 -28.672 10.163 1.00 0.00 H new ATOM 211 N PRO A 19 7.939 -30.679 17.994 1.00 0.00 N ATOM 212 CA PRO A 19 8.005 -31.262 19.338 1.00 0.00 C ATOM 213 C PRO A 19 9.434 -31.592 19.756 1.00 0.00 C ATOM 214 O PRO A 19 10.395 -31.080 19.179 1.00 0.00 O ATOM 215 CB PRO A 19 7.176 -32.542 19.210 1.00 0.00 C ATOM 216 CG PRO A 19 7.250 -32.899 17.765 1.00 0.00 C ATOM 217 CD PRO A 19 7.322 -31.594 17.020 1.00 0.00 C ATOM 0 HA PRO A 19 7.637 -30.574 20.100 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.579 -33.339 19.836 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.145 -32.379 19.525 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.126 -33.515 17.559 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.376 -33.475 17.460 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.922 -31.681 16.114 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.334 -31.250 16.716 1.00 0.00 H new ATOM 225 N LEU A 20 9.567 -32.449 20.763 1.00 0.00 N ATOM 226 CA LEU A 20 10.880 -32.847 21.259 1.00 0.00 C ATOM 227 C LEU A 20 11.759 -33.359 20.122 1.00 0.00 C ATOM 228 O LEU A 20 12.984 -33.394 20.239 1.00 0.00 O ATOM 229 CB LEU A 20 10.735 -33.928 22.332 1.00 0.00 C ATOM 230 CG LEU A 20 9.922 -35.162 21.937 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.640 -36.432 22.365 1.00 0.00 C ATOM 232 CD2 LEU A 20 8.530 -35.101 22.547 1.00 0.00 C ATOM 0 H LEU A 20 8.783 -32.881 21.251 1.00 0.00 H new ATOM 0 HA LEU A 20 11.357 -31.970 21.697 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.732 -34.254 22.628 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.273 -33.479 23.211 1.00 0.00 H new ATOM 0 HG LEU A 20 9.820 -35.175 20.852 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.047 -37.300 22.076 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.615 -36.480 21.879 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.773 -36.428 23.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.966 -35.987 22.255 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.610 -35.063 23.633 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.015 -34.209 22.190 1.00 0.00 H new ATOM 244 N ASP A 21 11.127 -33.752 19.022 1.00 0.00 N ATOM 245 CA ASP A 21 11.851 -34.258 17.863 1.00 0.00 C ATOM 246 C ASP A 21 12.235 -33.120 16.922 1.00 0.00 C ATOM 247 O ASP A 21 12.446 -33.332 15.728 1.00 0.00 O ATOM 248 CB ASP A 21 11.004 -35.290 17.116 1.00 0.00 C ATOM 249 CG ASP A 21 11.148 -36.685 17.693 1.00 0.00 C ATOM 250 OD1 ASP A 21 12.233 -37.283 17.535 1.00 0.00 O ATOM 251 OD2 ASP A 21 10.176 -37.178 18.303 1.00 0.00 O ATOM 0 H ASP A 21 10.114 -33.730 18.909 1.00 0.00 H new ATOM 0 HA ASP A 21 12.764 -34.736 18.217 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.956 -34.991 17.153 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.295 -35.303 16.066 1.00 0.00 H new ATOM 256 N VAL A 22 12.322 -31.912 17.469 1.00 0.00 N ATOM 257 CA VAL A 22 12.680 -30.739 16.679 1.00 0.00 C ATOM 258 C VAL A 22 14.178 -30.702 16.399 1.00 0.00 C ATOM 259 O VAL A 22 14.954 -30.173 17.194 1.00 0.00 O ATOM 260 CB VAL A 22 12.269 -29.437 17.390 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.806 -29.413 18.813 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.756 -28.226 16.608 1.00 0.00 C ATOM 0 H VAL A 22 12.150 -31.719 18.456 1.00 0.00 H new ATOM 0 HA VAL A 22 12.139 -30.815 15.736 1.00 0.00 H new ATOM 0 HB VAL A 22 11.181 -29.397 17.437 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.505 -28.485 19.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.404 -30.261 19.368 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.894 -29.476 18.792 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.457 -27.314 17.125 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.843 -28.258 16.528 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.318 -28.237 15.610 1.00 0.00 H new ATOM 272 N GLN A 23 14.576 -31.267 15.263 1.00 0.00 N ATOM 273 CA GLN A 23 15.982 -31.298 14.879 1.00 0.00 C ATOM 274 C GLN A 23 16.134 -31.224 13.363 1.00 0.00 C ATOM 275 O GLN A 23 15.152 -31.316 12.627 1.00 0.00 O ATOM 276 CB GLN A 23 16.650 -32.568 15.408 1.00 0.00 C ATOM 277 CG GLN A 23 15.992 -33.849 14.921 1.00 0.00 C ATOM 278 CD GLN A 23 16.468 -35.074 15.677 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.901 -36.058 15.078 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.390 -35.019 17.002 1.00 0.00 N ATOM 0 H GLN A 23 13.945 -31.709 14.594 1.00 0.00 H new ATOM 0 HA GLN A 23 16.471 -30.429 15.318 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.698 -32.570 15.107 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.632 -32.551 16.498 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.911 -33.760 15.025 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.200 -33.979 13.859 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.024 -34.183 17.457 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.696 -35.813 17.564 1.00 0.00 H new ATOM 289 N GLU A 24 17.370 -31.056 12.904 1.00 0.00 N ATOM 290 CA GLU A 24 17.648 -30.968 11.475 1.00 0.00 C ATOM 291 C GLU A 24 17.398 -32.308 10.789 1.00 0.00 C ATOM 292 O GLU A 24 17.205 -32.369 9.574 1.00 0.00 O ATOM 293 CB GLU A 24 19.094 -30.526 11.241 1.00 0.00 C ATOM 294 CG GLU A 24 20.125 -31.493 11.798 1.00 0.00 C ATOM 295 CD GLU A 24 21.517 -31.241 11.252 1.00 0.00 C ATOM 296 OE1 GLU A 24 22.057 -30.140 11.488 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.066 -32.145 10.589 1.00 0.00 O ATOM 0 H GLU A 24 18.194 -30.978 13.500 1.00 0.00 H new ATOM 0 HA GLU A 24 16.974 -30.227 11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.260 -30.408 10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.244 -29.547 11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.145 -31.411 12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.825 -32.514 11.561 1.00 0.00 H new ATOM 304 N SER A 25 17.402 -33.379 11.575 1.00 0.00 N ATOM 305 CA SER A 25 17.179 -34.719 11.044 1.00 0.00 C ATOM 306 C SER A 25 15.864 -34.786 10.274 1.00 0.00 C ATOM 307 O SER A 25 15.819 -35.274 9.145 1.00 0.00 O ATOM 308 CB SER A 25 17.173 -35.746 12.178 1.00 0.00 C ATOM 309 OG SER A 25 17.304 -37.064 11.673 1.00 0.00 O ATOM 0 H SER A 25 17.557 -33.345 12.583 1.00 0.00 H new ATOM 0 HA SER A 25 17.994 -34.952 10.358 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.990 -35.535 12.868 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.246 -35.661 12.745 1.00 0.00 H new ATOM 0 HG SER A 25 17.299 -37.701 12.417 1.00 0.00 H new ATOM 315 N GLU A 26 14.797 -34.293 10.893 1.00 0.00 N ATOM 316 CA GLU A 26 13.480 -34.298 10.266 1.00 0.00 C ATOM 317 C GLU A 26 13.419 -33.292 9.121 1.00 0.00 C ATOM 318 O GLU A 26 12.780 -33.537 8.097 1.00 0.00 O ATOM 319 CB GLU A 26 12.398 -33.977 11.299 1.00 0.00 C ATOM 320 CG GLU A 26 12.712 -32.759 12.152 1.00 0.00 C ATOM 321 CD GLU A 26 11.463 -32.050 12.639 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.780 -32.596 13.530 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.169 -30.949 12.128 1.00 0.00 O ATOM 0 H GLU A 26 14.818 -33.885 11.828 1.00 0.00 H new ATOM 0 HA GLU A 26 13.302 -35.294 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.452 -33.814 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.262 -34.841 11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.309 -33.066 13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.319 -32.062 11.574 1.00 0.00 H new ATOM 330 N LEU A 27 14.088 -32.158 9.301 1.00 0.00 N ATOM 331 CA LEU A 27 14.110 -31.113 8.283 1.00 0.00 C ATOM 332 C LEU A 27 14.730 -31.628 6.988 1.00 0.00 C ATOM 333 O LEU A 27 14.244 -31.334 5.896 1.00 0.00 O ATOM 334 CB LEU A 27 14.891 -29.898 8.788 1.00 0.00 C ATOM 335 CG LEU A 27 14.357 -29.238 10.059 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.667 -27.749 10.058 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.859 -29.472 10.192 1.00 0.00 C ATOM 0 H LEU A 27 14.622 -31.939 10.142 1.00 0.00 H new ATOM 0 HA LEU A 27 13.081 -30.817 8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.922 -30.203 8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.912 -29.150 7.996 1.00 0.00 H new ATOM 0 HG LEU A 27 14.854 -29.691 10.917 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.279 -27.296 10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.746 -27.602 10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.198 -27.280 9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.496 -28.995 11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.346 -29.046 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.661 -30.543 10.239 1.00 0.00 H new ATOM 349 N ASN A 28 15.805 -32.399 7.117 1.00 0.00 N ATOM 350 CA ASN A 28 16.490 -32.956 5.957 1.00 0.00 C ATOM 351 C ASN A 28 15.707 -34.130 5.375 1.00 0.00 C ATOM 352 O ASN A 28 15.626 -34.291 4.158 1.00 0.00 O ATOM 353 CB ASN A 28 17.900 -33.409 6.340 1.00 0.00 C ATOM 354 CG ASN A 28 18.902 -32.271 6.305 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.540 -32.022 5.282 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.045 -31.574 7.426 1.00 0.00 N ATOM 0 H ASN A 28 16.220 -32.652 8.014 1.00 0.00 H new ATOM 0 HA ASN A 28 16.560 -32.176 5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.881 -33.842 7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.224 -34.196 5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.705 -30.797 7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.495 -31.816 8.250 1.00 0.00 H new ATOM 363 N GLU A 29 15.133 -34.945 6.254 1.00 0.00 N ATOM 364 CA GLU A 29 14.357 -36.103 5.826 1.00 0.00 C ATOM 365 C GLU A 29 13.029 -35.672 5.212 1.00 0.00 C ATOM 366 O GLU A 29 12.392 -36.435 4.485 1.00 0.00 O ATOM 367 CB GLU A 29 14.105 -37.040 7.009 1.00 0.00 C ATOM 368 CG GLU A 29 15.366 -37.696 7.546 1.00 0.00 C ATOM 369 CD GLU A 29 15.689 -39.002 6.845 1.00 0.00 C ATOM 370 OE1 GLU A 29 14.873 -39.943 6.940 1.00 0.00 O ATOM 371 OE2 GLU A 29 16.756 -39.082 6.202 1.00 0.00 O ATOM 0 H GLU A 29 15.190 -34.825 7.265 1.00 0.00 H new ATOM 0 HA GLU A 29 14.932 -36.634 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.628 -36.478 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.404 -37.816 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.205 -37.010 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.248 -37.881 8.614 1.00 0.00 H new ATOM 378 N ILE A 30 12.617 -34.445 5.511 1.00 0.00 N ATOM 379 CA ILE A 30 11.365 -33.911 4.988 1.00 0.00 C ATOM 380 C ILE A 30 11.612 -33.003 3.789 1.00 0.00 C ATOM 381 O ILE A 30 11.049 -33.209 2.714 1.00 0.00 O ATOM 382 CB ILE A 30 10.596 -33.123 6.065 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.120 -34.063 7.175 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.416 -32.390 5.443 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.831 -33.358 8.481 1.00 0.00 C ATOM 0 H ILE A 30 13.132 -33.802 6.113 1.00 0.00 H new ATOM 0 HA ILE A 30 10.764 -34.765 4.675 1.00 0.00 H new ATOM 0 HB ILE A 30 11.268 -32.385 6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.219 -34.578 6.842 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.879 -34.826 7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.882 -31.838 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.778 -31.695 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.742 -33.111 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.498 -34.086 9.221 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.736 -32.866 8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.050 -32.614 8.327 1.00 0.00 H new ATOM 397 N PHE A 31 12.460 -31.998 3.980 1.00 0.00 N ATOM 398 CA PHE A 31 12.783 -31.057 2.913 1.00 0.00 C ATOM 399 C PHE A 31 13.867 -31.623 2.000 1.00 0.00 C ATOM 400 O PHE A 31 14.288 -30.974 1.043 1.00 0.00 O ATOM 401 CB PHE A 31 13.243 -29.723 3.503 1.00 0.00 C ATOM 402 CG PHE A 31 12.171 -29.006 4.273 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.721 -29.502 5.486 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.613 -27.836 3.783 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.734 -28.845 6.196 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.625 -27.174 4.489 1.00 0.00 C ATOM 407 CZ PHE A 31 10.186 -27.679 5.697 1.00 0.00 C ATOM 0 H PHE A 31 12.936 -31.814 4.863 1.00 0.00 H new ATOM 0 HA PHE A 31 11.882 -30.893 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.094 -29.900 4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.592 -29.079 2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.146 -30.413 5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.953 -27.437 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.391 -29.243 7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.197 -26.263 4.096 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.415 -27.163 6.251 1.00 0.00 H new ATOM 417 N GLY A 32 14.314 -32.838 2.304 1.00 0.00 N ATOM 418 CA GLY A 32 15.345 -33.470 1.502 1.00 0.00 C ATOM 419 C GLY A 32 14.963 -33.567 0.038 1.00 0.00 C ATOM 420 O GLY A 32 15.642 -33.033 -0.839 1.00 0.00 O ATOM 0 H GLY A 32 13.981 -33.395 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.272 -32.904 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.541 -34.469 1.890 1.00 0.00 H new ATOM 424 N PRO A 33 13.852 -34.265 -0.243 1.00 0.00 N ATOM 425 CA PRO A 33 13.357 -34.447 -1.610 1.00 0.00 C ATOM 426 C PRO A 33 12.814 -33.153 -2.208 1.00 0.00 C ATOM 427 O PRO A 33 11.645 -33.075 -2.585 1.00 0.00 O ATOM 428 CB PRO A 33 12.233 -35.473 -1.447 1.00 0.00 C ATOM 429 CG PRO A 33 11.774 -35.311 -0.039 1.00 0.00 C ATOM 430 CD PRO A 33 12.994 -34.928 0.753 1.00 0.00 C ATOM 0 HA PRO A 33 14.147 -34.764 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.422 -35.287 -2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.591 -36.486 -1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.004 -34.543 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.338 -36.236 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.745 -34.260 1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.482 -35.801 1.187 1.00 0.00 H new ATOM 438 N PHE A 34 13.671 -32.141 -2.292 1.00 0.00 N ATOM 439 CA PHE A 34 13.276 -30.850 -2.843 1.00 0.00 C ATOM 440 C PHE A 34 14.463 -30.157 -3.507 1.00 0.00 C ATOM 441 O PHE A 34 14.332 -29.573 -4.582 1.00 0.00 O ATOM 442 CB PHE A 34 12.699 -29.956 -1.743 1.00 0.00 C ATOM 443 CG PHE A 34 11.272 -30.274 -1.400 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.347 -30.533 -2.398 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.856 -30.313 -0.079 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.032 -30.826 -2.086 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.543 -30.606 0.240 1.00 0.00 C ATOM 448 CZ PHE A 34 8.630 -30.862 -0.765 1.00 0.00 C ATOM 0 H PHE A 34 14.643 -32.190 