USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 864 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00439 (180deg=-0.145) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0433 X(o=-0.043,f=-0.19) USER MOD Single : A 8 THR OG1 : rot -10:sc= 0.611 USER MOD Single : A 9 SER OG : rot 95:sc= -0.141 USER MOD Single : A 11 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.072) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot 170:sc= 0 USER MOD Single : A 20 SER OG : rot 89:sc= 1.24 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -5.18! C(o=-5.2!,f=-6.8!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=-0.0058) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc=-0.00514 X(o=-0.0051,f=-0.14) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 72 GLN : amide:sc= -0.212 K(o=-0.21,f=-1) USER MOD Single : A 73 ASN : amide:sc= -0.0524 K(o=-0.052,f=-0.69) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 74:sc= 0.81 USER MOD Single : A 81 ASN : amide:sc= -4.01! C(o=-4!,f=-11!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.843 K(o=-0.84,f=-3.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00212 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -35:sc= 0.442 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.951 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.891 -26.297 -2.230 1.00 1.20 N ATOM 2 CA MET A 1 2.669 -25.520 -3.444 1.00 44.11 C ATOM 3 C MET A 1 3.648 -24.353 -3.529 1.00 2.00 C ATOM 4 O MET A 1 4.131 -24.013 -4.609 1.00 22.20 O ATOM 5 CB MET A 1 1.232 -24.999 -3.486 1.00 54.14 C ATOM 6 CG MET A 1 0.616 -25.025 -4.876 1.00 63.41 C ATOM 7 SD MET A 1 -0.273 -26.558 -5.213 1.00 44.40 S ATOM 8 CE MET A 1 -1.878 -26.178 -4.516 1.00 52.32 C ATOM 0 H1 MET A 1 2.362 -27.191 -2.288 1.00 1.20 H new ATOM 0 H2 MET A 1 3.906 -26.501 -2.129 1.00 1.20 H new ATOM 0 H3 MET A 1 2.564 -25.754 -1.406 1.00 1.20 H new ATOM 0 HA MET A 1 2.836 -26.174 -4.300 1.00 44.11 H new ATOM 0 HB2 MET A 1 0.617 -25.598 -2.814 1.00 54.14 H new ATOM 0 HB3 MET A 1 1.214 -23.977 -3.109 1.00 54.14 H new ATOM 0 HG2 MET A 1 -0.067 -24.182 -4.982 1.00 63.41 H new ATOM 0 HG3 MET A 1 1.402 -24.894 -5.620 1.00 63.41 H new ATOM 0 HE1 MET A 1 -2.543 -27.032 -4.647 1.00 52.32 H new ATOM 0 HE2 MET A 1 -1.771 -25.961 -3.453 1.00 52.32 H new ATOM 0 HE3 MET A 1 -2.299 -25.310 -5.023 1.00 52.32 H new ATOM 18 N SER A 2 3.936 -23.743 -2.384 1.00 31.14 N ATOM 19 CA SER A 2 4.854 -22.611 -2.330 1.00 30.43 C ATOM 20 C SER A 2 6.259 -23.032 -2.749 1.00 44.40 C ATOM 21 O SER A 2 6.488 -24.177 -3.139 1.00 53.11 O ATOM 22 CB SER A 2 4.886 -22.020 -0.919 1.00 72.01 C ATOM 23 OG SER A 2 3.602 -22.060 -0.320 1.00 61.32 O ATOM 0 H SER A 2 3.547 -24.014 -1.481 1.00 31.14 H new ATOM 0 HA SER A 2 4.498 -21.852 -3.026 1.00 30.43 H new ATOM 0 HB2 SER A 2 5.595 -22.575 -0.305 1.00 72.01 H new ATOM 0 HB3 SER A 2 5.239 -20.990 -0.961 1.00 72.01 H new ATOM 0 HG SER A 2 3.649 -21.678 0.581 1.00 61.32 H new ATOM 29 N LYS A 3 7.199 -22.096 -2.666 1.00 23.11 N ATOM 30 CA LYS A 3 8.584 -22.367 -3.035 1.00 13.32 C ATOM 31 C LYS A 3 9.487 -21.199 -2.652 1.00 40.31 C ATOM 32 O LYS A 3 10.610 -21.396 -2.190 1.00 32.11 O ATOM 33 CB LYS A 3 8.689 -22.636 -4.538 1.00 3.14 C ATOM 34 CG LYS A 3 9.519 -23.862 -4.879 1.00 55.21 C ATOM 35 CD LYS A 3 10.043 -23.801 -6.304 1.00 32.11 C ATOM 36 CE LYS A 3 9.055 -24.410 -7.288 1.00 3.14 C ATOM 37 NZ LYS A 3 9.017 -23.658 -8.572 1.00 52.42 N ATOM 0 H LYS A 3 7.027 -21.143 -2.346 1.00 23.11 H new ATOM 0 HA LYS A 3 8.913 -23.252 -2.490 1.00 13.32 H new ATOM 0 HB2 LYS A 3 7.687 -22.761 -4.947 1.00 3.14 H new ATOM 0 HB3 LYS A 3 9.126 -21.764 -5.025 1.00 3.14 H new ATOM 0 HG2 LYS A 3 10.356 -23.940 -4.185 1.00 55.21 H new ATOM 0 HG3 LYS A 3 8.914 -24.760 -4.751 1.00 55.21 H new ATOM 0 HD2 LYS A 3 10.238 -22.764 -6.577 1.00 32.11 H new ATOM 0 HD3 LYS A 3 10.994 -24.331 -6.366 1.00 32.11 H new ATOM 0 HE2 LYS A 3 9.328 -25.447 -7.482 1.00 3.14 H new ATOM 0 HE3 LYS A 3 8.060 -24.421 -6.844 1.00 3.14 H new ATOM 0 HZ1 LYS A 3 8.332 -24.104 -9.215 1.00 52.42 H new ATOM 0 HZ2 LYS A 3 8.731 -22.675 -8.390 1.00 52.42 H new ATOM 0 HZ3 LYS A 3 9.961 -23.669 -9.009 1.00 52.42 H new ATOM 51 N ASN A 4 8.988 -19.982 -2.847 1.00 22.23 N ATOM 52 CA ASN A 4 9.751 -18.782 -2.521 1.00 34.42 C ATOM 53 C ASN A 4 9.019 -17.939 -1.481 1.00 2.01 C ATOM 54 O ASN A 4 7.994 -18.353 -0.942 1.00 34.31 O ATOM 55 CB ASN A 4 10.000 -17.953 -3.782 1.00 64.42 C ATOM 56 CG ASN A 4 11.416 -17.414 -3.848 1.00 41.44 C ATOM 57 OD1 ASN A 4 12.384 -18.161 -3.711 1.00 64.42 O ATOM 58 ND2 ASN A 4 11.542 -16.109 -4.059 1.00 42.42 N ATOM 0 H ASN A 4 8.060 -19.801 -3.229 1.00 22.23 H new ATOM 0 HA ASN A 4 10.709 -19.092 -2.103 1.00 34.42 H new ATOM 0 HB2 ASN A 4 9.806 -18.567 -4.662 1.00 64.42 H new ATOM 0 HB3 ASN A 4 9.296 -17.122 -3.812 1.00 64.42 H new ATOM 0 HD21 ASN A 4 12.470 -15.688 -4.113 1.00 42.42 H new ATOM 0 HD22 ASN A 4 10.711 -15.527 -4.167 1.00 42.42 H new ATOM 65 N GLU A 5 9.555 -16.754 -1.205 1.00 55.34 N ATOM 66 CA GLU A 5 8.952 -15.852 -0.230 1.00 63.41 C ATOM 67 C GLU A 5 7.606 -15.335 -0.727 1.00 15.43 C ATOM 68 O GLU A 5 6.658 -15.197 0.047 1.00 32.20 O ATOM 69 CB GLU A 5 9.889 -14.677 0.057 1.00 14.22 C ATOM 70 CG GLU A 5 11.246 -15.097 0.594 1.00 24.24 C ATOM 71 CD GLU A 5 12.149 -13.915 0.888 1.00 44.25 C ATOM 72 OE1 GLU A 5 11.920 -12.835 0.304 1.00 15.31 O ATOM 73 OE2 GLU A 5 13.085 -14.069 1.699 1.00 23.34 O ATOM 0 H GLU A 5 10.404 -16.397 -1.642 1.00 55.34 H new ATOM 0 HA GLU A 5 8.788 -16.410 0.692 1.00 63.41 H new ATOM 0 HB2 GLU A 5 10.032 -14.105 -0.860 1.00 14.22 H new ATOM 0 HB3 GLU A 5 9.413 -14.011 0.777 1.00 14.22 H new ATOM 0 HG2 GLU A 5 11.108 -15.679 1.505 1.00 24.24 H new ATOM 0 HG3 GLU A 5 11.733 -15.750 -0.130 1.00 24.24 H new ATOM 80 N ARG A 6 7.529 -15.049 -2.022 1.00 45.53 N ATOM 81 CA ARG A 6 6.300 -14.544 -2.622 1.00 63.25 C ATOM 82 C ARG A 6 5.501 -15.678 -3.258 1.00 52.33 C ATOM 83 O ARG A 6 6.058 -16.711 -3.631 1.00 13.34 O ATOM 84 CB ARG A 6 6.620 -13.480 -3.673 1.00 42.54 C ATOM 85 CG ARG A 6 7.338 -14.027 -4.896 1.00 43.01 C ATOM 86 CD ARG A 6 8.170 -12.954 -5.581 1.00 3.25 C ATOM 87 NE ARG A 6 9.358 -13.509 -6.224 1.00 32.30 N ATOM 88 CZ ARG A 6 10.336 -12.766 -6.728 1.00 42.32 C ATOM 89 NH1 ARG A 6 10.269 -11.443 -6.663 1.00 70.14 N ATOM 90 NH2 ARG A 6 11.385 -13.345 -7.298 1.00 41.04 N ATOM 0 H ARG A 6 8.304 -15.158 -2.677 1.00 45.53 H new ATOM 0 HA ARG A 6 5.697 -14.095 -1.833 1.00 63.25 H new ATOM 0 HB2 ARG A 6 5.692 -13.004 -3.990 1.00 42.54 H new ATOM 0 HB3 ARG A 6 7.236 -12.705 -3.217 1.00 42.54 H new ATOM 0 HG2 ARG A 6 7.982 -14.855 -4.601 1.00 43.01 H new ATOM 0 HG3 ARG A 6 6.608 -14.427 -5.599 1.00 43.01 H new ATOM 0 HD2 ARG A 6 7.560 -12.443 -6.326 1.00 3.25 H new ATOM 0 HD3 ARG A 6 8.471 -12.206 -4.848 1.00 3.25 H new ATOM 0 HE ARG A 6 9.441 -14.524 -6.289 1.00 32.30 H new ATOM 0 HH11 ARG A 6 9.465 -10.994 -6.225 1.00 70.14 H new ATOM 0 HH12 ARG A 6 11.022 -10.875 -7.051 1.00 70.14 H new ATOM 0 HH21 ARG A 6 11.441 -14.362 -7.349 1.00 41.04 H new ATOM 0 HH22 ARG A 6 12.136 -12.773 -7.685 1.00 41.04 H new ATOM 104 N ASP A 7 4.193 -15.477 -3.379 1.00 22.23 N ATOM 105 CA ASP A 7 3.317 -16.482 -3.970 1.00 12.22 C ATOM 106 C ASP A 7 2.652 -15.947 -5.234 1.00 42.34 C ATOM 107 O ASP A 7 1.570 -16.393 -5.617 1.00 64.55 O ATOM 108 CB ASP A 7 2.250 -16.915 -2.963 1.00 25.33 C ATOM 109 CG ASP A 7 2.736 -18.020 -2.045 1.00 70.21 C ATOM 110 OD1 ASP A 7 3.966 -18.215 -1.951 1.00 34.12 O ATOM 111 OD2 ASP A 7 1.886 -18.691 -1.422 1.00 1.42 O ATOM 0 H ASP A 7 3.716 -14.628 -3.076 1.00 22.23 H new ATOM 0 HA ASP A 7 3.925 -17.346 -4.238 1.00 12.22 H new ATOM 0 HB2 ASP A 7 1.949 -16.055 -2.364 1.00 25.33 H new ATOM 0 HB3 ASP A 7 1.365 -17.255 -3.500 1.00 25.33 H new ATOM 116 N THR A 8 3.306 -14.986 -5.879 1.00 42.44 N ATOM 117 CA THR A 8 2.778 -14.388 -7.099 1.00 43.32 C ATOM 118 C THR A 8 1.327 -13.959 -6.918 1.00 12.23 C ATOM 119 O THR A 8 0.524 -14.043 -7.847 1.00 32.01 O ATOM 120 CB THR A 8 2.869 -15.363 -8.288 1.00 34.43 C ATOM 121 OG1 THR A 8 1.844 -16.358 -8.184 1.00 31.21 O ATOM 122 CG2 THR A 8 4.232 -16.036 -8.333 1.00 44.24 C ATOM 0 H THR A 8 4.203 -14.605 -5.577 1.00 42.44 H new ATOM 0 HA THR A 8 3.389 -13.511 -7.311 1.00 43.32 H new ATOM 0 HB THR A 8 2.732 -14.794 -9.208 1.00 34.43 H new ATOM 0 HG1 THR A 8 1.417 -16.297 -7.304 1.00 31.21 H new ATOM 0 HG21 THR A 8 4.272 -16.720 -9.181 1.00 44.24 H new ATOM 0 HG22 THR A 8 5.008 -15.279 -8.440 1.00 44.24 H new ATOM 0 HG23 THR A 8 4.394 -16.593 -7.410 1.00 44.24 H new ATOM 130 N SER A 9 0.997 -13.498 -5.715 1.00 75.14 N ATOM 131 CA SER A 9 -0.360 -13.059 -5.411 1.00 52.44 C ATOM 132 C SER A 9 -0.795 -11.945 -6.359 1.00 14.44 C ATOM 133 O SER A 9 -1.822 -12.051 -7.031 1.00 5.13 O ATOM 134 CB SER A 9 -0.450 -12.576 -3.963 1.00 2.55 C ATOM 135 OG SER A 9 0.464 -11.521 -3.719 1.00 45.52 O ATOM 0 H SER A 9 1.651 -13.419 -4.936 1.00 75.14 H new ATOM 0 HA SER A 9 -1.029 -13.909 -5.545 1.00 52.44 H new ATOM 0 HB2 SER A 9 -1.465 -12.238 -3.751 1.00 2.55 H new ATOM 0 HB3 SER A 9 -0.242 -13.405 -3.286 1.00 2.55 H new ATOM 0 HG SER A 9 0.008 -10.661 -3.831 1.00 45.52 H new ATOM 141 N PHE A 10 -0.007 -10.876 -6.406 1.00 54.44 N ATOM 142 CA PHE A 10 -0.310 -9.740 -7.270 1.00 34.40 C ATOM 143 C PHE A 10 0.860 -9.437 -8.200 1.00 43.04 C ATOM 144 O PHE A 10 1.997 -9.282 -7.755 1.00 55.32 O ATOM 145 CB PHE A 10 -0.641 -8.506 -6.428 1.00 62.03 C ATOM 146 CG PHE A 10 -1.527 -8.802 -5.252 1.00 25.10 C ATOM 147 CD1 PHE A 10 -2.622 -9.640 -5.386 1.00 65.52 C ATOM 148 CD2 PHE A 10 -1.264 -8.243 -4.012 1.00 1.31 C ATOM 149 CE1 PHE A 10 -3.439 -9.914 -4.306 1.00 5.15 C ATOM 150 CE2 PHE A 10 -2.077 -8.513 -2.927 1.00 52.24 C ATOM 151 CZ PHE A 10 -3.165 -9.350 -3.074 1.00 74.44 C ATOM 0 H PHE A 10 0.846 -10.772 -5.856 1.00 54.44 H new ATOM 0 HA PHE A 10 -1.177 -9.999 -7.878 1.00 34.40 H new ATOM 0 HB2 PHE A 10 0.287 -8.061 -6.070 1.00 62.03 H new ATOM 0 HB3 PHE A 10 -1.127 -7.764 -7.061 1.00 62.03 H new ATOM 0 HD1 PHE A 10 -2.840 -10.084 -6.346 1.00 65.52 H new ATOM 0 HD2 PHE A 10 -0.414 -7.588 -3.892 1.00 1.31 H new ATOM 0 HE1 PHE A 10 -4.290 -10.568 -4.424 1.00 5.15 H new ATOM 0 HE2 PHE A 10 -1.861 -8.070 -1.966 1.00 52.24 H new ATOM 0 HZ PHE A 10 -3.801 -9.564 -2.228 1.00 74.44 H new ATOM 161 N ASN A 11 0.573 -9.355 -9.496 1.00 2.35 N ATOM 162 CA ASN A 11 1.602 -9.071 -10.490 1.00 33.21 C ATOM 163 C ASN A 11 1.513 -7.625 -10.968 1.00 15.04 C ATOM 164 O ASN A 11 1.001 -7.348 -12.053 1.00 1.03 O ATOM 165 CB ASN A 11 1.465 -10.023 -11.680 1.00 45.44 C ATOM 166 CG ASN A 11 2.424 -11.194 -11.597 1.00 23.54 C ATOM 167 OD1 ASN A 11 2.132 -12.205 -10.957 1.00 63.34 O ATOM 168 ND2 ASN A 11 3.577 -11.063 -12.244 1.00 34.44 N ATOM 0 H ASN A 11 -0.363 -9.481 -9.882 1.00 2.35 H new ATOM 0 HA ASN A 11 2.575 -9.220 -10.023 1.00 33.21 H new ATOM 0 HB2 ASN A 11 0.442 -10.397 -11.727 1.00 45.44 H new ATOM 0 HB3 ASN A 11 1.646 -9.474 -12.604 1.00 45.44 H new ATOM 0 HD21 ASN A 11 4.262 -11.818 -12.223 1.00 34.44 H new ATOM 0 HD22 ASN A 11 3.777 -10.207 -12.762 1.00 34.44 H new ATOM 175 N LYS A 12 2.014 -6.706 -10.150 1.00 4.31 N ATOM 176 CA LYS A 12 1.994 -5.287 -10.488 1.00 22.51 C ATOM 177 C LYS A 12 2.876 -5.004 -11.700 1.00 75.53 C ATOM 178 O LYS A 12 2.576 -4.123 -12.505 1.00 31.41 O ATOM 179 CB LYS A 12 2.465 -4.451 -9.296 1.00 33.23 C ATOM 180 CG LYS A 12 3.891 -4.750 -8.869 1.00 4.42 C ATOM 181 CD LYS A 12 4.843 -3.644 -9.294 1.00 24.21 C ATOM 182 CE LYS A 12 5.284 -2.801 -8.107 1.00 63.21 C ATOM 183 NZ LYS A 12 6.509 -3.349 -7.462 1.00 23.51 N ATOM 0 H LYS A 12 2.439 -6.918 -9.247 1.00 4.31 H new ATOM 0 HA LYS A 12 0.968 -5.012 -10.734 1.00 22.51 H new ATOM 0 HB2 LYS A 12 2.385 -3.394 -9.550 1.00 33.23 H new ATOM 0 HB3 LYS A 12 1.797 -4.628 -8.453 1.00 33.23 H new ATOM 0 HG2 LYS A 12 3.930 -4.869 -7.786 1.00 4.42 H new ATOM 0 HG3 LYS A 12 4.212 -5.696 -9.306 1.00 4.42 H new ATOM 0 HD2 LYS A 12 5.718 -4.081 -9.776 1.00 24.21 H new ATOM 0 HD3 LYS A 12 4.356 -3.007 -10.033 1.00 24.21 H new ATOM 0 HE2 LYS A 12 5.473 -1.780 -8.437 1.00 63.21 H new ATOM 0 HE3 LYS A 12 4.478 -2.755 -7.375 1.00 63.21 H new ATOM 0 HZ1 LYS A 12 6.777 -2.746 -6.658 1.00 23.51 H new ATOM 0 HZ2 LYS A 12 6.321 -4.314 -7.124 1.00 23.51 H new ATOM 0 HZ3 LYS A 12 7.286 -3.369 -8.153 1.00 23.51 H new ATOM 197 N ASN A 13 3.963 -5.759 -11.825 1.00 12.32 N ATOM 198 CA ASN A 13 4.887 -5.589 -12.940 1.00 41.01 C ATOM 199 C ASN A 13 4.164 -5.746 -14.274 1.00 41.24 C ATOM 200 O ASN A 13 4.500 -5.084 -15.256 1.00 30.31 O ATOM 201 CB ASN A 13 6.028 -6.604 -12.843 1.00 51.11 C ATOM 202 CG ASN A 13 7.393 -5.948 -12.921 1.00 62.34 C ATOM 203 OD1 ASN A 13 8.091 -5.820 -11.916 1.00 23.35 O ATOM 204 ND2 ASN A 13 7.780 -5.529 -14.121 1.00 20.04 N ATOM 0 H ASN A 13 4.225 -6.494 -11.168 1.00 12.32 H