USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 862 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 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 73 HIS : no HD1:sc= 0 X(o=-0.94,f=-0.97) USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= -0.943 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0432 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -21:sc= 0.596 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0899) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 32:sc= 1.06 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 1:sc= 0.0299 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -129:sc= 0.0608 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= -2.07 (180deg=-2.15) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 156:sc= -0.599 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 1.22 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 98 TYR OH : rot 141:sc= 0.0722 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -2.74! C(o=-2.7!,f=-2.6!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -1:sc= 0.547! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.650 -15.805 -36.515 1.00 0.00 N ATOM 2 CA GLY A 1 -22.676 -16.576 -35.286 1.00 0.00 C ATOM 3 C GLY A 1 -21.289 -16.983 -34.828 1.00 0.00 C ATOM 4 O GLY A 1 -20.369 -17.099 -35.637 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.878 -14.812 -36.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.702 -15.861 -36.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.351 -16.189 -37.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.156 -15.990 -34.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.283 -17.469 -35.434 1.00 0.00 H new ATOM 8 N SER A 2 -21.138 -17.200 -33.525 1.00 0.00 N ATOM 9 CA SER A 2 -19.852 -17.591 -32.959 1.00 0.00 C ATOM 10 C SER A 2 -20.010 -18.040 -31.510 1.00 0.00 C ATOM 11 O SER A 2 -20.436 -17.267 -30.652 1.00 0.00 O ATOM 12 CB SER A 2 -18.861 -16.428 -33.039 1.00 0.00 C ATOM 13 OG SER A 2 -17.616 -16.779 -32.460 1.00 0.00 O ATOM 0 H SER A 2 -21.890 -17.112 -32.842 1.00 0.00 H new ATOM 0 HA SER A 2 -19.467 -18.428 -33.541 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.714 -16.142 -34.081 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.273 -15.559 -32.525 1.00 0.00 H new ATOM 0 HG SER A 2 -16.999 -16.020 -32.525 1.00 0.00 H new ATOM 19 N SER A 3 -19.665 -19.296 -31.245 1.00 0.00 N ATOM 20 CA SER A 3 -19.772 -19.851 -29.901 1.00 0.00 C ATOM 21 C SER A 3 -18.862 -21.065 -29.740 1.00 0.00 C ATOM 22 O SER A 3 -18.242 -21.522 -30.700 1.00 0.00 O ATOM 23 CB SER A 3 -21.220 -20.242 -29.601 1.00 0.00 C ATOM 24 OG SER A 3 -22.095 -19.145 -29.799 1.00 0.00 O ATOM 0 H SER A 3 -19.309 -19.948 -31.943 1.00 0.00 H new ATOM 0 HA SER A 3 -19.456 -19.085 -29.193 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.518 -21.070 -30.245 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.300 -20.594 -28.572 1.00 0.00 H new ATOM 0 HG SER A 3 -21.586 -18.309 -29.758 1.00 0.00 H new ATOM 30 N GLY A 4 -18.787 -21.584 -28.518 1.00 0.00 N ATOM 31 CA GLY A 4 -17.951 -22.740 -28.253 1.00 0.00 C ATOM 32 C GLY A 4 -17.448 -22.776 -26.824 1.00 0.00 C ATOM 33 O GLY A 4 -16.919 -21.785 -26.320 1.00 0.00 O ATOM 0 H GLY A 4 -19.290 -21.224 -27.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.517 -23.649 -28.459 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.100 -22.733 -28.934 1.00 0.00 H new ATOM 37 N SER A 5 -17.614 -23.920 -26.168 1.00 0.00 N ATOM 38 CA SER A 5 -17.178 -24.079 -24.786 1.00 0.00 C ATOM 39 C SER A 5 -17.066 -25.556 -24.418 1.00 0.00 C ATOM 40 O SER A 5 -17.581 -26.423 -25.124 1.00 0.00 O ATOM 41 CB SER A 5 -18.151 -23.378 -23.837 1.00 0.00 C ATOM 42 OG SER A 5 -17.577 -23.204 -22.554 1.00 0.00 O ATOM 0 H SER A 5 -18.047 -24.750 -26.572 1.00 0.00 H new ATOM 0 HA SER A 5 -16.193 -23.622 -24.687 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.430 -22.408 -24.249 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.067 -23.963 -23.753 1.00 0.00 H new ATOM 0 HG SER A 5 -18.219 -22.752 -21.967 1.00 0.00 H new ATOM 48 N SER A 6 -16.390 -25.833 -23.307 1.00 0.00 N ATOM 49 CA SER A 6 -16.207 -27.205 -22.847 1.00 0.00 C ATOM 50 C SER A 6 -15.599 -27.231 -21.447 1.00 0.00 C ATOM 51 O SER A 6 -15.098 -26.220 -20.957 1.00 0.00 O ATOM 52 CB SER A 6 -15.313 -27.977 -23.818 1.00 0.00 C ATOM 53 OG SER A 6 -15.621 -29.360 -23.806 1.00 0.00 O ATOM 0 H SER A 6 -15.961 -25.127 -22.710 1.00 0.00 H new ATOM 0 HA SER A 6 -17.186 -27.683 -22.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.440 -27.582 -24.826 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.267 -27.832 -23.548 1.00 0.00 H new ATOM 0 HG SER A 6 -15.037 -29.831 -24.436 1.00 0.00 H new ATOM 59 N GLY A 7 -15.648 -28.397 -20.809 1.00 0.00 N ATOM 60 CA GLY A 7 -15.099 -28.534 -19.473 1.00 0.00 C ATOM 61 C GLY A 7 -15.859 -27.717 -18.447 1.00 0.00 C ATOM 62 O GLY A 7 -16.386 -26.649 -18.761 1.00 0.00 O ATOM 0 H GLY A 7 -16.058 -29.248 -21.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.117 -29.584 -19.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.054 -28.223 -19.479 1.00 0.00 H new ATOM 66 N ARG A 8 -15.917 -28.219 -17.218 1.00 0.00 N ATOM 67 CA ARG A 8 -16.621 -27.529 -16.144 1.00 0.00 C ATOM 68 C ARG A 8 -16.384 -28.224 -14.806 1.00 0.00 C ATOM 69 O ARG A 8 -16.919 -29.303 -14.552 1.00 0.00 O ATOM 70 CB ARG A 8 -18.121 -27.472 -16.442 1.00 0.00 C ATOM 71 CG ARG A 8 -18.884 -26.514 -15.542 1.00 0.00 C ATOM 72 CD ARG A 8 -18.683 -25.068 -15.969 1.00 0.00 C ATOM 73 NE ARG A 8 -17.468 -24.493 -15.398 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.408 -23.962 -14.181 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.487 -23.934 -13.412 1.00 0.00 N ATOM 76 NH2 ARG A 8 -16.265 -23.459 -13.732 1.00 0.00 N ATOM 0 H ARG A 8 -15.485 -29.101 -16.941 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.231 -26.513 -16.082 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.266 -27.175 -17.481 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.542 -28.472 -16.335 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.946 -26.758 -15.567 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.552 -26.639 -14.511 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -18.633 -25.015 -17.057 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.544 -24.476 -15.660 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.619 -24.499 -15.964 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.367 -24.321 -13.754 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.438 -23.526 -12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.432 -23.480 -14.321 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.219 -23.052 -12.798 1.00 0.00 H new ATOM 90 N SER A 9 -15.580 -27.596 -13.954 1.00 0.00 N ATOM 91 CA SER A 9 -15.269 -28.155 -12.643 1.00 0.00 C ATOM 92 C SER A 9 -15.992 -27.389 -11.540 1.00 0.00 C ATOM 93 O SER A 9 -15.970 -26.159 -11.487 1.00 0.00 O ATOM 94 CB SER A 9 -13.759 -28.123 -12.397 1.00 0.00 C ATOM 95 OG SER A 9 -13.463 -28.291 -11.021 1.00 0.00 O ATOM 0 H SER A 9 -15.132 -26.700 -14.148 1.00 0.00 H new ATOM 0 HA SER A 9 -15.611 -29.190 -12.626 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.276 -28.911 -12.975 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.350 -27.175 -12.747 1.00 0.00 H new ATOM 0 HG SER A 9 -12.492 -28.268 -10.890 1.00 0.00 H new ATOM 101 N PRO A 10 -16.648 -28.132 -10.636 1.00 0.00 N ATOM 102 CA PRO A 10 -17.390 -27.544 -9.517 1.00 0.00 C ATOM 103 C PRO A 10 -16.468 -26.917 -8.476 1.00 0.00 C ATOM 104 O PRO A 10 -16.895 -26.083 -7.677 1.00 0.00 O ATOM 105 CB PRO A 10 -18.135 -28.740 -8.919 1.00 0.00 C ATOM 106 CG PRO A 10 -17.316 -29.925 -9.298 1.00 0.00 C ATOM 107 CD PRO A 10 -16.716 -29.603 -10.638 1.00 0.00 C ATOM 0 HA PRO A 10 -18.044 -26.735 -9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.224 -28.650 -7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -19.147 -28.815 -9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.539 -30.115 -8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -17.931 -30.823 -9.352 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.729 -30.051 -10.755 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -17.334 -29.976 -11.455 1.00 0.00 H new ATOM 115 N PHE A 11 -15.203 -27.323 -8.492 1.00 0.00 N ATOM 116 CA PHE A 11 -14.221 -26.800 -7.549 1.00 0.00 C ATOM 117 C PHE A 11 -14.843 -26.603 -6.170 1.00 0.00 C ATOM 118 O PHE A 11 -14.589 -25.602 -5.499 1.00 0.00 O ATOM 119 CB PHE A 11 -13.649 -25.476 -8.058 1.00 0.00 C ATOM 120 CG PHE A 11 -12.278 -25.171 -7.524 1.00 0.00 C ATOM 121 CD1 PHE A 11 -11.147 -25.635 -8.176 1.00 0.00 C ATOM 122 CD2 PHE A 11 -12.120 -24.419 -6.371 1.00 0.00 C ATOM 123 CE1 PHE A 11 -9.885 -25.357 -7.687 1.00 0.00 C ATOM 124 CE2 PHE A 11 -10.861 -24.137 -5.877 1.00 0.00 C ATOM 125 CZ PHE A 11 -9.741 -24.606 -6.537 1.00 0.00 C ATOM 0 H PHE A 11 -14.834 -28.012 -9.147 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.413 -27.527 -7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.609 -25.501 -9.147 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.326 -24.667 -7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.253 -26.221 -9.077 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.992 -24.049 -5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.012 -25.727 -8.204 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.752 -23.551 -4.976 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.755 -24.386 -6.154 1.00 0.00 H new ATOM 135 N LYS A 12 -15.660 -27.564 -5.753 1.00 0.00 N ATOM 136 CA LYS A 12 -16.319 -27.498 -4.454 1.00 0.00 C ATOM 137 C LYS A 12 -15.403 -28.021 -3.352 1.00 0.00 C ATOM 138 O LYS A 12 -15.842 -28.744 -2.457 1.00 0.00 O ATOM 139 CB LYS A 12 -17.619 -28.306 -4.477 1.00 0.00 C ATOM 140 CG LYS A 12 -18.527 -28.030 -3.291 1.00 0.00 C ATOM 141 CD LYS A 12 -19.384 -26.796 -3.520 1.00 0.00 C ATOM 142 CE LYS A 12 -20.637 -27.127 -4.316 1.00 0.00 C ATOM 143 NZ LYS A 12 -21.636 -26.024 -4.262 1.00 0.00 N ATOM 0 H LYS A 12 -15.882 -28.398 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 12 -16.551 -26.454 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -18.159 -28.083 -5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -17.376 -29.368 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -19.170 -28.893 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.924 -27.894 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.665 -26.364 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.803 -26.042 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.367 -27.322 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.084 -28.041 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -22.475 -26.288 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.913 -25.855 -3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.218 -25.158 -4.658 1.00 0.00 H new ATOM 157 N VAL A 13 -14.129 -27.649 -3.422 1.00 0.00 N ATOM 158 CA VAL A 13 -13.151 -28.078 -2.428 1.00 0.00 C ATOM 159 C VAL A 13 -12.882 -26.976 -1.410 1.00 0.00 C ATOM 160 O VAL A 13 -12.621 -25.829 -1.774 1.00 0.00 O ATOM 161 CB VAL A 13 -11.822 -28.487 -3.089 1.00 0.00 C ATOM 162 CG1 VAL A 13 -12.029 -29.674 -4.017 1.00 0.00 C ATOM 163 CG2 VAL A 13 -11.218 -27.311 -3.842 1.00 0.00 C ATOM 0 H VAL A 13 -13.749 -27.052 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.576 -28.943 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.125 -28.786 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.078 -29.948 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.414 -30.519 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.743 -29.407 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.279 -27.618 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.911 -26.980 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.031 -26.492 -3.148 1.00 0.00 H new ATOM 173 N LYS A 14 -12.947 -27.331 -0.131 1.00 0.00 N ATOM 174 CA LYS A 14 -12.709 -26.373 0.942 1.00 0.00 C ATOM 175 C LYS A 14 -11.288 -26.503 1.482 1.00 0.00 C ATOM 176 O LYS A 14 -11.059 -27.151 2.504 1.00 0.00 O ATOM 177 CB LYS A 14 -13.718 -26.583 2.074 1.00 0.00 C ATOM 178 CG LYS A 14 -15.160 -26.366 1.651 1.00 0.00 C ATOM 179 CD LYS A 14 -15.794 -27.652 1.148 1.00 0.00 C ATOM 180 CE LYS A 14 -17.305 -27.633 1.318 1.00 0.00 C ATOM 181 NZ LYS A 14 -17.954 -26.660 0.396 1.00 0.00 N ATOM 0 H LYS A 14 -13.163 -28.276 0.188 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.833 -25.370 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.610 -27.596 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.481 -25.902 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.734 -25.982 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.200 -25.609 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.547 -27.793 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.377 -28.501 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.704 -28.630 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.551 -27.377 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.984 -26.806 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.739 -25.691 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.594 -26.803 -0.569 1.00 0.00 H new ATOM 195 N VAL A 15 -10.338 -25.882 0.790 1.00 0.00 N ATOM 196 CA VAL A 15 -8.940 -25.927 1.202 1.00 0.00 C ATOM 197 C