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 34 12.510 -31.024 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.311 -30.056 -0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.765 -28.915 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.657 -30.506 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.565 -30.112 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.321 -31.026 -2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.231 -30.635 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.604 -31.090 -0.518 1.00 0.00 H new ATOM 458 N GLY A 35 15.620 -30.225 -2.857 1.00 0.00 N ATOM 459 CA GLY A 35 16.813 -29.600 -3.398 1.00 0.00 C ATOM 460 C GLY A 35 17.928 -29.498 -2.376 1.00 0.00 C ATOM 461 O GLY A 35 17.765 -29.854 -1.209 1.00 0.00 O ATOM 0 H GLY A 35 15.753 -30.702 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.162 -30.174 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.564 -28.603 -3.761 1.00 0.00 H new ATOM 465 N PRO A 36 19.095 -29.004 -2.816 1.00 0.00 N ATOM 466 CA PRO A 36 20.265 -28.846 -1.947 1.00 0.00 C ATOM 467 C PRO A 36 20.075 -27.742 -0.912 1.00 0.00 C ATOM 468 O PRO A 36 20.337 -26.571 -1.185 1.00 0.00 O ATOM 469 CB PRO A 36 21.385 -28.476 -2.923 1.00 0.00 C ATOM 470 CG PRO A 36 20.686 -27.855 -4.083 1.00 0.00 C ATOM 471 CD PRO A 36 19.362 -28.560 -4.194 1.00 0.00 C ATOM 0 HA PRO A 36 20.466 -29.747 -1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.092 -27.782 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.952 -29.356 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.547 -26.785 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.268 -27.971 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.581 -27.893 -4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.412 -29.402 -4.885 1.00 0.00 H new ATOM 479 N MET A 37 19.617 -28.124 0.276 1.00 0.00 N ATOM 480 CA MET A 37 19.393 -27.166 1.352 1.00 0.00 C ATOM 481 C MET A 37 20.696 -26.475 1.744 1.00 0.00 C ATOM 482 O MET A 37 21.605 -27.103 2.287 1.00 0.00 O ATOM 483 CB MET A 37 18.787 -27.866 2.570 1.00 0.00 C ATOM 484 CG MET A 37 17.514 -28.635 2.257 1.00 0.00 C ATOM 485 SD MET A 37 17.224 -29.996 3.404 1.00 0.00 S ATOM 486 CE MET A 37 18.233 -31.280 2.666 1.00 0.00 C ATOM 0 H MET A 37 19.394 -29.090 0.517 1.00 0.00 H new ATOM 0 HA MET A 37 18.695 -26.410 0.992 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.523 -28.553 2.988 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.573 -27.122 3.337 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.665 -27.952 2.288 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.571 -29.027 1.242 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.011 -32.236 3.141 1.00 0.00 H new ATOM 0 HE2 MET A 37 18.016 -31.346 1.600 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.287 -31.041 2.808 1.00 0.00 H new ATOM 496 N LYS A 38 20.780 -25.178 1.466 1.00 0.00 N ATOM 497 CA LYS A 38 21.970 -24.401 1.790 1.00 0.00 C ATOM 498 C LYS A 38 22.206 -24.371 3.296 1.00 0.00 C ATOM 499 O LYS A 38 23.348 -24.337 3.753 1.00 0.00 O ATOM 500 CB LYS A 38 21.833 -22.974 1.256 1.00 0.00 C ATOM 501 CG LYS A 38 22.964 -22.054 1.683 1.00 0.00 C ATOM 502 CD LYS A 38 24.288 -22.477 1.070 1.00 0.00 C ATOM 503 CE LYS A 38 24.337 -22.171 -0.419 1.00 0.00 C ATOM 504 NZ LYS A 38 25.610 -22.632 -1.039 1.00 0.00 N ATOM 0 H LYS A 38 20.037 -24.643 1.017 1.00 0.00 H new ATOM 0 HA LYS A 38 22.827 -24.879 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.792 -23.005 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.887 -22.556 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.734 -21.031 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.047 -22.058 2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.105 -21.962 1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.438 -23.545 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 38 23.495 -22.653 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.226 -21.098 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 25.493 -22.690 -2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.370 -21.958 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 25.858 -23.570 -0.665 1.00 0.00 H new ATOM 518 N GLU A 39 21.120 -24.386 4.062 1.00 0.00 N ATOM 519 CA GLU A 39 21.211 -24.361 5.517 1.00 0.00 C ATOM 520 C GLU A 39 19.866 -24.703 6.152 1.00 0.00 C ATOM 521 O GLU A 39 18.834 -24.714 5.481 1.00 0.00 O ATOM 522 CB GLU A 39 21.679 -22.986 5.998 1.00 0.00 C ATOM 523 CG GLU A 39 22.570 -23.042 7.227 1.00 0.00 C ATOM 524 CD GLU A 39 23.780 -23.935 7.031 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.822 -23.428 6.566 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.684 -25.141 7.342 1.00 0.00 O ATOM 0 H GLU A 39 20.167 -24.415 3.699 1.00 0.00 H new ATOM 0 HA GLU A 39 21.940 -25.112 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.219 -22.492 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.806 -22.372 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.903 -22.034 7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.990 -23.404 8.076 1.00 0.00 H new ATOM 533 N VAL A 40 19.886 -24.982 7.452 1.00 0.00 N ATOM 534 CA VAL A 40 18.669 -25.324 8.179 1.00 0.00 C ATOM 535 C VAL A 40 18.771 -24.914 9.644 1.00 0.00 C ATOM 536 O VAL A 40 19.740 -25.245 10.328 1.00 0.00 O ATOM 537 CB VAL A 40 18.373 -26.834 8.100 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.737 -27.184 6.763 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.646 -27.638 8.321 1.00 0.00 C ATOM 0 H VAL A 40 20.731 -24.978 8.023 1.00 0.00 H new ATOM 0 HA VAL A 40 17.854 -24.776 7.707 1.00 0.00 H new ATOM 0 HB VAL A 40 17.667 -27.090 8.889 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.535 -28.254 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.803 -26.634 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.417 -26.914 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.419 -28.702 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.377 -27.380 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.055 -27.408 9.305 1.00 0.00 H new ATOM 549 N LYS A 41 17.764 -24.190 10.121 1.00 0.00 N ATOM 550 CA LYS A 41 17.737 -23.734 11.506 1.00 0.00 C ATOM 551 C LYS A 41 16.569 -24.358 12.261 1.00 0.00 C ATOM 552 O LYS A 41 15.442 -24.390 11.764 1.00 0.00 O ATOM 553 CB LYS A 41 17.637 -22.208 11.560 1.00 0.00 C ATOM 554 CG LYS A 41 18.422 -21.507 10.465 1.00 0.00 C ATOM 555 CD LYS A 41 19.902 -21.842 10.538 1.00 0.00 C ATOM 556 CE LYS A 41 20.497 -21.447 11.881 1.00 0.00 C ATOM 557 NZ LYS A 41 21.838 -20.815 11.729 1.00 0.00 N ATOM 0 H LYS A 41 16.955 -23.906 9.568 1.00 0.00 H new ATOM 0 HA LYS A 41 18.665 -24.048 11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.589 -21.918 11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.995 -21.863 12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.030 -21.799 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.287 -20.429 10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.043 -22.911 10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.433 -21.326 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.824 -20.754 12.387 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.581 -22.330 12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.210 -20.560 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.487 -21.485 