new ATOM 0 HA ASN A 13 5.300 -4.582 -12.887 1.00 41.01 H new ATOM 0 HB2 ASN A 13 5.944 -7.152 -11.905 1.00 51.11 H new ATOM 0 HB3 ASN A 13 5.932 -7.333 -13.648 1.00 51.11 H new ATOM 0 HD21 ASN A 13 8.689 -5.080 -14.236 1.00 20.04 H new ATOM 0 HD22 ASN A 13 7.168 -5.656 -14.927 1.00 20.04 H new ATOM 211 N GLY A 14 3.168 -6.626 -14.302 1.00 62.40 N ATOM 212 CA GLY A 14 2.413 -6.854 -15.520 1.00 71.11 C ATOM 213 C GLY A 14 1.650 -5.623 -15.968 1.00 65.02 C ATOM 214 O GLY A 14 1.654 -5.279 -17.151 1.00 0.33 O ATOM 0 H GLY A 14 2.870 -7.185 -13.503 1.00 62.40 H new ATOM 0 HA2 GLY A 14 3.093 -7.164 -16.313 1.00 71.11 H new ATOM 0 HA3 GLY A 14 1.713 -7.674 -15.362 1.00 71.11 H new ATOM 218 N CYS A 15 0.994 -4.959 -15.023 1.00 60.32 N ATOM 219 CA CYS A 15 0.221 -3.760 -15.328 1.00 20.45 C ATOM 220 C CYS A 15 1.140 -2.600 -15.695 1.00 12.33 C ATOM 221 O CYS A 15 0.829 -1.805 -16.583 1.00 3.21 O ATOM 222 CB CYS A 15 -0.654 -3.376 -14.134 1.00 32.03 C ATOM 223 SG CYS A 15 -2.005 -4.533 -13.806 1.00 4.33 S ATOM 0 H CYS A 15 0.982 -5.230 -14.040 1.00 60.32 H new ATOM 0 HA CYS A 15 -0.419 -3.977 -16.183 1.00 20.45 H new ATOM 0 HB2 CYS A 15 -0.027 -3.305 -13.245 1.00 32.03 H new ATOM 0 HB3 CYS A 15 -1.073 -2.385 -14.308 1.00 32.03 H new ATOM 0 HG CYS A 15 -2.554 -4.246 -12.663 1.00 4.33 H new ATOM 229 N LEU A 16 2.271 -2.507 -15.005 1.00 3.22 N ATOM 230 CA LEU A 16 3.236 -1.442 -15.257 1.00 12.32 C ATOM 231 C LEU A 16 3.796 -1.538 -16.672 1.00 51.02 C ATOM 232 O LEU A 16 3.850 -0.546 -17.399 1.00 11.42 O ATOM 233 CB LEU A 16 4.376 -1.508 -14.239 1.00 70.12 C ATOM 234 CG LEU A 16 5.453 -0.430 -14.366 1.00 55.32 C ATOM 235 CD1 LEU A 16 4.880 0.938 -14.029 1.00 41.41 C ATOM 236 CD2 LEU A 16 6.637 -0.750 -13.467 1.00 24.41 C ATOM 0 H LEU A 16 2.543 -3.156 -14.267 1.00 3.22 H new ATOM 0 HA LEU A 16 2.721 -0.487 -15.154 1.00 12.32 H new ATOM 0 HB2 LEU A 16 3.947 -1.448 -13.239 1.00 70.12 H new ATOM 0 HB3 LEU A 16 4.855 -2.483 -14.323 1.00 70.12 H new ATOM 0 HG LEU A 16 5.802 -0.412 -15.399 1.00 55.32 H new ATOM 0 HD11 LEU A 16 5.660 1.693 -14.125 1.00 41.41 H new ATOM 0 HD12 LEU A 16 4.065 1.170 -14.714 1.00 41.41 H new ATOM 0 HD13 LEU A 16 4.504 0.933 -13.006 1.00 41.41 H new ATOM 0 HD21 LEU A 16 7.393 0.028 -13.571 1.00 24.41 H new ATOM 0 HD22 LEU A 16 6.304 -0.797 -12.430 1.00 24.41 H new ATOM 0 HD23 LEU A 16 7.063 -1.711 -13.755 1.00 24.41 H new ATOM 248 N VAL A 17 4.210 -2.740 -17.059 1.00 23.53 N ATOM 249 CA VAL A 17 4.763 -2.968 -18.389 1.00 2.35 C ATOM 250 C VAL A 17 3.685 -2.847 -19.460 1.00 4.31 C ATOM 251 O VAL A 17 3.941 -2.356 -20.560 1.00 15.12 O ATOM 252 CB VAL A 17 5.422 -4.356 -18.493 1.00 34.21 C ATOM 253 CG1 VAL A 17 4.381 -5.454 -18.336 1.00 33.10 C ATOM 254 CG2 VAL A 17 6.162 -4.497 -19.815 1.00 15.44 C ATOM 0 H VAL A 17 4.173 -3.572 -16.470 1.00 23.53 H new ATOM 0 HA VAL A 17 5.521 -2.202 -18.552 1.00 2.35 H new ATOM 0 HB VAL A 17 6.147 -4.456 -17.685 1.00 34.21 H new ATOM 0 HG11 VAL A 17 4.865 -6.428 -18.412 1.00 33.10 H new ATOM 0 HG12 VAL A 17 3.900 -5.363 -17.362 1.00 33.10 H new ATOM 0 HG13 VAL A 17 3.631 -5.359 -19.121 1.00 33.10 H new ATOM 0 HG21 VAL A 17 6.622 -5.484 -19.871 1.00 15.44 H new ATOM 0 HG22 VAL A 17 5.460 -4.376 -20.640 1.00 15.44 H new ATOM 0 HG23 VAL A 17 6.936 -3.732 -19.882 1.00 15.44 H new ATOM 264 N PHE A 18 2.479 -3.297 -19.131 1.00 40.13 N ATOM 265 CA PHE A 18 1.361 -3.240 -20.066 1.00 11.43 C ATOM 266 C PHE A 18 1.066 -1.799 -20.474 1.00 22.15 C ATOM 267 O PHE A 18 1.054 -1.468 -21.659 1.00 41.41 O ATOM 268 CB PHE A 18 0.114 -3.870 -19.442 1.00 23.15 C ATOM 269 CG PHE A 18 -1.106 -3.775 -20.313 1.00 24.24 C ATOM 270 CD1 PHE A 18 -1.047 -4.130 -21.651 1.00 0.33 C ATOM 271 CD2 PHE A 18 -2.311 -3.331 -19.793 1.00 41.23 C ATOM 272 CE1 PHE A 18 -2.168 -4.044 -22.455 1.00 42.20 C ATOM 273 CE2 PHE A 18 -3.435 -3.243 -20.593 1.00 30.24 C ATOM 274 CZ PHE A 18 -3.363 -3.599 -21.925 1.00 51.03 C ATOM 0 H PHE A 18 2.251 -3.705 -18.225 1.00 40.13 H new ATOM 0 HA PHE A 18 1.637 -3.803 -20.958 1.00 11.43 H new ATOM 0 HB2 PHE A 18 0.316 -4.919 -19.227 1.00 23.15 H new ATOM 0 HB3 PHE A 18 -0.091 -3.383 -18.489 1.00 23.15 H new ATOM 0 HD1 PHE A 18 -0.115 -4.478 -22.070 1.00 0.33 H new ATOM 0 HD2 PHE A 18 -2.373 -3.051 -18.752 1.00 41.23 H new ATOM 0 HE1 PHE A 18 -2.109 -4.324 -23.496 1.00 42.20 H new ATOM 0 HE2 PHE A 18 -4.369 -2.896 -20.176 1.00 30.24 H new ATOM 0 HZ PHE A 18 -4.240 -3.530 -22.552 1.00 51.03 H new ATOM 284 N VAL A 19 0.828 -0.946 -19.482 1.00 22.52 N ATOM 285 CA VAL A 19 0.534 0.459 -19.736 1.00 32.32 C ATOM 286 C VAL A 19 1.750 1.181 -20.304 1.00 60.14 C ATOM 287 O VAL A 19 1.623 2.043 -21.174 1.00 14.23 O ATOM 288 CB VAL A 19 0.077 1.177 -18.452 1.00 42.43 C ATOM 289 CG1 VAL A 19 1.149 1.083 -17.377 1.00 43.54 C ATOM 290 CG2 VAL A 19 -0.266 2.629 -18.749 1.00 14.42 C ATOM 0 H VAL A 19 0.833 -1.204 -18.495 1.00 22.52 H new ATOM 0 HA VAL A 19 -0.275 0.487 -20.466 1.00 32.32 H new ATOM 0 HB VAL A 19 -0.821 0.683 -18.079 1.00 42.43 H new ATOM 0 HG11 VAL A 19 0.808 1.596 -16.478 1.00 43.54 H new ATOM 0 HG12 VAL A 19 1.342 0.035 -17.146 1.00 43.54 H new ATOM 0 HG13 VAL A 19 2.066 1.550 -17.736 1.00 43.54 H new ATOM 0 HG21 VAL A 19 -0.587 3.122 -17.831 1.00 14.42 H new ATOM 0 HG22 VAL A 19 0.613 3.137 -19.145 1.00 14.42 H new ATOM 0 HG23 VAL A 19 -1.070 2.670 -19.483 1.00 14.42 H new ATOM 300 N SER A 20 2.930 0.823 -19.808 1.00 72.40 N ATOM 301 CA SER A 20 4.170 1.439 -20.264 1.00 62.12 C ATOM 302 C SER A 20 4.334 1.278 -21.772 1.00 62.44 C ATOM 303 O SER A 20 4.620 2.241 -22.483 1.00 42.33 O ATOM 304 CB SER A 20 5.368 0.821 -19.540 1.00 71.35 C ATOM 305 OG SER A 20 5.506 1.355 -18.235 1.00 64.13 O ATOM 0 H SER A 20 3.053 0.109 -19.090 1.00 72.40 H new ATOM 0 HA SER A 20 4.125 2.503 -20.033 1.00 62.12 H new ATOM 0 HB2 SER A 20 5.244 -0.260 -19.483 1.00 71.35 H new ATOM 0 HB3 SER A 20 6.278 1.008 -20.111 1.00 71.35 H new ATOM 0 HG SER A 20 4.976 0.822 -17.606 1.00 64.13 H new ATOM 311 N ARG A 21 4.151 0.052 -22.254 1.00 1.45 N ATOM 312 CA ARG A 21 4.280 -0.237 -23.677 1.00 12.23 C ATOM 313 C ARG A 21 3.147 0.411 -24.468 1.00 4.53 C ATOM 314 O ARG A 21 3.353 0.900 -25.580 1.00 12.14 O ATOM 315 CB ARG A 21 4.282 -1.748 -23.914 1.00 33.14 C ATOM 316 CG ARG A 21 5.674 -2.356 -23.955 1.00 20.41 C ATOM 317 CD ARG A 21 6.237 -2.555 -22.556 1.00 72.23 C ATOM 318 NE ARG A 21 7.681 -2.344 -22.512 1.00 63.35 N ATOM 319 CZ ARG A 21 8.247 -1.145 -22.439 1.00 51.43 C ATOM 320 NH1 ARG A 21 7.494 -0.054 -22.402 1.00 33.15 N ATOM 321 NH2 ARG A 21 9.569 -1.034 -22.403 1.00 73.12 N ATOM 0 H ARG A 21 3.913 -0.756 -21.679 1.00 1.45 H new ATOM 0 HA ARG A 21 5.226 0.179 -24.023 1.00 12.23 H new ATOM 0 HB2 ARG A 21 3.707 -2.232 -23.125 1.00 33.14 H new ATOM 0 HB3 ARG A 21 3.774 -1.960 -24.855 1.00 33.14 H new ATOM 0 HG2 ARG A 21 5.639 -3.314 -24.474 1.00 20.41 H new ATOM 0 HG3 ARG A 21 6.338 -1.708 -24.527 1.00 20.41 H new ATOM 0 HD2 ARG A 21 5.749 -1.865 -21.867 1.00 72.23 H new ATOM 0 HD3 ARG A 21 6.007 -3.564 -22.213 1.00 72.23 H new ATOM 0 HE ARG A 21 8.289 -3.163 -22.539 1.00 63.35 H new ATOM 0 HH11 ARG A 21 6.478 -0.135 -22.430 1.00 33.15 H new ATOM 0 HH12 ARG A 21 7.931 0.866 -22.346 1.00 33.15 H new ATOM 0 HH21 ARG A 21 10.152 -1.870 -22.431 1.00 73.12 H new ATOM 0 HH22 ARG A 21 10.002 -0.112 -22.347 1.00 73.12 H new ATOM 335 N LEU A 22 1.952 0.412 -23.888 1.00 23.24 N ATOM 336 CA LEU A 22 0.786 0.999 -24.538 1.00 43.51 C ATOM 337 C LEU A 22 1.019 2.476 -24.842 1.00 15.25 C ATOM 338 O LEU A 22 0.624 2.972 -25.897 1.00 1.53 O ATOM 339 CB LEU A 22 -0.451 0.837 -23.654 1.00 14.31 C ATOM 340 CG LEU A 22 -1.044 -0.570 -23.580 1.00 61.53 C ATOM 341 CD1 LEU A 22 -1.836 -0.750 -22.294 1.00 42.34 C ATOM 342 CD2 LEU A 22 -1.923 -0.843 -24.792 1.00 64.34 C ATOM 0 H LEU A 22 1.765 0.013 -22.968 1.00 23.24 H new ATOM 0 HA LEU A 22 0.622 0.474 -25.479 1.00 43.51 H new ATOM 0 HB2 LEU A 22 -0.195 1.155 -22.643 1.00 14.31 H new ATOM 0 HB3 LEU A 22 -1.223 1.516 -24.016 1.00 14.31 H new ATOM 0 HG LEU A 22 -0.224 -1.289 -23.581 1.00 61.53 H new ATOM 0 HD11 LEU A 22 -2.250 -1.758 -22.260 1.00 42.34 H new ATOM 0 HD12 LEU A 22 -1.179 -0.599 -21.438 1.00 42.34 H new ATOM 0 HD13 LEU A 22 -2.647 -0.023 -22.262 1.00 42.34 H new ATOM 0 HD21 LEU A 22 -2.337 -1.849 -24.722 1.00 64.34 H new ATOM 0 HD22 LEU A 22 -2.736 -0.118 -24.823 1.00 64.34 H new ATOM 0 HD23 LEU A 22 -1.327 -0.758 -25.700 1.00 64.34 H new ATOM 354 N TRP A 23 1.662 3.172 -23.911 1.00 63.51 N ATOM 355 CA TRP A 23 1.949 4.592 -24.080 1.00 62.53 C ATOM 356 C TRP A 23 2.922 4.817 -25.232 1.00 63.22 C ATOM 357 O TRP A 23 2.806 5.793 -25.973 1.00 51.03 O ATOM 358 CB TRP A 23 2.525 5.174 -22.788 1.00 62.15 C ATOM 359 CG TRP A 23 1.493 5.393 -21.724 1.00 42.50 C ATOM 360 CD1 TRP A 23 0.157 5.608 -21.909 1.00 43.35 C ATOM 361 CD2 TRP A 23 1.714 5.422 -20.310 1.00 35.54 C ATOM 362 NE1 TRP A 23 -0.466 5.768 -20.695 1.00 51.24 N ATOM 363 CE2 TRP A 23 0.466 5.657 -19.698 1.00 45.23 C ATOM 364 CE3 TRP A 23 2.842 5.268 -19.500 1.00 2.50 C ATOM 365 CZ2 TRP A 23 0.320 5.744 -18.317 1.00 12.15 C ATOM 366 CZ3 TRP A 23 2.695 5.355 -18.129 1.00 10.43 C ATOM 367 CH2 TRP A 23 1.442 5.591 -17.548 1.00 34.50 C ATOM 0 H TRP A 23 1.994 2.776 -23.032 1.00 63.51 H new ATOM 0 HA TRP A 23 1.014 5.101 -24.314 1.00 62.53 H new ATOM 0 HB2 TRP A 23 3.293 4.502 -22.406 1.00 62.15 H new ATOM 0 HB3 TRP A 23 3.013 6.123 -23.011 1.00 62.15 H new ATOM 0 HD1 TRP A 23 -0.337 5.647 -22.869 1.00 43.35 H new ATOM 0 HE1 TRP A 23 -1.462 5.941 -20.558 1.00 51.24 H new ATOM 0 HE3 TRP A 23 3.812 5.084 -19.938 1.00 2.50 H new ATOM 0 HZ2 TRP A 23 -0.645 5.926 -17.867 1.00 12.15 H new ATOM 0 HZ3 TRP A 23 3.561 5.239 -17.494 1.00 10.43 H new ATOM 0 HH2 TRP A 23 1.360 5.653 -16.473 1.00 34.50 H new ATOM 378 N ASP A 24 3.881 3.909 -25.377 1.00 72.33 N ATOM 379 CA ASP A 24 4.874 4.008 -26.441 1.00 13.22 C ATOM 380 C ASP A 24 4.228 3.802 -27.808 1.00 4.43 C ATOM 381 O ASP A 24 4.335 4.654 -28.691 1.00 42.12 O ATOM 382 CB ASP A 24 5.985 2.979 -26.228 1.00 3.52 C ATOM 383 CG ASP A 24 7.321 3.626 -25.916 1.00 14.21 C ATOM 384 OD1 ASP A 24 7.678 4.608 -26.600 1.00 32.04 O ATOM 385 OD2 ASP A 24 8.009 3.150 -24.989 1.00 32.12 O ATOM 0 H ASP A 24 3.992 3.096 -24.771 1.00 72.33 H new ATOM 0 HA ASP A 24 5.305 5.009 -26.410 1.00 13.22 H new ATOM 0 HB2 ASP A 24 5.708 2.313 -25.411 1.00 3.52 H new ATOM 0 HB3 ASP A 24 6.083 2.363 -27.122 1.00 3.52 H new ATOM 390 N LEU A 25 3.560 2.667 -27.975 1.00 73.15 N ATOM 391 CA LEU A 25 2.897 2.348 -29.236 1.00 4.04 C ATOM 392 C LEU A 25 1.872 3.418 -29.598 1.00 21.32 C ATOM 393 O LEU A 25 1.706 3.762 -30.768 1.00 63.21 O ATOM 394 CB LEU A 25 2.216 0.982 -29.145 1.00 34.23 C ATOM 395 CG LEU A 25 1.139 0.698 -30.193 1.00 31.23 C ATOM 396 CD1 LEU A 25 1.751 0.633 -31.583 1.00 43.32 C ATOM 397 CD2 LEU A 25 0.408 -0.597 -29.869 1.00 60.11 C ATOM 0 H LEU A 25 3.462 1.952 -27.254 1.00 73.15 H new ATOM 0 HA LEU A 25 3.654 2.318 -30.019 1.00 4.04 H new ATOM 0 HB2 LEU A 25 2.982 0.211 -29.222 1.00 34.23 H new ATOM 0 HB3 LEU A 25 1.767 0.887 -28.156 1.00 34.23 H new ATOM 0 HG LEU A 25 0.417 1.514 -30.174 1.00 31.23 H new ATOM 0 HD11 LEU A 25 0.970 0.430 -32.315 1.00 43.32 H new ATOM 0 HD12 LEU A 25 2.228 1.585 -31.815 1.00 43.32 H new ATOM 0 HD13 LEU A 25 2.495 -0.163 -31.616 1.00 43.32 H new ATOM 0 HD21 LEU A 25 -0.355 -0.783 -30.625 1.00 60.11 H new ATOM 0 HD22 LEU A 25 1.119 -1.423 -29.859 1.00 60.11 H new ATOM 0 HD23 LEU A 25 -0.064 -0.513 -28.890 1.00 60.11 H new ATOM 409 N ASP A 26 1.188 3.941 -28.586 1.00 64.11 N ATOM 410 CA ASP A 26 0.181 4.974 -28.797 1.00 43.32 C ATOM 411 C ASP A 26 0.837 6.315 -29.113 1.00 54.23 C ATOM 412 O ASP A 26 1.201 7.069 -28.210 1.00 75.03 O ATOM 413 CB ASP A 26 -0.711 5.107 -27.562 1.00 3.11 C ATOM 414 CG ASP A 26 -1.729 6.221 -27.700 1.00 53.44 C ATOM 415 OD1 ASP A 26 -2.229 6.432 -28.825 1.00 53.34 O ATOM 416 OD2 ASP A 26 -2.027 6.882 -26.684 1.00 12.03 O ATOM 0 H ASP A 26 1.313 3.666 -27.612 1.00 64.11 H new ATOM 0 HA ASP A 26 -0.433 4.680 -29.648 1.00 43.32 H new ATOM 0 HB2 ASP A 26 -1.230 4.164 -27.389 1.00 3.11 H new ATOM 0 HB3 ASP A 26 -0.089 5.294 -26.687 1.00 3.11 H new ATOM 421 N LYS A 27 0.985 6.606 -30.401 1.00 42.31 N ATOM 422 CA LYS A 27 1.596 7.856 -30.838 1.00 24.10 C ATOM 423 C LYS A 27 0.744 9.052 -30.426 1.00 73.23 C ATOM 424 O LYS A 27 1.261 10.144 -30.190 1.00 3.24 O ATOM 425 CB LYS A 27 1.787 7.851 -32.356 1.00 62.24 C ATOM 426 CG LYS A 27 2.803 8.869 -32.845 1.00 61.42 C ATOM 427 CD LYS A 27 4.171 8.239 -33.047 1.00 21.43 C ATOM 428 CE LYS A 27 5.235 9.291 -33.318 1.00 50.21 C ATOM 429 NZ LYS A 27 6.195 8.851 -34.368 1.00 2.41 N ATOM 0 H LYS A 27 0.690 5.993 -31.161 1.00 42.31 H new ATOM 0 HA LYS A 27 2.570 7.943 -30.356 1.00 24.10 H new ATOM 0 HB2 LYS A 27 2.102 6.856 -32.671 1.00 62.24 H new ATOM 0 HB3 LYS A 27 