VAL A 15 -8.380 -24.522 1.397 1.00 0.00 C ATOM 198 O VAL A 15 -8.823 -23.570 0.753 1.00 0.00 O ATOM 199 CB VAL A 15 -8.075 -26.675 0.171 1.00 0.00 C ATOM 200 CG1 VAL A 15 -8.550 -28.112 0.017 1.00 0.00 C ATOM 201 CG2 VAL A 15 -8.096 -25.951 -1.167 1.00 0.00 C ATOM 0 H VAL A 15 -10.511 -25.342 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.906 -26.463 2.150 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.046 -26.695 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.927 -28.625 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.478 -28.624 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.586 -28.118 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.480 -26.493 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.120 -25.898 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.703 -24.942 -1.041 1.00 0.00 H new ATOM 211 N LEU A 16 -7.402 -24.400 2.288 1.00 0.00 N ATOM 212 CA LEU A 16 -6.779 -23.111 2.568 1.00 0.00 C ATOM 213 C LEU A 16 -5.922 -22.654 1.392 1.00 0.00 C ATOM 214 O LEU A 16 -5.275 -23.454 0.715 1.00 0.00 O ATOM 215 CB LEU A 16 -5.924 -23.200 3.833 1.00 0.00 C ATOM 216 CG LEU A 16 -6.608 -23.791 5.066 1.00 0.00 C ATOM 217 CD1 LEU A 16 -5.576 -24.344 6.035 1.00 0.00 C ATOM 218 CD2 LEU A 16 -7.476 -22.743 5.748 1.00 0.00 C ATOM 0 H LEU A 16 -7.023 -25.178 2.829 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.571 -22.378 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.042 -23.800 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.574 -22.198 4.082 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.249 -24.611 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.081 -24.760 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.997 -25.126 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.908 -23.543 6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.955 -23.181 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.856 -21.902 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.240 -22.395 5.053 1.00 0.00 H new ATOM 230 N PRO A 17 -5.913 -21.336 1.142 1.00 0.00 N ATOM 231 CA PRO A 17 -5.137 -20.742 0.050 1.00 0.00 C ATOM 232 C PRO A 17 -3.635 -20.802 0.306 1.00 0.00 C ATOM 233 O PRO A 17 -3.188 -20.773 1.453 1.00 0.00 O ATOM 234 CB PRO A 17 -5.617 -19.289 0.023 1.00 0.00 C ATOM 235 CG PRO A 17 -6.097 -19.023 1.408 1.00 0.00 C ATOM 236 CD PRO A 17 -6.660 -20.324 1.908 1.00 0.00 C ATOM 0 HA PRO A 17 -5.286 -21.272 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.810 -18.611 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.415 -19.149 -0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.281 -18.680 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.856 -18.241 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.510 -20.441 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.733 -20.394 1.727 1.00 0.00 H new ATOM 244 N THR A 18 -2.859 -20.887 -0.770 1.00 0.00 N ATOM 245 CA THR A 18 -1.407 -20.953 -0.662 1.00 0.00 C ATOM 246 C THR A 18 -0.837 -19.650 -0.113 1.00 0.00 C ATOM 247 O THR A 18 0.129 -19.656 0.650 1.00 0.00 O ATOM 248 CB THR A 18 -0.755 -21.251 -2.025 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.323 -22.437 -2.591 1.00 0.00 O ATOM 250 CG2 THR A 18 0.750 -21.424 -1.879 1.00 0.00 C ATOM 0 H THR A 18 -3.212 -20.912 -1.727 1.00 0.00 H new ATOM 0 HA THR A 18 -1.178 -21.766 0.027 1.00 0.00 H new ATOM 0 HB THR A 18 -0.946 -20.406 -2.686 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.904 -22.619 -3.458 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.188 -21.634 -2.855 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.184 -20.509 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.957 -22.253 -1.202 1.00 0.00 H new ATOM 258 N TYR A 19 -1.442 -18.534 -0.505 1.00 0.00 N ATOM 259 CA TYR A 19 -0.994 -17.222 -0.053 1.00 0.00 C ATOM 260 C TYR A 19 -1.273 -17.033 1.435 1.00 0.00 C ATOM 261 O TYR A 19 -1.866 -17.897 2.081 1.00 0.00 O ATOM 262 CB TYR A 19 -1.684 -16.119 -0.857 1.00 0.00 C ATOM 263 CG TYR A 19 -3.109 -15.855 -0.424 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.391 -14.949 0.591 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.172 -16.512 -1.030 1.00 0.00 C ATOM 266 CE1 TYR A 19 -4.691 -14.706 0.991 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.476 -16.274 -0.638 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.730 -15.370 0.373 1.00 0.00 C ATOM 269 OH TYR A 19 -7.026 -15.130 0.767 1.00 0.00 O ATOM 0 H TYR A 19 -2.244 -18.512 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 19 0.082 -17.159 -0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.108 -15.198 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.678 -16.392 -1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.580 -14.426 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.976 -17.221 -1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.892 -14.000 1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.291 -16.793 -1.120 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.111 -14.200 1.065 1.00 0.00 H new ATOM 279 N ASP A 20 -0.842 -15.897 1.972 1.00 0.00 N ATOM 280 CA ASP A 20 -1.046 -15.592 3.383 1.00 0.00 C ATOM 281 C ASP A 20 -0.722 -14.131 3.676 1.00 0.00 C ATOM 282 O ASP A 20 0.314 -13.618 3.253 1.00 0.00 O ATOM 283 CB ASP A 20 -0.181 -16.504 4.254 1.00 0.00 C ATOM 284 CG ASP A 20 -0.891 -17.789 4.631 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.994 -17.710 5.211 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.344 -18.875 4.345 1.00 0.00 O ATOM 0 H ASP A 20 -0.349 -15.172 1.451 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.096 -15.766 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.739 -16.744 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.105 -15.971 5.161 1.00 0.00 H new ATOM 291 N ALA A 21 -1.615 -13.465 4.401 1.00 0.00 N ATOM 292 CA ALA A 21 -1.423 -12.063 4.751 1.00 0.00 C ATOM 293 C ALA A 21 -0.484 -11.919 5.944 1.00 0.00 C ATOM 294 O ALA A 21 0.425 -11.089 5.933 1.00 0.00 O ATOM 295 CB ALA A 21 -2.763 -11.406 5.048 1.00 0.00 C ATOM 0 H ALA A 21 -2.479 -13.874 4.757 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.965 -11.560 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.605 -10.359 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.402 -11.469 4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.243 -11.919 5.882 1.00 0.00 H new ATOM 301 N SER A 22 -0.711 -12.731 6.971 1.00 0.00 N ATOM 302 CA SER A 22 0.113 -12.690 8.174 1.00 0.00 C ATOM 303 C SER A 22 1.596 -12.725 7.818 1.00 0.00 C ATOM 304 O SER A 22 2.428 -12.148 8.518 1.00 0.00 O ATOM 305 CB SER A 22 -0.231 -13.863 9.093 1.00 0.00 C ATOM 306 OG SER A 22 0.194 -15.093 8.531 1.00 0.00 O ATOM 0 H SER A 22 -1.458 -13.425 6.995 1.00 0.00 H new ATOM 0 HA SER A 22 -0.095 -11.756 8.696 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.244 -13.720 10.064 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.307 -13.891 9.265 1.00 0.00 H new ATOM 0 HG SER A 22 -0.036 -15.827 9.138 1.00 0.00 H new ATOM 312 N LYS A 23 1.919 -13.407 6.725 1.00 0.00 N ATOM 313 CA LYS A 23 3.301 -13.518 6.273 1.00 0.00 C ATOM 314 C LYS A 23 3.670 -12.356 5.357 1.00 0.00 C ATOM 315 O LYS A 23 4.576 -12.466 4.531 1.00 0.00 O ATOM 316 CB LYS A 23 3.515 -14.845 5.541 1.00 0.00 C ATOM 317 CG LYS A 23 3.408 -16.062 6.444 1.00 0.00 C ATOM 318 CD LYS A 23 4.571 -16.137 7.419 1.00 0.00 C ATOM 319 CE LYS A 23 4.564 -17.445 8.195 1.00 0.00 C ATOM 320 NZ LYS A 23 5.498 -17.407 9.354 1.00 0.00 N ATOM 0 H LYS A 23 1.242 -13.892 6.135 1.00 0.00 H new ATOM 0 HA LYS A 23 3.947 -13.485 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.780 -14.931 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.499 -14.837 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.470 -16.024 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.383 -16.966 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.510 -16.041 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.519 -15.300 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.554 -17.652 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.843 -18.263 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.464 -18.317 9.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.466 -17.235 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.217 -16.643 10.001 1.00 0.00 H new ATOM 334 N VAL A 24 2.962 -11.241 5.510 1.00 0.00 N ATOM 335 CA VAL A 24 3.216 -10.057 4.698 1.00 0.00 C ATOM 336 C VAL A 24 3.758 -8.914 5.549 1.00 0.00 C ATOM 337 O VAL A 24 3.182 -8.563 6.579 1.00 0.00 O ATOM 338 CB VAL A 24 1.939 -9.585 3.977 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.203 -8.297 3.212 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.421 -10.671 3.048 1.00 0.00 C ATOM 0 H VAL A 24 2.208 -11.133 6.189 1.00 0.00 H new ATOM 0 HA VAL A 24 3.961 -10.338 3.954 1.00 0.00 H new ATOM 0 HB VAL A 24 1.173 -9.383 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.290 -7.979 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.524 -7.521 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.984 -8.467 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.519 -10.321 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.182 -10.906 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.191 -11.566 3.627 1.00 0.00 H new ATOM 350 N THR A 25 4.872 -8.334 5.111 1.00 0.00 N ATOM 351 CA THR A 25 5.493 -7.230 5.832 1.00 0.00 C ATOM 352 C THR A 25 5.968 -6.144 4.873 1.00 0.00 C ATOM 353 O THR A 25 6.146 -6.391 3.681 1.00 0.00 O ATOM 354 CB THR A 25 6.688 -7.712 6.676 1.00 0.00 C ATOM 355 OG1 THR A 25 7.635 -8.389 5.842 1.00 0.00 O ATOM 356 CG2 THR A 25 6.227 -8.643 7.787 1.00 0.00 C ATOM 0 H THR A 25 5.362 -8.611 4.260 1.00 0.00 H new ATOM 0 HA THR A 25 4.732 -6.818 6.495 1.00 0.00 H new ATOM 0 HB THR A 25 7.160 -6.840 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.320 -8.379 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.089 -8.970 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.529 -8.116 8.437 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.732 -9.512 7.352 1.00 0.00 H new ATOM 364 N ALA A 26 6.171 -4.942 5.402 1.00 0.00 N ATOM 365 CA ALA A 26 6.628 -3.819 4.592 1.00 0.00 C ATOM 366 C ALA A 26 7.645 -2.974 5.350 1.00 0.00 C ATOM 367 O ALA A 26 7.578 -2.853 6.574 1.00 0.00 O ATOM 368 CB ALA A 26 5.445 -2.964 4.160 1.00 0.00 C ATOM 0 H ALA A 26 6.026 -4.721 6.387 1.00 0.00 H new ATOM 0 HA ALA A 26 7.117 -4.219 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.801 -2.129 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.754 -3.569 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.932 -2.581 5.042 1.00 0.00 H new ATOM 374 N SER A 27 8.588 -2.391 4.617 1.00 0.00 N ATOM 375 CA SER A 27 9.623 -1.560 5.221 1.00 0.00 C ATOM 376 C SER A 27 10.040 -0.438 4.275 1.00 0.00 C ATOM 377 O SER A 27 9.960 -0.577 3.056 1.00 0.00 O ATOM 378 CB SER A 27 10.840 -2.411 5.588 1.00 0.00 C ATOM 379 OG SER A 27 11.357 -3.079 4.451 1.00 0.00 O ATOM 0 H SER A 27 8.657 -2.479 3.603 1.00 0.00 H new ATOM 0 HA SER A 27 9.213 -1.114 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.612 -1.777 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.561 -3.142 6.347 1.00 0.00 H new ATOM 0 HG SER A 27 12.135 -3.615 4.712 1.00 0.00 H new ATOM 385 N GLY A 28 10.485 0.676 4.849 1.00 0.00 N ATOM 386 CA GLY A 28 10.908 1.807 4.044 1.00 0.00 C ATOM 387 C GLY A 28 10.539 3.136 4.671 1.00 0.00 C ATOM 388 O GLY A 28 9.976 3.196 5.765 1.00 0.00 O ATOM 0 H GLY A 28 10.560 0.815 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.988 1.764 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.453 1.736 3.056 1.00 0.00 H new ATOM 392 N PRO A 29 10.860 4.235 3.973 1.00 0.00 N ATOM 393 CA PRO A 29 10.569 5.590 4.450 1.00 0.00 C ATOM 394 C PRO A 29 9.076 5.901 4.438 1.00 0.00 C ATOM 395 O PRO A 29 8.573 6.612 5.307 1.00 0.00 O ATOM 396 CB PRO A 29 11.308 6.484 3.452 1.00 0.00 C ATOM 397 CG PRO A 29 11.404 5.667 2.209 1.00 0.00 C ATOM 398 CD PRO A 29 11.532 4.239 2.662 1.00 0.00 C ATOM 0 HA PRO A 29 10.881 5.733 5.484 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.765 7.412 3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.296 6.758 3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.521 5.801 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.265 5.966 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.055 3.552 1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.576 3.936 2.745 1.00 0.00 H new ATOM 406 N GLY A 30 8.371 5.362 3.448 1.00 0.00 N ATOM 407 CA GLY A 30 6.942 5.593 3.343 1.00 0.00 C ATOM 408 C GLY A 30 6.199 5.210 4.607 1.00 0.00 C ATOM 409 O GLY A 30 5.182 5.817 4.946 1.00 0.00 O ATOM 0 H GLY A 30 8.764 4.769 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.762 6.646 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.545 5.021 2.504 1.00 0.00 H new ATOM 413 N LEU A 31 6.704 4.199 5.305 1.00 0.00 N ATOM 414 CA LEU A 31 6.080 3.734 6.539 1.00 0.00 C ATOM 415 C LEU A 31 6.928 4.104 7.751 1.00 0.00 C ATOM 416 O LEU A 31 6.855 3.454 8.794 1.00 0.00 O ATOM 417 CB LEU A 31 5.873 2.219 6.490 1.00 0.00 C ATOM 418 CG LEU A 31 5.190 1.675 5.235 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.575 0.222 5.004 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.679 1.816 5.347 1.00 0.00 C ATOM 0 H LEU A 31 7.544 3.685 5.038 1.00 0.00 H new ATOM 0 HA LEU A 31 5.111 