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.754 -19.958 11.145 1.00 0.00 H new ATOM 571 N ILE A 42 16.843 -24.851 13.464 1.00 0.00 N ATOM 572 CA ILE A 42 15.813 -25.471 14.288 1.00 0.00 C ATOM 573 C ILE A 42 15.875 -24.958 15.723 1.00 0.00 C ATOM 574 O ILE A 42 16.802 -25.275 16.469 1.00 0.00 O ATOM 575 CB ILE A 42 15.948 -27.005 14.297 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.388 -27.415 13.984 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.985 -27.627 13.297 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.672 -27.538 12.503 1.00 0.00 C ATOM 0 H ILE A 42 17.770 -24.833 13.890 1.00 0.00 H new ATOM 0 HA ILE A 42 14.852 -25.201 13.849 1.00 0.00 H new ATOM 0 HB ILE A 42 15.695 -27.371 15.292 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.068 -26.682 14.417 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.599 -28.369 14.467 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.092 -28.712 13.315 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.962 -27.359 13.562 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.210 -27.257 12.297 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.711 -27.832 12.355 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.016 -28.292 12.068 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.493 -26.579 12.017 1.00 0.00 H new ATOM 590 N LEU A 43 14.880 -24.164 16.105 1.00 0.00 N ATOM 591 CA LEU A 43 14.819 -23.608 17.452 1.00 0.00 C ATOM 592 C LEU A 43 13.497 -23.960 18.127 1.00 0.00 C ATOM 593 O LEU A 43 12.455 -24.028 17.476 1.00 0.00 O ATOM 594 CB LEU A 43 14.993 -22.089 17.406 1.00 0.00 C ATOM 595 CG LEU A 43 16.149 -21.572 16.550 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.827 -20.193 15.994 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.437 -21.534 17.360 1.00 0.00 C ATOM 0 H LEU A 43 14.105 -23.891 15.501 1.00 0.00 H new ATOM 0 HA LEU A 43 15.631 -24.043 18.035 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.067 -21.648 17.035 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.132 -21.728 18.425 1.00 0.00 H new ATOM 0 HG LEU A 43 16.289 -22.256 15.713 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.662 -19.841 15.387 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.929 -20.249 15.378 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.659 -19.499 16.817 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.249 -21.163 16.735 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.308 -20.873 18.217 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.677 -22.538 17.709 1.00 0.00 H new ATOM 609 N ASN A 44 13.547 -24.180 19.436 1.00 0.00 N ATOM 610 CA ASN A 44 12.353 -24.523 20.200 1.00 0.00 C ATOM 611 C ASN A 44 11.315 -23.408 20.116 1.00 0.00 C ATOM 612 O ASN A 44 11.352 -22.451 20.889 1.00 0.00 O ATOM 613 CB ASN A 44 12.716 -24.788 21.663 1.00 0.00 C ATOM 614 CG ASN A 44 11.847 -25.861 22.289 1.00 0.00 C ATOM 615 OD1 ASN A 44 10.933 -25.565 23.059 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.128 -27.116 21.960 1.00 0.00 N ATOM 0 H ASN A 44 14.402 -24.127 19.990 1.00 0.00 H new ATOM 0 HA ASN A 44 11.924 -25.428 19.770 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.762 -25.089 21.726 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.615 -23.864 22.233 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.577 -27.881 22.349 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.895 -27.315 21.318 1.00 0.00 H new ATOM 623 N GLY A 45 10.388 -23.539 19.172 1.00 0.00 N ATOM 624 CA GLY A 45 9.352 -22.536 19.005 1.00 0.00 C ATOM 625 C GLY A 45 9.149 -22.150 17.553 1.00 0.00 C ATOM 626 O GLY A 45 8.090 -21.643 17.181 1.00 0.00 O ATOM 0 H GLY A 45 10.336 -24.322 18.520 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.414 -22.915 19.412 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.614 -21.648 19.581 1.00 0.00 H new ATOM 630 N PHE A 46 10.165 -22.387 16.731 1.00 0.00 N ATOM 631 CA PHE A 46 10.094 -22.058 15.313 1.00 0.00 C ATOM 632 C PHE A 46 11.238 -22.713 14.544 1.00 0.00 C ATOM 633 O PHE A 46 12.323 -22.926 15.086 1.00 0.00 O ATOM 634 CB PHE A 46 10.137 -20.541 15.117 1.00 0.00 C ATOM 635 CG PHE A 46 10.787 -19.808 16.255 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.120 -20.026 16.565 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.066 -18.900 17.014 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.720 -19.353 17.612 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.662 -18.223 18.062 1.00 0.00 C ATOM 640 CZ PHE A 46 11.991 -18.450 18.361 1.00 0.00 C ATOM 0 H PHE A 46 11.048 -22.806 17.023 1.00 0.00 H new ATOM 0 HA PHE A 46 9.151 -22.442 14.924 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.675 -20.317 14.196 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.120 -20.170 14.990 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.696 -20.729 15.982 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.026 -18.719 16.784 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.759 -19.533 17.845 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.089 -17.518 18.646 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.459 -17.923 19.179 1.00 0.00 H new ATOM 650 N ALA A 47 10.987 -23.032 13.279 1.00 0.00 N ATOM 651 CA ALA A 47 11.995 -23.661 12.435 1.00 0.00 C ATOM 652 C ALA A 47 12.223 -22.857 11.159 1.00 0.00 C ATOM 653 O ALA A 47 11.365 -22.079 10.743 1.00 0.00 O ATOM 654 CB ALA A 47 11.585 -25.087 12.097 1.00 0.00 C ATOM 0 H ALA A 47 10.094 -22.865 12.816 1.00 0.00 H new ATOM 0 HA ALA A 47 12.933 -23.686 12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.347 -25.545 11.466 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.481 -25.663 13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.633 -25.076 11.566 1.00 0.00 H new ATOM 660 N PHE A 48 13.385 -23.051 10.543 1.00 0.00 N ATOM 661 CA PHE A 48 13.726 -22.343 9.315 1.00 0.00 C ATOM 662 C PHE A 48 14.589 -23.213 8.406 1.00 0.00 C ATOM 663 O PHE A 48 15.347 -24.061 8.877 1.00 0.00 O ATOM 664 CB PHE A 48 14.460 -21.040 9.639 1.00 0.00 C ATOM 665 CG PHE A 48 13.799 -20.232 10.719 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.765 -19.361 10.417 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.213 -20.344 12.037 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.155 -18.617 11.408 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.605 -19.602 13.033 1.00 0.00 C ATOM 670 CZ PHE A 48 12.576 -18.737 12.718 1.00 0.00 C ATOM 0 H PHE A 48 14.106 -23.692 10.874 1.00 0.00 H new ATOM 0 HA PHE A 48 12.799 -22.110 8.791 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.480 -21.273 9.944 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.528 -20.436 8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.432 -19.263 9.394 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.019 -21.018 12.289 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.350 -17.942 11.159 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.935 -19.699 14.057 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.101 -18.155 13.494 1.00 0.00 H new ATOM 680 N VAL A 49 14.466 -22.999 7.100 1.00 0.00 N ATOM 681 CA VAL A 49 15.234 -23.763 6.124 1.00 0.00 C ATOM 682 C VAL A 49 15.580 -22.911 4.909 1.00 0.00 C ATOM 683 O VAL A 49 14.695 -22.398 4.226 1.00 0.00 O ATOM 684 CB VAL A 49 14.464 -25.013 5.659 1.00 0.00 C ATOM 685 CG1 VAL A 49 13.123 -24.622 