0.828 8.048 -32.835 1.00 62.24 H new ATOM 0 HG2 LYS A 27 2.460 9.305 -33.783 1.00 61.42 H new ATOM 0 HG3 LYS A 27 2.879 9.683 -32.124 1.00 61.42 H new ATOM 0 HD2 LYS A 27 4.443 7.665 -32.161 1.00 21.43 H new ATOM 0 HD3 LYS A 27 4.130 7.538 -33.881 1.00 21.43 H new ATOM 0 HE2 LYS A 27 4.757 10.220 -33.629 1.00 50.21 H new ATOM 0 HE3 LYS A 27 5.777 9.505 -32.397 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 6.904 9.595 -34.524 1.00 2.41 H new ATOM 0 HZ2 LYS A 27 6.670 7.979 -34.060 1.00 2.41 H new ATOM 0 HZ3 LYS A 27 5.682 8.671 -35.254 1.00 2.41 H new ATOM 443 N LEU A 28 -0.565 8.838 -30.341 1.00 44.32 N ATOM 444 CA LEU A 28 -1.489 9.899 -29.956 1.00 75.21 C ATOM 445 C LEU A 28 -1.200 10.386 -28.540 1.00 33.43 C ATOM 446 O LEU A 28 -1.416 11.553 -28.217 1.00 51.15 O ATOM 447 CB LEU A 28 -2.933 9.403 -30.052 1.00 54.14 C ATOM 448 CG LEU A 28 -4.010 10.372 -29.562 1.00 22.14 C ATOM 449 CD1 LEU A 28 -4.592 11.158 -30.726 1.00 70.53 C ATOM 450 CD2 LEU A 28 -5.107 9.620 -28.822 1.00 4.24 C ATOM 0 H LEU A 28 -1.010 7.940 -30.533 1.00 44.32 H new ATOM 0 HA LEU A 28 -1.351 10.734 -30.643 1.00 75.21 H new ATOM 0 HB2 LEU A 28 -3.142 9.155 -31.093 1.00 54.14 H new ATOM 0 HB3 LEU A 28 -3.017 8.479 -29.481 1.00 54.14 H new ATOM 0 HG LEU A 28 -3.549 11.077 -28.870 1.00 22.14 H new ATOM 0 HD11 LEU A 28 -5.356 11.842 -30.357 1.00 70.53 H new ATOM 0 HD12 LEU A 28 -3.800 11.727 -31.213 1.00 70.53 H new ATOM 0 HD13 LEU A 28 -5.037 10.469 -31.444 1.00 70.53 H new ATOM 0 HD21 LEU A 28 -5.865 10.325 -28.480 1.00 4.24 H new ATOM 0 HD22 LEU A 28 -5.564 8.892 -29.492 1.00 4.24 H new ATOM 0 HD23 LEU A 28 -4.678 9.104 -27.963 1.00 4.24 H new ATOM 462 N GLY A 29 -0.708 9.482 -27.698 1.00 33.15 N ATOM 463 CA GLY A 29 -0.395 9.839 -26.326 1.00 73.11 C ATOM 464 C GLY A 29 -1.637 10.000 -25.471 1.00 63.52 C ATOM 465 O GLY A 29 -1.559 10.463 -24.334 1.00 31.43 O ATOM 0 H GLY A 29 -0.521 8.509 -27.941 1.00 33.15 H new ATOM 0 HA2 GLY A 29 0.245 9.071 -25.891 1.00 73.11 H new ATOM 0 HA3 GLY A 29 0.172 10.770 -26.316 1.00 73.11 H new ATOM 469 N MET A 30 -2.785 9.617 -26.020 1.00 50.54 N ATOM 470 CA MET A 30 -4.048 9.722 -25.300 1.00 15.33 C ATOM 471 C MET A 30 -5.073 8.737 -25.852 1.00 70.45 C ATOM 472 O MET A 30 -6.233 9.088 -26.070 1.00 2.12 O ATOM 473 CB MET A 30 -4.595 11.148 -25.390 1.00 50.31 C ATOM 474 CG MET A 30 -3.940 12.113 -24.415 1.00 12.12 C ATOM 475 SD MET A 30 -4.969 13.552 -24.065 1.00 31.23 S ATOM 476 CE MET A 30 -4.587 14.592 -25.472 1.00 21.10 C ATOM 0 H MET A 30 -2.866 9.231 -26.961 1.00 50.54 H new ATOM 0 HA MET A 30 -3.861 9.477 -24.254 1.00 15.33 H new ATOM 0 HB2 MET A 30 -4.454 11.519 -26.405 1.00 50.31 H new ATOM 0 HB3 MET A 30 -5.669 11.129 -25.204 1.00 50.31 H new ATOM 0 HG2 MET A 30 -3.723 11.591 -23.483 1.00 12.12 H new ATOM 0 HG3 MET A 30 -2.986 12.444 -24.824 1.00 12.12 H new ATOM 0 HE1 MET A 30 -5.149 15.523 -25.399 1.00 21.10 H new ATOM 0 HE2 MET A 30 -3.519 14.812 -25.483 1.00 21.10 H new ATOM 0 HE3 MET A 30 -4.860 14.075 -26.392 1.00 21.10 H new ATOM 486 N PHE A 31 -4.637 7.502 -26.078 1.00 74.43 N ATOM 487 CA PHE A 31 -5.517 6.466 -26.607 1.00 62.52 C ATOM 488 C PHE A 31 -5.837 5.426 -25.537 1.00 73.12 C ATOM 489 O PHE A 31 -4.943 4.757 -25.018 1.00 12.23 O ATOM 490 CB PHE A 31 -4.870 5.787 -27.817 1.00 35.35 C ATOM 491 CG PHE A 31 -5.806 4.884 -28.568 1.00 72.14 C ATOM 492 CD1 PHE A 31 -6.625 5.389 -29.566 1.00 30.53 C ATOM 493 CD2 PHE A 31 -5.867 3.531 -28.277 1.00 75.43 C ATOM 494 CE1 PHE A 31 -7.487 4.560 -30.260 1.00 11.43 C ATOM 495 CE2 PHE A 31 -6.727 2.698 -28.968 1.00 71.42 C ATOM 496 CZ PHE A 31 -7.539 3.213 -29.960 1.00 2.43 C ATOM 0 H PHE A 31 -3.680 7.194 -25.903 1.00 74.43 H new ATOM 0 HA PHE A 31 -6.448 6.939 -26.919 1.00 62.52 H new ATOM 0 HB2 PHE A 31 -4.494 6.553 -28.495 1.00 35.35 H new ATOM 0 HB3 PHE A 31 -4.010 5.208 -27.482 1.00 35.35 H new ATOM 0 HD1 PHE A 31 -6.589 6.442 -29.804 1.00 30.53 H new ATOM 0 HD2 PHE A 31 -5.236 3.122 -27.502 1.00 75.43 H new ATOM 0 HE1 PHE A 31 -8.119 4.966 -31.036 1.00 11.43 H new ATOM 0 HE2 PHE A 31 -6.764 1.645 -28.732 1.00 71.42 H new ATOM 0 HZ PHE A 31 -8.213 2.564 -30.499 1.00 2.43 H new ATOM 506 N HIS A 32 -7.120 5.296 -25.212 1.00 63.11 N ATOM 507 CA HIS A 32 -7.559 4.338 -24.204 1.00 34.10 C ATOM 508 C HIS A 32 -9.081 4.328 -24.091 1.00 1.43 C ATOM 509 O HIS A 32 -9.640 4.731 -23.070 1.00 73.01 O ATOM 510 CB HIS A 32 -6.937 4.671 -22.848 1.00 15.34 C ATOM 511 CG HIS A 32 -6.906 6.138 -22.547 1.00 41.35 C ATOM 512 ND1 HIS A 32 -7.997 6.965 -22.716 1.00 21.43 N ATOM 513 CD2 HIS A 32 -5.907 6.926 -22.086 1.00 2.13 C ATOM 514 CE1 HIS A 32 -7.670 8.197 -22.372 1.00 42.51 C ATOM 515 NE2 HIS A 32 -6.407 8.201 -21.986 1.00 2.15 N ATOM 0 H HIS A 32 -7.873 5.842 -25.632 1.00 63.11 H new ATOM 0 HA HIS A 32 -7.229 3.346 -24.512 1.00 34.10 H new ATOM 0 HB2 HIS A 32 -7.497 4.160 -22.065 1.00 15.34 H new ATOM 0 HB3 HIS A 32 -5.920 4.281 -22.819 1.00 15.34 H new ATOM 0 HD1 HIS A 32 -8.913 6.671 -23.054 1.00 21.43 H new ATOM 0 HD2 HIS A 32 -4.903 6.611 -21.842 1.00 2.13 H new ATOM 0 HE1 HIS A 32 -8.324 9.056 -22.401 1.00 42.51 H new ATOM 523 N HIS A 33 -9.745 3.867 -25.146 1.00 13.04 N ATOM 524 CA HIS A 33 -11.202 3.805 -25.164 1.00 55.53 C ATOM 525 C HIS A 33 -11.688 2.707 -26.105 1.00 62.13 C ATOM 526 O HIS A 33 -10.988 2.294 -27.030 1.00 25.21 O ATOM 527 CB HIS A 33 -11.785 5.153 -25.591 1.00 74.01 C ATOM 528 CG HIS A 33 -11.090 5.760 -26.771 1.00 31.23 C ATOM 529 ND1 HIS A 33 -11.402 5.439 -28.075 1.00 41.11 N ATOM 530 CD2 HIS A 33 -10.094 6.674 -26.837 1.00 54.24 C ATOM 531 CE1 HIS A 33 -10.627 6.129 -28.893 1.00 21.40 C ATOM 532 NE2 HIS A 33 -9.825 6.886 -28.167 1.00 44.21 N ATOM 0 H HIS A 33 -9.298 3.531 -25.999 1.00 13.04 H new ATOM 0 HA HIS A 33 -11.544 3.572 -24.155 1.00 55.53 H new ATOM 0 HB2 HIS A 33 -12.841 5.024 -25.829 1.00 74.01 H new ATOM 0 HB3 HIS A 33 -11.730 5.846 -24.751 1.00 74.01 H new ATOM 0 HD2 HIS A 33 -9.603 7.148 -26.000 1.00 54.24 H new ATOM 0 HE1 HIS A 33 -10.646 6.082 -29.972 1.00 21.40 H new ATOM 0 HE2 HIS A 33 -9.120 7.525 -28.534 1.00 44.21 H new ATOM 540 N PRO A 34 -12.915 2.221 -25.866 1.00 23.14 N ATOM 541 CA PRO A 34 -13.521 1.164 -26.681 1.00 24.24 C ATOM 542 C PRO A 34 -13.879 1.646 -28.082 1.00 63.23 C ATOM 543 O PRO A 34 -14.216 2.813 -28.281 1.00 43.01 O ATOM 544 CB PRO A 34 -14.786 0.797 -25.902 1.00 33.13 C ATOM 545 CG PRO A 34 -15.120 2.022 -25.123 1.00 32.03 C ATOM 546 CD PRO A 34 -13.805 2.666 -24.781 1.00 13.52 C ATOM 0 HA PRO A 34 -12.840 0.327 -26.834 1.00 24.24 H new ATOM 0 HB2 PRO A 34 -15.599 0.521 -26.574 1.00 33.13 H new ATOM 0 HB3 PRO A 34 -14.613 -0.055 -25.245 1.00 33.13 H new ATOM 0 HG2 PRO A 34 -15.745 2.697 -25.707 1.00 32.03 H new ATOM 0 HG3 PRO A 34 -15.678 1.771 -24.221 1.00 32.03 H new ATOM 0 HD2 PRO A 34 -13.886 3.752 -24.748 1.00 13.52 H new ATOM 0 HD3 PRO A 34 -13.441 2.344 -23.805 1.00 13.52 H new ATOM 554 N VAL A 35 -13.804 0.740 -29.052 1.00 21.41 N ATOM 555 CA VAL A 35 -14.122 1.072 -30.435 1.00 43.24 C ATOM 556 C VAL A 35 -15.620 1.289 -30.618 1.00 63.12 C ATOM 557 O VAL A 35 -16.436 0.620 -29.984 1.00 40.42 O ATOM 558 CB VAL A 35 -13.652 -0.033 -31.400 1.00 54.24 C ATOM 559 CG1 VAL A 35 -12.166 -0.300 -31.223 1.00 64.53 C ATOM 560 CG2 VAL A 35 -14.460 -1.304 -31.188 1.00 15.14 C ATOM 0 H VAL A 35 -13.526 -0.230 -28.905 1.00 21.41 H new ATOM 0 HA VAL A 35 -13.593 1.996 -30.668 1.00 43.24 H new ATOM 0 HB VAL A 35 -13.816 0.308 -32.422 1.00 54.24 H new ATOM 0 HG11 VAL A 35 -11.852 -1.083 -31.913 1.00 64.53 H new ATOM 0 HG12 VAL A 35 -11.605 0.612 -31.430 1.00 64.53 H new ATOM 0 HG13 VAL A 35 -11.973 -0.620 -30.199 1.00 64.53 H new ATOM 0 HG21 VAL A 35 -14.115 -2.074 -31.878 1.00 15.14 H new ATOM 0 HG22 VAL A 35 -14.330 -1.651 -30.163 1.00 15.14 H new ATOM 0 HG23 VAL A 35 -15.515 -1.099 -31.371 1.00 15.14 H new ATOM 570 N SER A 36 -15.974 2.228 -31.490 1.00 32.40 N ATOM 571 CA SER A 36 -17.375 2.535 -31.755 1.00 2.35 C ATOM 572 C SER A 36 -17.989 1.504 -32.696 1.00 71.10 C ATOM 573 O SER A 36 -17.355 1.069 -33.657 1.00 52.41 O ATOM 574 CB SER A 36 -17.506 3.935 -32.358 1.00 12.24 C ATOM 575 OG SER A 36 -16.870 4.904 -31.542 1.00 64.41 O ATOM 0 H SER A 36 -15.311 2.789 -32.025 1.00 32.40 H new ATOM 0 HA SER A 36 -17.914 2.502 -30.808 1.00 2.35 H new ATOM 0 HB2 SER A 36 -17.064 3.948 -33.354 1.00 12.24 H new ATOM 0 HB3 SER A 36 -18.560 4.187 -32.473 1.00 12.24 H new ATOM 0 HG SER A 36 -16.967 5.790 -31.950 1.00 64.41 H new ATOM 581 N ALA A 37 -19.228 1.117 -32.412 1.00 32.53 N ATOM 582 CA ALA A 37 -19.930 0.138 -33.233 1.00 51.10 C ATOM 583 C ALA A 37 -20.188 0.682 -34.634 1.00 74.42 C ATOM 584 O ALA A 37 -20.185 -0.068 -35.610 1.00 52.42 O ATOM 585 CB ALA A 37 -21.240 -0.264 -32.571 1.00 62.22 C ATOM 0 H ALA A 37 -19.767 1.467 -31.619 1.00 32.53 H new ATOM 0 HA ALA A 37 -19.297 -0.744 -33.325 1.00 51.10 H new ATOM 0 HB1 ALA A 37 -21.754 -0.995 -33.195 1.00 62.22 H new ATOM 0 HB2 ALA A 37 -21.035 -0.701 -31.594 1.00 62.22 H new ATOM 0 HB3 ALA A 37 -21.871 0.616 -32.449 1.00 62.22 H new ATOM 591 N GLU A 38 -20.412 1.989 -34.725 1.00 34.11 N ATOM 592 CA GLU A 38 -20.674 2.631 -36.008 1.00 10.24 C ATOM 593 C GLU A 38 -19.604 2.260 -37.030 1.00 41.02 C ATOM 594 O GLU A 38 -19.901 2.049 -38.205 1.00 52.15 O ATOM 595 CB GLU A 38 -20.730 4.151 -35.840 1.00 44.11 C ATOM 596 CG GLU A 38 -19.442 4.752 -35.303 1.00 25.21 C ATOM 597 CD GLU A 38 -19.687 5.933 -34.384 1.00 34.53 C ATOM 598 OE1 GLU A 38 -20.271 5.729 -33.299 1.00 4.14 O ATOM 599 OE2 GLU A 38 -19.296 7.060 -34.750 1.00 42.43 O ATOM 0 H GLU A 38 -20.417 2.624 -33.926 1.00 34.11 H new ATOM 0 HA GLU A 38 -21.638 2.277 -36.373 1.00 10.24 H new ATOM 0 HB2 GLU A 38 -20.959 4.606 -36.803 1.00 44.11 H new ATOM 0 HB3 GLU A 38 -21.548 4.404 -35.165 1.00 44.11 H new ATOM 0 HG2 GLU A 38 -18.886 3.986 -34.763 1.00 25.21 H new ATOM 0 HG3 GLU A 38 -18.818 5.070 -36.138 1.00 25.21 H new ATOM 606 N GLU A 39 -18.358 2.183 -36.573 1.00 0.10 N ATOM 607 CA GLU A 39 -17.244 1.839 -37.448 1.00 44.03 C ATOM 608 C GLU A 39 -16.993 0.334 -37.444 1.00 23.25 C ATOM 609 O GLU A 39 -16.598 -0.245 -38.457 1.00 5.53 O ATOM 610 CB GLU A 39 -15.977 2.580 -37.014 1.00 32.44 C ATOM 611 CG GLU A 39 -14.998 2.829 -38.148 1.00 71.15 C ATOM 612 CD GLU A 39 -13.854 3.737 -37.743 1.00 25.14 C ATOM 613 OE1 GLU A 39 -14.083 4.958 -37.612 1.00 71.33 O ATOM 614 OE2 GLU A 39 -12.729 3.228 -37.556 1.00 21.54 O ATOM 0 H GLU A 39 -18.095 2.354 -35.602 1.00 0.10 H new ATOM 0 HA GLU A 39 -17.505 2.143 -38.462 1.00 44.03 H new ATOM 0 HB2 GLU A 39 -16.259 3.536 -36.572 1.00 32.44 H new ATOM 0 HB3 GLU A 39 -15.478 2.004 -36.235 1.00 32.44 H new ATOM 0 HG2 GLU A 39 -14.596 1.876 -38.492 1.00 71.15 H new ATOM 0 HG3 GLU A 39 -15.529 3.273 -38.990 1.00 71.15 H new ATOM 621 N LEU A 40 -17.224 -0.295 -36.296 1.00 54.24 N ATOM 622 CA LEU A 40 -17.023 -1.733 -36.158 1.00 35.10 C ATOM 623 C LEU A 40 -18.299 -2.417 -35.677 1.00 70.30 C ATOM 624 O LEU A 40 -18.449 -2.749 -34.501 1.00 15.52 O ATOM 625 CB LEU A 40 -15.880 -2.017 -35.182 1.00 50.42 C ATOM 626 CG LEU A 40 -14.466 -1.880 -35.747 1.00 42.14 C ATOM 627 CD1 LEU A 40 -14.270 -2.818 -36.928 1.00 41.02 C ATOM 628 CD2 LEU A 40 -14.192 -0.440 -36.157 1.00 0.03 C ATOM 0 H LEU A 40 -17.550 0.168 -35.448 1.00 54.24 H new ATOM 0 HA LEU A 40 -16.764 -2.134 -37.138 1.00 35.10 H new ATOM 0 HB2 LEU A 40 -15.978 -1.341 -34.333 1.00 50.42 H new ATOM 0 HB3 LEU A 40 -16.000 -3.030 -34.798 1.00 50.42 H new ATOM 0 HG LEU A 40 -13.756 -2.156 -34.967 1.00 42.14 H new ATOM 0 HD11 LEU A 40 -13.258 -2.707 -37.317 1.00 41.02 H new ATOM 0 HD12 LEU A 40 -14.423 -3.848 -36.604 1.00 41.02 H new ATOM 0 HD13 LEU A 40 -14.988 -2.573 -37.710 1.00 41.02 H new ATOM 0 HD21 LEU A 40 -13.181 -0.362 -36.557 1.00 0.03 H new ATOM 0 HD22 LEU A 40 -14.909 -0.136 -36.920 1.00 0.03 H new ATOM 0 HD23 LEU A 40 -14.290 0.211 -35.288 1.00 0.03 H new ATOM 640 N PRO A 41 -19.240 -2.637 -36.607 1.00 40.14 N ATOM 641 CA PRO A 41 -20.518 -3.286 -36.303 1.00 33.45 C ATOM 642 C PRO A 41 -20.353 -4.767 -35.979 1.00 74.41 C ATOM 643 O PRO A 41 -21.234 -5.383 -35.378 1.00 71.13 O ATOM 644 CB PRO A 41 -21.324 -3.107 -37.592 1.00 24.12 C ATOM 645 CG PRO A 41 -20.298 -2.969 -38.663 1.00 43.12 C ATOM 646 CD PRO A 41 -19.128 -2.268 -38.029 1.00 31.43 C ATOM 0 HA PRO A 41 -20.995 -2.854 -35.423 1.00 33.45 H new ATOM 0 HB2 PRO A 41 -21.974 -3.962 -37.774 1.00 24.12 H new ATOM 0 HB3 PRO A 41 -21.963 -2.226 -37.540 1.00 24.12 H new ATOM 0 HG2 PRO A 41 -20.005 -3.945 -39.050 1.00 43.12 H new ATOM 0 HG3 PRO A 41 -20.687 -2.396 -39.504 1.00 43.12 H new ATOM 0 HD2 PRO A 41 -18.181 -2.598 -38.457 1.00 31.43 H new ATOM 0 HD3 PRO A 41 -19.182 -1.188 -38.170 1.00 31.43 H new ATOM 654 N ASP A 42 -19.221 -5.333 -36.381 1.00 25.24 N ATOM 655 CA ASP A 42 -18.940 -6.742 -36.132 1.00 24.41 C