4.224 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.845 1.736 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.282 1.925 7.357 1.00 0.00 H new ATOM 0 HG LEU A 31 5.528 2.259 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.079 -0.148 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.655 0.147 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.267 -0.377 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.209 1.424 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.325 1.257 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.419 2.868 5.463 1.00 0.00 H new ATOM 432 N SER A 32 7.730 5.154 7.608 1.00 0.00 N ATOM 433 CA SER A 32 8.593 5.610 8.691 1.00 0.00 C ATOM 434 C SER A 32 7.766 6.124 9.865 1.00 0.00 C ATOM 435 O SER A 32 6.920 7.003 9.705 1.00 0.00 O ATOM 436 CB SER A 32 9.532 6.711 8.194 1.00 0.00 C ATOM 437 OG SER A 32 10.153 7.379 9.278 1.00 0.00 O ATOM 0 H SER A 32 7.800 5.705 6.753 1.00 0.00 H new ATOM 0 HA SER A 32 9.187 4.761 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.293 6.278 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.972 7.428 7.594 1.00 0.00 H new ATOM 0 HG SER A 32 10.038 8.347 9.175 1.00 0.00 H new ATOM 443 N SER A 33 8.018 5.568 11.046 1.00 0.00 N ATOM 444 CA SER A 33 7.294 5.966 12.248 1.00 0.00 C ATOM 445 C SER A 33 7.727 7.355 12.707 1.00 0.00 C ATOM 446 O SER A 33 6.918 8.135 13.212 1.00 0.00 O ATOM 447 CB SER A 33 7.527 4.951 13.369 1.00 0.00 C ATOM 448 OG SER A 33 6.985 3.686 13.031 1.00 0.00 O ATOM 0 H SER A 33 8.718 4.841 11.196 1.00 0.00 H new ATOM 0 HA SER A 33 6.231 5.995 12.009 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.596 4.853 13.559 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.071 5.311 14.291 1.00 0.00 H new ATOM 0 HG SER A 33 7.148 3.054 13.762 1.00 0.00 H new ATOM 454 N TYR A 34 9.008 7.658 12.529 1.00 0.00 N ATOM 455 CA TYR A 34 9.550 8.952 12.927 1.00 0.00 C ATOM 456 C TYR A 34 8.868 10.085 12.167 1.00 0.00 C ATOM 457 O TYR A 34 8.683 11.180 12.697 1.00 0.00 O ATOM 458 CB TYR A 34 11.059 8.993 12.681 1.00 0.00 C ATOM 459 CG TYR A 34 11.787 7.763 13.173 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.645 7.327 14.485 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.618 7.038 12.328 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.309 6.204 14.940 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.285 5.913 12.774 1.00 0.00 C ATOM 464 CZ TYR A 34 13.127 5.500 14.081 1.00 0.00 C ATOM 465 OH TYR A 34 13.790 4.381 14.530 1.00 0.00 O ATOM 0 H TYR A 34 9.691 7.025 12.112 1.00 0.00 H new ATOM 0 HA TYR A 34 9.358 9.086 13.992 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.241 9.110 11.613 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.475 9.872 13.173 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.005 7.875 15.160 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.745 7.359 11.305 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.188 5.879 15.963 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.926 5.360 12.103 1.00 0.00 H new ATOM 0 HH TYR A 34 14.323 4.002 13.800 1.00 0.00 H new ATOM 475 N GLY A 35 8.495 9.813 10.920 1.00 0.00 N ATOM 476 CA GLY A 35 7.837 10.818 10.107 1.00 0.00 C ATOM 477 C GLY A 35 8.326 10.815 8.672 1.00 0.00 C ATOM 478 O GLY A 35 9.447 10.389 8.392 1.00 0.00 O ATOM 0 H GLY A 35 8.637 8.914 10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.761 10.645 10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.007 11.802 10.543 1.00 0.00 H new ATOM 482 N VAL A 36 7.484 11.288 7.760 1.00 0.00 N ATOM 483 CA VAL A 36 7.837 11.338 6.346 1.00 0.00 C ATOM 484 C VAL A 36 7.863 12.774 5.836 1.00 0.00 C ATOM 485 O VAL A 36 7.162 13.652 6.341 1.00 0.00 O ATOM 486 CB VAL A 36 6.850 10.519 5.492 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.910 9.047 5.871 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.437 11.061 5.646 1.00 0.00 C ATOM 0 H VAL A 36 6.552 11.642 7.975 1.00 0.00 H new ATOM 0 HA VAL A 36 8.833 10.905 6.253 1.00 0.00 H new ATOM 0 HB VAL A 36 7.138 10.611 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.206 8.484 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.919 8.669 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.648 8.931 6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.753 10.471 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.136 11.000 6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.409 12.101 5.320 1.00 0.00 H new ATOM 498 N PRO A 37 8.690 13.023 4.809 1.00 0.00 N ATOM 499 CA PRO A 37 8.827 14.352 4.207 1.00 0.00 C ATOM 500 C PRO A 37 7.581 14.768 3.432 1.00 0.00 C ATOM 501 O PRO A 37 7.217 14.138 2.439 1.00 0.00 O ATOM 502 CB PRO A 37 10.018 14.191 3.259 1.00 0.00 C ATOM 503 CG PRO A 37 10.045 12.738 2.928 1.00 0.00 C ATOM 504 CD PRO A 37 9.554 12.025 4.157 1.00 0.00 C ATOM 0 HA PRO A 37 8.966 15.128 4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.896 14.799 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.947 14.506 3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.408 12.521 2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.053 12.416 2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.002 11.120 3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.379 11.724 4.803 1.00 0.00 H new ATOM 512 N ALA A 38 6.932 15.833 3.891 1.00 0.00 N ATOM 513 CA ALA A 38 5.729 16.335 3.239 1.00 0.00 C ATOM 514 C ALA A 38 6.007 16.708 1.787 1.00 0.00 C ATOM 515 O ALA A 38 7.157 16.904 1.396 1.00 0.00 O ATOM 516 CB ALA A 38 5.178 17.533 3.998 1.00 0.00 C ATOM 0 H ALA A 38 7.220 16.365 4.712 1.00 0.00 H new ATOM 0 HA ALA A 38 4.983 15.540 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.280 17.898 3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.932 17.236 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.927 18.325 4.021 1.00 0.00 H new ATOM 522 N SER A 39 4.946 16.805 0.992 1.00 0.00 N ATOM 523 CA SER A 39 5.076 17.151 -0.418 1.00 0.00 C ATOM 524 C SER A 39 6.301 16.478 -1.032 1.00 0.00 C ATOM 525 O SER A 39 7.077 17.110 -1.749 1.00 0.00 O ATOM 526 CB SER A 39 5.176 18.668 -0.586 1.00 0.00 C ATOM 527 OG SER A 39 4.634 19.081 -1.828 1.00 0.00 O ATOM 0 H SER A 39 3.987 16.649 1.301 1.00 0.00 H new ATOM 0 HA SER A 39 4.187 16.793 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.646 19.163 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.220 18.976 -0.521 1.00 0.00 H new ATOM 0 HG SER A 39 4.709 20.055 -1.910 1.00 0.00 H new ATOM 533 N LEU A 40 6.467 15.192 -0.744 1.00 0.00 N ATOM 534 CA LEU A 40 7.597 14.431 -1.267 1.00 0.00 C ATOM 535 C LEU A 40 7.170 13.020 -1.656 1.00 0.00 C ATOM 536 O LEU A 40 6.550 12.295 -0.878 1.00 0.00 O ATOM 537 CB LEU A 40 8.719 14.368 -0.228 1.00 0.00 C ATOM 538 CG LEU A 40 10.144 14.329 -0.782 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.405 13.008 -1.489 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.382 15.498 -1.725 1.00 0.00 C ATOM 0 H LEU A 40 5.834 14.654 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 40 7.964 14.939 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.629 15.234 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.566 13.483 0.390 1.00 0.00 H new ATOM 0 HG LEU A 40 10.841 14.415 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.424 12.998 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.277 12.187 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.702 12.891 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.401 15.454 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.678 15.445 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.238 16.435 -1.187 1.00 0.00 H new ATOM 552 N PRO A 41 7.510 12.617 -2.890 1.00 0.00 N ATOM 553 CA PRO A 41 7.174 11.289 -3.410 1.00 0.00 C ATOM 554 C PRO A 41 7.966 10.181 -2.724 1.00 0.00 C ATOM 555 O PRO A 41 9.116 9.918 -3.074 1.00 0.00 O ATOM 556 CB PRO A 41 7.554 11.381 -4.890 1.00 0.00 C ATOM 557 CG PRO A 41 8.602 12.438 -4.947 1.00 0.00 C ATOM 558 CD PRO A 41 8.249 13.429 -3.872 1.00 0.00 C ATOM 0 HA PRO A 41 6.127 11.037 -3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.932 10.429 -5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.693 11.644 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.592 12.015 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.622 12.915 -5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.139 13.880 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.638 14.244 -4.261 1.00 0.00 H new ATOM 566 N VAL A 42 7.342 9.532 -1.746 1.00 0.00 N ATOM 567 CA VAL A 42 7.988 8.451 -1.012 1.00 0.00 C ATOM 568 C VAL A 42 7.349 7.106 -1.340 1.00 0.00 C ATOM 569 O VAL A 42 6.156 7.029 -1.633 1.00 0.00 O ATOM 570 CB VAL A 42 7.916 8.683 0.509 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.473 8.866 0.954 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.571 7.531 1.256 1.00 0.00 C ATOM 0 H VAL A 42 6.389 9.736 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 42 9.033 8.439 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 42 8.462 9.596 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.442 9.029 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.042 9.728 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.900 7.973 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.511 7.712 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.055 6.601 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.617 7.453 0.959 1.00 0.00 H new ATOM 582 N ASP A 43 8.152 6.048 -1.288 1.00 0.00 N ATOM 583 CA ASP A 43 7.665 4.705 -1.578 1.00 0.00 C ATOM 584 C ASP A 43 8.337 3.676 -0.674 1.00 0.00 C ATOM 585 O ASP A 43 9.498 3.833 -0.293 1.00 0.00 O ATOM 586 CB ASP A 43 7.916 4.354 -3.045 1.00 0.00 C ATOM 587 CG ASP A 43 9.382 4.449 -3.420 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.156 3.554 -3.020 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.756 5.418 -4.114 1.00 0.00 O ATOM 0 H ASP A 43 9.142 6.095 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 43 6.592 4.685 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.559 3.343 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.337 5.024 -3.680 1.00 0.00 H new ATOM 594 N PHE A 44 7.601 2.624 -0.333 1.00 0.00 N ATOM 595 CA PHE A 44 8.125 1.571 0.528 1.00 0.00 C ATOM 596 C PHE A 44 8.268 0.260 -0.240 1.00 0.00 C ATOM 597 O PHE A 44 7.961 0.190 -1.430 1.00 0.00 O ATOM 598 CB PHE A 44 7.209 1.368 1.737 1.00 0.00 C ATOM 599 CG PHE A 44 5.748 1.356 1.388 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.118 0.175 1.028 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.005 2.525 1.419 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.775 0.161 0.705 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.661 2.517 1.097 1.00 0.00 C ATOM 604 CZ PHE A 44 3.045 1.333 0.741 1.00 0.00 C ATOM 0 H PHE A 44 6.639 2.478 -0.640 1.00 0.00 H new ATOM 0 HA PHE A 44 9.112 1.878 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.466 0.427 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.395 2.162 2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.684 -0.745 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.482 3.453 1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.296 -0.766 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.093 3.435 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.994 1.324 0.491 1.00 0.00 H new ATOM 614 N ALA A 45 8.736 -0.775 0.449 1.00 0.00 N ATOM 615 CA ALA A 45 8.919 -2.083 -0.168 1.00 0.00 C ATOM 616 C ALA A 45 8.206 -3.170 0.630 1.00 0.00 C ATOM 617 O ALA A 45 8.310 -3.223 1.855 1.00 0.00 O ATOM 618 CB ALA A 45 10.401 -2.405 -0.295 1.00 0.00 C ATOM 0 H ALA A 45 8.995 -0.733 1.435 1.00 0.00 H new ATOM 0 HA ALA A 45 8.479 -2.052 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.522 -3.385 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.886 -1.649 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.858 -2.412 0.695 1.00 0.00 H new ATOM 624 N ILE A 46 7.482 -4.034 -0.073 1.00 0.00 N ATOM 625 CA ILE A 46 6.753 -5.120 0.570 1.00 0.00 C ATOM 626 C ILE A 46 7.410 -6.467 0.288 1.00 0.00 C ATOM 627 O ILE A 46 7.222 -7.049 -0.781 1.00 0.00 O ATOM 628 CB ILE A 46 5.286 -5.169 0.101 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.591 -3.837 0.391 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.551 -6.315 0.779 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.404 -3.567 -0.507 1.00 0.00 C ATOM 0 H ILE A 46 7.385 -4.003 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 46 6.777 -4.924 1.642 1.00 0.00 H new ATOM 0 HB ILE A 46 5.269 -5.339 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.260 -3.828 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.313 -3.028 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.516 -6.336 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.036 -7.258 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.574 -6.173 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.961 -2.606 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.732 -3.544 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.663 -4.356 -0.378 1.00 0.00 H new ATOM 643 N ASP A 47 8.179 -6.957 1.253 1.00 0.00 N ATOM 644 CA ASP A 47 8.863 -8.238 1.111 1.00 0.00 C ATOM 645 C ASP A 47 8.043 -9.363 1.733 1.00 0.00 C ATOM 646 O ASP A 47 7.783 -9.364 2.936 1.00 0.00 O ATOM 647 CB ASP A 47 10.245 -8.177 1.762 1.00 0.00 C ATOM 648 CG ASP A 47 10.981 -6.891 