5.058 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.293 -25.808 4.661 1.00 0.00 C ATOM 0 H VAL A 49 13.842 -22.303 6.693 1.00 0.00 H new ATOM 0 HA VAL A 49 16.154 -24.075 6.619 1.00 0.00 H new ATOM 0 HB VAL A 49 14.275 -25.646 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.594 -25.519 4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.528 -24.099 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.285 -23.968 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.734 -26.688 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.514 -25.185 3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.226 -26.121 5.130 1.00 0.00 H new ATOM 696 N GLU A 50 16.875 -22.765 4.644 1.00 0.00 N ATOM 697 CA GLU A 50 17.338 -21.974 3.510 1.00 0.00 C ATOM 698 C GLU A 50 17.859 -22.876 2.395 1.00 0.00 C ATOM 699 O GLU A 50 18.909 -23.506 2.530 1.00 0.00 O ATOM 700 CB GLU A 50 18.436 -21.003 3.951 1.00 0.00 C ATOM 701 CG GLU A 50 19.052 -20.220 2.804 1.00 0.00 C ATOM 702 CD GLU A 50 19.680 -18.917 3.259 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.093 -18.249 4.135 1.00 0.00 O ATOM 704 OE2 GLU A 50 20.760 -18.566 2.738 1.00 0.00 O ATOM 0 H GLU A 50 17.621 -23.184 5.199 1.00 0.00 H new ATOM 0 HA GLU A 50 16.492 -21.404 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.021 -20.303 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.221 -21.562 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.809 -20.833 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.284 -20.009 2.060 1.00 0.00 H new ATOM 711 N PHE A 51 17.118 -22.932 1.293 1.00 0.00 N ATOM 712 CA PHE A 51 17.504 -23.758 0.154 1.00 0.00 C ATOM 713 C PHE A 51 18.550 -23.050 -0.701 1.00 0.00 C ATOM 714 O PHE A 51 18.577 -21.822 -0.777 1.00 0.00 O ATOM 715 CB PHE A 51 16.278 -24.096 -0.696 1.00 0.00 C ATOM 716 CG PHE A 51 15.588 -25.362 -0.277 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.175 -26.596 -0.509 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.353 -25.320 0.351 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.542 -27.763 -0.125 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.716 -26.483 0.737 1.00 0.00 C ATOM 721 CZ PHE A 51 14.311 -27.707 0.500 1.00 0.00 C ATOM 0 H PHE A 51 16.248 -22.416 1.164 1.00 0.00 H new ATOM 0 HA PHE A 51 17.938 -24.682 0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.569 -23.270 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.582 -24.186 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.138 -26.646 -0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.883 -24.366 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.009 -28.718 -0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.753 -26.436 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.815 -28.618 0.802 1.00 0.00 H new ATOM 731 N GLU A 52 19.411 -23.834 -1.343 1.00 0.00 N ATOM 732 CA GLU A 52 20.460 -23.282 -2.191 1.00 0.00 C ATOM 733 C GLU A 52 19.889 -22.811 -3.526 1.00 0.00 C ATOM 734 O GLU A 52 20.614 -22.291 -4.373 1.00 0.00 O ATOM 735 CB GLU A 52 21.554 -24.325 -2.431 1.00 0.00 C ATOM 736 CG GLU A 52 22.780 -23.769 -3.136 1.00 0.00 C ATOM 737 CD GLU A 52 24.034 -24.570 -2.842 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.941 -25.569 -2.100 1.00 0.00 O ATOM 739 OE2 GLU A 52 25.110 -24.195 -3.355 1.00 0.00 O ATOM 0 H GLU A 52 19.402 -24.853 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 52 20.893 -22.423 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.857 -24.749 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.142 -25.141 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.603 -23.759 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.934 -22.735 -2.829 1.00 0.00 H new ATOM 746 N GLU A 53 18.585 -22.999 -3.704 1.00 0.00 N ATOM 747 CA GLU A 53 17.918 -22.595 -4.936 1.00 0.00 C ATOM 748 C GLU A 53 16.528 -22.037 -4.644 1.00 0.00 C ATOM 749 O GLU A 53 15.702 -22.698 -4.014 1.00 0.00 O ATOM 750 CB GLU A 53 17.812 -23.780 -5.897 1.00 0.00 C ATOM 751 CG GLU A 53 19.052 -23.985 -6.750 1.00 0.00 C ATOM 752 CD GLU A 53 18.772 -24.790 -8.004 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.588 -26.020 -7.892 1.00 0.00 O ATOM 754 OE2 GLU A 53 18.736 -24.190 -9.098 1.00 0.00 O ATOM 0 H GLU A 53 17.971 -23.428 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 53 18.515 -21.811 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.623 -24.687 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.952 -23.631 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.460 -23.014 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.814 -24.493 -6.160 1.00 0.00 H new ATOM 761 N ALA A 54 16.277 -20.816 -5.105 1.00 0.00 N ATOM 762 CA ALA A 54 14.988 -20.169 -4.895 1.00 0.00 C ATOM 763 C ALA A 54 13.841 -21.087 -5.302 1.00 0.00 C ATOM 764 O ALA A 54 12.829 -21.177 -4.607 1.00 0.00 O ATOM 765 CB ALA A 54 14.921 -18.862 -5.670 1.00 0.00 C ATOM 0 H ALA A 54 16.950 -20.255 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 54 14.886 -19.953 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.953 -18.390 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.713 -18.196 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.049 -19.063 -6.734 1.00 0.00 H new ATOM 771 N GLU A 55 14.005 -21.767 -6.433 1.00 0.00 N ATOM 772 CA GLU A 55 12.981 -22.677 -6.932 1.00 0.00 C ATOM 773 C GLU A 55 12.651 -23.746 -5.895 1.00 0.00 C ATOM 774 O GLU A 55 11.489 -23.944 -5.540 1.00 0.00 O ATOM 775 CB GLU A 55 13.444 -23.337 -8.232 1.00 0.00 C ATOM 776 CG GLU A 55 12.303 -23.840 -9.100 1.00 0.00 C ATOM 777 CD GLU A 55 12.787 -24.625 -10.304 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.167 -25.802 -10.130 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.786 -24.062 -11.419 1.00 0.00 O ATOM 0 H GLU A 55 14.837 -21.705 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 55 12.080 -22.096 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.035 -22.621 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.102 -24.172 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.646 -24.470 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.709 -22.992 -9.439 1.00 0.00 H new ATOM 786 N SER A 56 13.681 -24.434 -5.414 1.00 0.00 N ATOM 787 CA SER A 56 13.501 -25.487 -4.421 1.00 0.00 C ATOM 788 C SER A 56 12.745 -24.962 -3.204 1.00 0.00 C ATOM 789 O SER A 56 11.884 -25.646 -2.653 1.00 0.00 O ATOM 790 CB SER A 56 14.858 -26.048 -3.990 1.00 0.00 C ATOM 791 OG SER A 56 14.710 -27.299 -3.342 1.00 0.00 O ATOM 0 H SER A 56 14.649 -24.281 -5.696 1.00 0.00 H new ATOM 0 HA SER A 56 12.914 -26.285 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.502 -26.161 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.350 -25.343 -3.319 1.00 0.00 H new ATOM 0 HG SER A 56 15.069 -27.241 -2.432 1.00 0.00 H new ATOM 797 N ALA A 57 13.075 -23.743 -2.791 1.00 0.00 N ATOM 798 CA ALA A 57 12.427 -23.124 -1.641 1.00 0.00 C ATOM 799 C ALA A 57 10.965 -22.808 -1.939 1.00 0.00 C ATOM 800 O ALA A 57 10.070 -23.204 -1.193 1.00 0.00 O ATOM 801 CB ALA A 57 13.169 -21.861 -1.233 1.00 0.00 C ATOM 0 H ALA A 57 13.787 -23.164 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 57 12.457 -23.833 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.674 -21.410 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.197 -22.112 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.169 -21.155 -2.063 1.00 0.00 H new ATOM 807 N ALA A 58 10.731 -22.092 -3.034 1.00 0.00 N ATOM 808 CA ALA A 58 9.377 -21.725 -3.431 1.00 0.00 C ATOM 809 C ALA A 58 8.479 -22.953 -3.522 1.00 0.00 C ATOM 810 O ALA A 58 7.282 -22.883 -3.242 1.00 0.00 O ATOM 811 CB ALA A 58 9.400 -20.985 -4.761 1.00 0.00 C ATOM 0 H ALA A 58 11.461 -21.755 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 58 8.967 -21.065 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.383 -20.717 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.000 -20.080 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.834 -21.627 -5.527 1.00 0.00 H new ATOM 817 N LYS A 59 9.063 -24.080 -3.917 1.00 0.00 N ATOM 818 CA LYS A 59 8.316 -25.325 -4.045 1.00 0.00 C ATOM 819 C LYS A 59 8.038 -25.936 -2.675 1.00 0.00 C ATOM 820 O LYS A 59 6.892 -26.233 -2.339 1.00 0.00 O ATOM 821 CB LYS A 59 9.090 -26.321 -4.911 1.00 0.00 C ATOM 822 CG LYS A 59 9.010 -26.025 -6.398 1.00 0.00 C ATOM 823 CD LYS A 59 7.696 -26.503 -6.993 1.00 0.00 C ATOM 824 CE LYS A 59 7.592 -26.153 -8.469 1.00 0.00 C ATOM 825 NZ LYS A 59 7.355 -24.698 -8.679 1.00 0.00 N ATOM 0 H LYS A 59 10.052 -24.156 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 59 7.363 -25.100 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.136 -26.320 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.706 -27.324 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.116 -24.953 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.840 -26.510 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.610 -27.582 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.865 -26.051 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.510 -26.449 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.780 -26.722 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.206 -24.513 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.513 -24.403 -8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.181 -24.160 -8.347 1.00 0.00 H new ATOM 839 N ALA A 60 9.093 -26.120 -1.888 1.00 0.00 N ATOM 840 CA ALA A 60 8.961 -26.691 -0.554 1.00 0.00 C ATOM 841 C ALA A 60 7.917 -25.939 0.265 1.00 0.00 C ATOM 842 O ALA A 60 7.228 -26.526 1.099 1.00 0.00 O ATOM 843 CB ALA A 60 10.304 -26.680 0.160 1.00 0.00 C ATOM 0 H ALA A 60 10.049 -25.882 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 60 8.627 -27.723 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.190 -27.109 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.024 -27.269 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.662 -25.654 0.246 1.00 0.00 H new ATOM 849 N ILE A 61 7.807 -24.637 0.021 1.00 0.00 N ATOM 850 CA ILE A 61 6.847 -23.806 0.736 1.00 0.00 C ATOM 851 C ILE A 61 5.415 -24.203 0.397 1.00 0.00 C ATOM 852 O ILE A 61 4.539 -24.202 1.261 1.00 0.00 O ATOM 853 CB ILE A 61 7.044 -22.313 0.412 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.409 -21.836 0.911 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.929 -21.485 1.032 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.941 -20.635 0.161 1.00 0.00 C ATOM 0 H ILE A 61 8.370 -24.136 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 61 7.023 -23.966 1.800 1.00 0.00 H new ATOM 0 HB ILE A 61 7.008 -22.184 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.333 -21.589 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.124 -22.654 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.082 -20.432 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.969 -21.811 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.936 -21.617 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.912 -20.352 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.049 -20.884 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.246 -19.802 0.268 1.00 0.00 H new ATOM 868 N GLU A 62 5.185 -24.544 -0.868 1.00 0.00 N ATOM 869 CA GLU A 62 3.858 -24.946 -1.321 1.00 0.00 C ATOM 870 C GLU A 62 3.661 -26.451 -1.162 1.00 0.00 C ATOM 871 O GLU A 62 2.543 -26.954 -1.261 1.00 0.00 O ATOM 872 CB GLU A 62 3.651 -24.545 -2.783 1.00 0.00 C ATOM 873 CG GLU A 62 3.225 -23.097 -2.962 1.00 0.00 C ATOM 874 CD GLU A 62 3.093 -22.705 -4.421 1.00 0.00 C ATOM 875 OE1 GLU A 62 3.441 -23.529 -5.292 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.640 -21.573 -4.691 1.00 0.00 O ATOM 0 H GLU A 62 5.899 -24.550 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 62 3.121 -24.434 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.578 -24.713 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.896 -25.195 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.271 -22.938 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.953 -22.445 -2.479 1.00 0.00 H new ATOM 883 N GLU A 63 4.757 -27.162 -0.917 1.00 0.00 N ATOM 884 CA GLU A 63 4.705 -28.610 -0.746 1.00 0.00 C ATOM 885 C GLU A 63 4.572 -28.979 0.729 1.00 0.00 C ATOM 886 O GLU A 63 3.552 -29.522 1.155 1.00 0.00 O ATOM 887 CB GLU A 63 5.958 -29.261 -1.335 1.00 0.00 C ATOM 888 CG GLU A 63 6.143 -28.991 -2.819 1.00 0.00 C ATOM 889 CD GLU A 63 5.611 -30.114 -3.687 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.864 -30.966 -3.162 1.00 0.00 O ATOM 891 OE2 GLU A 63 5.941 -30.142 -4.891 1.00 0.00 O ATOM 0 H GLU A 63 5.691 -26.760 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 63 3.828 -28.982 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.833 -28.898 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.908 -30.338 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.636 -28.063 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.203 -28.846 -3.029 1.00 0.00 H new ATOM 898 N VAL A 64 5.610 -28.682 1.503 1.00 0.00 N ATOM 899 CA VAL A 64 5.611 -28.981 2.930 1.00 0.00 C ATOM 900 C VAL A 64 4.375 -28.407 3.613 1.00 0.00 C ATOM 901 O VAL A 64 3.837 -29.000 4.549 1.00 0.00 O ATOM 902 CB VAL A 64 6.870 -28.424 3.620 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.948 -28.908 5.060 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.120 -28.820 2.848 1.00 0.00 C ATOM 0 H VAL A 64 6.462 -28.234 1.166 1.00 0.00 H new ATOM 0 HA VAL A 64 5.604 -30.067 3.025 1.00 0.00 H new ATOM 0 HB VAL A 64 6.806 -27.336 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.844 -28.504 5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.067 -28.570 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.989 -29.997 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.000 -28.418 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.192 -29.907 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.065 -28.419 1.836 1.00 0.00 H new ATOM 914 N HIS A 65 3.927 -27.249 3.138 1.00 0.00 N ATOM 915 CA HIS A 65 2.752 -26.595 3.702 1.00 0.00 C ATOM 916 C HIS A 65 1.522 -27.489 3.582 1.00 0.00 C ATOM 917 O HIS A 65 1.145 -27.901 2.485 1.00 0.00 O ATOM 918 CB HIS A 65 2.498 -25.261 2.997 1.00 0.00 C ATOM 919 CG HIS A 65 1.215 -24.604 3.404 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.216 -24.284 2.509 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.769 -24.209 4.620 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.787 -23.718 3.156 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.477 -23.661 4.438 1.00 0.00 N ATOM 0 H HIS A 65 4.360 -26.745 2.364 1.00 0.00 H new ATOM 0 HA HIS A 65 2.942 -26.409 4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.326 -24.584 3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.487 -25.425 