ATOM 656 C ASP A 42 -17.866 -6.902 -35.060 1.00 44.52 C ATOM 657 O ASP A 42 -17.240 -7.956 -34.945 1.00 54.03 O ATOM 658 CB ASP A 42 -18.495 -7.432 -37.423 1.00 54.40 C ATOM 659 CG ASP A 42 -17.076 -7.069 -37.814 1.00 31.32 C ATOM 660 OD1 ASP A 42 -16.655 -5.929 -37.529 1.00 5.43 O ATOM 661 OD2 ASP A 42 -16.386 -7.927 -38.404 1.00 55.30 O ATOM 0 H ASP A 42 -18.483 -4.838 -36.881 1.00 25.24 H new ATOM 0 HA ASP A 42 -19.857 -7.211 -35.775 1.00 24.41 H new ATOM 0 HB2 ASP A 42 -18.569 -8.512 -37.298 1.00 54.40 H new ATOM 0 HB3 ASP A 42 -19.173 -7.157 -38.231 1.00 54.40 H new ATOM 666 N TYR A 43 -17.656 -5.848 -34.279 1.00 52.10 N ATOM 667 CA TYR A 43 -16.655 -5.869 -33.219 1.00 33.20 C ATOM 668 C TYR A 43 -16.882 -7.050 -32.279 1.00 41.35 C ATOM 669 O TYR A 43 -15.934 -7.613 -31.731 1.00 61.14 O ATOM 670 CB TYR A 43 -16.691 -4.560 -32.429 1.00 21.03 C ATOM 671 CG TYR A 43 -17.864 -4.457 -31.480 1.00 40.14 C ATOM 672 CD1 TYR A 43 -19.160 -4.318 -31.961 1.00 15.12 C ATOM 673 CD2 TYR A 43 -17.676 -4.497 -30.104 1.00 72.34 C ATOM 674 CE1 TYR A 43 -20.235 -4.223 -31.098 1.00 54.42 C ATOM 675 CE2 TYR A 43 -18.745 -4.404 -29.235 1.00 32.24 C ATOM 676 CZ TYR A 43 -20.023 -4.267 -29.736 1.00 43.32 C ATOM 677 OH TYR A 43 -21.090 -4.172 -28.873 1.00 32.21 O ATOM 0 H TYR A 43 -18.166 -4.968 -34.360 1.00 52.10 H new ATOM 0 HA TYR A 43 -15.674 -5.979 -33.682 1.00 33.20 H new ATOM 0 HB2 TYR A 43 -15.766 -4.463 -31.861 1.00 21.03 H new ATOM 0 HB3 TYR A 43 -16.726 -3.724 -33.128 1.00 21.03 H new ATOM 0 HD1 TYR A 43 -19.330 -4.284 -33.027 1.00 15.12 H new ATOM 0 HD2 TYR A 43 -16.677 -4.603 -29.707 1.00 72.34 H new ATOM 0 HE1 TYR A 43 -21.236 -4.115 -31.488 1.00 54.42 H new ATOM 0 HE2 TYR A 43 -18.581 -4.438 -28.168 1.00 32.24 H new ATOM 0 HH TYR A 43 -20.768 -4.221 -27.949 1.00 32.21 H new ATOM 687 N HIS A 44 -18.146 -7.420 -32.099 1.00 2.54 N ATOM 688 CA HIS A 44 -18.499 -8.534 -31.226 1.00 60.15 C ATOM 689 C HIS A 44 -17.825 -9.822 -31.691 1.00 2.35 C ATOM 690 O HIS A 44 -17.308 -10.592 -30.880 1.00 72.13 O ATOM 691 CB HIS A 44 -20.016 -8.722 -31.193 1.00 61.31 C ATOM 692 CG HIS A 44 -20.560 -8.956 -29.818 1.00 33.45 C ATOM 693 ND1 HIS A 44 -20.395 -8.063 -28.781 1.00 11.34 N ATOM 694 CD2 HIS A 44 -21.272 -9.990 -29.311 1.00 73.34 C ATOM 695 CE1 HIS A 44 -20.980 -8.537 -27.696 1.00 34.54 C ATOM 696 NE2 HIS A 44 -21.521 -9.706 -27.991 1.00 42.11 N ATOM 0 H HIS A 44 -18.942 -6.965 -32.546 1.00 2.54 H new ATOM 0 HA HIS A 44 -18.147 -8.302 -30.221 1.00 60.15 H new ATOM 0 HB2 HIS A 44 -20.493 -7.839 -31.618 1.00 61.31 H new ATOM 0 HB3 HIS A 44 -20.283 -9.566 -31.829 1.00 61.31 H new ATOM 0 HD2 HIS A 44 -21.586 -10.874 -29.846 1.00 73.34 H new ATOM 0 HE1 HIS A 44 -21.011 -8.052 -26.732 1.00 34.54 H new ATOM 0 HE2 HIS A 44 -22.039 -10.300 -27.344 1.00 42.11 H new ATOM 704 N THR A 45 -17.834 -10.050 -33.000 1.00 61.22 N ATOM 705 CA THR A 45 -17.226 -11.245 -33.572 1.00 4.21 C ATOM 706 C THR A 45 -15.744 -11.026 -33.855 1.00 2.25 C ATOM 707 O THR A 45 -14.971 -11.980 -33.944 1.00 41.21 O ATOM 708 CB THR A 45 -17.929 -11.664 -34.877 1.00 10.04 C ATOM 709 OG1 THR A 45 -17.371 -12.890 -35.362 1.00 43.01 O ATOM 710 CG2 THR A 45 -17.791 -10.583 -35.938 1.00 5.45 C ATOM 0 H THR A 45 -18.256 -9.423 -33.685 1.00 61.22 H new ATOM 0 HA THR A 45 -17.339 -12.040 -32.835 1.00 4.21 H new ATOM 0 HB THR A 45 -18.988 -11.807 -34.663 1.00 10.04 H new ATOM 0 HG1 THR A 45 -17.824 -13.150 -36.191 1.00 43.01 H new ATOM 0 HG21 THR A 45 -18.295 -10.902 -36.850 1.00 5.45 H new ATOM 0 HG22 THR A 45 -18.243 -9.659 -35.577 1.00 5.45 H new ATOM 0 HG23 THR A 45 -16.735 -10.412 -36.148 1.00 5.45 H new ATOM 718 N VAL A 46 -15.353 -9.763 -33.994 1.00 0.13 N ATOM 719 CA VAL A 46 -13.962 -9.418 -34.264 1.00 73.44 C ATOM 720 C VAL A 46 -13.109 -9.550 -33.008 1.00 0.30 C ATOM 721 O VAL A 46 -12.081 -10.228 -33.012 1.00 12.13 O ATOM 722 CB VAL A 46 -13.836 -7.984 -34.810 1.00 44.33 C ATOM 723 CG1 VAL A 46 -12.373 -7.614 -35.006 1.00 72.13 C ATOM 724 CG2 VAL A 46 -14.610 -7.839 -36.112 1.00 3.02 C ATOM 0 H VAL A 46 -15.980 -8.962 -33.924 1.00 0.13 H new ATOM 0 HA VAL A 46 -13.602 -10.118 -35.018 1.00 73.44 H new ATOM 0 HB VAL A 46 -14.266 -7.297 -34.081 1.00 44.33 H new ATOM 0 HG11 VAL A 46 -12.303 -6.597 -35.392 1.00 72.13 H new ATOM 0 HG12 VAL A 46 -11.851 -7.676 -34.051 1.00 72.13 H new ATOM 0 HG13 VAL A 46 -11.915 -8.304 -35.715 1.00 72.13 H new ATOM 0 HG21 VAL A 46 -14.510 -6.819 -36.483 1.00 3.02 H new ATOM 0 HG22 VAL A 46 -14.213 -8.535 -36.851 1.00 3.02 H new ATOM 0 HG23 VAL A 46 -15.663 -8.059 -35.936 1.00 3.02 H new ATOM 734 N ILE A 47 -13.542 -8.897 -31.935 1.00 20.14 N ATOM 735 CA ILE A 47 -12.818 -8.942 -30.670 1.00 73.41 C ATOM 736 C ILE A 47 -13.708 -9.462 -29.546 1.00 10.42 C ATOM 737 O ILE A 47 -13.249 -10.180 -28.657 1.00 75.02 O ATOM 738 CB ILE A 47 -12.277 -7.554 -30.281 1.00 63.14 C ATOM 739 CG1 ILE A 47 -13.354 -6.487 -30.484 1.00 34.11 C ATOM 740 CG2 ILE A 47 -11.036 -7.223 -31.097 1.00 4.55 C ATOM 741 CD1 ILE A 47 -12.924 -5.103 -30.050 1.00 62.43 C ATOM 0 H ILE A 47 -14.390 -8.331 -31.916 1.00 20.14 H new ATOM 0 HA ILE A 47 -11.979 -9.623 -30.811 1.00 73.41 H new ATOM 0 HB ILE A 47 -12.002 -7.570 -29.226 1.00 63.14 H new ATOM 0 HG12 ILE A 47 -13.632 -6.459 -31.538 1.00 34.11 H new ATOM 0 HG13 ILE A 47 -14.246 -6.773 -29.927 1.00 34.11 H new ATOM 0 HG21 ILE A 47 -10.665 -6.239 -30.811 1.00 4.55 H new ATOM 0 HG22 ILE A 47 -10.266 -7.971 -30.907 1.00 4.55 H new ATOM 0 HG23 ILE A 47 -11.287 -7.222 -32.158 1.00 4.55 H new ATOM 0 HD11 ILE A 47 -13.737 -4.398 -30.223 1.00 62.43 H new ATOM 0 HD12 ILE A 47 -12.674 -5.116 -28.989 1.00 62.43 H new ATOM 0 HD13 ILE A 47 -12.050 -4.797 -30.625 1.00 62.43 H new ATOM 753 N LYS A 48 -14.984 -9.095 -29.591 1.00 53.24 N ATOM 754 CA LYS A 48 -15.941 -9.525 -28.579 1.00 73.21 C ATOM 755 C LYS A 48 -15.731 -8.765 -27.273 1.00 63.43 C ATOM 756 O LYS A 48 -16.626 -8.066 -26.800 1.00 52.52 O ATOM 757 CB LYS A 48 -15.812 -11.030 -28.332 1.00 62.04 C ATOM 758 CG LYS A 48 -17.123 -11.701 -27.962 1.00 53.30 C ATOM 759 CD LYS A 48 -16.990 -13.214 -27.944 1.00 71.32 C ATOM 760 CE LYS A 48 -16.873 -13.780 -29.351 1.00 61.12 C ATOM 761 NZ LYS A 48 -18.049 -14.619 -29.711 1.00 54.04 N ATOM 0 H LYS A 48 -15.380 -8.500 -30.319 1.00 53.24 H new ATOM 0 HA LYS A 48 -16.943 -9.308 -28.948 1.00 73.21 H new ATOM 0 HB2 LYS A 48 -15.412 -11.504 -29.228 1.00 62.04 H new ATOM 0 HB3 LYS A 48 -15.090 -11.198 -27.533 1.00 62.04 H new ATOM 0 HG2 LYS A 48 -17.447 -11.352 -26.982 1.00 53.30 H new ATOM 0 HG3 LYS A 48 -17.895 -11.411 -28.675 1.00 53.30 H new ATOM 0 HD2 LYS A 48 -16.112 -13.496 -27.363 1.00 71.32 H new ATOM 0 HD3 LYS A 48 -17.856 -13.651 -27.446 1.00 71.32 H new ATOM 0 HE2 LYS A 48 -16.779 -12.962 -30.065 1.00 61.12 H new ATOM 0 HE3 LYS A 48 -15.964 -14.377 -29.428 1.00 61.12 H new ATOM 0 HZ1 LYS A 48 -17.931 -14.986 -30.677 1.00 54.04 H new ATOM 0 HZ2 LYS A 48 -18.125 -15.414 -29.045 1.00 54.04 H new ATOM 0 HZ3 LYS A 48 -18.914 -14.044 -29.663 1.00 54.04 H new ATOM 775 N ARG A 49 -14.542 -8.907 -26.697 1.00 3.03 N ATOM 776 CA ARG A 49 -14.214 -8.234 -25.446 1.00 11.51 C ATOM 777 C ARG A 49 -13.264 -7.065 -25.690 1.00 64.12 C ATOM 778 O ARG A 49 -12.045 -7.228 -25.762 1.00 74.40 O ATOM 779 CB ARG A 49 -13.584 -9.220 -24.461 1.00 12.23 C ATOM 780 CG ARG A 49 -14.437 -9.480 -23.230 1.00 13.11 C ATOM 781 CD ARG A 49 -13.832 -8.844 -21.988 1.00 70.31 C ATOM 782 NE ARG A 49 -14.646 -9.082 -20.799 1.00 71.42 N ATOM 783 CZ ARG A 49 -14.294 -8.696 -19.578 1.00 51.20 C ATOM 784 NH1 ARG A 49 -13.149 -8.056 -19.386 1.00 11.40 N ATOM 785 NH2 ARG A 49 -15.089 -8.949 -18.546 1.00 24.12 N ATOM 0 H ARG A 49 -13.790 -9.482 -27.077 1.00 3.03 H new ATOM 0 HA ARG A 49 -15.139 -7.845 -25.019 1.00 11.51 H new ATOM 0 HB2 ARG A 49 -13.402 -10.165 -24.973 1.00 12.23 H new ATOM 0 HB3 ARG A 49 -12.614 -8.836 -24.146 1.00 12.23 H new ATOM 0 HG2 ARG A 49 -15.440 -9.084 -23.391 1.00 13.11 H new ATOM 0 HG3 ARG A 49 -14.539 -10.554 -23.077 1.00 13.11 H new ATOM 0 HD2 ARG A 49 -12.831 -9.243 -21.828 1.00 70.31 H new ATOM 0 HD3 ARG A 49 -13.726 -7.771 -22.146 1.00 70.31 H new ATOM 0 HE ARG A 49 -15.534 -9.572 -20.913 1.00 71.42 H new ATOM 0 HH11 ARG A 49 -12.536 -7.859 -20.177 1.00 11.40 H new ATOM 0 HH12 ARG A 49 -12.881 -7.761 -18.447 1.00 11.40 H new ATOM 0 HH21 ARG A 49 -15.971 -9.440 -18.690 1.00 24.12 H new ATOM 0 HH22 ARG A 49 -14.818 -8.652 -17.609 1.00 24.12 H new ATOM 799 N PRO A 50 -13.832 -5.857 -25.822 1.00 22.22 N ATOM 800 CA PRO A 50 -13.054 -4.638 -26.060 1.00 64.00 C ATOM 801 C PRO A 50 -12.232 -4.227 -24.843 1.00 32.43 C ATOM 802 O PRO A 50 -12.134 -4.972 -23.868 1.00 23.54 O ATOM 803 CB PRO A 50 -14.125 -3.587 -26.362 1.00 3.13 C ATOM 804 CG PRO A 50 -15.350 -4.088 -25.679 1.00 73.33 C ATOM 805 CD PRO A 50 -15.278 -5.589 -25.747 1.00 42.34 C ATOM 0 HA PRO A 50 -12.327 -4.769 -26.862 1.00 64.00 H new ATOM 0 HB2 PRO A 50 -13.835 -2.606 -25.985 1.00 3.13 H new ATOM 0 HB3 PRO A 50 -14.285 -3.482 -27.435 1.00 3.13 H new ATOM 0 HG2 PRO A 50 -15.388 -3.746 -24.645 1.00 73.33 H new ATOM 0 HG3 PRO A 50 -16.250 -3.718 -26.170 1.00 73.33 H new ATOM 0 HD2 PRO A 50 -15.728 -6.053 -24.869 1.00 42.34 H new ATOM 0 HD3 PRO A 50 -15.805 -5.978 -26.619 1.00 42.34 H new ATOM 813 N VAL A 51 -11.644 -3.037 -24.906 1.00 21.04 N ATOM 814 CA VAL A 51 -10.832 -2.527 -23.807 1.00 50.44 C ATOM 815 C VAL A 51 -11.078 -1.038 -23.587 1.00 74.24 C ATOM 816 O VAL A 51 -11.291 -0.287 -24.539 1.00 15.41 O ATOM 817 CB VAL A 51 -9.331 -2.754 -24.066 1.00 61.51 C ATOM 818 CG1 VAL A 51 -8.910 -2.106 -25.376 1.00 10.42 C ATOM 819 CG2 VAL A 51 -8.504 -2.220 -22.907 1.00 3.13 C ATOM 0 H VAL A 51 -11.714 -2.408 -25.706 1.00 21.04 H new ATOM 0 HA VAL A 51 -11.127 -3.078 -22.914 1.00 50.44 H new ATOM 0 HB VAL A 51 -9.152 -3.826 -24.146 1.00 61.51 H new ATOM 0 HG11 VAL A 51 -7.846 -2.277 -25.541 1.00 10.42 H new ATOM 0 HG12 VAL A 51 -9.480 -2.542 -26.197 1.00 10.42 H new ATOM 0 HG13 VAL A 51 -9.102 -1.034 -25.330 1.00 10.42 H new ATOM 0 HG21 VAL A 51 -7.446 -2.389 -23.107 1.00 3.13 H new ATOM 0 HG22 VAL A 51 -8.686 -1.151 -22.792 1.00 3.13 H new ATOM 0 HG23 VAL A 51 -8.787 -2.737 -21.990 1.00 3.13 H new ATOM 829 N ASP A 52 -11.047 -0.619 -22.327 1.00 73.12 N ATOM 830 CA ASP A 52 -11.266 0.781 -21.981 1.00 63.34 C ATOM 831 C ASP A 52 -10.416 1.182 -20.780 1.00 13.44 C ATOM 832 O ASP A 52 -10.034 0.340 -19.967 1.00 31.25 O ATOM 833 CB ASP A 52 -12.745 1.029 -21.682 1.00 41.53 C ATOM 834 CG ASP A 52 -13.033 2.482 -21.357 1.00 75.13 C ATOM 835 OD1 ASP A 52 -12.392 3.364 -21.965 1.00 2.14 O ATOM 836 OD2 ASP A 52 -13.900 2.736 -20.495 1.00 15.41 O ATOM 0 H ASP A 52 -10.872 -1.229 -21.528 1.00 73.12 H new ATOM 0 HA ASP A 52 -10.969 1.392 -22.833 1.00 63.34 H new ATOM 0 HB2 ASP A 52 -13.342 0.726 -22.542 1.00 41.53 H new ATOM 0 HB3 ASP A 52 -13.053 0.404 -20.844 1.00 41.53 H new ATOM 841 N LEU A 53 -10.123 2.474 -20.674 1.00 35.20 N ATOM 842 CA LEU A 53 -9.318 2.988 -19.572 1.00 21.13 C ATOM 843 C LEU A 53 -10.032 2.793 -18.238 1.00 61.51 C ATOM 844 O LEU A 53 -9.423 2.378 -17.252 1.00 13.04 O ATOM 845 CB LEU A 53 -9.011 4.471 -19.787 1.00 14.14 C ATOM 846 CG LEU A 53 -7.677 4.968 -19.230 1.00 0.34 C ATOM 847 CD1 LEU A 53 -7.561 6.476 -19.387 1.00 55.52 C ATOM 848 CD2 LEU A 53 -7.527 4.570 -17.769 1.00 33.14 C ATOM 0 H LEU A 53 -10.431 3.184 -21.338 1.00 35.20 H new ATOM 0 HA LEU A 53 -8.382 2.429 -19.547 1.00 21.13 H new ATOM 0 HB2 LEU A 53 -9.033 4.674 -20.858 1.00 14.14 H new ATOM 0 HB3 LEU A 53 -9.811 5.056 -19.335 1.00 14.14 H new ATOM 0 HG LEU A 53 -6.872 4.501 -19.798 1.00 0.34 H new ATOM 0 HD11 LEU A 53 -6.605 6.811 -18.985 1.00 55.52 H new ATOM 0 HD12 LEU A 53 -7.622 6.738 -20.443 1.00 55.52 H new ATOM 0 HD13 LEU A 53 -8.373 6.962 -18.845 1.00 55.52 H new ATOM 0 HD21 LEU A 53 -6.572 4.932 -17.389 1.00 33.14 H new ATOM 0 HD22 LEU A 53 -8.338 5.008 -17.187 1.00 33.14 H new ATOM 0 HD23 LEU A 53 -7.564 3.484 -17.682 1.00 33.14 H new ATOM 860 N SER A 54 -11.327 3.092 -18.216 1.00 62.14 N ATOM 861 CA SER A 54 -12.124 2.951 -17.004 1.00 22.25 C ATOM 862 C SER A 54 -12.271 1.482 -16.618 1.00 73.13 C ATOM 863 O SER A 54 -12.251 1.133 -15.438 1.00 11.20 O ATOM 864 CB SER A 54 -13.505 3.580 -17.199 1.00 63.54 C ATOM 865 OG SER A 54 -14.131 3.832 -15.954 1.00 12.53 O ATOM 0 H SER A 54 -11.846 3.434 -19.025 1.00 62.14 H new ATOM 0 HA SER A 54 -11.607 3.471 -16.197 1.00 22.25 H new ATOM 0 HB2 SER A 54 -13.408 4.512 -17.756 1.00 63.54 H new ATOM 0 HB3 SER A 54 -14.130 2.915 -17.796 1.00 63.54 H new ATOM 0 HG SER A 54 -15.011 4.235 -16.106 1.00 12.53 H new ATOM 871 N SER A 55 -12.420 0.625 -17.624 1.00 2.14 N ATOM 872 CA SER A 55 -12.575 -0.806 -17.391 1.00 62.25 C ATOM 873 C SER A 55 -11.359 -1.374 -16.666 1.00 4.42 C ATOM 874 O SER A 55 -11.492 -2.069 -15.658 1.00 51.22 O ATOM 875 