1.440 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.479 -6.761 0.301 1.00 0.00 O ATOM 650 OD2 ASP A 47 11.059 -6.015 2.326 1.00 0.00 O ATOM 0 H ASP A 47 8.345 -6.487 2.143 1.00 0.00 H new ATOM 0 HA ASP A 47 8.980 -8.444 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.139 -8.270 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.840 -9.026 1.426 1.00 0.00 H new ATOM 655 N ALA A 48 7.637 -10.320 0.905 1.00 0.00 N ATOM 656 CA ALA A 48 6.847 -11.452 1.374 1.00 0.00 C ATOM 657 C ALA A 48 7.661 -12.741 1.339 1.00 0.00 C ATOM 658 O ALA A 48 8.215 -13.109 0.303 1.00 0.00 O ATOM 659 CB ALA A 48 5.586 -11.599 0.535 1.00 0.00 C ATOM 0 H ALA A 48 7.842 -10.334 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 48 6.562 -11.261 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.006 -12.448 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.988 -10.691 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.860 -11.764 -0.507 1.00 0.00 H new ATOM 665 N ARG A 49 7.730 -13.422 2.479 1.00 0.00 N ATOM 666 CA ARG A 49 8.478 -14.669 2.579 1.00 0.00 C ATOM 667 C ARG A 49 7.560 -15.872 2.379 1.00 0.00 C ATOM 668 O ARG A 49 7.800 -16.710 1.510 1.00 0.00 O ATOM 669 CB ARG A 49 9.172 -14.764 3.939 1.00 0.00 C ATOM 670 CG ARG A 49 8.213 -14.708 5.117 1.00 0.00 C ATOM 671 CD ARG A 49 8.950 -14.457 6.424 1.00 0.00 C ATOM 672 NE ARG A 49 8.058 -14.531 7.578 1.00 0.00 N ATOM 673 CZ ARG A 49 8.474 -14.792 8.812 1.00 0.00 C ATOM 674 NH1 ARG A 49 9.761 -15.002 9.051 1.00 0.00 N ATOM 675 NH2 ARG A 49 7.601 -14.842 9.811 1.00 0.00 N ATOM 0 H ARG A 49 7.277 -13.131 3.345 1.00 0.00 H new ATOM 0 HA ARG A 49 9.232 -14.675 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.737 -15.695 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.891 -13.950 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.480 -13.918 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.661 -15.646 5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.749 -15.190 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.421 -13.474 6.392 1.00 0.00 H new ATOM 0 HE ARG A 49 7.061 -14.374 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.435 -14.963 8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.077 -15.202 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.610 -14.680 9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.921 -15.043 10.758 1.00 0.00 H new ATOM 689 N ASP A 50 6.510 -15.949 3.189 1.00 0.00 N ATOM 690 CA ASP A 50 5.556 -17.048 3.101 1.00 0.00 C ATOM 691 C ASP A 50 4.146 -16.524 2.849 1.00 0.00 C ATOM 692 O ASP A 50 3.164 -17.114 3.300 1.00 0.00 O ATOM 693 CB ASP A 50 5.583 -17.879 4.385 1.00 0.00 C ATOM 694 CG ASP A 50 6.688 -18.917 4.380 1.00 0.00 C ATOM 695 OD1 ASP A 50 7.872 -18.523 4.442 1.00 0.00 O ATOM 696 OD2 ASP A 50 6.370 -20.123 4.313 1.00 0.00 O ATOM 0 H ASP A 50 6.298 -15.263 3.914 1.00 0.00 H new ATOM 0 HA ASP A 50 5.844 -17.681 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.715 -17.216 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.622 -18.377 4.512 1.00 0.00 H new ATOM 701 N ALA A 51 4.053 -15.413 2.126 1.00 0.00 N ATOM 702 CA ALA A 51 2.763 -14.810 1.814 1.00 0.00 C ATOM 703 C ALA A 51 2.266 -15.258 0.443 1.00 0.00 C ATOM 704 O ALA A 51 1.067 -15.238 0.170 1.00 0.00 O ATOM 705 CB ALA A 51 2.861 -13.293 1.872 1.00 0.00 C ATOM 0 H ALA A 51 4.856 -14.912 1.745 1.00 0.00 H new ATOM 0 HA ALA A 51 2.043 -15.145 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.890 -12.856 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.164 -12.986 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.599 -12.948 1.148 1.00 0.00 H new ATOM 711 N GLY A 52 3.197 -15.661 -0.416 1.00 0.00 N ATOM 712 CA GLY A 52 2.833 -16.107 -1.749 1.00 0.00 C ATOM 713 C GLY A 52 2.336 -14.973 -2.624 1.00 0.00 C ATOM 714 O GLY A 52 2.875 -13.868 -2.583 1.00 0.00 O ATOM 0 H GLY A 52 4.196 -15.687 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.697 -16.574 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.059 -16.871 -1.675 1.00 0.00 H new ATOM 718 N GLU A 53 1.306 -15.248 -3.418 1.00 0.00 N ATOM 719 CA GLU A 53 0.739 -14.243 -4.309 1.00 0.00 C ATOM 720 C GLU A 53 -0.746 -14.038 -4.022 1.00 0.00 C ATOM 721 O GLU A 53 -1.505 -14.998 -3.901 1.00 0.00 O ATOM 722 CB GLU A 53 0.936 -14.654 -5.769 1.00 0.00 C ATOM 723 CG GLU A 53 2.330 -14.365 -6.300 1.00 0.00 C ATOM 724 CD GLU A 53 2.602 -15.048 -7.627 1.00 0.00 C ATOM 725 OE1 GLU A 53 2.761 -16.286 -7.635 1.00 0.00 O ATOM 726 OE2 GLU A 53 2.655 -14.343 -8.656 1.00 0.00 O ATOM 0 H GLU A 53 0.847 -16.158 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 53 1.259 -13.302 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.732 -15.720 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.206 -14.131 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.454 -13.288 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.069 -14.693 -5.569 1.00 0.00 H new ATOM 733 N GLY A 54 -1.153 -12.776 -3.914 1.00 0.00 N ATOM 734 CA GLY A 54 -2.545 -12.467 -3.641 1.00 0.00 C ATOM 735 C GLY A 54 -2.930 -11.075 -4.103 1.00 0.00 C ATOM 736 O GLY A 54 -2.079 -10.301 -4.542 1.00 0.00 O ATOM 0 H GLY A 54 -0.544 -11.963 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.181 -13.200 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.731 -12.556 -2.571 1.00 0.00 H new ATOM 740 N LEU A 55 -4.216 -10.757 -4.005 1.00 0.00 N ATOM 741 CA LEU A 55 -4.713 -9.449 -4.417 1.00 0.00 C ATOM 742 C LEU A 55 -4.177 -8.350 -3.505 1.00 0.00 C ATOM 743 O LEU A 55 -4.697 -8.128 -2.411 1.00 0.00 O ATOM 744 CB LEU A 55 -6.243 -9.436 -4.405 1.00 0.00 C ATOM 745 CG LEU A 55 -6.928 -9.863 -5.704 1.00 0.00 C ATOM 746 CD1 LEU A 55 -8.282 -10.490 -5.411 1.00 0.00 C ATOM 747 CD2 LEU A 55 -7.080 -8.675 -6.642 1.00 0.00 C ATOM 0 H LEU A 55 -4.933 -11.386 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.362 -9.257 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.586 -10.092 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.576 -8.428 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.303 -10.609 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.755 -10.788 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.148 -11.367 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.915 -9.766 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.569 -8.997 -7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.684 -7.906 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.096 -8.269 -6.878 1.00 0.00 H new ATOM 759 N LEU A 56 -3.136 -7.663 -3.964 1.00 0.00 N ATOM 760 CA LEU A 56 -2.530 -6.585 -3.190 1.00 0.00 C ATOM 761 C LEU A 56 -3.256 -5.265 -3.435 1.00 0.00 C ATOM 762 O LEU A 56 -3.498 -4.882 -4.579 1.00 0.00 O ATOM 763 CB LEU A 56 -1.051 -6.441 -3.551 1.00 0.00 C ATOM 764 CG LEU A 56 -0.311 -5.274 -2.896 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.152 -5.653 -1.498 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.871 -4.844 -3.754 1.00 0.00 C ATOM 0 H LEU A 56 -2.694 -7.833 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.617 -6.836 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.540 -7.366 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.970 -6.335 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.999 -4.433 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.677 -4.810 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.712 -5.912 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.824 -6.509 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.386 -4.013 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.560 -5.680 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.514 -4.531 -4.735 1.00 0.00 H new ATOM 778 N ALA A 57 -3.598 -4.575 -2.352 1.00 0.00 N ATOM 779 CA ALA A 57 -4.291 -3.296 -2.449 1.00 0.00 C ATOM 780 C ALA A 57 -3.645 -2.251 -1.546 1.00 0.00 C ATOM 781 O ALA A 57 -3.020 -2.587 -0.540 1.00 0.00 O ATOM 782 CB ALA A 57 -5.762 -3.465 -2.096 1.00 0.00 C ATOM 0 H ALA A 57 -3.407 -4.880 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.213 -2.946 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.267 -2.502 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.223 -4.173 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.851 -3.841 -1.077 1.00 0.00 H new ATOM 788 N VAL A 58 -3.799 -0.983 -1.913 1.00 0.00 N ATOM 789 CA VAL A 58 -3.230 0.112 -1.135 1.00 0.00 C ATOM 790 C VAL A 58 -4.268 1.198 -0.875 1.00 0.00 C ATOM 791 O VAL A 58 -4.602 1.976 -1.768 1.00 0.00 O ATOM 792 CB VAL A 58 -2.017 0.736 -1.850 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.467 1.904 -1.045 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.941 -0.312 -2.086 1.00 0.00 C ATOM 0 H VAL A 58 -4.313 -0.688 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.904 -0.310 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.343 1.114 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.610 2.333 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.240 2.664 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.156 1.553 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.091 0.146 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.616 -0.721 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.343 -1.113 -2.706 1.00 0.00 H new ATOM 804 N GLN A 59 -4.772 1.245 0.353 1.00 0.00 N ATOM 805 CA GLN A 59 -5.773 2.237 0.731 1.00 0.00 C ATOM 806 C GLN A 59 -5.160 3.319 1.613 1.00 0.00 C ATOM 807 O GLN A 59 -4.855 3.082 2.782 1.00 0.00 O ATOM 808 CB GLN A 59 -6.937 1.565 1.461 1.00 0.00 C ATOM 809 CG GLN A 59 -7.839 0.751 0.549 1.00 0.00 C ATOM 810 CD GLN A 59 -8.687 -0.250 1.308 1.00 0.00 C ATOM 811 OE1 GLN A 59 -8.166 -1.159 1.956 1.00 0.00 O ATOM 812 NE2 GLN A 59 -10.003 -0.088 1.234 1.00 0.00 N ATOM 0 H GLN A 59 -4.504 0.608 1.104 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.147 2.705 -0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.539 0.914 2.240 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.533 2.330 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.490 1.425 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.228 0.223 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.392 0.679 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.624 -0.730 1.726 1.00 0.00 H new ATOM 821 N ILE A 60 -4.982 4.508 1.045 1.00 0.00 N ATOM 822 CA ILE A 60 -4.407 5.627 1.780 1.00 0.00 C ATOM 823 C ILE A 60 -5.447 6.713 2.031 1.00 0.00 C ATOM 824 O ILE A 60 -6.157 7.132 1.117 1.00 0.00 O ATOM 825 CB ILE A 60 -3.212 6.240 1.027 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.107 5.198 0.843 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.682 7.455 1.774 1.00 0.00 C ATOM 828 CD1 ILE A 60 -0.973 5.668 -0.040 1.00 0.00 C ATOM 0 H ILE A 60 -5.228 4.720 0.078 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.060 5.232 2.735 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.549 6.562 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.707 4.928 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.539 4.294 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.838 7.877 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.470 8.203 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.358 7.156 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.227 4.878 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.359 5.911 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.514 6.555 0.398 1.00 0.00 H new ATOM 840 N THR A 61 -5.531 7.168 3.278 1.00 0.00 N ATOM 841 CA THR A 61 -6.484 8.206 3.650 1.00 0.00 C ATOM 842 C THR A 61 -5.839 9.241 4.564 1.00 0.00 C ATOM 843 O THR A 61 -4.731 9.041 5.060 1.00 0.00 O ATOM 844 CB THR A 61 -7.716 7.610 4.356 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.306 6.622 5.308 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.669 6.986 3.348 1.00 0.00 C ATOM 0 H THR A 61 -4.950 6.834 4.047 1.00 0.00 H new ATOM 0 HA THR A 61 -6.803 8.689 2.726 1.00 0.00 H new ATOM 0 HB THR A 61 -8.236 8.417 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.095 6.249 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.531 6.572 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.003 7.748 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.156 6.191 2.807 1.00 0.00 H new ATOM 854 N ASP A 62 -6.540 10.348 4.783 1.00 0.00 N ATOM 855 CA ASP A 62 -6.037 11.415 5.640 1.00 0.00 C ATOM 856 C ASP A 62 -6.881 11.542 6.904 1.00 0.00 C ATOM 857 O ASP A 62 -7.828 10.782 7.107 1.00 0.00 O ATOM 858 CB ASP A 62 -6.027 12.744 4.884 1.00 0.00 C ATOM 859 CG ASP A 62 -7.141 12.836 3.859 1.00 0.00 C ATOM 860 OD1 ASP A 62 -6.940 12.365 2.720 1.00 0.00 O ATOM 861 OD2 ASP A 62 -8.214 13.378 4.197 1.00 0.00 O ATOM 0 H ASP A 62 -7.459 10.530 4.379 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.017 11.163 5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.123 13.564 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.066 12.867 4.384 1.00 0.00 H new ATOM 866 N GLN A 63 -6.531 12.505 7.750 1.00 0.00 N ATOM 867 CA GLN A 63 -7.257 12.729 8.995 1.00 0.00 C ATOM 868 C GLN A 63 -8.756 12.841 8.739 1.00 0.00 C ATOM 869 O GLN A 63 -9.567 12.352 9.524 1.00 0.00 O ATOM 870 CB GLN A 63 -6.749 13.997 9.684 1.00 0.00 C ATOM 871 CG GLN A 63 -6.967 15.262 8.870 1.00 0.00 C ATOM 872 CD GLN A 63 -5.979 16.358 9.219 1.00 0.00 C ATOM 873 OE1 GLN A 63 -5.583 16.507 10.375 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.576 17.132 