1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.295 -24.307 5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.705 -23.362 2.712 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.067 -23.273 5.174 1.00 0.00 H new ATOM 931 N GLY A 66 0.900 -27.787 4.719 1.00 0.00 N ATOM 932 CA GLY A 66 -0.280 -28.632 4.719 1.00 0.00 C ATOM 933 C GLY A 66 0.053 -30.094 4.935 1.00 0.00 C ATOM 934 O GLY A 66 -0.818 -30.959 4.842 1.00 0.00 O ATOM 0 H GLY A 66 1.192 -27.458 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.962 -28.299 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.804 -28.518 3.770 1.00 0.00 H new ATOM 938 N LYS A 67 1.320 -30.374 5.223 1.00 0.00 N ATOM 939 CA LYS A 67 1.769 -31.742 5.452 1.00 0.00 C ATOM 940 C LYS A 67 1.438 -32.193 6.871 1.00 0.00 C ATOM 941 O LYS A 67 0.795 -31.467 7.629 1.00 0.00 O ATOM 942 CB LYS A 67 3.276 -31.854 5.208 1.00 0.00 C ATOM 943 CG LYS A 67 3.662 -31.781 3.741 1.00 0.00 C ATOM 944 CD LYS A 67 3.179 -33.002 2.976 1.00 0.00 C ATOM 945 CE LYS A 67 4.289 -34.028 2.806 1.00 0.00 C ATOM 946 NZ LYS A 67 3.820 -35.236 2.073 1.00 0.00 N ATOM 0 H LYS A 67 2.054 -29.671 5.303 1.00 0.00 H new ATOM 0 HA LYS A 67 1.245 -32.392 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.783 -31.055 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.634 -32.797 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.238 -30.881 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.745 -31.700 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.341 -33.456 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.811 -32.697 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.122 -33.576 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.666 -34.321 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.605 -35.911 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.042 -35.682 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.484 -34.960 1.128 1.00 0.00 H new ATOM 960 N SER A 68 1.883 -33.394 7.225 1.00 0.00 N ATOM 961 CA SER A 68 1.632 -33.942 8.553 1.00 0.00 C ATOM 962 C SER A 68 2.940 -34.326 9.238 1.00 0.00 C ATOM 963 O SER A 68 3.897 -34.744 8.586 1.00 0.00 O ATOM 964 CB SER A 68 0.715 -35.164 8.458 1.00 0.00 C ATOM 965 OG SER A 68 -0.648 -34.777 8.421 1.00 0.00 O ATOM 0 H SER A 68 2.419 -34.007 6.611 1.00 0.00 H new ATOM 0 HA SER A 68 1.141 -33.173 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.958 -35.736 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.887 -35.819 9.312 1.00 0.00 H new ATOM 0 HG SER A 68 -1.213 -35.575 8.359 1.00 0.00 H new ATOM 971 N PHE A 69 2.973 -34.180 10.559 1.00 0.00 N ATOM 972 CA PHE A 69 4.163 -34.509 11.335 1.00 0.00 C ATOM 973 C PHE A 69 3.871 -34.447 12.831 1.00 0.00 C ATOM 974 O PHE A 69 3.306 -33.471 13.324 1.00 0.00 O ATOM 975 CB PHE A 69 5.306 -33.553 10.986 1.00 0.00 C ATOM 976 CG PHE A 69 6.632 -33.974 11.550 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.989 -33.634 12.845 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.523 -34.711 10.785 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.210 -34.020 13.367 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.744 -35.100 11.302 1.00 0.00 C ATOM 981 CZ PHE A 69 9.088 -34.753 12.594 1.00 0.00 C ATOM 0 H PHE A 69 2.189 -33.836 11.114 1.00 0.00 H new ATOM 0 HA PHE A 69 4.461 -35.527 11.083 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.388 -33.478 9.902 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.062 -32.557 11.356 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.306 -33.061 13.454 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.260 -34.984 9.774 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.476 -33.748 14.378 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.429 -35.675 10.696 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.043 -35.055 12.999 1.00 0.00 H new ATOM 991 N ALA A 70 4.260 -35.496 13.548 1.00 0.00 N ATOM 992 CA ALA A 70 4.042 -35.561 14.988 1.00 0.00 C ATOM 993 C ALA A 70 2.554 -35.516 15.320 1.00 0.00 C ATOM 994 O ALA A 70 2.147 -34.899 16.304 1.00 0.00 O ATOM 995 CB ALA A 70 4.775 -34.424 15.684 1.00 0.00 C ATOM 0 H ALA A 70 4.728 -36.313 13.155 1.00 0.00 H new ATOM 0 HA ALA A 70 4.439 -36.510 15.349 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.604 -34.485 16.759 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.843 -34.502 15.482 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.404 -33.469 15.311 1.00 0.00 H new ATOM 1001 N ASN A 71 1.747 -36.173 14.493 1.00 0.00 N ATOM 1002 CA ASN A 71 0.304 -36.206 14.699 1.00 0.00 C ATOM 1003 C ASN A 71 -0.280 -34.797 14.689 1.00 0.00 C ATOM 1004 O ASN A 71 -1.260 -34.516 15.378 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.027 -36.898 16.023 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.051 -38.409 15.895 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.018 -38.986 15.397 1.00 0.00 O ATOM 1008 ND2 ASN A 71 1.017 -39.058 16.346 1.00 0.00 N ATOM 0 H ASN A 71 2.068 -36.690 13.674 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.142 -36.770 13.880 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.709 -36.611 16.774 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.997 -36.551 16.379 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.058 -40.075 16.287 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.796 -38.539 16.751 1.00 0.00 H new ATOM 1015 N GLN A 72 0.330 -33.915 13.903 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.130 -32.535 13.804 1.00 0.00 C ATOM 1017 C GLN A 72 0.147 -31.967 12.416 1.00 0.00 C ATOM 1018 O GLN A 72 1.110 -32.341 11.746 1.00 0.00 O ATOM 1019 CB GLN A 72 0.552 -31.671 14.866 1.00 0.00 C ATOM 1020 CG GLN A 72 0.234 -32.094 16.291 1.00 0.00 C ATOM 1021 CD GLN A 72 1.028 -31.316 17.322 1.00 0.00 C ATOM 1022 OE1 GLN A 72 2.246 -31.462 17.423 1.00 0.00 O ATOM 1023 NE2 GLN A 72 0.340 -30.484 18.095 1.00 0.00 N ATOM 0 H GLN A 72 1.143 -34.131 13.326 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.207 -32.525 13.973 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.631 -31.710 14.716 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.249 -30.633 14.728 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.831 -31.955 16.478 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.442 -33.158 16.405 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.669 -30.394 17.976 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.821 -29.934 18.807 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.718 -31.043 11.971 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.587 -30.404 10.658 1.00 0.00 C ATOM 1034 C PRO A 73 0.609 -29.461 10.589 1.00 0.00 C ATOM 1035 O PRO A 73 0.750 -28.560 11.416 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.895 -29.622 10.512 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.338 -29.362 11.911 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.889 -30.551 12.715 1.00 0.00 C ATOM 0 HA PRO A 73 -0.420 -31.133 9.865 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.741 -28.691 9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.640 -30.196 9.961 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.897 -28.442 12.295 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.420 -29.243 11.962 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.628 -30.271 13.735 