CB SER A 55 -12.780 -1.540 -18.718 1.00 64.21 C ATOM 876 OG SER A 55 -14.157 -1.657 -19.029 1.00 13.11 O ATOM 0 H SER A 55 -12.437 0.897 -18.607 1.00 2.14 H new ATOM 0 HA SER A 55 -13.453 -0.954 -16.762 1.00 62.25 H new ATOM 0 HB2 SER A 55 -12.268 -1.003 -19.517 1.00 64.21 H new ATOM 0 HB3 SER A 55 -12.331 -2.532 -18.662 1.00 64.21 H new ATOM 0 HG SER A 55 -14.261 -2.128 -19.882 1.00 13.11 H new ATOM 882 N ILE A 56 -10.174 -1.072 -17.185 1.00 64.05 N ATOM 883 CA ILE A 56 -8.933 -1.551 -16.587 1.00 55.53 C ATOM 884 C ILE A 56 -8.655 -0.848 -15.263 1.00 32.02 C ATOM 885 O ILE A 56 -8.336 -1.491 -14.263 1.00 12.15 O ATOM 886 CB ILE A 56 -7.735 -1.338 -17.530 1.00 44.53 C ATOM 887 CG1 ILE A 56 -7.948 -2.096 -18.842 1.00 32.54 C ATOM 888 CG2 ILE A 56 -6.445 -1.784 -16.857 1.00 74.33 C ATOM 889 CD1 ILE A 56 -7.331 -1.414 -20.042 1.00 50.02 C ATOM 0 H ILE A 56 -10.046 -0.498 -18.018 1.00 64.05 H new ATOM 0 HA ILE A 56 -9.059 -2.619 -16.410 1.00 55.53 H new ATOM 0 HB ILE A 56 -7.655 -0.275 -17.756 1.00 44.53 H new ATOM 0 HG12 ILE A 56 -7.526 -3.097 -18.746 1.00 32.54 H new ATOM 0 HG13 ILE A 56 -9.018 -2.216 -19.013 1.00 32.54 H new ATOM 0 HG21 ILE A 56 -5.607 -1.627 -17.536 1.00 74.33 H new ATOM 0 HG22 ILE A 56 -6.289 -1.203 -15.948 1.00 74.33 H new ATOM 0 HG23 ILE A 56 -6.514 -2.842 -16.604 1.00 74.33 H new ATOM 0 HD11 ILE A 56 -7.522 -2.008 -20.936 1.00 50.02 H new ATOM 0 HD12 ILE A 56 -7.770 -0.424 -20.164 1.00 50.02 H new ATOM 0 HD13 ILE A 56 -6.256 -1.318 -19.893 1.00 50.02 H new ATOM 901 N ARG A 57 -8.780 0.475 -15.263 1.00 42.15 N ATOM 902 CA ARG A 57 -8.542 1.265 -14.062 1.00 13.54 C ATOM 903 C ARG A 57 -9.385 0.752 -12.898 1.00 22.33 C ATOM 904 O ARG A 57 -8.921 0.699 -11.758 1.00 71.05 O ATOM 905 CB ARG A 57 -8.860 2.739 -14.323 1.00 63.15 C ATOM 906 CG ARG A 57 -8.539 3.649 -13.149 1.00 41.02 C ATOM 907 CD ARG A 57 -9.746 3.837 -12.244 1.00 32.00 C ATOM 908 NE ARG A 57 -9.769 5.162 -11.630 1.00 21.22 N ATOM 909 CZ ARG A 57 -10.160 6.260 -12.266 1.00 45.42 C ATOM 910 NH1 ARG A 57 -10.558 6.193 -13.529 1.00 34.42 N ATOM 911 NH2 ARG A 57 -10.152 7.430 -11.639 1.00 71.14 N ATOM 0 H ARG A 57 -9.045 1.022 -16.082 1.00 42.15 H new ATOM 0 HA ARG A 57 -7.489 1.168 -13.797 1.00 13.54 H new ATOM 0 HB2 ARG A 57 -8.299 3.074 -15.195 1.00 63.15 H new ATOM 0 HB3 ARG A 57 -9.918 2.836 -14.568 1.00 63.15 H new ATOM 0 HG2 ARG A 57 -7.714 3.227 -12.575 1.00 41.02 H new ATOM 0 HG3 ARG A 57 -8.206 4.619 -13.519 1.00 41.02 H new ATOM 0 HD2 ARG A 57 -10.659 3.689 -12.822 1.00 32.00 H new ATOM 0 HD3 ARG A 57 -9.736 3.076 -11.464 1.00 32.00 H new ATOM 0 HE ARG A 57 -9.468 5.249 -10.659 1.00 21.22 H new ATOM 0 HH11 ARG A 57 -10.564 5.296 -14.015 1.00 34.42 H new ATOM 0 HH12 ARG A 57 -10.858 7.038 -14.015 1.00 34.42 H new ATOM 0 HH21 ARG A 57 -9.845 7.486 -10.668 1.00 71.14 H new ATOM 0 HH22 ARG A 57 -10.453 8.273 -12.128 1.00 71.14 H new ATOM 925 N ASP A 58 -10.624 0.375 -13.193 1.00 30.25 N ATOM 926 CA ASP A 58 -11.531 -0.135 -12.171 1.00 74.42 C ATOM 927 C ASP A 58 -11.121 -1.537 -11.731 1.00 31.21 C ATOM 928 O ASP A 58 -11.230 -1.887 -10.556 1.00 50.34 O ATOM 929 CB ASP A 58 -12.968 -0.152 -12.697 1.00 65.40 C ATOM 930 CG ASP A 58 -13.978 -0.461 -11.610 1.00 74.22 C ATOM 931 OD1 ASP A 58 -13.730 -0.088 -10.445 1.00 3.44 O ATOM 932 OD2 ASP A 58 -15.019 -1.076 -11.925 1.00 44.33 O ATOM 0 H ASP A 58 -11.023 0.413 -14.131 1.00 30.25 H new ATOM 0 HA ASP A 58 -11.476 0.528 -11.308 1.00 74.42 H new ATOM 0 HB2 ASP A 58 -13.201 0.816 -13.141 1.00 65.40 H new ATOM 0 HB3 ASP A 58 -13.053 -0.895 -13.490 1.00 65.40 H new ATOM 937 N GLY A 59 -10.649 -2.337 -12.683 1.00 14.12 N ATOM 938 CA GLY A 59 -10.231 -3.692 -12.374 1.00 13.34 C ATOM 939 C GLY A 59 -9.088 -3.733 -11.379 1.00 41.13 C ATOM 940 O GLY A 59 -9.139 -4.472 -10.396 1.00 25.12 O ATOM 0 H GLY A 59 -10.549 -2.071 -13.662 1.00 14.12 H new ATOM 0 HA2 GLY A 59 -11.078 -4.248 -11.972 1.00 13.34 H new ATOM 0 HA3 GLY A 59 -9.927 -4.194 -13.293 1.00 13.34 H new ATOM 944 N ILE A 60 -8.054 -2.939 -11.636 1.00 1.11 N ATOM 945 CA ILE A 60 -6.893 -2.889 -10.756 1.00 12.43 C ATOM 946 C ILE A 60 -7.256 -2.289 -9.401 1.00 61.42 C ATOM 947 O ILE A 60 -6.797 -2.760 -8.361 1.00 33.11 O ATOM 948 CB ILE A 60 -5.750 -2.066 -11.379 1.00 24.44 C ATOM 949 CG1 ILE A 60 -5.084 -2.853 -12.510 1.00 1.04 C ATOM 950 CG2 ILE A 60 -4.728 -1.690 -10.316 1.00 13.43 C ATOM 951 CD1 ILE A 60 -5.727 -2.630 -13.860 1.00 72.44 C ATOM 0 H ILE A 60 -7.997 -2.322 -12.446 1.00 1.11 H new ATOM 0 HA ILE A 60 -6.557 -3.917 -10.618 1.00 12.43 H new ATOM 0 HB ILE A 60 -6.167 -1.149 -11.795 1.00 24.44 H new ATOM 0 HG12 ILE A 60 -4.032 -2.573 -12.567 1.00 1.04 H new ATOM 0 HG13 ILE A 60 -5.118 -3.916 -12.271 1.00 1.04 H new ATOM 0 HG21 ILE A 60 -3.926 -1.109 -10.772 1.00 13.43 H new ATOM 0 HG22 ILE A 60 -5.211 -1.096 -9.540 1.00 13.43 H new ATOM 0 HG23 ILE A 60 -4.313 -2.596 -9.874 1.00 13.43 H new ATOM 0 HD11 ILE A 60 -5.204 -3.218 -14.614 1.00 72.44 H new ATOM 0 HD12 ILE A 60 -6.772 -2.937 -13.820 1.00 72.44 H new ATOM 0 HD13 ILE A 60 -5.669 -1.573 -14.120 1.00 72.44 H new ATOM 963 N GLU A 61 -8.084 -1.249 -9.423 1.00 24.32 N ATOM 964 CA GLU A 61 -8.509 -0.587 -8.195 1.00 43.45 C ATOM 965 C GLU A 61 -9.286 -1.547 -7.300 1.00 14.20 C ATOM 966 O GLU A 61 -9.171 -1.503 -6.075 1.00 21.20 O ATOM 967 CB GLU A 61 -9.370 0.635 -8.521 1.00 52.24 C ATOM 968 CG GLU A 61 -9.433 1.653 -7.395 1.00 51.54 C ATOM 969 CD GLU A 61 -10.852 2.077 -7.070 1.00 74.40 C ATOM 970 OE1 GLU A 61 -11.468 2.775 -7.903 1.00 33.43 O ATOM 971 OE2 GLU A 61 -11.347 1.710 -5.984 1.00 11.44 O ATOM 0 H GLU A 61 -8.473 -0.847 -10.276 1.00 24.32 H new ATOM 0 HA GLU A 61 -7.617 -0.262 -7.660 1.00 43.45 H new ATOM 0 HB2 GLU A 61 -8.976 1.118 -9.415 1.00 52.24 H new ATOM 0 HB3 GLU A 61 -10.381 0.304 -8.757 1.00 52.24 H new ATOM 0 HG2 GLU A 61 -8.971 1.231 -6.503 1.00 51.54 H new ATOM 0 HG3 GLU A 61 -8.850 2.531 -7.671 1.00 51.54 H new ATOM 978 N LYS A 62 -10.080 -2.413 -7.920 1.00 62.53 N ATOM 979 CA LYS A 62 -10.877 -3.386 -7.182 1.00 51.30 C ATOM 980 C LYS A 62 -10.017 -4.560 -6.725 1.00 13.32 C ATOM 981 O LYS A 62 -10.338 -5.232 -5.746 1.00 23.04 O ATOM 982 CB LYS A 62 -12.032 -3.893 -8.049 1.00 42.30 C ATOM 983 CG LYS A 62 -13.002 -2.802 -8.468 1.00 51.13 C ATOM 984 CD LYS A 62 -13.735 -3.169 -9.748 1.00 31.24 C ATOM 985 CE LYS A 62 -14.576 -4.424 -9.568 1.00 24.02 C ATOM 986 NZ LYS A 62 -15.624 -4.544 -10.618 1.00 73.42 N ATOM 0 H LYS A 62 -10.189 -2.461 -8.933 1.00 62.53 H new ATOM 0 HA LYS A 62 -11.283 -2.891 -6.300 1.00 51.30 H new ATOM 0 HB2 LYS A 62 -11.624 -4.367 -8.942 1.00 42.30 H new ATOM 0 HB3 LYS A 62 -12.577 -4.661 -7.500 1.00 42.30 H new ATOM 0 HG2 LYS A 62 -13.725 -2.630 -7.670 1.00 51.13 H new ATOM 0 HG3 LYS A 62 -12.460 -1.868 -8.613 1.00 51.13 H new ATOM 0 HD2 LYS A 62 -14.375 -2.341 -10.052 1.00 31.24 H new ATOM 0 HD3 LYS A 62 -13.013 -3.325 -10.550 1.00 31.24 H new ATOM 0 HE2 LYS A 62 -13.930 -5.301 -9.598 1.00 24.02 H new ATOM 0 HE3 LYS A 62 -15.047 -4.408 -8.585 1.00 24.02 H new ATOM 0 HZ1 LYS A 62 -16.175 -5.412 -10.461 1.00 73.42 H new ATOM 0 HZ2 LYS A 62 -16.256 -3.719 -10.574 1.00 73.42 H new ATOM 0 HZ3 LYS A 62 -15.174 -4.585 -11.555 1.00 73.42 H new ATOM 1000 N GLY A 63 -8.922 -4.800 -7.440 1.00 53.41 N ATOM 1001 CA GLY A 63 -8.033 -5.892 -7.091 1.00 41.11 C ATOM 1002 C GLY A 63 -8.376 -7.175 -7.821 1.00 73.20 C ATOM 1003 O GLY A 63 -8.113 -8.271 -7.325 1.00 31.14 O ATOM 0 H GLY A 63 -8.635 -4.257 -8.255 1.00 53.41 H new ATOM 0 HA2 GLY A 63 -7.006 -5.609 -7.323 1.00 41.11 H new ATOM 0 HA3 GLY A 63 -8.080 -6.066 -6.016 1.00 41.11 H new ATOM 1007 N THR A 64 -8.968 -7.041 -9.004 1.00 32.20 N ATOM 1008 CA THR A 64 -9.351 -8.199 -9.802 1.00 51.35 C ATOM 1009 C THR A 64 -8.227 -9.227 -9.854 1.00 71.22 C ATOM 1010 O THR A 64 -8.470 -10.431 -9.766 1.00 25.12 O ATOM 1011 CB THR A 64 -9.725 -7.791 -11.240 1.00 42.30 C ATOM 1012 OG1 THR A 64 -10.045 -8.954 -12.012 1.00 15.44 O ATOM 1013 CG2 THR A 64 -8.582 -7.035 -11.902 1.00 75.55 C ATOM 0 H THR A 64 -9.192 -6.142 -9.430 1.00 32.20 H new ATOM 0 HA THR A 64 -10.222 -8.642 -9.319 1.00 51.35 H new ATOM 0 HB THR A 64 -10.595 -7.136 -11.194 1.00 42.30 H new ATOM 0 HG1 THR A 64 -10.283 -8.686 -12.924 1.00 15.44 H new ATOM 0 HG21 THR A 64 -8.869 -6.757 -12.916 1.00 75.55 H new ATOM 0 HG22 THR A 64 -8.360 -6.135 -11.328 1.00 75.55 H new ATOM 0 HG23 THR A 64 -7.697 -7.671 -11.936 1.00 75.55 H new ATOM 1021 N TYR A 65 -6.997 -8.746 -9.997 1.00 54.21 N ATOM 1022 CA TYR A 65 -5.835 -9.624 -10.062 1.00 75.22 C ATOM 1023 C TYR A 65 -5.780 -10.546 -8.848 1.00 14.45 C ATOM 1024 O TYR A 65 -5.813 -10.088 -7.706 1.00 34.24 O ATOM 1025 CB TYR A 65 -4.550 -8.799 -10.149 1.00 74.22 C ATOM 1026 CG TYR A 65 -4.508 -7.641 -9.179 1.00 2.53 C ATOM 1027 CD1 TYR A 65 -4.107 -7.826 -7.861 1.00 73.14 C ATOM 1028 CD2 TYR A 65 -4.867 -6.360 -9.580 1.00 14.42 C ATOM 1029 CE1 TYR A 65 -4.068 -6.770 -6.971 1.00 62.44 C ATOM 1030 CE2 TYR A 65 -4.830 -5.298 -8.697 1.00 5.30 C ATOM 1031 CZ TYR A 65 -4.430 -5.508 -7.394 1.00 25.22 C ATOM 1032 OH TYR A 65 -4.390 -4.454 -6.511 1.00 11.34 O ATOM 0 H TYR A 65 -6.779 -7.752 -10.070 1.00 54.21 H new ATOM 0 HA TYR A 65 -5.925 -10.238 -10.958 1.00 75.22 H new ATOM 0 HB2 TYR A 65 -3.696 -9.450 -9.961 1.00 74.22 H new ATOM 0 HB3 TYR A 65 -4.442 -8.416 -11.164 1.00 74.22 H new ATOM 0 HD1 TYR A 65 -3.821 -8.812 -7.527 1.00 73.14 H new ATOM 0 HD2 TYR A 65 -5.180 -6.192 -10.600 1.00 14.42 H new ATOM 0 HE1 TYR A 65 -3.756 -6.932 -5.950 1.00 62.44 H new ATOM 0 HE2 TYR A 65 -5.113 -4.309 -9.025 1.00 5.30 H new ATOM 0 HH TYR A 65 -4.674 -3.634 -6.967 1.00 11.34 H new ATOM 1042 N ALA A 66 -5.696 -11.847 -9.104 1.00 5.04 N ATOM 1043 CA ALA A 66 -5.633 -12.834 -8.033 1.00 1.24 C ATOM 1044 C ALA A 66 -4.273 -13.522 -7.999 1.00 64.12 C ATOM 1045 O ALA A 66 -3.817 -13.969 -6.946 1.00 64.22 O ATOM 1046 CB ALA A 66 -6.743 -13.862 -8.196 1.00 42.45 C ATOM 0 H ALA A 66 -5.670 -12.242 -10.044 1.00 5.04 H new ATOM 0 HA ALA A 66 -5.771 -12.314 -7.085 1.00 1.24 H new ATOM 0 HB1 ALA A 66 -6.684 -14.593 -7.389 1.00 42.45 H new ATOM 0 HB2 ALA A 66 -7.711 -13.361 -8.162 1.00 42.45 H new ATOM 0 HB3 ALA A 66 -6.631 -14.370 -9.154 1.00 42.45 H new ATOM 1052 N THR A 67 -3.628 -13.605 -9.159 1.00 23.02 N ATOM 1053 CA THR A 67 -2.320 -14.241 -9.262 1.00 53.35 C ATOM 1054 C THR A 67 -1.721 -14.043 -10.650 1.00 54.02 C ATOM 1055 O THR A 67 -2.298 -13.355 -11.493 1.00 65.12 O ATOM 1056 CB THR A 67 -2.404 -15.749 -8.962 1.00 24.12 C ATOM 1057 OG1 THR A 67 -3.771 -16.142 -8.802 1.00 73.02 O ATOM 1058 CG2 THR A 67 -1.621 -16.094 -7.704 1.00 33.14 C ATOM 0 H THR A 67 -3.990 -13.240 -10.040 1.00 23.02 H new ATOM 0 HA THR A 67 -1.678 -13.766 -8.521 1.00 53.35 H new ATOM 0 HB THR A 67 -1.968 -16.289 -9.802 1.00 24.12 H new ATOM 0 HG1 THR A 67 -3.815 -17.103 -8.613 1.00 73.02 H new ATOM 0 HG21 THR A 67 -1.695 -17.164 -7.512 1.00 33.14 H new ATOM 0 HG22 THR A 67 -0.575 -15.821 -7.840 1.00 33.14 H new ATOM 0 HG23 THR A 67 -2.032 -15.544 -6.857 1.00 33.14 H new ATOM 1066 N ASP A 68 -0.563 -14.650 -10.881 1.00 62.43 N ATOM 1067 CA ASP A 68 0.114 -14.542 -12.169 1.00 33.43 C ATOM 1068 C ASP A 68 -0.765 -15.084 -13.292 1.00 32.34 C ATOM 1069 O ASP A 68 -0.624 -14.691 -14.450 1.00 24.53 O ATOM 1070 CB ASP A 68 1.443 -15.298 -12.135 1.00 43.32 C ATOM 1071 CG ASP A 68 2.332 -14.957 -13.315 1.00 64.30 C ATOM 1072 OD1 ASP A 68 2.202 -13.838 -13.852 1.00 2.52 O ATOM 1073 OD2 ASP A 68 3.158 -15.811 -13.702 1.00 51.01 O ATOM 0 H ASP A 68 -0.073 -15.222 -10.194 1.00 62.43 H new ATOM 0 HA ASP A 68 0.309 -13.487 -12.362 1.00 33.43 H new ATOM 0 HB2 ASP A 68 1.968 -15.064 -11.209 1.00 43.32 H new ATOM 0 HB3 ASP A 68 1.248 -16.370 -12.128 1.00 43.32 H new ATOM 1078 N VAL A 69 -1.673 -15.990 -12.941 1.00 41.02 N ATOM 1079 CA VAL A 69 -2.575 -16.586 -13.919 1.00 71.31 C ATOM 1080 C VAL A 69 -3.623 -15.581 -14.384 1.00 61.44 C ATOM 1081 O VAL A 69 -3.838 -15.403 -15.584 1.00 25.15 O ATOM 1082 CB VAL A 69 -3.287 -17.825 -13.344 1.00 14.24 C ATOM 1083 CG1 VAL A 69 -4.299 -18.370 -14.340 1.00 60.20 C ATOM 1084 CG2 VAL A 69 -2.273 -18.893 -12.962 1.00 54.40 C ATOM 0 H VAL A 69 -1.803 -16.327 -11.987 1.00 41.02 H new ATOM 0 HA VAL A 69 -1.964 -16.889 -14.769 1.00 71.31 H new ATOM 0 HB VAL A 69 -3.824 -17.528 -12.443 1.00 14.24 H new ATOM 0 HG11 VAL A 69 -4.792 -19.245 -13.916 1.00 60.20 H new ATOM 0 HG12 VAL A 69 -5.043 -17.604 -14.558 1.00 60.20 H new ATOM 0 HG13 VAL A 69 -3.788 -18.652 -15.261 1.00 60.20 H new ATOM 0 HG21 VAL A 69 -2.794 -19.761 -12.558 1.00 54.40 H new ATOM 0 HG22 VAL A 69 -1.706 -19.189 -13.845 1.00 54.40 H new ATOM 0 HG23 VAL A 69 -1.592 -18.495 -12.210 1.00 54.40 H new ATOM 1094 N ASP A 70 -4.272 -14.927 -13.428 1.00 55.12 N ATOM 1095 CA ASP A 70 -5.298 -13.938 -13.740 1.00 3.44 C ATOM 1096 C ASP A 70 -4.697 -12.747 -14.481 1.00 31.41 C ATOM 1097 O ASP A 70 -5.287 -12.232 -15.431 1.00 21.40 O ATOM 1098 CB ASP A 70 -5.984 -13.463 -12.458 1.00 52.40 C ATOM 1099 CG ASP A 70 -7.351 -12.862 -12.722 1.00 30.12 C ATOM 1100 OD1 ASP A 70 -7.817 -12.933 -13.878 1.00 54.24 O ATOM 1101 OD2 ASP A 70 -7.955 -12.322 -11.771 1.00 62.35 O ATOM 0 H ASP A 70 -4.107 -15.063 -12.431 1.00 55.12 H new ATOM 0 HA ASP A 70 -6.038 -14.409 -14.386 1.00 3.44 H new ATOM 0 HB2 ASP A 70 -6.086 -14.303 -11.771 1.00 52.40 H new ATOM 0 HB3 ASP A 70 -5.354 -12.723 -11.965 1.00 52.40 H new ATOM 1106 N VAL A 71 -3.520 -12.314 -14.039 1.00 75.14 N ATOM 1107 CA VAL A 71 -2.840 -11.184 -14.661 1.00 24.42 C ATOM 1108 C VAL A 71 -2.400 -11.521 -16.081 1.00 74.23 C ATOM 1109 O VAL A 71 -2.596 -10.732 -17.005 1.00 1.21 O ATOM 1110 CB VAL A 71 -1.608 -10.753 -13.843 1.00 41.40 C ATOM 1111 CG1 VAL A 71 -0.828 -9.675 -14.581 1.00 13.35 C ATOM 1112 CG2 VAL A 71 -2.028 -10.269 -12.463 1.00 42.13 C ATOM 0 H VAL A 71 -3.018 -12.728 -13.253 1.00 75.14 H new ATOM 0 HA VAL A 71 -3.555 -10.361 -14.691 1.00 24.42 H new ATOM 0 HB VAL A 71 -0.956 -11.617 -13.717 1.00 41.40 H new ATOM 0 HG11 VAL A 71 0.039 -9.383 -13.988 1.00 13.35 H new ATOM 0 HG12 VAL A 71 -0.495 -10.062 -15.544 1.00 13.35 H new ATOM 0 HG13 VAL A 71 -1.468 -8.807 -14.740 1.00 13.35 H new ATOM 0 HG21 VAL A 71 -1.145 -9.968 -11.899 1.00 42.13 H new ATOM 0 HG22 VAL A 71 -2.701 -9.417 -12.565 1.00 42.13 H new ATOM 0 HG23 VAL A 71 -2.539 -11.074 -11.935 1.00 42.13 H new ATOM 1122 N GLN A 72 -1.807 -12.699 -16.248 1.00 5.53 N ATOM 1123 CA GLN A 72 -1.339 -13.140 -17.557 1.00 12.44 C ATOM 1124 C GLN A 72 -2.503 -13.274 -18.533 1.00 60.21 C ATOM 1125 O GLN A 72 -2.384 -12.927 -19.707 1.00 63.23 O ATOM 1126 CB GLN A 72 -0.603 -14.475 -17.435 1.00 43.23 C ATOM 1127 CG GLN A 72 -0.291 -15.122 -18.775 1.00 51.43 C ATOM 1128 CD GLN A 72 -1.287 -16.202 -19.147 1.00 61.42 C ATOM 1129 OE1 GLN A 72 -1.578 -17.095 -18.351 1.00 13.05 O ATOM 1130 NE2 GLN A 72 -1.815 -16.128 -20.363 1.00 55.31 N ATOM 0 H GLN A 72 -1.639 -13.365 -15.494 1.00 5.53 H new ATOM 0 HA GLN A 72 -0.650 -12.388 -17.942 1.00 12.44 H new ATOM 0 HB2 GLN A 72 0.328 -14.319 -16.891 1.00 43.23 H new ATOM 0 HB3 GLN A 72 -1.208 -15.161 -16.842 1.00 43.23 H new ATOM 0 HG2 GLN A 72 -0.284 -14.357 -19.551 1.00 51.43 H new ATOM 0 HG3 GLN A 72 0.710 -15.552 -18.742 1.00 51.43 H new ATOM 0 HE21 GLN A 72 -1.545 -15.371 -20.991 1.00 55.31 H new ATOM 0 HE22 GLN A 72 -2.490 -16.829 -20.669 1.00 55.31 H new ATOM 1139 N ASN A 73 -3.628 -13.781 -18.039 1.00 50.11 N ATOM 1140 CA ASN A 73 -4.814 -13.962 -18.869 1.00 24.42 C ATOM 1141 C ASN A 73 -5.410 -12.616 -19.267 1.00 51.22 C ATOM 1142 O ASN A 73 -5.859 -12.435 -20.399 1.00 53.20 O ATOM 1143 CB ASN A 73 -5.859 -14.796 -18.125 1.00 72.03 C ATOM 1144 CG ASN A 73 -6.451 -15.890 -18.994 1.00 3.44 C ATOM 1145 OD1 ASN A 73 -6.516 -15.760 -20.216 1.00 51.31 O ATOM 1146 ND2 ASN A 73 -6.886 -16.975 -18.364 1.00 5.23 N ATOM 0 H ASN A 73 -3.743 -14.074 -17.069 1.00 50.11 H new ATOM 0 HA ASN A 73 -4.516 -14.489 -19.776 1.00 24.42 H new ATOM 0 HB2 ASN A 73 -5.402 -15.244 -17.243 1.00 72.03 H new ATOM 0 HB3 ASN A 73 -6.658 -14.143 -17.773 1.00 72.03 H new ATOM 0 HD21 ASN A 73 -7.294 -17.744 -18.895 1.00 5.23 H new ATOM 0 HD22 ASN A 73 -6.812 -17.039 -17.349 1.00 5.23 H new ATOM 1153 N ASP A 74 -5.410 -11.675 -18.330 1.00 12.42 N ATOM 1154 CA ASP A 74 -5.950 -10.344 -18.583 1.00 5.52 C ATOM 1155 C ASP A 74 -5.136 -9.622 -19.653 1.00 11.02 C ATOM 1156 O ASP A 74 -5.689 -9.102 -20.622 1.00 42.31 O ATOM 1157 CB ASP A 74 -5.962 -9.521 -17.293 1.00 70.41 C ATOM 1158 CG ASP A 74 -6.511 -8.124 -17.503 1.00 4.32 C ATOM 1159 OD1 ASP A 74 -7.750 -7.971 -17.532 1.00 65.45 O ATOM 1160 OD2 ASP A 74 -5.701 -7.182 -17.638 1.00 70.32 O ATOM 0 H ASP A 74 -5.042 -11.809 -17.388 1.00 12.42 H new ATOM 0 HA ASP A 74 -6.973 -10.456 -18.943 1.00 5.52 H new ATOM 0 HB2 ASP A 74 -6.563 -10.035 -16.543 1.00 70.41 H new ATOM 0 HB3 ASP A 74 -4.948 -9.454 -16.899 1.00 70.41 H new ATOM 1165 N VAL A 75 -3.820 -9.594 -19.470 1.00 2.44 N ATOM 1166 CA VAL A 75 -2.930 -8.936 -20.419 1.00 2.11 C ATOM 1167 C VAL A 75 -2.988 -9.611 -21.785 1.00 5.14 C ATOM 1168 O VAL A 75 -2.952 -8.945 -22.819 1.00 74.42 O ATOM 1169 CB VAL A 75 -1.473 -8.939 -19.918 1.00 34.42 C ATOM 1170 CG1 VAL A 75 -0.987 -10.364 -19.699 1.00 51.11 C ATOM 1171 CG2 VAL A 75 -0.572 -8.204 -20.898 1.00 4.03 C ATOM 0 H VAL A 75 -3.346 -10.019 -18.673 1.00 2.44 H new ATOM 0 HA VAL A 75 -3.272 -7.905 -20.511 1.00 2.11 H new ATOM 0 HB VAL A 75 -1.434 -8.417 -18.962 1.00 34.42 H new ATOM 0 HG11 VAL A 75 0.044 -10.347 -19.345 1.00 51.11 H new ATOM 0 HG12 VAL A 75 -1.617 -10.853 -18.956 1.00 51.11 H new ATOM 0 HG13 VAL A 75 -1.039 -10.915 -20.638 1.00 51.11 H new ATOM 0 HG21 VAL A 75 0.453 -8.216 -20.529 1.00 4.03 H new ATOM 0 HG22 VAL A 75 -0.613 -8.696 -21.870 1.00 4.03 H new ATOM 0 HG23 VAL A 75 -0.909 -7.172 -20.999 1.00 4.03 H new ATOM 1181 N ALA A 76 -3.077 -10.937 -21.780 1.00 3.11 N ATOM 1182 CA ALA A 76 -3.142 -11.702 -23.019 1.00 20.54 C ATOM 1183 C ALA A 76 -4.388 -11.344 -23.821 1.00 14.24 C ATOM 1184 O ALA A 76 -4.316 -11.114 -25.028 1.00 11.52 O ATOM 1185 CB ALA A 76 -3.116 -13.194 -22.719 1.00 62.01 C ATOM 0 H ALA A 76 -3.106 -11.503 -20.932 1.00 3.11 H new ATOM 0 HA ALA A 76 -2.269 -11.447 -23.621 1.00 20.54 H new ATOM 0 HB1 ALA A 76 -3.165 -13.754 -23.653 1.00 62.01 H new ATOM 0 HB2 ALA A 76 -2.194 -13.444 -22.194 1.00 62.01 H new ATOM 0 HB3 ALA A 76 -3.971 -13.455 -22.094 1.00 62.01 H new ATOM 1191 N ARG A 77 -5.530 -11.299 -23.142 1.00 73.02 N ATOM 1192 CA ARG A 77 -6.793 -10.970 -23.793 1.00 20.33 C ATOM 1193 C ARG A 77 -6.767 -9.547 -24.342 1.00 12.22 C ATOM 1194 O ARG A 77 -7.222 -9.293 -25.457 1.00 11.03 O ATOM 1195 CB ARG A 77 -7.954 -11.128 -22.809 1.00 51.02 C ATOM 1196 CG ARG A 77 -9.310 -11.257 -23.484 1.00 31.15 C ATOM 1197 CD ARG A 77 -9.527 -12.658 -24.035 1.00 11.24 C ATOM 1198 NE ARG A 77 -10.944 -12.958 -24.224 1.00 43.13 N ATOM 1199 CZ ARG A 77 -11.388 -14.019 -24.889 1.00 24.24 C ATOM 1200 NH1 ARG A 77 -10.530 -14.877 -25.423 1.00 63.22 N ATOM 1201 NH2 ARG A 77 -12.692 -14.224 -25.019 1.00 31.24 N ATOM 0 H ARG A 77 -5.607 -11.486 -22.142 1.00 73.02 H new ATOM 0 HA ARG A 77 -6.935 -11.659 -24.625 1.00 20.33 H new ATOM 0 HB2 ARG A 77 -7.779 -12.009 -22.192 1.00 51.02 H new ATOM 0 HB3 ARG A 77 -7.971 -10.268 -22.139 1.00 51.02 H new ATOM 0 HG2 ARG A 77 -10.098 -11.020 -22.769 1.00 31.15 H new ATOM 0 HG3 ARG A 77 -9.385 -10.531 -24.293 1.00 31.15 H new ATOM 0 HD2 ARG A 77 -9.005 -12.758 -24.987 1.00 11.24 H new ATOM 0 HD3 ARG A 77 -9.090 -13.387 -23.353 1.00 11.24 H new ATOM 0 HE ARG A 77 -11.630 -12.318 -23.824 1.00 43.13 H new ATOM 0 HH11 ARG A 77 -9.527 -14.723 -25.324 1.00 63.22 H new ATOM 0 HH12 ARG A 77 -10.873 -15.691 -25.933 1.00 63.22 H new ATOM 0 HH21 ARG A 77 -13.355 -13.567 -24.608 1.00 31.24 H new ATOM 0 HH22 ARG A 77 -13.032 -15.039 -25.530 1.00 31.24 H new ATOM 1215 N MET A 78 -6.233 -8.623 -23.551 1.00 5.53 N ATOM 1216 CA MET A 78 -6.147 -7.225 -23.958 1.00 51.12 C ATOM 1217 C MET A 78 -5.308 -7.078 -25.224 1.00 12.13 C ATOM 1218 O MET A 78 -5.701 -6.386 -26.163 1.00 14.40 O ATOM 1219 CB MET A 78 -5.547 -6.379 -22.833 1.00 70.24 C ATOM 1220 CG MET A 78 -6.336 -6.446 -21.536 1.00 10.22 C ATOM 1221 SD MET A 78 -7.474 -5.060 -21.343 1.00 23.32 S ATOM 1222 CE MET A 78 -8.418 -5.593 -19.917 1.00 25.31 C ATOM 0 H MET A 78 -5.853 -8.817 -22.624 1.00 5.53 H new ATOM 0 HA MET A 78 -7.156 -6.872 -24.169 1.00 51.12 H new ATOM 0 HB2 MET A 78 -4.526 -6.711 -22.645 1.00 70.24 H new ATOM 0 HB3 MET A 78 -5.490 -5.341 -23.161 1.00 70.24 H new ATOM 0 HG2 MET A 78 -6.898 -7.380 -21.505 1.00 10.22 H new ATOM 0 HG3 MET A 78 -5.644 -6.462 -20.694 1.00 10.22 H new ATOM 0 HE1 MET A 78 -9.166 -4.838 -19.673 1.00 25.31 H new ATOM 0 HE2 MET A 78 -8.915 -6.537 -20.142 1.00 25.31 H new ATOM 0 HE3 MET A 78 -7.749 -5.729 -19.068 1.00 25.31 H new ATOM 1232 N ILE A 79 -4.152 -7.733 -25.241 1.00 50.50 N ATOM 1233 CA ILE A 79 -3.259 -7.675 -26.392 1.00 11.53 C ATOM 1234 C ILE A 79 -3.933 -8.236 -27.639 1.00 50.53 C ATOM 1235 O ILE A 79 -3.904 -7.619 -28.705 1.00 74.11 O ATOM 1236 CB ILE A 79 -1.955 -8.452 -26.132 1.00 74.33 C ATOM 1237 CG1 ILE A 79 -0.892 -7.525 -25.540 1.00 60.31 C ATOM 1238 CG2 ILE A 79 -1.453 -9.089 -27.420 1.00 14.13 C ATOM 1239 CD1 ILE A 79 -1.203 -7.071 -24.131 1.00 71.31 C ATOM 0 H ILE A 79 -3.812 -8.310 -24.471 1.00 50.50 H new ATOM 0 HA ILE A 79 -3.019 -6.624 -26.554 1.00 11.53 H new ATOM 0 HB ILE A 79 -2.159 -9.245 -25.412 1.00 74.33 H new ATOM 0 HG12 ILE A 79 0.069 -8.039 -25.544 1.00 60.31 H new ATOM 0 HG13 ILE A 79 -0.788 -6.649 -26.181 1.00 60.31 H new ATOM 0 HG21 ILE A 79 -0.531 -9.635 -27.221 1.00 14.13 H new ATOM 0 HG22 ILE A 79 -2.206 -9.777 -27.803 1.00 14.13 H new ATOM 0 HG23 ILE A 79 -1.262 -8.312 -28.160 1.00 14.13 H new ATOM 0 HD11 ILE A 79 -0.407 -6.417 -23.775 1.00 71.31 H new ATOM 0 HD12 ILE A 79 -2.148 -6.529 -24.124 1.00 71.31 H new ATOM 0 HD13 ILE A 79 -1.278 -7.940 -23.477 1.00 71.31 H new ATOM 1251 N THR A 80 -4.542 -9.409 -27.500 1.00 24.24 N ATOM 1252 CA THR A 80 -5.224 -10.054 -28.614 1.00 40.14 C ATOM 1253 C THR A 80 -6.312 -9.153 -29.188 1.00 20.30 C ATOM 1254 O THR A 80 -6.460 -9.040 -30.404 1.00 21.30 O ATOM 1255 CB THR A 80 -5.854 -11.394 -28.189 1.00 2.53 C ATOM 1256 OG1 THR A 80 -4.855 -12.244 -27.615 1.00 62.33 O ATOM 1257 CG2 THR A 80 -6.499 -12.090 -29.377 1.00 60.13 C ATOM 0 H THR A 80 -4.577 -9.932 -26.625 1.00 24.24 H new ATOM 0 HA THR A 80 -4.471 -10.243 -29.379 1.00 40.14 H new ATOM 0 HB THR A 80 -6.626 -11.189 -27.447 1.00 2.53 H new ATOM 0 HG1 THR A 80 -4.630 -11.924 -26.716 1.00 62.33 H new ATOM 0 HG21 THR A 80 -6.937 -13.034 -29.052 1.00 60.13 H new ATOM 0 HG22 THR A 80 -7.279 -11.452 -29.793 1.00 60.13 H new ATOM 0 HG23 THR A 80 -5.744 -12.284 -30.139 1.00 60.13 H new ATOM 1265 N ASN A 81 -7.071 -8.514 -28.304 1.00 40.42 N ATOM 1266 CA ASN A 81 -8.146 -7.622 -28.724 1.00 33.04 C ATOM 1267 C ASN A 81 -7.595 -6.437 -29.510 1.00 44.22 C ATOM 1268 O ASN A 81 -8.116 -6.083 -30.567 1.00 73.52 O ATOM 1269 CB ASN A 81 -8.926 -7.122 -27.506 1.00 53.21 C ATOM 1270 CG ASN A 81 -9.694 -5.847 -27.796 1.00 15.35 C ATOM 1271 OD1 ASN A 81 -10.863 -5.887 -28.180 1.00 14.22 O ATOM 1272 ND2 ASN A 81 -9.039 -4.707 -27.612 1.00 42.40 N ATOM 0 H ASN A 81 -6.962 -8.597 -27.293 1.00 40.42 H new ATOM 0 HA ASN A 81 -8.818 -8.184 -29.373 1.00 33.04 H new ATOM 0 HB2 ASN A 81 -9.621 -7.896 -27.180 1.00 53.21 H new ATOM 0 HB3 ASN A 81 -8.235 -6.947 -26.682 1.00 53.21 H new ATOM 0 HD21 ASN A 81 -9.504 -3.817 -27.790 1.00 42.40 H new ATOM 0 HD22 ASN A 81 -8.070 -4.721 -27.292 1.00 42.40 H new ATOM 1279 N ALA A 82 -6.536 -5.828 -28.987 1.00 1.54 N ATOM 1280 CA ALA A 82 -5.912 -4.684 -29.641 1.00 24.24 C ATOM 1281 C ALA A 82 -5.390 -5.060 -31.023 1.00 64.12 C ATOM 1282 O ALA A 82 -5.472 -4.271 -31.965 1.00 52.31 O ATOM 1283 CB ALA A 82 -4.784 -4.135 -28.780 1.00 4.12 C ATOM 0 H ALA A 82 -6.092 -6.108 -28.112 1.00 1.54 H new ATOM 0 HA ALA A 82 -6.669 -3.910 -29.766 1.00 24.24 H new ATOM 0 HB1 ALA A 82 -4.327 -3.281 -29.280 1.00 4.12 H new ATOM 0 HB2 ALA A 82 -5.183 -3.820 -27.816 1.00 4.12 H new ATOM 0 HB3 ALA A 82 -4.033 -4.910 -28.626 1.00 4.12 H new ATOM 1289 N LEU A 83 -4.852 -6.269 -31.139 1.00 23.25 N ATOM 1290 CA LEU A 83 -4.315 -6.750 -32.407 1.00 70.00 C ATOM 1291 C LEU A 83 -5.431 -6.965 -33.424 1.00 53.21 C ATOM 1292 O LEU A 83 -5.278 -6.649 -34.603 1.00 41.14 O ATOM 1293 CB LEU A 83 -3.544 -8.054 -32.196 1.00 32.33 C ATOM 1294 CG LEU A 83 -3.373 -8.940 -33.430 1.00 61.31 C ATOM 1295 CD1 LEU A 83 -2.043 -9.675 -33.379 1.00 65.32 C ATOM 1296 CD2 LEU A 83 -4.526 -9.927 -33.542 1.00 63.33 C ATOM 0 H LEU A 83 -4.776 -6.935 -30.370 1.00 23.25 H new ATOM 0 HA LEU A 83 -3.635 -5.992 -32.796 1.00 70.00 H new ATOM 0 HB2 LEU A 83 -2.555 -7.809 -31.809 1.00 32.33 H new ATOM 0 HB3 LEU A 83 -4.053 -8.633 -31.425 1.00 32.33 H new ATOM 0 HG LEU A 83 -3.379 -8.303 -34.315 1.00 61.31 H new ATOM 0 HD11 LEU A 83 -1.939 -10.301 -34.265 1.00 65.32 H new ATOM 0 HD12 LEU A 83 -1.228 -8.951 -33.348 1.00 65.32 H new ATOM 0 HD13 LEU A 83 -2.007 -10.301 -32.487 1.00 65.32 H new ATOM 0 HD21 LEU A 83 -4.388 -10.549 -34.426 1.00 63.33 H new ATOM 0 HD22 LEU A 83 -4.552 -10.559 -32.654 1.00 63.33 H new ATOM 0 HD23 LEU A 83 -5.466 -9.381 -33.626 1.00 63.33 H new ATOM 1308 N GLU A 84 -6.554 -7.502 -32.958 1.00 14.10 N ATOM 1309 CA GLU A 84 -7.697 -7.757 -33.828 1.00 23.03 C ATOM 1310 C GLU A 84 -8.251 -6.453 -34.394 1.00 71.13 C ATOM 1311 O GLU A 84 -8.616 -6.379 -35.568 1.00 0.01 O ATOM 1312 CB GLU A 84 -8.793 -8.500 -33.062 1.00 33.03 C ATOM 1313 CG GLU A 84 -8.968 -9.945 -33.498 1.00 21.15 C ATOM 1314 CD GLU A 84 -7.731 -10.785 -33.242 1.00 14.00 C ATOM 