8.218 1.00 0.00 N ATOM 0 H GLN A 63 -5.750 13.142 7.597 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.082 11.874 9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.250 14.103 10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.684 13.887 9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.882 15.026 7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.981 15.626 9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.931 16.972 7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.912 17.886 8.392 1.00 0.00 H new ATOM 883 N GLU A 64 -9.116 13.488 7.634 1.00 0.00 N ATOM 884 CA GLU A 64 -10.519 13.664 7.276 1.00 0.00 C ATOM 885 C GLU A 64 -11.066 12.416 6.590 1.00 0.00 C ATOM 886 O GLU A 64 -12.267 12.150 6.627 1.00 0.00 O ATOM 887 CB GLU A 64 -10.685 14.878 6.360 1.00 0.00 C ATOM 888 CG GLU A 64 -12.084 15.018 5.783 1.00 0.00 C ATOM 889 CD GLU A 64 -13.061 15.636 6.765 1.00 0.00 C ATOM 890 OE1 GLU A 64 -13.685 14.879 7.538 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.201 16.877 6.761 1.00 0.00 O ATOM 0 H GLU A 64 -8.457 13.898 6.973 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.084 13.830 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.440 15.781 6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.969 14.806 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.042 15.632 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.449 14.036 5.482 1.00 0.00 H new ATOM 898 N GLY A 65 -10.176 11.653 5.963 1.00 0.00 N ATOM 899 CA GLY A 65 -10.588 10.443 5.276 1.00 0.00 C ATOM 900 C GLY A 65 -10.799 10.662 3.792 1.00 0.00 C ATOM 901 O GLY A 65 -11.681 10.054 3.186 1.00 0.00 O ATOM 0 H GLY A 65 -9.176 11.851 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.833 9.671 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.512 10.073 5.720 1.00 0.00 H new ATOM 905 N LYS A 66 -9.988 11.535 3.203 1.00 0.00 N ATOM 906 CA LYS A 66 -10.090 11.834 1.779 1.00 0.00 C ATOM 907 C LYS A 66 -9.199 10.903 0.963 1.00 0.00 C ATOM 908 O LYS A 66 -8.188 10.392 1.444 1.00 0.00 O ATOM 909 CB LYS A 66 -9.702 13.291 1.515 1.00 0.00 C ATOM 910 CG LYS A 66 -10.577 14.296 2.243 1.00 0.00 C ATOM 911 CD LYS A 66 -9.843 15.605 2.482 1.00 0.00 C ATOM 912 CE LYS A 66 -9.936 16.524 1.273 1.00 0.00 C ATOM 913 NZ LYS A 66 -11.183 17.337 1.288 1.00 0.00 N ATOM 0 H LYS A 66 -9.253 12.048 3.690 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.124 11.678 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.665 13.442 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.756 13.484 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.478 14.485 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.896 13.878 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.264 16.105 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.796 15.401 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.071 17.187 1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.902 15.928 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.208 17.950 0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.009 16.705 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.204 17.925 2.146 1.00 0.00 H new ATOM 927 N PRO A 67 -9.581 10.678 -0.303 1.00 0.00 N ATOM 928 CA PRO A 67 -8.829 9.809 -1.214 1.00 0.00 C ATOM 929 C PRO A 67 -7.491 10.416 -1.622 1.00 0.00 C ATOM 930 O PRO A 67 -7.437 11.528 -2.148 1.00 0.00 O ATOM 931 CB PRO A 67 -9.753 9.685 -2.428 1.00 0.00 C ATOM 932 CG PRO A 67 -10.588 10.918 -2.397 1.00 0.00 C ATOM 933 CD PRO A 67 -10.775 11.254 -0.944 1.00 0.00 C ATOM 0 HA PRO A 67 -8.578 8.854 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.182 9.617 -3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.369 8.788 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.098 11.735 -2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.548 10.752 -2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.836 12.331 -0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.693 10.821 -0.546 1.00 0.00 H new ATOM 941 N LYS A 68 -6.413 9.679 -1.376 1.00 0.00 N ATOM 942 CA LYS A 68 -5.074 10.143 -1.720 1.00 0.00 C ATOM 943 C LYS A 68 -4.540 9.406 -2.943 1.00 0.00 C ATOM 944 O LYS A 68 -5.007 8.317 -3.277 1.00 0.00 O ATOM 945 CB LYS A 68 -4.125 9.945 -0.536 1.00 0.00 C ATOM 946 CG LYS A 68 -4.129 11.103 0.448 1.00 0.00 C ATOM 947 CD LYS A 68 -3.069 12.134 0.100 1.00 0.00 C ATOM 948 CE LYS A 68 -3.617 13.205 -0.830 1.00 0.00 C ATOM 949 NZ LYS A 68 -2.616 14.277 -1.093 1.00 0.00 N ATOM 0 H LYS A 68 -6.441 8.758 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.134 11.205 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.400 9.031 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.112 9.803 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.111 11.576 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.954 10.726 1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.698 12.599 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.220 11.640 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.916 12.748 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.512 13.644 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.034 14.996 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.336 14.719 -0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.778 13.865 -1.552 1.00 0.00 H new ATOM 963 N ARG A 69 -3.557 10.005 -3.607 1.00 0.00 N ATOM 964 CA ARG A 69 -2.958 9.404 -4.793 1.00 0.00 C ATOM 965 C ARG A 69 -1.961 8.316 -4.407 1.00 0.00 C ATOM 966 O ARG A 69 -1.035 8.555 -3.633 1.00 0.00 O ATOM 967 CB ARG A 69 -2.261 10.474 -5.636 1.00 0.00 C ATOM 968 CG ARG A 69 -1.494 9.911 -6.821 1.00 0.00 C ATOM 969 CD ARG A 69 -0.577 10.955 -7.438 1.00 0.00 C ATOM 970 NE ARG A 69 -1.309 11.893 -8.286 1.00 0.00 N ATOM 971 CZ ARG A 69 -1.902 11.547 -9.423 1.00 0.00 C ATOM 972 NH1 ARG A 69 -1.850 10.292 -9.847 1.00 0.00 N ATOM 973 NH2 ARG A 69 -2.548 12.458 -10.139 1.00 0.00 N ATOM 0 H ARG A 69 -3.158 10.906 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.755 8.950 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.007 11.181 -5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.574 11.034 -5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.905 9.052 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.197 9.552 -7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.068 11.504 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.193 10.458 -8.028 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.368 12.867 -7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.354 9.589 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.306 10.029 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.589 13.425 -9.816 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.003 12.192 -11.012 1.00 0.00 H new ATOM 987 N ALA A 70 -2.159 7.119 -4.952 1.00 0.00 N ATOM 988 CA ALA A 70 -1.277 5.995 -4.666 1.00 0.00 C ATOM 989 C ALA A 70 -0.884 5.266 -5.946 1.00 0.00 C ATOM 990 O ALA A 70 -1.744 4.829 -6.712 1.00 0.00 O ATOM 991 CB ALA A 70 -1.945 5.034 -3.693 1.00 0.00 C ATOM 0 H ALA A 70 -2.922 6.904 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.368 6.386 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.275 4.199 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.169 5.556 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.870 4.658 -4.130 1.00 0.00 H new ATOM 997 N ILE A 71 0.419 5.139 -6.173 1.00 0.00 N ATOM 998 CA ILE A 71 0.924 4.462 -7.361 1.00 0.00 C ATOM 999 C ILE A 71 1.353 3.034 -7.040 1.00 0.00 C ATOM 1000 O ILE A 71 1.820 2.748 -5.938 1.00 0.00 O ATOM 1001 CB ILE A 71 2.117 5.219 -7.975 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.722 6.660 -8.302 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.613 4.503 -9.222 1.00 0.00 C ATOM 1004 CD1 ILE A 71 2.902 7.596 -8.432 1.00 0.00 C ATOM 0 H ILE A 71 1.144 5.496 -5.550 1.00 0.00 H new ATOM 0 HA ILE A 71 0.108 4.439 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 71 2.928 5.242 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.156 6.670 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.058 7.032 -7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.456 5.050 -9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.930 3.493 -8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.809 4.452 -9.956 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.546 8.600 -8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.456 7.616 -7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.556 7.248 -9.232 1.00 0.00 H new ATOM 1016 N VAL A 72 1.192 2.142 -8.012 1.00 0.00 N ATOM 1017 CA VAL A 72 1.565 0.743 -7.834 1.00 0.00 C ATOM 1018 C VAL A 72 2.700 0.353 -8.775 1.00 0.00 C ATOM 1019 O VAL A 72 2.605 0.537 -9.989 1.00 0.00 O ATOM 1020 CB VAL A 72 0.367 -0.193 -8.078 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.233 0.054 -9.454 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.786 -1.647 -7.923 1.00 0.00 C ATOM 0 H VAL A 72 0.806 2.362 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 72 1.898 0.633 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.397 0.022 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.078 -0.617 -9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.573 1.087 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.521 -0.132 -10.219 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.073 -2.294 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.569 -1.879 -8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.163 -1.811 -6.914 1.00 0.00 H new ATOM 1032 N HIS A 73 3.773 -0.186 -8.208 1.00 0.00 N ATOM 1033 CA HIS A 73 4.927 -0.604 -8.996 1.00 0.00 C ATOM 1034 C HIS A 73 5.080 -2.122 -8.974 1.00 0.00 C ATOM 1035 O HIS A 73 4.988 -2.749 -7.919 1.00 0.00 O ATOM 1036 CB HIS A 73 6.200 0.056 -8.466 1.00 0.00 C ATOM 1037 CG HIS A 73 6.359 1.482 -8.896 1.00 0.00 C ATOM 1038 ND1 HIS A 73 6.552 1.855 -10.209 1.00 0.00 N ATOM 1039 CD2 HIS A 73 6.351 2.629 -8.178 1.00 0.00 C ATOM 1040 CE1 HIS A 73 6.658 3.170 -10.280 1.00 0.00 C ATOM 1041 NE2 HIS A 73 6.538 3.664 -9.061 1.00 0.00 N ATOM 0 H HIS A 73 3.868 -0.344 -7.205 1.00 0.00 H new ATOM 0 HA HIS A 73 4.765 -0.288 -10.026 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.196 0.012 -7.377 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.064 -0.516 -8.805 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.222 2.715 -7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.816 3.743 -11.181 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.578 4.653 -8.815 1.00 0.00 H new ATOM 1049 N ASP A 74 5.313 -2.705 -10.144 1.00 0.00 N ATOM 1050 CA ASP A 74 5.479 -4.150 -10.259 1.00 0.00 C ATOM 1051 C ASP A 74 6.938 -4.510 -10.517 1.00 0.00 C ATOM 1052 O ASP A 74 7.513 -4.123 -11.533 1.00 0.00 O ATOM 1053 CB ASP A 74 4.598 -4.698 -11.383 1.00 0.00 C ATOM 1054 CG ASP A 74 3.123 -4.661 -11.034 1.00 0.00 C ATOM 1055 OD1 ASP A 74 2.617 -3.566 -10.714 1.00 0.00 O ATOM 1056 OD2 ASP A 74 2.476 -5.728 -11.080 1.00 0.00 O ATOM 0 H ASP A 74 5.391 -2.200 -11.027 1.00 0.00 H new ATOM 0 HA ASP A 74 5.174 -4.603 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.768 -4.118 -12.290 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.891 -5.725 -11.602 1.00 0.00 H new ATOM 1061 N ASN A 75 7.532 -5.254 -9.589 1.00 0.00 N ATOM 1062 CA ASN A 75 8.925 -5.666 -9.716 1.00 0.00 C ATOM 1063 C ASN A 75 9.024 -7.114 -10.185 1.00 0.00 C ATOM 1064 O ASN A 75 9.972 -7.492 -10.874 1.00 0.00 O ATOM 1065 CB ASN A 75 9.651 -5.501 -8.378 1.00 0.00 C ATOM 1066 CG ASN A 75 9.426 -4.133 -7.764 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.693 -3.107 -8.390 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.932 -4.112 -6.531 1.00 0.00 N ATOM 0 H ASN A 75 7.070 -5.584 -8.741 1.00 0.00 H new ATOM 0 HA ASN A 75 9.400 -5.028 -10.462 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.308 -6.269 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.719 -5.659 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.759 -3.221 -6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.725 -4.987 -6.049 1.00 0.00 H new ATOM 1075 N LYS A 76 8.038 -7.921 -9.809 1.00 0.00 N ATOM 1076 CA LYS A 76 8.011 -9.327 -10.192 1.00 0.00 C ATOM 1077 C LYS A 76 9.238 -10.060 -9.659 1.00 0.00 C ATOM 1078 O LYS A 76 9.709 -11.024 -10.263 1.00 0.00 O ATOM 1079 CB LYS A 76 7.947 -9.461 -11.716 1.00 0.00 C ATOM 1080 CG LYS A 76 6.773 -8.729 -12.341 1.00 0.00 C ATOM 1081 CD LYS A 76 7.095 -7.264 -12.586 1.00 0.00 C ATOM 1082 CE LYS A 76 6.292 -6.704 -13.750 1.00 0.00 C ATOM 1083 NZ LYS A 76 6.932 -7.003 -15.061 1.00 0.00 N ATOM 0 H LYS A 76 7.246 -7.625 -9.239 1.00 0.00 H new ATOM 0 HA LYS A 76 7.121 -9.779 -9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.873 -9.079 -12.145 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.887 -10.517 -11.977 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.506 -9.206 -13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.905 -8.807 -11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.882 -6.688 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.160 -7.154 -12.791 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.286 -7.124 -13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.189 -5.625 -13.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.354 -6.605 -15.