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.670 -31.309 12.782 1.00 0.00 H new ATOM 1046 N LEU A 74 1.467 -29.672 9.597 1.00 0.00 N ATOM 1047 CA LEU A 74 2.651 -28.840 9.419 1.00 0.00 C ATOM 1048 C LEU A 74 2.308 -27.558 8.666 1.00 0.00 C ATOM 1049 O LEU A 74 1.274 -27.475 8.004 1.00 0.00 O ATOM 1050 CB LEU A 74 3.734 -29.613 8.665 1.00 0.00 C ATOM 1051 CG LEU A 74 4.572 -30.582 9.501 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.634 -31.249 8.641 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.213 -29.856 10.675 1.00 0.00 C ATOM 0 H LEU A 74 1.364 -30.413 8.903 1.00 0.00 H new ATOM 0 HA LEU A 74 3.026 -28.571 10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.258 -30.175 7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.406 -28.894 8.196 1.00 0.00 H new ATOM 0 HG LEU A 74 3.913 -31.356 9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.220 -31.935 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.154 -31.803 7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.290 -30.488 8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.805 -30.560 11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.858 -29.061 10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.435 -29.426 11.306 1.00 0.00 H new ATOM 1065 N GLU A 75 3.184 -26.564 8.771 1.00 0.00 N ATOM 1066 CA GLU A 75 2.973 -25.287 8.098 1.00 0.00 C ATOM 1067 C GLU A 75 4.305 -24.619 7.769 1.00 0.00 C ATOM 1068 O GLU A 75 5.166 -24.465 8.636 1.00 0.00 O ATOM 1069 CB GLU A 75 2.126 -24.359 8.970 1.00 0.00 C ATOM 1070 CG GLU A 75 1.990 -22.953 8.410 1.00 0.00 C ATOM 1071 CD GLU A 75 0.814 -22.201 9.002 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -0.302 -22.763 9.017 1.00 0.00 O ATOM 1073 OE2 GLU A 75 1.008 -21.051 9.449 1.00 0.00 O ATOM 0 H GLU A 75 4.045 -26.618 9.315 1.00 0.00 H new ATOM 0 HA GLU A 75 2.443 -25.480 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.133 -24.792 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.569 -24.304 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.907 -22.398 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.875 -23.007 7.327 1.00 0.00 H new ATOM 1080 N VAL A 76 4.468 -24.224 6.510 1.00 0.00 N ATOM 1081 CA VAL A 76 5.694 -23.572 6.066 1.00 0.00 C ATOM 1082 C VAL A 76 5.388 -22.390 5.153 1.00 0.00 C ATOM 1083 O VAL A 76 4.501 -22.462 4.302 1.00 0.00 O ATOM 1084 CB VAL A 76 6.615 -24.556 5.322 1.00 0.00 C ATOM 1085 CG1 VAL A 76 8.018 -23.981 5.192 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.645 -25.900 6.035 1.00 0.00 C ATOM 0 H VAL A 76 3.766 -24.344 5.780 1.00 0.00 H new ATOM 0 HA VAL A 76 6.204 -23.214 6.960 1.00 0.00 H new ATOM 0 HB VAL A 76 6.217 -24.711 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.655 -24.691 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.977 -23.045 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.428 -23.795 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.301 -26.583 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.018 -25.765 7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.638 -26.316 6.070 1.00 0.00 H new ATOM 1096 N VAL A 77 6.129 -21.301 5.334 1.00 0.00 N ATOM 1097 CA VAL A 77 5.938 -20.103 4.526 1.00 0.00 C ATOM 1098 C VAL A 77 7.274 -19.450 4.188 1.00 0.00 C ATOM 1099 O VAL A 77 8.318 -19.845 4.707 1.00 0.00 O ATOM 1100 CB VAL A 77 5.044 -19.076 5.246 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.758 -19.732 5.725 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.793 -18.440 6.407 1.00 0.00 C ATOM 0 H VAL A 77 6.867 -21.224 6.034 1.00 0.00 H new ATOM 0 HA VAL A 77 5.447 -20.417 3.605 1.00 0.00 H new ATOM 0 HB VAL A 77 4.781 -18.289 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.139 -18.992 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.215 -20.136 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.997 -20.539 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.147 -17.717 6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.087 -19.213 7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.683 -17.934 6.032 1.00 0.00 H new ATOM 1112 N TYR A 78 7.232 -18.448 3.317 1.00 0.00 N ATOM 1113 CA TYR A 78 8.440 -17.741 2.908 1.00 0.00 C ATOM 1114 C TYR A 78 8.991 -16.897 4.054 1.00 0.00 C ATOM 1115 O TYR A 78 8.502 -15.800 4.323 1.00 0.00 O ATOM 1116 CB TYR A 78 8.150 -16.850 1.698 1.00 0.00 C ATOM 1117 CG TYR A 78 8.784 -17.344 0.417 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.157 -17.534 0.327 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.009 -17.620 -0.702 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.740 -17.984 -0.842 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.583 -18.072 -1.875 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.949 -18.251 -1.940 1.00 0.00 C ATOM 1123 OH TYR A 78 10.526 -18.701 -3.105 1.00 0.00 O ATOM 0 H TYR A 78 6.375 -18.107 2.881 1.00 0.00 H new ATOM 0 HA TYR A 78 9.190 -18.483 2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.071 -16.782 1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.508 -15.842 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.779 -17.327 1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.939 -17.479 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.809 -18.126 -0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.966 -18.284 -2.736 1.00 0.00 H new ATOM 0 HH TYR A 78 11.333 -19.215 -2.893 1.00 0.00 H new ATOM 1133 N SER A 79 10.013 -17.419 4.724 1.00 0.00 N ATOM 1134 CA SER A 79 10.631 -16.717 5.844 1.00 0.00 C ATOM 1135 C SER A 79 10.998 -15.288 5.453 1.00 0.00 C ATOM 1136 O SER A 79 11.727 -15.065 4.486 1.00 0.00 O ATOM 1137 CB SER A 79 11.878 -17.465 6.317 1.00 0.00 C ATOM 1138 OG SER A 79 12.784 -16.589 6.965 1.00 0.00 O ATOM 0 H SER A 79 10.431 -18.325 4.511 1.00 0.00 H new ATOM 0 HA SER A 79 9.909 -16.678 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.589 -18.264 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.369 -17.935 5.465 1.00 0.00 H new ATOM 0 HG SER A 79 13.396 -17.109 7.527 1.00 0.00 H new ATOM 1144 N LYS A 80 10.488 -14.324 6.211 1.00 0.00 N ATOM 1145 CA LYS A 80 10.762 -12.917 5.948 1.00 0.00 C ATOM 1146 C LYS A 80 12.120 -12.512 6.511 1.00 0.00 C ATOM 1147 O LYS A 80 12.772 -13.291 7.207 1.00 0.00 O ATOM 1148 CB LYS A 80 9.664 -12.040 6.554 1.00 0.00 C ATOM 1149 CG LYS A 80 8.259 -12.491 6.197 1.00 0.00 C ATOM 1150 CD LYS A 80 7.577 -13.174 7.370 1.00 0.00 C ATOM 1151 CE LYS A 80 6.600 -12.241 8.068 1.00 0.00 C ATOM 1152 NZ LYS A 80 5.288 -12.185 7.366 1.00 0.00 N ATOM 0 H LYS A 80 9.882 -14.492 7.014 1.00 0.00 H new ATOM 0 HA LYS A 80 10.779 -12.772 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.771 -12.037 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.804 -11.013 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.669 -11.630 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.300 -13.176 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.048 -14.060 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.329 -13.513 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.449 -12.576 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.028 -11.240 8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.650 -11.539 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.428 -11.842 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.868 -13.136 7.340 1.00 0.00 H new TER 1166 LYS A 80