1315 OE1 GLU A 84 -7.367 -10.959 -32.060 1.00 74.40 O ATOM 1316 OE2 GLU A 84 -7.128 -11.267 -34.223 1.00 20.31 O ATOM 0 H GLU A 84 -6.697 -7.769 -31.984 1.00 14.10 H new ATOM 0 HA GLU A 84 -7.359 -8.378 -34.657 1.00 23.03 H new ATOM 0 HB2 GLU A 84 -8.560 -8.476 -31.997 1.00 33.03 H new ATOM 0 HB3 GLU A 84 -9.738 -7.973 -33.194 1.00 33.03 H new ATOM 0 HG2 GLU A 84 -9.815 -10.381 -32.968 1.00 21.15 H new ATOM 0 HG3 GLU A 84 -9.209 -9.973 -34.561 1.00 21.15 H new ATOM 1323 N TYR A 85 -8.312 -5.428 -33.552 1.00 44.31 N ATOM 1324 CA TYR A 85 -8.824 -4.127 -33.967 1.00 31.21 C ATOM 1325 C TYR A 85 -7.760 -3.339 -34.724 1.00 51.34 C ATOM 1326 O TYR A 85 -8.076 -2.474 -35.540 1.00 51.03 O ATOM 1327 CB TYR A 85 -9.296 -3.330 -32.750 1.00 3.42 C ATOM 1328 CG TYR A 85 -9.608 -1.883 -33.058 1.00 3.41 C ATOM 1329 CD1 TYR A 85 -10.429 -1.541 -34.125 1.00 53.12 C ATOM 1330 CD2 TYR A 85 -9.080 -0.857 -32.283 1.00 34.22 C ATOM 1331 CE1 TYR A 85 -10.717 -0.220 -34.411 1.00 63.21 C ATOM 1332 CE2 TYR A 85 -9.364 0.466 -32.560 1.00 44.04 C ATOM 1333 CZ TYR A 85 -10.182 0.779 -33.626 1.00 1.55 C ATOM 1334 OH TYR A 85 -10.465 2.097 -33.906 1.00 72.52 O ATOM 0 H TYR A 85 -8.013 -5.472 -32.578 1.00 44.31 H new ATOM 0 HA TYR A 85 -9.670 -4.294 -34.634 1.00 31.21 H new ATOM 0 HB2 TYR A 85 -10.186 -3.805 -32.338 1.00 3.42 H new ATOM 0 HB3 TYR A 85 -8.527 -3.371 -31.979 1.00 3.42 H new ATOM 0 HD1 TYR A 85 -10.850 -2.321 -34.742 1.00 53.12 H new ATOM 0 HD2 TYR A 85 -8.437 -1.098 -31.450 1.00 34.22 H new ATOM 0 HE1 TYR A 85 -11.357 0.028 -35.244 1.00 63.21 H new ATOM 0 HE2 TYR A 85 -8.948 1.251 -31.946 1.00 44.04 H new ATOM 0 HH TYR A 85 -10.011 2.674 -33.257 1.00 72.52 H new ATOM 1344 N ASN A 86 -6.497 -3.645 -34.448 1.00 22.43 N ATOM 1345 CA ASN A 86 -5.384 -2.966 -35.102 1.00 75.34 C ATOM 1346 C ASN A 86 -4.961 -3.709 -36.366 1.00 34.30 C ATOM 1347 O ASN A 86 -4.028 -3.300 -37.056 1.00 13.10 O ATOM 1348 CB ASN A 86 -4.197 -2.848 -34.145 1.00 20.42 C ATOM 1349 CG ASN A 86 -4.450 -1.852 -33.030 1.00 42.43 C ATOM 1350 OD1 ASN A 86 -5.591 -1.638 -32.621 1.00 1.51 O ATOM 1351 ND2 ASN A 86 -3.383 -1.236 -32.534 1.00 22.21 N ATOM 0 H ASN A 86 -6.218 -4.359 -33.775 1.00 22.43 H new ATOM 0 HA ASN A 86 -5.716 -1.966 -35.383 1.00 75.34 H new ATOM 0 HB2 ASN A 86 -3.983 -3.826 -33.713 1.00 20.42 H new ATOM 0 HB3 ASN A 86 -3.312 -2.546 -34.704 1.00 20.42 H new ATOM 0 HD21 ASN A 86 -3.491 -0.554 -31.783 1.00 22.21 H new ATOM 0 HD22 ASN A 86 -2.456 -1.445 -32.904 1.00 22.21 H new ATOM 1358 N ALA A 87 -5.655 -4.804 -36.663 1.00 1.54 N ATOM 1359 CA ALA A 87 -5.353 -5.602 -37.844 1.00 73.20 C ATOM 1360 C ALA A 87 -5.699 -4.845 -39.122 1.00 2.24 C ATOM 1361 O ALA A 87 -6.850 -4.834 -39.557 1.00 54.42 O ATOM 1362 CB ALA A 87 -6.104 -6.925 -37.793 1.00 1.32 C ATOM 0 H ALA A 87 -6.430 -5.158 -36.102 1.00 1.54 H new ATOM 0 HA ALA A 87 -4.282 -5.804 -37.851 1.00 73.20 H new ATOM 0 HB1 ALA A 87 -5.869 -7.511 -38.681 1.00 1.32 H new ATOM 0 HB2 ALA A 87 -5.805 -7.479 -36.903 1.00 1.32 H new ATOM 0 HB3 ALA A 87 -7.176 -6.733 -37.758 1.00 1.32 H new ATOM 1368 N LYS A 88 -4.695 -4.212 -39.718 1.00 43.35 N ATOM 1369 CA LYS A 88 -4.891 -3.451 -40.947 1.00 72.51 C ATOM 1370 C LYS A 88 -3.823 -3.800 -41.979 1.00 53.21 C ATOM 1371 O LYS A 88 -4.092 -4.504 -42.951 1.00 71.41 O ATOM 1372 CB LYS A 88 -4.860 -1.950 -40.653 1.00 34.04 C ATOM 1373 CG LYS A 88 -6.238 -1.339 -40.466 1.00 12.53 C ATOM 1374 CD LYS A 88 -6.221 0.161 -40.713 1.00 30.34 C ATOM 1375 CE LYS A 88 -7.582 0.785 -40.447 1.00 33.12 C ATOM 1376 NZ LYS A 88 -7.729 2.105 -41.121 1.00 64.52 N ATOM 0 H LYS A 88 -3.736 -4.211 -39.370 1.00 43.35 H new ATOM 0 HA LYS A 88 -5.866 -3.714 -41.356 1.00 72.51 H new ATOM 0 HB2 LYS A 88 -4.270 -1.776 -39.753 1.00 34.04 H new ATOM 0 HB3 LYS A 88 -4.353 -1.438 -41.471 1.00 34.04 H new ATOM 0 HG2 LYS A 88 -6.943 -1.813 -41.149 1.00 12.53 H new ATOM 0 HG3 LYS A 88 -6.591 -1.538 -39.454 1.00 12.53 H new ATOM 0 HD2 LYS A 88 -5.474 0.628 -40.071 1.00 30.34 H new ATOM 0 HD3 LYS A 88 -5.924 0.358 -41.743 1.00 30.34 H new ATOM 0 HE2 LYS A 88 -8.365 0.111 -40.795 1.00 33.12 H new ATOM 0 HE3 LYS A 88 -7.721 0.908 -39.373 1.00 33.12 H new ATOM 0 HZ1 LYS A 88 -8.670 2.497 -40.915 1.00 64.52 H new ATOM 0 HZ2 LYS A 88 -6.998 2.757 -40.771 1.00 64.52 H new ATOM 0 HZ3 LYS A 88 -7.622 1.984 -42.148 1.00 64.52 H new ATOM 1390 N GLY A 89 -2.610 -3.302 -41.760 1.00 20.00 N ATOM 1391 CA GLY A 89 -1.520 -3.573 -42.679 1.00 1.10 C ATOM 1392 C GLY A 89 -0.486 -2.464 -42.695 1.00 71.50 C ATOM 1393 O GLY A 89 0.675 -2.694 -43.035 1.00 14.22 O ATOM 0 H GLY A 89 -2.363 -2.716 -40.963 1.00 20.00 H new ATOM 0 HA2 GLY A 89 -1.039 -4.510 -42.401 1.00 1.10 H new ATOM 0 HA3 GLY A 89 -1.921 -3.707 -43.684 1.00 1.10 H new ATOM 1397 N SER A 90 -0.908 -1.259 -42.328 1.00 41.52 N ATOM 1398 CA SER A 90 -0.011 -0.109 -42.307 1.00 53.22 C ATOM 1399 C SER A 90 1.092 -0.300 -41.271 1.00 45.43 C ATOM 1400 O SER A 90 1.258 -1.386 -40.714 1.00 55.54 O ATOM 1401 CB SER A 90 -0.795 1.170 -42.005 1.00 4.12 C ATOM 1402 OG SER A 90 -0.158 2.303 -42.569 1.00 53.44 O ATOM 0 H SER A 90 -1.865 -1.053 -42.041 1.00 41.52 H new ATOM 0 HA SER A 90 0.450 -0.020 -43.291 1.00 53.22 H new ATOM 0 HB2 SER A 90 -1.807 1.083 -42.401 1.00 4.12 H new ATOM 0 HB3 SER A 90 -0.885 1.299 -40.926 1.00 4.12 H new ATOM 0 HG SER A 90 -0.679 3.107 -42.364 1.00 53.44 H new ATOM 1408 N THR A 91 1.847 0.765 -41.017 1.00 64.12 N ATOM 1409 CA THR A 91 2.936 0.716 -40.050 1.00 4.21 C ATOM 1410 C THR A 91 2.412 0.442 -38.645 1.00 1.30 C ATOM 1411 O THR A 91 3.103 -0.156 -37.820 1.00 42.22 O ATOM 1412 CB THR A 91 3.738 2.032 -40.039 1.00 74.22 C ATOM 1413 OG1 THR A 91 3.952 2.486 -41.380 1.00 60.32 O ATOM 1414 CG2 THR A 91 5.076 1.844 -39.342 1.00 4.44 C ATOM 0 H THR A 91 1.724 1.672 -41.468 1.00 64.12 H new ATOM 0 HA THR A 91 3.593 -0.099 -40.355 1.00 4.21 H new ATOM 0 HB THR A 91 3.163 2.778 -39.491 1.00 74.22 H new ATOM 0 HG1 THR A 91 4.461 3.323 -41.365 1.00 60.32 H new ATOM 0 HG21 THR A 91 5.624 2.786 -39.347 1.00 4.44 H new ATOM 0 HG22 THR A 91 4.909 1.527 -38.313 1.00 4.44 H new ATOM 0 HG23 THR A 91 5.656 1.084 -39.866 1.00 4.44 H new ATOM 1422 N TRP A 92 1.188 0.883 -38.380 1.00 33.54 N ATOM 1423 CA TRP A 92 0.571 0.684 -37.073 1.00 74.40 C ATOM 1424 C TRP A 92 0.348 -0.799 -36.796 1.00 75.14 C ATOM 1425 O TRP A 92 0.510 -1.261 -35.667 1.00 0.24 O ATOM 1426 CB TRP A 92 -0.759 1.435 -36.994 1.00 51.43 C ATOM 1427 CG TRP A 92 -0.759 2.537 -35.978 1.00 52.22 C ATOM 1428 CD1 TRP A 92 -1.708 2.772 -35.024 1.00 42.23 C ATOM 1429 CD2 TRP A 92 0.236 3.554 -35.817 1.00 14.13 C ATOM 1430 NE1 TRP A 92 -1.363 3.874 -34.279 1.00 44.15 N ATOM 1431 CE2 TRP A 92 -0.174 4.371 -34.745 1.00 52.40 C ATOM 1432 CE3 TRP A 92 1.433 3.853 -36.471 1.00 65.35 C ATOM 1433 CZ2 TRP A 92 0.572 5.466 -34.317 1.00 14.32 C ATOM 1434 CZ3 TRP A 92 2.172 4.940 -36.045 1.00 64.14 C ATOM 1435 CH2 TRP A 92 1.740 5.736 -34.976 1.00 22.50 C ATOM 0 H TRP A 92 0.603 1.380 -39.052 1.00 33.54 H new ATOM 0 HA TRP A 92 1.249 1.078 -36.316 1.00 74.40 H new ATOM 0 HB2 TRP A 92 -0.991 1.853 -37.973 1.00 51.43 H new ATOM 0 HB3 TRP A 92 -1.553 0.728 -36.753 1.00 51.43 H new ATOM 0 HD1 TRP A 92 -2.599 2.179 -34.877 1.00 42.23 H new ATOM 0 HE1 TRP A 92 -1.904 4.259 -33.505 1.00 44.15 H new ATOM 0 HE3 TRP A 92 1.775 3.245 -37.296 1.00 65.35 H new ATOM 0 HZ2 TRP A 92 0.240 6.081 -33.493 1.00 14.32 H new ATOM 0 HZ3 TRP A 92 3.099 5.180 -36.545 1.00 64.14 H new ATOM 0 HH2 TRP A 92 2.340 6.579 -34.666 1.00 22.50 H new ATOM 1446 N TYR A 93 -0.025 -1.540 -37.834 1.00 30.42 N ATOM 1447 CA TYR A 93 -0.272 -2.971 -37.701 1.00 74.22 C ATOM 1448 C TYR A 93 1.006 -3.712 -37.321 1.00 32.12 C ATOM 1449 O TYR A 93 1.001 -4.562 -36.431 1.00 4.35 O ATOM 1450 CB TYR A 93 -0.833 -3.536 -39.007 1.00 73.33 C ATOM 1451 CG TYR A 93 -0.918 -5.046 -39.027 1.00 42.20 C ATOM 1452 CD1 TYR A 93 -1.521 -5.741 -37.986 1.00 64.44 C ATOM 1453 CD2 TYR A 93 -0.395 -5.776 -40.087 1.00 74.43 C ATOM 1454 CE1 TYR A 93 -1.599 -7.120 -38.000 1.00 71.52 C ATOM 1455 CE2 TYR A 93 -0.471 -7.156 -40.110 1.00 42.42 C ATOM 1456 CZ TYR A 93 -1.073 -7.823 -39.064 1.00 71.02 C ATOM 1457 OH TYR A 93 -1.151 -9.197 -39.082 1.00 44.23 O ATOM 0 H TYR A 93 -0.163 -1.174 -38.776 1.00 30.42 H new ATOM 0 HA TYR A 93 -1.004 -3.115 -36.906 1.00 74.22 H new ATOM 0 HB2 TYR A 93 -1.827 -3.122 -39.174 1.00 73.33 H new ATOM 0 HB3 TYR A 93 -0.206 -3.205 -39.835 1.00 73.33 H new ATOM 0 HD1 TYR A 93 -1.936 -5.194 -37.152 1.00 64.44 H new ATOM 0 HD2 TYR A 93 0.079 -5.257 -40.907 1.00 74.43 H new ATOM 0 HE1 TYR A 93 -2.069 -7.645 -37.182 1.00 71.52 H new ATOM 0 HE2 TYR A 93 -0.061 -7.709 -40.942 1.00 42.42 H new ATOM 0 HH TYR A 93 -0.735 -9.538 -39.901 1.00 44.23 H new ATOM 1467 N GLN A 94 2.098 -3.382 -38.002 1.00 62.45 N ATOM 1468 CA GLN A 94 3.384 -4.016 -37.737 1.00 22.24 C ATOM 1469 C GLN A 94 3.889 -3.660 -36.342 1.00 51.54 C ATOM 1470 O GLN A 94 4.402 -4.514 -35.621 1.00 33.21 O ATOM 1471 CB GLN A 94 4.412 -3.593 -38.788 1.00 31.23 C ATOM 1472 CG GLN A 94 5.676 -4.438 -38.777 1.00 73.13 C ATOM 1473 CD GLN A 94 6.921 -3.622 -38.492 1.00 11.01 C ATOM 1474 OE1 GLN A 94 7.026 -2.971 -37.452 1.00 53.11 O ATOM 1475 NE2 GLN A 94 7.874 -3.653 -39.416 1.00 50.21 N ATOM 0 H GLN A 94 2.118 -2.679 -38.741 1.00 62.45 H new ATOM 0 HA GLN A 94 3.246 -5.096 -37.789 1.00 22.24 H new ATOM 0 HB2 GLN A 94 3.955 -3.651 -39.776 1.00 31.23 H new ATOM 0 HB3 GLN A 94 4.681 -2.550 -38.622 1.00 31.23 H new ATOM 0 HG2 GLN A 94 5.579 -5.220 -38.024 1.00 73.13 H new ATOM 0 HG3 GLN A 94 5.785 -4.935 -39.741 1.00 73.13 H new ATOM 0 HE21 GLN A 94 7.745 -4.206 -40.263 1.00 50.21 H new ATOM 0 HE22 GLN A 94 8.735 -3.124 -39.279 1.00 50.21 H new ATOM 1484 N GLU A 95 3.740 -2.392 -35.971 1.00 1.13 N ATOM 1485 CA GLU A 95 4.183 -1.923 -34.663 1.00 35.13 C ATOM 1486 C GLU A 95 3.448 -2.657 -33.545 1.00 13.24 C ATOM 1487 O GLU A 95 4.060 -3.112 -32.579 1.00 2.50 O ATOM 1488 CB GLU A 95 3.956 -0.415 -34.533 1.00 70.42 C ATOM 1489 CG GLU A 95 4.933 0.268 -33.591 1.00 52.23 C ATOM 1490 CD GLU A 95 5.175 -0.528 -32.324 1.00 25.11 C ATOM 1491 OE1 GLU A 95 6.039 -1.430 -32.347 1.00 3.21 O ATOM 1492 OE2 GLU A 95 4.502 -0.250 -31.310 1.00 20.22 O ATOM 0 H GLU A 95 3.317 -1.672 -36.557 1.00 1.13 H new ATOM 0 HA GLU A 95 5.249 -2.132 -34.572 1.00 35.13 H new ATOM 0 HB2 GLU A 95 4.035 0.042 -35.519 1.00 70.42 H new ATOM 0 HB3 GLU A 95 2.940 -0.238 -34.180 1.00 70.42 H new ATOM 0 HG2 GLU A 95 5.881 0.421 -34.106 1.00 52.23 H new ATOM 0 HG3 GLU A 95 4.550 1.254 -33.328 1.00 52.23 H new ATOM 1499 N ALA A 96 2.131 -2.767 -33.683 1.00 75.11 N ATOM 1500 CA ALA A 96 1.312 -3.446 -32.687 1.00 32.25 C ATOM 1501 C ALA A 96 1.657 -4.930 -32.611 1.00 55.32 C ATOM 1502 O ALA A 96 1.749 -5.501 -31.525 1.00 14.41 O ATOM 1503 CB ALA A 96 -0.165 -3.261 -33.002 1.00 12.12 C ATOM 0 H ALA A 96 1.608 -2.394 -34.476 1.00 75.11 H new ATOM 0 HA ALA A 96 1.523 -3.000 -31.715 1.00 32.25 H new ATOM 0 HB1 ALA A 96 -0.764 -3.774 -32.250 1.00 12.12 H new ATOM 0 HB2 ALA A 96 -0.408 -2.198 -32.997 1.00 12.12 H new ATOM 0 HB3 ALA A 96 -0.382 -3.678 -33.985 1.00 12.12 H new ATOM 1509 N MET A 97 1.845 -5.548 -33.772 1.00 62.32 N ATOM 1510 CA MET A 97 2.180 -6.966 -33.837 1.00 23.13 C ATOM 1511 C MET A 97 3.547 -7.231 -33.213 1.00 12.35 C ATOM 1512 O MET A 97 3.719 -8.186 -32.456 1.00 4.03 O ATOM 1513 CB MET A 97 2.167 -7.450 -35.288 1.00 44.31 C ATOM 1514 CG MET A 97 2.089 -8.962 -35.424 1.00 52.42 C ATOM 1515 SD MET A 97 3.363 -9.628 -36.512 1.00 75.25 S ATOM 1516 CE MET A 97 2.417 -10.833 -37.441 1.00 65.15 C ATOM 0 H MET A 97 1.771 -5.090 -34.680 1.00 62.32 H new ATOM 0 HA MET A 97 1.429 -7.517 -33.271 1.00 23.13 H new ATOM 0 HB2 MET A 97 1.317 -7.003 -35.804 1.00 44.31 H new ATOM 0 HB3 MET A 97 3.067 -7.094 -35.789 1.00 44.31 H new ATOM 0 HG2 MET A 97 2.184 -9.417 -34.438 1.00 52.42 H new ATOM 0 HG3 MET A 97 1.107 -9.238 -35.809 1.00 52.42 H new ATOM 0 HE1 MET A 97 3.068 -11.332 -38.159 1.00 65.15 H new ATOM 0 HE2 MET A 97 1.997 -11.571 -36.758 1.00 65.15 H new ATOM 0 HE3 MET A 97 1.609 -10.330 -37.972 1.00 65.15 H new ATOM 1526 N SER A 98 4.515 -6.379 -33.535 1.00 52.21 N ATOM 1527 CA SER A 98 5.867 -6.523 -33.009 1.00 61.50 C ATOM 1528 C SER A 98 5.880 -6.360 -31.492 1.00 62.22 C ATOM 1529 O SER A 98 6.557 -7.104 -30.782 1.00 33.31 O ATOM 1530 CB SER A 98 6.800 -5.495 -33.652 1.00 71.51 C ATOM 1531 OG SER A 98 7.625 -6.099 -34.634 1.00 31.15 O ATOM 0 H SER A 98 4.388 -5.581 -34.158 1.00 52.21 H new ATOM 0 HA SER A 98 6.220 -7.525 -33.252 1.00 61.50 H new ATOM 0 HB2 SER A 98 6.211 -4.699 -34.107 1.00 71.51 H new ATOM 0 HB3 SER A 98 7.421 -5.033 -32.885 1.00 71.51 H new ATOM 0 HG SER A 98 8.211 -5.421 -35.031 1.00 31.15 H new ATOM 1537 N PHE A 99 5.127 -5.381 -31.002 1.00 45.34 N ATOM 1538 CA PHE A 99 5.052 -5.118 -29.570 