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.882 -6.581 -15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.008 -8.033 -15.184 1.00 0.00 H new ATOM 1097 N ASP A 77 9.749 -9.599 -8.522 1.00 0.00 N ATOM 1098 CA ASP A 77 10.919 -10.213 -7.906 1.00 0.00 C ATOM 1099 C ASP A 77 10.628 -10.608 -6.462 1.00 0.00 C ATOM 1100 O ASP A 77 11.522 -10.617 -5.617 1.00 0.00 O ATOM 1101 CB ASP A 77 12.110 -9.254 -7.954 1.00 0.00 C ATOM 1102 CG ASP A 77 13.439 -9.974 -7.838 1.00 0.00 C ATOM 1103 OD1 ASP A 77 13.482 -11.188 -8.127 1.00 0.00 O ATOM 1104 OD2 ASP A 77 14.435 -9.324 -7.457 1.00 0.00 O ATOM 0 H ASP A 77 9.371 -8.803 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 77 11.164 -11.114 -8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.084 -8.694 -8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.021 -8.529 -7.145 1.00 0.00 H new ATOM 1109 N GLY A 78 9.369 -10.935 -6.185 1.00 0.00 N ATOM 1110 CA GLY A 78 8.982 -11.326 -4.842 1.00 0.00 C ATOM 1111 C GLY A 78 8.801 -10.136 -3.921 1.00 0.00 C ATOM 1112 O GLY A 78 8.944 -10.254 -2.704 1.00 0.00 O ATOM 0 H GLY A 78 8.610 -10.936 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.052 -11.892 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.740 -11.990 -4.428 1.00 0.00 H new ATOM 1116 N THR A 79 8.485 -8.982 -4.503 1.00 0.00 N ATOM 1117 CA THR A 79 8.287 -7.764 -3.727 1.00 0.00 C ATOM 1118 C THR A 79 7.322 -6.816 -4.428 1.00 0.00 C ATOM 1119 O THR A 79 6.895 -7.071 -5.555 1.00 0.00 O ATOM 1120 CB THR A 79 9.620 -7.032 -3.481 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.339 -6.896 -4.712 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.472 -7.785 -2.470 1.00 0.00 C ATOM 0 H THR A 79 8.361 -8.866 -5.509 1.00 0.00 H new ATOM 0 HA THR A 79 7.864 -8.065 -2.769 1.00 0.00 H new ATOM 0 HB THR A 79 9.398 -6.043 -3.080 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.184 -6.428 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.408 -7.249 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.934 -7.861 -1.525 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.685 -8.785 -2.847 1.00 0.00 H new ATOM 1130 N TYR A 80 6.980 -5.723 -3.756 1.00 0.00 N ATOM 1131 CA TYR A 80 6.063 -4.737 -4.315 1.00 0.00 C ATOM 1132 C TYR A 80 6.343 -3.349 -3.748 1.00 0.00 C ATOM 1133 O TYR A 80 6.522 -3.183 -2.542 1.00 0.00 O ATOM 1134 CB TYR A 80 4.615 -5.136 -4.026 1.00 0.00 C ATOM 1135 CG TYR A 80 4.221 -6.465 -4.630 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.874 -6.565 -5.972 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.194 -7.620 -3.859 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.513 -7.777 -6.528 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.835 -8.836 -4.406 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.495 -8.910 -5.741 1.00 0.00 C ATOM 1141 OH TYR A 80 3.136 -10.119 -6.290 1.00 0.00 O ATOM 0 H TYR A 80 7.324 -5.497 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 80 6.216 -4.706 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.467 -5.179 -2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.950 -4.361 -4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.887 -5.680 -6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.458 -7.566 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.246 -7.837 -7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.820 -9.724 -3.792 1.00 0.00 H new ATOM 0 HH TYR A 80 3.176 -10.816 -5.602 1.00 0.00 H new ATOM 1151 N ALA A 81 6.379 -2.353 -4.628 1.00 0.00 N ATOM 1152 CA ALA A 81 6.635 -0.979 -4.216 1.00 0.00 C ATOM 1153 C ALA A 81 5.395 -0.111 -4.402 1.00 0.00 C ATOM 1154 O ALA A 81 4.619 -0.311 -5.336 1.00 0.00 O ATOM 1155 CB ALA A 81 7.807 -0.403 -4.997 1.00 0.00 C ATOM 0 H ALA A 81 6.234 -2.473 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 81 6.887 -0.984 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.987 0.624 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.698 -1.002 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.577 -0.418 -6.062 1.00 0.00 H new ATOM 1161 N VAL A 82 5.214 0.855 -3.506 1.00 0.00 N ATOM 1162 CA VAL A 82 4.068 1.754 -3.572 1.00 0.00 C ATOM 1163 C VAL A 82 4.474 3.186 -3.242 1.00 0.00 C ATOM 1164 O VAL A 82 4.922 3.477 -2.132 1.00 0.00 O ATOM 1165 CB VAL A 82 2.952 1.313 -2.606 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.757 2.248 -2.709 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.541 -0.125 -2.889 1.00 0.00 C ATOM 0 H VAL A 82 5.846 1.035 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 82 3.691 1.712 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 82 3.335 1.364 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.979 1.921 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.065 3.262 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.369 2.232 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.752 -0.421 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.175 -0.204 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.401 -0.782 -2.760 1.00 0.00 H new ATOM 1177 N THR A 83 4.313 4.080 -4.213 1.00 0.00 N ATOM 1178 CA THR A 83 4.663 5.482 -4.027 1.00 0.00 C ATOM 1179 C THR A 83 3.430 6.317 -3.699 1.00 0.00 C ATOM 1180 O THR A 83 2.341 6.063 -4.213 1.00 0.00 O ATOM 1181 CB THR A 83 5.343 6.062 -5.281 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.407 5.202 -5.704 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.889 7.455 -5.005 1.00 0.00 C ATOM 0 H THR A 83 3.942 3.857 -5.137 1.00 0.00 H new ATOM 0 HA THR A 83 5.361 5.526 -3.191 1.00 0.00 H new ATOM 0 HB THR A 83 4.597 6.132 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.833 5.577 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.365 7.844 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.072 8.115 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.622 7.406 -4.200 1.00 0.00 H new ATOM 1191 N TYR A 84 3.609 7.315 -2.840 1.00 0.00 N ATOM 1192 CA TYR A 84 2.511 8.187 -2.442 1.00 0.00 C ATOM 1193 C TYR A 84 3.020 9.584 -2.100 1.00 0.00 C ATOM 1194 O TYR A 84 3.997 9.737 -1.366 1.00 0.00 O ATOM 1195 CB TYR A 84 1.770 7.594 -1.242 1.00 0.00 C ATOM 1196 CG TYR A 84 2.448 7.865 0.082 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.261 9.071 0.746 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.276 6.915 0.668 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.879 9.323 1.956 1.00 0.00 C ATOM 1200 CE2 TYR A 84 3.896 7.158 1.878 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.695 8.363 2.518 1.00 0.00 C ATOM 1202 OH TYR A 84 4.313 8.610 3.723 1.00 0.00 O ATOM 0 H TYR A 84 4.504 7.540 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 84 1.822 8.267 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.759 8.000 -1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.677 6.517 -1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.622 9.824 0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.437 5.971 0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.724 10.266 2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.535 6.408 2.321 1.00 0.00 H new ATOM 0 HH TYR A 84 4.523 7.760 4.163 1.00 0.00 H new ATOM 1212 N ILE A 85 2.351 10.598 -2.637 1.00 0.00 N ATOM 1213 CA ILE A 85 2.734 11.982 -2.388 1.00 0.00 C ATOM 1214 C ILE A 85 1.754 12.662 -1.437 1.00 0.00 C ATOM 1215 O ILE A 85 0.686 13.128 -1.836 1.00 0.00 O ATOM 1216 CB ILE A 85 2.807 12.791 -3.696 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.872 12.204 -4.625 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.102 14.253 -3.400 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.707 12.618 -6.071 1.00 0.00 C ATOM 0 H ILE A 85 1.541 10.487 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 85 3.723 11.957 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 85 1.841 12.731 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.857 12.514 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.839 11.116 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.150 14.811 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.311 14.664 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.056 14.333 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.496 12.165 -6.671 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.736 12.284 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.770 13.703 -6.148 1.00 0.00 H new ATOM 1231 N PRO A 86 2.123 12.722 -0.149 1.00 0.00 N ATOM 1232 CA PRO A 86 1.291 13.344 0.884 1.00 0.00 C ATOM 1233 C PRO A 86 1.217 14.860 0.734 1.00 0.00 C ATOM 1234 O PRO A 86 2.118 15.581 1.162 1.00 0.00 O ATOM 1235 CB PRO A 86 2.005 12.971 2.186 1.00 0.00 C ATOM 1236 CG PRO A 86 3.424 12.750 1.790 1.00 0.00 C ATOM 1237 CD PRO A 86 3.382 12.187 0.397 1.00 0.00 C ATOM 0 HA PRO A 86 0.257 13.002 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.920 13.767 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.574 12.074 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.987 13.683 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.917 12.060 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.243 12.505 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.386 11.097 0.404 1.00 0.00 H new ATOM 1245 N ASP A 87 0.137 15.336 0.123 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.055 16.767 -0.083 1.00 0.00 C ATOM 1247 C ASP A 87 -0.152 17.500 1.251 1.00 0.00 C ATOM 1248 O ASP A 87 0.719 18.298 1.599 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.317 17.020 -0.911 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.525 18.490 -1.215 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -1.436 19.309 -0.276 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.776 18.822 -2.392 1.00 0.00 O ATOM 0 H ASP A 87 -0.618 14.752 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 87 0.809 17.150 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.252 16.464 -1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.184 16.637 -0.373 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.219 17.226 1.995 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.431 17.858 3.292 1.00 0.00 C ATOM 1259 C LYS A 88 -0.652 17.133 4.385 1.00 0.00 C ATOM 1260 O LYS A 88 -0.190 16.008 4.191 1.00 0.00 O ATOM 1261 CB LYS A 88 -2.922 17.872 3.637 1.00 0.00 C ATOM 1262 CG LYS A 88 -3.675 19.043 3.029 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.149 19.008 3.398 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.813 20.358 3.168 1.00 0.00 C ATOM 1265 NZ LYS A 88 -7.266 20.323 3.491 1.00 0.00 N ATOM 0 H LYS A 88 -1.951 16.570 1.721 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.068 18.884 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.375 16.942 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.036 17.901 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.235 19.979 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.570 19.021 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.656 18.246 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.257 18.722 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.323 21.113 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.679 20.656 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.682 21.261 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.739 19.620 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.393 20.063 4.490 1.00 0.00 H new ATOM 1279 N THR A 89 -0.511 17.783 5.535 1.00 0.00 N ATOM 1280 CA THR A 89 0.212 17.200 6.659 1.00 0.00 C ATOM 1281 C THR A 89 -0.739 16.838 7.795 1.00 0.00 C ATOM 1282 O THR A 89 -1.679 17.574 8.089 1.00 0.00 O ATOM 1283 CB THR A 89 1.289 18.162 7.194 1.00 0.00 C ATOM 1284 OG1 THR A 89 0.676 19.353 7.700 1.00 0.00 O ATOM 1285 CG2 THR A 89 2.283 18.523 6.100 1.00 0.00 C ATOM 0 H THR A 89 -0.888 18.714 5.713 1.00 0.00 H new ATOM 0 HA THR A 89 0.695 16.295 6.290 1.00 0.00 H new ATOM 0 HB THR A 89 1.825 17.660 8.000 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.368 19.958 8.040 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.034 19.203 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.770 17.618 5.738 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.758 19.007 5.277 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.486 15.698 8.431 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.327 15.259 9.528 1.00 0.00 C ATOM 1295 C GLY A 90 -1.247 13.762 9.757 1.00 0.00 C ATOM 1296 O GLY A 90 -0.184 13.161 9.607 1.00 0.00 O ATOM 0 H GLY A 90 0.286 15.071 8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.031 15.779 10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.361 15.537 9.323 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.375 13.160 10.122 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.427 11.725 10.375 1.00 0.00 C ATOM 1302 C ARG A 91 -2.780 10.961 9.102 1.00 0.00 C ATOM 1303 O ARG A 91 -3.796 11.236 8.463 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.450 11.415 11.468 1.00 0.00 C ATOM 1305 CG ARG A 91 -2.915 11.613 12.877 1.00 0.00 C ATOM 1306 CD ARG A 91 -4.040 11.859 13.871 1.00 0.00 C ATOM 1307 NE ARG A 91 -3.610 11.641 15.249 1.00 0.00 N ATOM 1308 CZ ARG A 91 -3.456 10.437 15.789 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -3.695 9.349 15.070 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -3.061 10.320 17.051 1.00 0.00 N ATOM 0 H ARG A 91 -3.264 13.644 10.249 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.440 11.405 10.709 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.324 12.052 11.327 