1.00 43.50 C ATOM 1539 C PHE A 99 4.362 -6.267 -28.841 1.00 41.14 C ATOM 1540 O PHE A 99 4.732 -6.617 -27.721 1.00 4.13 O ATOM 1541 CB PHE A 99 4.302 -3.810 -29.309 1.00 3.41 C ATOM 1542 CG PHE A 99 5.188 -2.698 -28.824 1.00 14.52 C ATOM 1543 CD1 PHE A 99 6.353 -2.376 -29.501 1.00 73.03 C ATOM 1544 CD2 PHE A 99 4.855 -1.974 -27.690 1.00 10.10 C ATOM 1545 CE1 PHE A 99 7.170 -1.353 -29.058 1.00 15.12 C ATOM 1546 CE2 PHE A 99 5.668 -0.950 -27.242 1.00 55.41 C ATOM 1547 CZ PHE A 99 6.827 -0.640 -27.926 1.00 52.50 C ATOM 0 H PHE A 99 4.560 -4.757 -31.576 1.00 45.34 H new ATOM 0 HA PHE A 99 6.069 -5.028 -29.189 1.00 43.50 H new ATOM 0 HB2 PHE A 99 3.807 -3.495 -30.227 1.00 3.41 H new ATOM 0 HB3 PHE A 99 3.520 -3.990 -28.571 1.00 3.41 H new ATOM 0 HD1 PHE A 99 6.626 -2.931 -30.386 1.00 73.03 H new ATOM 0 HD2 PHE A 99 3.950 -2.213 -27.151 1.00 10.10 H new ATOM 0 HE1 PHE A 99 8.075 -1.112 -29.596 1.00 15.12 H new ATOM 0 HE2 PHE A 99 5.397 -0.393 -26.358 1.00 55.41 H new ATOM 0 HZ PHE A 99 7.464 0.159 -27.576 1.00 52.50 H new ATOM 1557 N ARG A 100 3.356 -6.849 -29.486 1.00 64.31 N ATOM 1558 CA ARG A 100 2.613 -7.958 -28.900 1.00 13.33 C ATOM 1559 C ARG A 100 3.546 -9.111 -28.543 1.00 44.32 C ATOM 1560 O ARG A 100 3.247 -9.917 -27.662 1.00 4.43 O ATOM 1561 CB ARG A 100 1.532 -8.443 -29.867 1.00 71.24 C ATOM 1562 CG ARG A 100 0.906 -9.769 -29.466 1.00 64.13 C ATOM 1563 CD ARG A 100 1.480 -10.923 -30.275 1.00 14.43 C ATOM 1564 NE ARG A 100 1.585 -12.146 -29.484 1.00 1.10 N ATOM 1565 CZ ARG A 100 0.538 -12.879 -29.121 1.00 64.15 C ATOM 1566 NH1 ARG A 100 -0.686 -12.515 -29.477 1.00 43.33 N ATOM 1567 NH2 ARG A 100 0.715 -13.980 -28.402 1.00 2.12 N ATOM 0 H ARG A 100 3.037 -6.571 -30.414 1.00 64.31 H new ATOM 0 HA ARG A 100 2.139 -7.601 -27.985 1.00 13.33 H new ATOM 0 HB2 ARG A 100 0.750 -7.687 -29.933 1.00 71.24 H new ATOM 0 HB3 ARG A 100 1.965 -8.542 -30.863 1.00 71.24 H new ATOM 0 HG2 ARG A 100 1.077 -9.947 -28.404 1.00 64.13 H new ATOM 0 HG3 ARG A 100 -0.173 -9.722 -29.612 1.00 64.13 H new ATOM 0 HD2 ARG A 100 0.848 -11.106 -31.144 1.00 14.43 H new ATOM 0 HD3 ARG A 100 2.466 -10.648 -30.650 1.00 14.43 H new ATOM 0 HE ARG A 100 2.513 -12.454 -29.194 1.00 1.10 H new ATOM 0 HH11 ARG A 100 -0.826 -11.670 -30.031 1.00 43.33 H new ATOM 0 HH12 ARG A 100 -1.488 -13.080 -29.197 1.00 43.33 H new ATOM 0 HH21 ARG A 100 1.655 -14.264 -28.128 1.00 2.12 H new ATOM 0 HH22 ARG A 100 -0.089 -14.542 -28.124 1.00 2.12 H new ATOM 1581 N LYS A 101 4.679 -9.184 -29.235 1.00 12.44 N ATOM 1582 CA LYS A 101 5.658 -10.237 -28.992 1.00 14.43 C ATOM 1583 C LYS A 101 6.433 -9.973 -27.705 1.00 11.41 C ATOM 1584 O LYS A 101 7.003 -10.889 -27.112 1.00 1.13 O ATOM 1585 CB LYS A 101 6.627 -10.342 -30.171 1.00 60.12 C ATOM 1586 CG LYS A 101 5.936 -10.519 -31.512 1.00 43.44 C ATOM 1587 CD LYS A 101 5.262 -11.876 -31.618 1.00 31.22 C ATOM 1588 CE LYS A 101 6.266 -12.975 -31.931 1.00 3.34 C ATOM 1589 NZ LYS A 101 6.454 -13.154 -33.397 1.00 51.40 N ATOM 0 H LYS A 101 4.941 -8.526 -29.969 1.00 12.44 H new ATOM 0 HA LYS A 101 5.122 -11.180 -28.885 1.00 14.43 H new ATOM 0 HB2 LYS A 101 7.243 -9.444 -30.205 1.00 60.12 H new ATOM 0 HB3 LYS A 101 7.299 -11.184 -30.004 1.00 60.12 H new ATOM 0 HG2 LYS A 101 5.194 -9.732 -31.646 1.00 43.44 H new ATOM 0 HG3 LYS A 101 6.665 -10.410 -32.315 1.00 43.44 H new ATOM 0 HD2 LYS A 101 4.752 -12.104 -30.682 1.00 31.22 H new ATOM 0 HD3 LYS A 101 4.500 -11.845 -32.397 1.00 31.22 H new ATOM 0 HE2 LYS A 101 7.223 -12.734 -31.469 1.00 3.34 H new ATOM 0 HE3 LYS A 101 5.927 -13.913 -31.491 1.00 3.34 H new ATOM 0 HZ1 LYS A 101 7.145 -13.912 -33.568 1.00 51.40 H new ATOM 0 HZ2 LYS A 101 5.546 -13.409 -33.835 1.00 51.40 H new ATOM 0 HZ3 LYS A 101 6.802 -12.267 -33.813 1.00 51.40 H new ATOM 1603 N THR A 102 6.449 -8.714 -27.277 1.00 22.14 N ATOM 1604 CA THR A 102 7.154 -8.330 -26.060 1.00 52.32 C ATOM 1605 C THR A 102 6.176 -7.942 -24.957 1.00 55.44 C ATOM 1606 O THR A 102 6.567 -7.752 -23.806 1.00 12.05 O ATOM 1607 CB THR A 102 8.115 -7.153 -26.316 1.00 30.55 C ATOM 1608 OG1 THR A 102 8.874 -6.876 -25.133 1.00 50.55 O ATOM 1609 CG2 THR A 102 7.348 -5.909 -26.736 1.00 34.01 C ATOM 0 H THR A 102 5.982 -7.943 -27.755 1.00 22.14 H new ATOM 0 HA THR A 102 7.731 -9.198 -25.741 1.00 52.32 H new ATOM 0 HB THR A 102 8.791 -7.433 -27.124 1.00 30.55 H new ATOM 0 HG1 THR A 102 8.318 -7.037 -24.342 1.00 50.55 H new ATOM 0 HG21 THR A 102 8.048 -5.092 -26.911 1.00 34.01 H new ATOM 0 HG22 THR A 102 6.794 -6.115 -27.652 1.00 34.01 H new ATOM 0 HG23 THR A 102 6.651 -5.627 -25.946 1.00 34.01 H new ATOM 1617 N TYR A 103 4.902 -7.826 -25.317 1.00 0.52 N ATOM 1618 CA TYR A 103 3.868 -7.458 -24.357 1.00 75.13 C ATOM 1619 C TYR A 103 3.695 -8.544 -23.300 1.00 32.12 C ATOM 1620 O TYR A 103 3.802 -8.283 -22.101 1.00 12.32 O ATOM 1621 CB TYR A 103 2.539 -7.215 -25.076 1.00 3.51 C ATOM 1622 CG TYR A 103 2.188 -5.751 -25.220 1.00 1.14 C ATOM 1623 CD1 TYR A 103 1.886 -4.976 -24.107 1.00 32.03 C ATOM 1624 CD2 TYR A 103 2.160 -5.143 -26.469 1.00 13.34 C ATOM 1625 CE1 TYR A 103 1.564 -3.639 -24.234 1.00 13.34 C ATOM 1626 CE2 TYR A 103 1.840 -3.806 -26.605 1.00 0.52 C ATOM 1627 CZ TYR A 103 1.542 -3.058 -25.485 1.00 23.04 C ATOM 1628 OH TYR A 103 1.223 -1.726 -25.615 1.00 43.20 O ATOM 0 H TYR A 103 4.561 -7.981 -26.266 1.00 0.52 H new ATOM 0 HA TYR A 103 4.179 -6.539 -23.860 1.00 75.13 H new ATOM 0 HB2 TYR A 103 2.583 -7.669 -26.066 1.00 3.51 H new ATOM 0 HB3 TYR A 103 1.742 -7.719 -24.529 1.00 3.51 H new ATOM 0 HD1 TYR A 103 1.903 -5.427 -23.126 1.00 32.03 H new ATOM 0 HD2 TYR A 103 2.392 -5.725 -27.348 1.00 13.34 H new ATOM 0 HE1 TYR A 103 1.331 -3.051 -23.358 1.00 13.34 H new ATOM 0 HE2 TYR A 103 1.823 -3.349 -27.583 1.00 0.52 H new ATOM 0 HH TYR A 103 1.254 -1.473 -26.561 1.00 43.20 H new ATOM 1638 N LEU A 104 3.428 -9.764 -23.753 1.00 34.05 N ATOM 1639 CA LEU A 104 3.240 -10.892 -22.847 1.00 24.22 C ATOM 1640 C LEU A 104 4.569 -11.325 -22.235 1.00 33.52 C ATOM 1641 O LEU A 104 4.645 -11.631 -21.045 1.00 31.23 O ATOM 1642 CB LEU A 104 2.601 -12.067 -23.589 1.00 55.21 C ATOM 1643 CG LEU A 104 3.240 -12.445 -24.926 1.00 1.34 C ATOM 1644 CD1 LEU A 104 3.791 -13.861 -24.872 1.00 60.12 C ATOM 1645 CD2 LEU A 104 2.233 -12.305 -26.057 1.00 54.45 C ATOM 0 H LEU A 104 3.337 -9.997 -24.742 1.00 34.05 H new ATOM 0 HA LEU A 104 2.576 -10.574 -22.043 1.00 24.22 H new ATOM 0 HB2 LEU A 104 2.628 -12.940 -22.937 1.00 55.21 H new ATOM 0 HB3 LEU A 104 1.551 -11.832 -23.765 1.00 55.21 H new ATOM 0 HG LEU A 104 4.068 -11.762 -25.118 1.00 1.34 H new ATOM 0 HD11 LEU A 104 4.242 -14.113 -25.832 1.00 60.12 H new ATOM 0 HD12 LEU A 104 4.545 -13.928 -24.088 1.00 60.12 H new ATOM 0 HD13 LEU A 104 2.981 -14.559 -24.657 1.00 60.12 H new ATOM 0 HD21 LEU A 104 2.705 -12.578 -27.001 1.00 54.45 H new ATOM 0 HD22 LEU A 104 1.384 -12.963 -25.872 1.00 54.45 H new ATOM 0 HD23 LEU A 104 1.887 -11.273 -26.110 1.00 54.45 H new ATOM 1657 N ASP A 105 5.613 -11.347 -23.056 1.00 31.34 N ATOM 1658 CA ASP A 105 6.940 -11.740 -22.595 1.00 13.34 C ATOM 1659 C ASP A 105 7.380 -10.881 -21.413 1.00 22.41 C ATOM 1660 O ASP A 105 7.822 -11.399 -20.386 1.00 71.22 O ATOM 1661 CB ASP A 105 7.954 -11.622 -23.733 1.00 42.51 C ATOM 1662 CG ASP A 105 8.946 -12.768 -23.746 1.00 2.22 C ATOM 1663 OD1 ASP A 105 9.096 -13.435 -22.701 1.00 1.05 O ATOM 1664 OD2 ASP A 105 9.572 -12.998 -24.801 1.00 62.43 O ATOM 0 H ASP A 105 5.566 -11.097 -24.044 1.00 31.34 H new ATOM 0 HA ASP A 105 6.892 -12.779 -22.269 1.00 13.34 H new ATOM 0 HB2 ASP A 105 7.425 -11.593 -24.686 1.00 42.51 H new ATOM 0 HB3 ASP A 105 8.493 -10.680 -23.639 1.00 42.51 H new ATOM 1669 N LEU A 106 7.258 -9.567 -21.565 1.00 24.40 N ATOM 1670 CA LEU A 106 7.645 -8.636 -20.511 1.00 30.13 C ATOM 1671 C LEU A 106 6.563 -8.548 -19.439 1.00 5.33 C ATOM 1672 O LEU A 106 6.719 -7.841 -18.443 1.00 54.35 O ATOM 1673 CB LEU A 106 7.910 -7.249 -21.100 1.00 33.41 C ATOM 1674 CG LEU A 106 9.082 -6.476 -20.495 1.00 14.31 C ATOM 1675 CD1 LEU A 106 10.380 -7.248 -20.672 1.00 74.03 C ATOM 1676 CD2 LEU A 106 9.190 -5.094 -21.124 1.00 64.53 C ATOM 0 H LEU A 106 6.894 -9.122 -22.408 1.00 24.40 H new ATOM 0 HA LEU A 106 8.559 -9.008 -20.049 1.00 30.13 H new ATOM 0 HB2 LEU A 106 8.087 -7.358 -22.170 1.00 33.41 H new ATOM 0 HB3 LEU A 106 7.007 -6.649 -20.986 1.00 33.41 H new ATOM 0 HG LEU A 106 8.900 -6.354 -19.427 1.00 14.31 H new ATOM 0 HD11 LEU A 106 11.203 -6.682 -20.235 1.00 74.03 H new ATOM 0 HD12 LEU A 106 10.300 -8.214 -20.174 1.00 74.03 H new ATOM 0 HD13 LEU A 106 10.570 -7.402 -21.734 1.00 74.03 H new ATOM 0 HD21 LEU A 106 10.029 -4.558 -20.682 1.00 64.53 H new ATOM 0 HD22 LEU A 106 9.349 -5.194 -22.198 1.00 64.53 H new ATOM 0 HD23 LEU A 106 8.269 -4.539 -20.944 1.00 64.53 H new ATOM 1688 N ALA A 107 5.469 -9.272 -19.649 1.00 0.25 N ATOM 1689 CA ALA A 107 4.364 -9.279 -18.698 1.00 53.54 C ATOM 1690 C ALA A 107 4.023 -10.700 -18.262 1.00 41.55 C ATOM 1691 O ALA A 107 2.863 -11.110 -18.303 1.00 61.11 O ATOM 1692 CB ALA A 107 3.142 -8.603 -19.305 1.00 25.34 C ATOM 0 H ALA A 107 5.324 -9.861 -20.469 1.00 0.25 H new ATOM 0 HA ALA A 107 4.674 -8.721 -17.814 1.00 53.54 H new ATOM 0 HB1 ALA A 107 2.324 -8.615 -18.585 1.00 25.34 H new ATOM 0 HB2 ALA A 107 3.386 -7.572 -19.560 1.00 25.34 H new ATOM 0 HB3 ALA A 107 2.840 -9.138 -20.206 1.00 25.34 H new ATOM 1698 N ARG A 108 5.041 -11.446 -17.847 1.00 11.04 N ATOM 1699 CA ARG A 108 4.849 -12.822 -17.405 1.00 71.11 C ATOM 1700 C ARG A 108 6.175 -13.448 -16.984 1.00 2.04 C ATOM 1701 O ARG A 108 6.296 -13.986 -15.883 1.00 70.15 O ATOM 1702 CB ARG A 108 4.212 -13.654 -18.520 1.00 13.41 C ATOM 1703 CG ARG A 108 2.950 -14.384 -18.090 1.00 23.44 C ATOM 1704 CD ARG A 108 3.204 -15.267 -16.878 1.00 31.42 C ATOM 1705 NE ARG A 108 2.095 -16.184 -16.627 1.00 62.31 N ATOM 1706 CZ ARG A 108 1.928 -17.330 -17.278 1.00 31.44 C ATOM 1707 NH1 ARG A 108 2.793 -17.698 -18.212 1.00 61.35 N ATOM 1708 NH2 ARG A 108 0.894 -18.111 -16.993 1.00 33.42 N ATOM 0 H ARG A 108 6.007 -11.121 -17.808 1.00 11.04 H new ATOM 0 HA ARG A 108 4.182 -12.810 -16.543 1.00 71.11 H new ATOM 0 HB2 ARG A 108 3.975 -13.000 -19.360 1.00 13.41 H new ATOM 0 HB3 ARG A 108 4.939 -14.383 -18.879 1.00 13.41 H new ATOM 0 HG2 ARG A 108 2.170 -13.659 -17.857 1.00 23.44 H new ATOM 0 HG3 ARG A 108 2.582 -14.994 -18.915 1.00 23.44 H new ATOM 0 HD2 ARG A 108 4.119 -15.839 -17.031 1.00 31.42 H new ATOM 0 HD3 ARG A 108 3.362 -14.641 -16.000 1.00 31.42 H new ATOM 0 HE ARG A 108 1.412 -15.931 -15.913 1.00 62.31 H new ATOM 0 HH11 ARG A 108 3.590 -17.101 -18.433 1.00 61.35 H new ATOM 0 HH12 ARG A 108 2.662 -18.578 -18.710 1.00 61.35 H new ATOM 0 HH21 ARG A 108 0.227 -17.832 -16.274 1.00 33.42 H new ATOM 0 HH22 ARG A 108 0.766 -18.991 -17.493 1.00 33.42 H new ATOM 1722 N GLN A 109 7.166 -13.373 -17.867 1.00 32.44 N ATOM 1723 CA GLN A 109 8.482 -13.934 -17.586 1.00 3.10 C ATOM 1724 C GLN A 109 9.179 -13.156 -16.475 1.00 24.25 C ATOM 1725 O GLN A 109 9.918 -13.728 -15.673 1.00 11.24 O ATOM 1726 CB GLN A 109 9.344 -13.924 -18.850 1.00 2.43 C ATOM 1727 CG GLN A 109 10.781 -14.357 -18.609 1.00 44.25 C ATOM 1728 CD GLN A 109 11.633 -14.273 -19.861 1.00 21.12 C ATOM 1729 OE1 GLN A 109 11.445 -15.039 -20.806 1.00 71.41 O ATOM 1730 NE2 GLN A 109 12.577 -13.339 -19.873 1.00 71.15 N ATOM 0 H GLN A 109 7.082 -12.930 -18.782 1.00 32.44 H new ATOM 0 HA GLN A 109 8.347 -14.964 -17.254 1.00 3.10 H new ATOM 0 HB2 GLN A 109 8.894 -14.584 -19.592 1.00 2.43 H new ATOM 0 HB3 GLN A 109 9.342 -12.920 -19.273 1.00 2.43 H new ATOM 0 HG2 GLN A 109 11.220 -13.731 -17.832 1.00 44.25 H new ATOM 0 HG3 GLN A 109 10.790 -15.381 -18.236 1.00 44.25 H new ATOM 0 HE21 GLN A 109 12.698 -12.725 -19.067 1.00 71.15 H new ATOM 0 HE22 GLN A 109 13.181 -13.235 -20.688 1.00 71.15 H new ATOM 1739 N SER A 110 8.940 -11.849 -16.433 1.00 71.43 N ATOM 1740 CA SER A 110 9.548 -10.992 -15.423 1.00 21.35 C ATOM 1741 C SER A 110 8.972 -11.289 -14.041 1.00 43.51 C ATOM 1742 O SER A 110 9.629 -11.073 -13.023 1.00 54.22 O ATOM 1743 CB SER A 110 9.329 -9.519 -15.774 1.00 23.44 C ATOM 1744 OG SER A 110 9.867 -8.671 -14.774 1.00 31.44 O ATOM 0 H SER A 110 8.329 -11.361 -17.088 1.00 71.43 H new ATOM 0 HA SER A 110 10.618 -11.198 -15.404 1.00 21.35 H new ATOM 0 HB2 SER A 110 9.796 -9.297 -16.733 1.00 23.44 H new ATOM 0 HB3 SER A 110 8.263 -9.323 -15.886 1.00 23.44 H new ATOM 0 HG SER A 110 9.716 -7.735 -15.022 1.00 31.44 H new ATOM 1750 N GLY A 111 7.739 -11.785 -14.015 1.00 10.02 N ATOM 1751 CA GLY A 111 7.094 -12.103 -12.754 1.00 61.03 C ATOM 1752 C GLY A 111 7.781 -13.239 -12.022 1.00 53.21 C ATOM 1753 O GLY A 111 8.550 -13.994 -12.616 1.00 75.34 O ATOM 0 H GLY A 111 7.175 -11.972 -14.844 1.00 10.02 H new ATOM 0 HA2 GLY A 111 7.087 -11.217 -12.119 1.00 61.03 H new ATOM 0 HA3 GLY A 111 6.054 -12.370 -12.939 1.00 61.03 H new TER 1757 GLY A 111