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.786 10.384 11.358 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.347 10.733 13.179 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.225 12.457 12.890 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.403 12.881 13.762 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.876 11.198 13.643 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.417 12.458 15.829 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.998 9.435 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.576 8.426 15.487 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.876 11.155 17.607 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.943 9.395 17.465 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.934 10.003 8.739 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.155 9.202 7.541 1.00 0.00 C ATOM 1326 C TYR A 92 -2.430 7.746 7.903 1.00 0.00 C ATOM 1327 O TYR A 92 -1.605 7.085 8.533 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.942 9.288 6.614 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.970 10.485 5.689 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.924 10.587 4.684 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.044 11.512 5.821 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.953 11.678 3.836 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.067 12.607 4.979 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.023 12.685 3.988 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.048 13.774 3.147 1.00 0.00 O ATOM 0 H TYR A 92 -1.089 9.762 9.257 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.028 9.600 7.024 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.036 9.327 7.218 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.887 8.378 6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.655 9.801 4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.707 11.453 6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.700 11.742 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.660 13.397 5.096 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.499 14.492 3.525 1.00 0.00 H new ATOM 1345 N MET A 93 -3.596 7.252 7.498 1.00 0.00 N ATOM 1346 CA MET A 93 -3.980 5.873 7.778 1.00 0.00 C ATOM 1347 C MET A 93 -3.937 5.029 6.508 1.00 0.00 C ATOM 1348 O MET A 93 -4.554 5.377 5.500 1.00 0.00 O ATOM 1349 CB MET A 93 -5.381 5.826 8.389 1.00 0.00 C ATOM 1350 CG MET A 93 -5.651 4.564 9.192 1.00 0.00 C ATOM 1351 SD MET A 93 -4.555 4.398 10.614 1.00 0.00 S ATOM 1352 CE MET A 93 -5.629 4.952 11.936 1.00 0.00 C ATOM 0 H MET A 93 -4.291 7.786 6.975 1.00 0.00 H new ATOM 0 HA MET A 93 -3.267 5.460 8.491 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.516 6.694 9.035 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.119 5.904 7.591 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.686 4.570 9.535 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.535 3.694 8.545 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.092 4.907 12.884 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.942 5.978 11.745 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.507 4.308 11.985 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.207 3.921 6.563 1.00 0.00 N ATOM 1363 CA ILE A 94 -3.086 3.028 5.418 1.00 0.00 C ATOM 1364 C ILE A 94 -3.560 1.621 5.765 1.00 0.00 C ATOM 1365 O ILE A 94 -3.312 1.124 6.863 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.633 2.958 4.910 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -1.087 4.366 4.664 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.556 2.125 3.639 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.405 4.401 4.417 1.00 0.00 C ATOM 0 H ILE A 94 -2.690 3.620 7.389 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.719 3.437 4.630 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.020 2.479 5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.599 4.801 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.319 4.993 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.523 2.085 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.909 1.115 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.180 2.578 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.722 5.430 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.927 3.996 5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.642 3.802 3.538 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.242 0.982 4.819 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.739 -0.363 5.043 1.00 0.00 C ATOM 1383 C GLY A 95 -4.237 -1.347 4.006 1.00 0.00 C ATOM 1384 O GLY A 95 -4.803 -1.456 2.917 1.00 0.00 O ATOM 0 H GLY A 95 -4.459 1.372 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.435 -0.699 6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.829 -0.351 5.030 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.170 -2.066 4.341 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.591 -3.045 3.429 1.00 0.00 C ATOM 1390 C VAL A 96 -3.312 -4.384 3.531 1.00 0.00 C ATOM 1391 O VAL A 96 -3.328 -5.016 4.588 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.092 -3.259 3.714 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.522 -4.330 2.796 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.329 -1.952 3.560 1.00 0.00 C ATOM 0 H VAL A 96 -2.689 -1.989 5.237 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.709 -2.648 2.421 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.980 -3.599 4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.538 -4.468 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.051 -5.269 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.644 -4.022 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.728 -2.121 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.446 -1.580 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.721 -1.217 4.262 1.00 0.00 H new ATOM 1404 N THR A 97 -3.910 -4.814 2.424 1.00 0.00 N ATOM 1405 CA THR A 97 -4.635 -6.078 2.388 1.00 0.00 C ATOM 1406 C THR A 97 -4.017 -7.037 1.377 1.00 0.00 C ATOM 1407 O THR A 97 -3.534 -6.619 0.324 1.00 0.00 O ATOM 1408 CB THR A 97 -6.119 -5.865 2.035 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.232 -5.059 0.857 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.858 -5.196 3.185 1.00 0.00 C ATOM 0 H THR A 97 -3.906 -4.305 1.540 1.00 0.00 H new ATOM 0 HA THR A 97 -4.565 -6.511 3.386 1.00 0.00 H new ATOM 0 HB THR A 97 -6.569 -6.841 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.179 -4.930 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.904 -5.056 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.795 -5.825 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.405 -4.227 3.394 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.035 -8.325 1.702 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.475 -9.344 0.823 1.00 0.00 C ATOM 1420 C TYR A 98 -4.407 -10.547 0.719 1.00 0.00 C ATOM 1421 O TYR A 98 -4.637 -11.254 1.699 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.103 -9.789 1.333 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.168 -10.246 0.236 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.469 -9.326 -0.536 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -0.983 -11.597 -0.029 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.386 -9.739 -1.540 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.130 -12.019 -1.030 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.552 -11.086 -1.783 1.00 0.00 C ATOM 1429 OH TYR A 98 1.404 -11.501 -2.781 1.00 0.00 O ATOM 0 H TYR A 98 -4.432 -8.688 2.569 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.362 -8.909 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.640 -8.963 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.236 -10.602 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.596 -8.270 -0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.516 -12.330 0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.921 -9.011 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.002 -13.074 -1.222 1.00 0.00 H new ATOM 0 HH TYR A 98 1.891 -12.298 -2.485 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.941 -10.773 -0.477 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.841 -11.891 -0.688 1.00 0.00 C ATOM 1441 C GLY A 99 -7.113 -11.774 0.129 1.00 0.00 C ATOM 1442 O GLY A 99 -7.537 -12.733 0.771 1.00 0.00 O ATOM 0 H GLY A 99 -4.766 -10.202 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.097 -11.953 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.330 -12.818 -0.429 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.722 -10.592 0.106 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.946 -10.374 0.855 1.00 0.00 C ATOM 1448 C GLY A 100 -8.761 -10.595 2.344 1.00 0.00 C ATOM 1449 O GLY A 100 -9.679 -11.045 3.030 1.00 0.00 O ATOM 0 H GLY A 100 -7.390 -9.782 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.298 -9.357 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.720 -11.046 0.484 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.571 -10.280 2.844 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.269 -10.447 4.260 1.00 0.00 C ATOM 1455 C ASP A 101 -6.278 -9.388 4.733 1.00 0.00 C ATOM 1456 O ASP A 101 -5.142 -9.330 4.260 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.704 -11.844 4.522 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.792 -12.877 4.740 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.259 -13.466 3.743 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.178 -13.095 5.908 1.00 0.00 O ATOM 0 H ASP A 101 -6.800 -9.908 2.289 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.196 -10.328 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.084 -12.146 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.056 -11.812 5.398 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.715 -8.551 5.667 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.867 -7.493 6.204 1.00 0.00 C ATOM 1467 C ASP A 102 -4.875 -8.054 7.218 1.00 0.00 C ATOM 1468 O ASP A 102 -5.221 -8.912 8.030 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.722 -6.406 6.857 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.968 -6.966 7.514 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.832 -7.834 8.401 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -9.081 -6.538 7.139 1.00 0.00 O ATOM 0 H ASP A 102 -7.652 -8.584 6.068 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.307 -7.056 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.127 -5.879 7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.010 -5.673 6.104 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.640 -7.565 7.163 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.598 -8.018 8.076 1.00 0.00 C ATOM 1479 C ILE A 103 -2.842 -7.498 9.489 1.00 0.00 C ATOM 1480 O ILE A 103 -3.498 -6.478 9.697 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.203 -7.564 7.607 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.240 -6.099 7.168 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.711 -8.451 6.473 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.131 -5.483 7.000 1.00 0.00 C ATOM 0 H ILE A 103 -3.337 -6.855 6.496 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.634 -9.107 8.081 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.508 -7.656 8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.781 -6.025 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.801 -5.522 7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.276 -8.118 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.651 -9.483 6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.405 -8.389 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.027 -4.444 6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.667 -5.525 7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.688 -6.035 6.243 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.300 -8.215 10.484 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.442 -7.844 11.895 1.00 0.00 C ATOM 1498 C PRO A 104 -1.660 -6.584 12.245 1.00 0.00 C ATOM 1499 O PRO A 104 -1.629 -6.160 13.402 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.870 -9.053 12.639 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.921 -9.677 11.675 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.505 -9.443 10.309 1.00 0.00 C ATOM 0 HA PRO A 104 -3.476 -7.617 12.154 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.362 -8.750 13.555 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.657 -9.750 12.927 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.070 -9.230 11.758 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.807 -10.743 11.874 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.727 -9.314 9.556 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.124 -10.280 9.988 1.00 0.00 H new ATOM 1510 N LEU A 105 -1.028 -5.987 11.241 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.245 -4.773 11.442 1.00 0.00 C ATOM 1512 C LEU A 105 -1.018 -3.543 10.978 1.00 0.00 C ATOM 1513 O LEU A 105 -0.839 -2.448 11.511 1.00 0.00 O ATOM 1514 CB LEU A 105 1.084 -4.868 10.690 1.00 0.00 C ATOM 1515 CG LEU A 105 2.225 -5.567 11.429 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.580 -4.811 12.700 1.00 0.00 C ATOM 1517 CD2 LEU A 105 1.851 -7.007 11.749 1.00 0.00 C ATOM 0 H LEU A 105 -1.042 -6.324 10.278 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.045 -4.673 12.509 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.910 -5.394 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.407 -3.859 10.435 1.00 0.00 H new ATOM 0 HG LEU A 105 3.101 -5.576 10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.394 -5.323 13.213 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.892 -3.798 12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.709 -4.769 13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.675 -7.489 12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.961 -7.021 12.379 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.648 -7.545 10.823 1.00 0.00 H new ATOM 1529 N SER A 106 -1.879 -3.732 9.984 1.00 0.00 N ATOM 1530 CA SER A 106 -2.679 -2.637 9.447 1.00 0.00 C ATOM 1531 C SER A 106 -3.864 -2.332 10.359 1.00 0.00 C ATOM 1532 O SER A 106 -4.343 -3.187 11.105 1.00 0.00 O ATOM 1533 CB SER A 106 -3.178 -2.983 8.043 1.00 0.00 C ATOM 1534 OG SER A 106 -4.442 -3.622 8.093 1.00 0.00 O ATOM 0 H SER A 106 -2.041 -4.633 9.534 1.00 0.00 H new ATOM 0 HA SER A 106 -2.047 -1.751 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.250 -2.074 7.445 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.457 -3.634 7.548 1.00 0.00 H new ATOM 0 HG SER A 106 -4.739 -3.831 7.183 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.350 -1.084 10.299 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.788 -0.057 9.416 1.00 0.00 C ATOM 1542 C PRO A 107 -2.404 0.398 9.863 1.00 0.00 C ATOM 1543 O PRO A 107 -1.853 -0.120 10.835 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.791 1.094 9.526 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.436 0.908 10.857 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.485 -0.577 11.089 1.00 0.00 C ATOM 0 HA PRO A 107 -3.651 -0.425 8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.293 2.061 9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.525 1.057 8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.865 1.407 11.640 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.437 1.338 10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.380 -0.822 12.146 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.430 -1.005 10.755 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.846 1.369 9.149 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.524 1.893 9.472 1.00 0.00 C ATOM 1556 C TYR A 108 -0.605 3.359 9.888 1.00 0.00 C ATOM 1557 O TYR A 108 -1.146 4.193 9.161 1.00 0.00 O ATOM 1558 CB TYR A 108 0.414 1.743 8.273 1.00 0.00 C ATOM 1559 CG TYR A 108 1.014 0.361 8.143 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.303 -0.674 7.549 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.293 0.091 8.614 1.00 0.00 C ATOM 1562 CE1 TYR A 108 0.847 -1.938 7.430 1.00 0.00 C ATOM 1563 CE2 TYR A 108 2.846 -1.169 8.497 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.119 -2.181 7.904 1.00 0.00 C ATOM 1565 OH TYR A 108 2.665 -3.438 7.786 1.00 0.00 O ATOM 0 H TYR A 108 -2.289 1.809 8.342 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.128 1.318 10.309 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.135 1.979 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.219 2.473 8.358 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.692 -0.487 7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.865 0.880 9.080 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.279 -2.732 6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 108 3.842 -1.361 8.868 1.00 0.00 H new ATOM 0 HH TYR A 108 3.567 -3.440 8.169 1.00 0.00 H new ATOM 1575 N ARG A 109 -0.064 3.665 11.062 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.075 5.029 11.577 1.00 0.00 C ATOM 1577 C ARG A 109 1.153 5.799 11.100 1.00 0.00 C ATOM 1578 O ARG A 109 2.288 5.385 11.338 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.123 5.020 13.106 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.355 4.333 13.672 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.068 3.704 15.027 1.00 0.00 C ATOM 1582 NE ARG A 109 -2.207 2.936 15.526 1.00 0.00 N ATOM 1583 CZ ARG A 109 -3.228 3.478 16.180 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -3.254 4.783 16.413 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -4.227 2.713 16.602 1.00 0.00 N ATOM 0 H ARG A 109 0.388 2.987 11.675 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.966 5.528 11.196 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.768 4.521 13.486 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.092 6.048 13.468 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.164 5.057 13.769 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.696 3.565 12.978 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.198 3.052 14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.816 4.486 15.744 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.218 1.929 15.363 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.488 5.374 16.090 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.040 5.196 16.916 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.211 1.709 16.424 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.011 3.129 17.104 1.00 0.00 H new ATOM 1599 N ILE A 110 0.917 6.921 10.428 1.00 0.00 N ATOM 1600 CA ILE A 110 2.004 7.748 9.919 1.00 0.00 C ATOM 1601 C ILE A 110 1.655 9.230 10.010 1.00 0.00 C ATOM 1602 O ILE A 110 0.482 9.600 10.064 1.00 0.00 O ATOM 1603 CB ILE A 110 2.339 7.401 8.457 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.425 5.884 8.277 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.644 8.064 8.040 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.655 5.457 6.844 1.00 0.00 C ATOM 0 H ILE A 110 -0.016 7.278 10.224 1.00 0.00 H new ATOM 0 HA ILE A 110 2.875 7.542 10.541 1.00 0.00 H new ATOM 0 HB ILE A 110 1.542 7.780 7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.234 5.498 8.897 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.502 5.431 8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.867 7.809 7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.549 9.146 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.452 7.713 8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.705 4.369 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.833 5.812 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.592 5.881 6.484 1.00 0.00 H new ATOM 1618 N ARG A 111 2.682 10.074 10.026 1.00 0.00 N ATOM 1619 CA ARG A 111 2.484 11.516 10.110 1.00 0.00 C ATOM 1620 C ARG A 111 3.538 12.258 9.293 1.00 0.00 C ATOM 1621 O ARG A 111 4.733 11.990 9.415 1.00 0.00 O ATOM 1622 CB ARG A 111 2.537 11.975 11.568 1.00 0.00 C ATOM 1623 CG ARG A 111 3.692 11.376 12.354 1.00 0.00 C ATOM 1624 CD ARG A 111 3.913 12.111 13.667 1.00 0.00 C ATOM 1625 NE ARG A 111 4.284 13.508 13.457 1.00 0.00 N ATOM 1626 CZ ARG A 111 4.964 14.229 14.342 1.00 0.00 C ATOM 1627 NH1 ARG A 111 5.345 13.687 15.491 1.00 0.00 N ATOM 1628 NH2 ARG A 111 5.264 15.494 14.079 1.00 0.00 N ATOM 0 H ARG A 111 3.659 9.784 9.982 1.00 0.00 H new ATOM 0 HA ARG A 111 1.501 11.747 9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.615 13.062 11.595 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.600 11.711 12.058 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.490 10.324 12.554 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.602 11.418 11.755 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.004 12.064 14.266 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.696 11.610 14.236 1.00 0.00 H new ATOM 0 HE ARG A 111 4.006 13.955 12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.116 12.715 15.697 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.867 14.243 16.169 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.973 15.914 13.197 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.786 16.046 14.759 1.00 0.00 H new ATOM 1642 N ALA A 112 3.086 13.191 8.462 1.00 0.00 N ATOM 1643 CA ALA A 112 3.990 13.972 7.626 1.00 0.00 C ATOM 1644 C ALA A 112 4.480 15.215 8.361 1.00 0.00 C ATOM 1645 O ALA A 112 3.691 16.092 8.715 1.00 0.00 O ATOM 1646 CB ALA A 112 3.302 14.362 6.326 1.00 0.00 C ATOM 0 H ALA A 112 2.100 13.425 8.349 1.00 0.00 H new ATOM 0 HA ALA A 112 4.857 13.353 7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.988 14.945 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.007 13.462 5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.417 14.959 6.547 1.00 0.00 H new ATOM 1652 N THR A 113 5.788 15.285 8.589 1.00 0.00 N ATOM 1653 CA THR A 113 6.383 16.420 9.284 1.00 0.00 C ATOM 1654 C THR A 113 7.105 17.344 8.309 1.00 0.00 C ATOM 1655 O THR A 113 7.801 16.884 7.405 1.00 0.00 O ATOM 1656 CB THR A 113 7.376 15.957 10.367 1.00 0.00 C ATOM 1657 OG1 THR A 113 7.990 17.093 10.986 1.00 0.00 O ATOM 1658 CG2 THR A 113 8.448 15.058 9.769 1.00 0.00 C ATOM 0 H THR A 113 6.455 14.569 8.302 1.00 0.00 H new ATOM 0 HA THR A 113 5.567 16.964 9.759 1.00 0.00 H new ATOM 0 HB THR A 113 6.824 15.389 11.116 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.619 16.791 11.674 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.138 14.744 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.980 14.180 9.324 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.996 15.605 9.002 1.00 0.00 H new ATOM 1666 N GLN A 114 6.934 18.648 8.501 1.00 0.00 N ATOM 1667 CA GLN A 114 7.571 19.636 7.638 1.00 0.00 C ATOM 1668 C GLN A 114 8.579 20.471 8.419 1.00 0.00 C ATOM 1669 O GLN A 114 8.231 21.128 9.400 1.00 0.00 O ATOM 1670 CB GLN A 114 6.516 20.546 7.006 1.00 0.00 C ATOM 1671 CG GLN A 114 7.013 21.292 5.778 1.00 0.00 C ATOM 1672 CD GLN A 114 8.270 22.094 6.051 1.00 0.00 C ATOM 1673 OE1 GLN A 114 8.270 23.009 6.875 1.00 0.00 O ATOM 1674 NE2 GLN A 114 9.352 21.754 5.360 1.00 0.00 N ATOM 0 H GLN A 114 6.361 19.045 9.245 1.00 0.00 H new ATOM 0 HA GLN A 114 8.102 19.105 6.848 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.649 19.946 6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.180 21.269 7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.209 20.578 4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.230 21.961 5.423 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.308 20.989 4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.227 22.258 5.502 1.00 0.00 H new ATOM 1683 N THR A 115 9.833 20.443 7.976 1.00 0.00 N ATOM 1684 CA THR A 115 10.893 21.196 8.634 1.00 0.00 C ATOM 1685 C THR A 115 11.673 22.038 7.631 1.00 0.00 C ATOM 1686 O THR A 115 12.402 21.508 6.794 1.00 0.00 O ATOM 1687 CB THR A 115 11.870 20.262 9.373 1.00 0.00 C ATOM 1688 OG1 THR A 115 11.153 19.432 10.293 1.00 0.00 O ATOM 1689 CG2 THR A 115 12.924 21.065 10.122 1.00 0.00 C ATOM 0 H THR A 115 10.139 19.907 7.164 1.00 0.00 H new ATOM 0 HA THR A 115 10.411 21.853 9.359 1.00 0.00 H new ATOM 0 HB THR A 115 12.370 19.636 8.633 1.00 0.00 H new ATOM 0 HG1 THR A 115 11.781 18.840 10.757 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.603 20.384 10.636 1.00 0.00 H new ATOM 0 HG22 THR A 115 13.488 21.674 9.415 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.438 21.712 10.852 1.00 0.00 H new ATOM 1697 N GLY A 116 11.515 23.355 7.722 1.00 0.00 N ATOM 1698 CA GLY A 116 12.212 24.250 6.816 1.00 0.00 C ATOM 1699 C GLY A 116 11.588 25.631 6.771 1.00 0.00 C ATOM 1700 O GLY A 116 10.584 25.844 6.091 1.00 0.00 O ATOM 0 H GLY A 116 10.917 23.818 8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.254 24.335 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.210 23.821 5.814 1.00 0.00 H new ATOM 1704 N ASP A 117 12.182 26.571 7.498 1.00 0.00 N ATOM 1705 CA ASP A 117 11.677 27.939 7.538 1.00 0.00 C ATOM 1706 C ASP A 117 11.714 28.572 6.151 1.00 0.00 C ATOM 1707 O ASP A 117 12.602 28.284 5.349 1.00 0.00 O ATOM 1708 CB ASP A 117 12.498 28.778 8.518 1.00 0.00 C ATOM 1709 CG ASP A 117 13.812 29.245 7.921 1.00 0.00 C ATOM 1710 OD1 ASP A 117 13.784 30.149 7.060 1.00 0.00 O ATOM 1711 OD2 ASP A 117 14.867 28.706 8.315 1.00 0.00 O ATOM 0 H ASP A 117 13.013 26.411 8.067 1.00 0.00 H new ATOM 0 HA ASP A 117 10.641 27.909 7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 117 11.914 29.645 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.698 28.192 9.415 1.00 0.00 H new ATOM 1716 N ALA A 118 10.742 29.436 5.875 1.00 0.00 N ATOM 1717 CA ALA A 118 10.663 30.111 4.586 1.00 0.00 C ATOM 1718 C ALA A 118 10.395 31.602 4.762 1.00 0.00 C ATOM 1719 O ALA A 118 9.394 31.996 5.361 1.00 0.00 O ATOM 1720 CB ALA A 118 9.582 29.477 3.723 1.00 0.00 C ATOM 0 H ALA A 118 9.998 29.685 6.527 1.00 0.00 H new ATOM 0 HA ALA A 118 11.625 29.998 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.534 29.991 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.817 28.425 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.619 29.560 4.227 1.00 0.00 H new ATOM 1726 N SER A 119 11.296 32.427 4.238 1.00 0.00 N ATOM 1727 CA SER A 119 11.158 33.875 4.342 1.00 0.00 C ATOM 1728 C SER A 119 9.784 34.326 3.857 1.00 0.00 C ATOM 1729 O SER A 119 9.416 35.491 4.001 1.00 0.00 O ATOM 1730 CB SER A 119 12.252 34.572 3.530 1.00 0.00 C ATOM 1731 OG SER A 119 11.952 35.944 3.343 1.00 0.00 O ATOM 0 H SER A 119 12.129 32.118 3.737 1.00 0.00 H new ATOM 0 HA SER A 119 11.262 34.151 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.209 34.472 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.357 34.084 2.561 1.00 0.00 H new ATOM 0 HG SER A 119 11.091 36.151 3.763 1.00 0.00 H new TER 1737 SER A 119