USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= -0.229 K(o=-0.71,f=-9.6!) USER MOD Set 1.2: A 37 MET CE :methyl -175:sc= -0.476 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.92! C(o=-3.9!,f=-2.5!) USER MOD Single : A 11 THR OG1 : rot 47:sc= 0.28 USER MOD Single : A 23 GLN : amide:sc= -0.584 K(o=-0.58,f=-5.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.0076 (180deg=-0.125) USER MOD Single : A 44 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.0044) USER MOD Single : A 56 SER OG : rot -78:sc= -0.151 USER MOD Single : A 59 LYS NZ :NH3+ -166:sc=-0.00681 (180deg=-0.135) USER MOD Single : A 65 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.5) USER MOD Single : A 67 LYS NZ :NH3+ 140:sc= -0.675 (180deg=-2.85!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0641 K(o=-0.064,f=-1.6!) USER MOD Single : A 78 TYR OH : rot 30:sc= -1.41 USER MOD Single : A 79 SER OG : rot 180:sc= -2.71 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc=-0.00199 (180deg=-0.0839) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.184 -8.504 -0.320 1.00 0.00 N ATOM 2 CA GLU A 7 8.184 -8.816 1.105 1.00 0.00 C ATOM 3 C GLU A 7 8.897 -10.139 1.372 1.00 0.00 C ATOM 4 O GLU A 7 9.846 -10.199 2.155 1.00 0.00 O ATOM 5 CB GLU A 7 6.750 -8.880 1.635 1.00 0.00 C ATOM 6 CG GLU A 7 6.100 -7.517 1.800 1.00 0.00 C ATOM 7 CD GLU A 7 5.137 -7.467 2.970 1.00 0.00 C ATOM 8 OE1 GLU A 7 4.069 -8.110 2.887 1.00 0.00 O ATOM 9 OE2 GLU A 7 5.451 -6.786 3.968 1.00 0.00 O ATOM 0 HA GLU A 7 8.721 -8.023 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.147 -9.481 0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.750 -9.392 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.875 -6.764 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.567 -7.260 0.885 1.00 0.00 H new ATOM 16 N LEU A 8 8.433 -11.197 0.716 1.00 0.00 N ATOM 17 CA LEU A 8 9.025 -12.520 0.882 1.00 0.00 C ATOM 18 C LEU A 8 10.505 -12.504 0.514 1.00 0.00 C ATOM 19 O LEU A 8 11.038 -11.481 0.084 1.00 0.00 O ATOM 20 CB LEU A 8 8.284 -13.543 0.019 1.00 0.00 C ATOM 21 CG LEU A 8 8.123 -13.185 -1.458 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.370 -13.567 -2.240 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.894 -13.868 -2.042 1.00 0.00 C ATOM 0 H LEU A 8 7.649 -11.165 0.064 1.00 0.00 H new ATOM 0 HA LEU A 8 8.933 -12.804 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.811 -14.495 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.293 -13.697 0.445 1.00 0.00 H new ATOM 0 HG LEU A 8 7.987 -12.106 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.236 -13.304 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.230 -13.031 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.539 -14.640 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.795 -13.602 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.000 -14.949 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.005 -13.543 -1.501 1.00 0.00 H new ATOM 35 N SER A 9 11.164 -13.646 0.683 1.00 0.00 N ATOM 36 CA SER A 9 12.583 -13.764 0.370 1.00 0.00 C ATOM 37 C SER A 9 12.805 -14.719 -0.798 1.00 0.00 C ATOM 38 O SER A 9 11.861 -15.317 -1.313 1.00 0.00 O ATOM 39 CB SER A 9 13.359 -14.250 1.596 1.00 0.00 C ATOM 40 OG SER A 9 13.809 -13.159 2.381 1.00 0.00 O ATOM 0 H SER A 9 10.737 -14.503 1.035 1.00 0.00 H new ATOM 0 HA SER A 9 12.949 -12.778 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.723 -14.898 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.212 -14.848 1.276 1.00 0.00 H new ATOM 0 HG SER A 9 14.300 -13.496 3.159 1.00 0.00 H new ATOM 46 N ASN A 10 14.060 -14.858 -1.211 1.00 0.00 N ATOM 47 CA ASN A 10 14.408 -15.741 -2.319 1.00 0.00 C ATOM 48 C ASN A 10 14.667 -17.160 -1.823 1.00 0.00 C ATOM 49 O ASN A 10 14.114 -18.126 -2.350 1.00 0.00 O ATOM 50 CB ASN A 10 15.641 -15.212 -3.053 1.00 0.00 C ATOM 51 CG ASN A 10 15.653 -15.600 -4.518 1.00 0.00 C ATOM 52 OD1 ASN A 10 14.794 -15.174 -5.292 1.00 0.00 O ATOM 53 ND2 ASN A 10 16.629 -16.412 -4.908 1.00 0.00 N ATOM 0 H ASN A 10 14.854 -14.371 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 10 13.565 -15.765 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.673 -14.126 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.540 -15.596 -2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.688 -16.707 -5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.319 -16.741 -4.233 1.00 0.00 H new ATOM 60 N THR A 11 15.513 -17.280 -0.804 1.00 0.00 N ATOM 61 CA THR A 11 15.847 -18.580 -0.236 1.00 0.00 C ATOM 62 C THR A 11 15.687 -18.576 1.280 1.00 0.00 C ATOM 63 O THR A 11 16.618 -18.238 2.011 1.00 0.00 O ATOM 64 CB THR A 11 17.289 -18.993 -0.588 1.00 0.00 C ATOM 65 OG1 THR A 11 18.189 -17.914 -0.311 1.00 0.00 O ATOM 66 CG2 THR A 11 17.397 -19.386 -2.053 1.00 0.00 C ATOM 0 H THR A 11 15.979 -16.492 -0.355 1.00 0.00 H new ATOM 0 HA THR A 11 15.154 -19.301 -0.669 1.00 0.00 H new ATOM 0 HB THR A 11 17.556 -19.855 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.994 -17.545 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.424 -19.674 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.733 -20.226 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.112 -18.540 -2.679 1.00 0.00 H new ATOM 74 N ARG A 12 14.501 -18.953 1.746 1.00 0.00 N ATOM 75 CA ARG A 12 14.219 -18.992 3.176 1.00 0.00 C ATOM 76 C ARG A 12 12.789 -19.456 3.435 1.00 0.00 C ATOM 77 O ARG A 12 11.831 -18.845 2.962 1.00 0.00 O ATOM 78 CB ARG A 12 14.440 -17.613 3.798 1.00 0.00 C ATOM 79 CG ARG A 12 15.223 -17.650 5.101 1.00 0.00 C ATOM 80 CD ARG A 12 15.995 -16.360 5.325 1.00 0.00 C ATOM 81 NE ARG A 12 15.205 -15.368 6.050 1.00 0.00 N ATOM 82 CZ ARG A 12 15.518 -14.078 6.107 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.599 -13.627 5.486 1.00 0.00 N ATOM 84 NH2 ARG A 12 14.749 -13.237 6.787 1.00 0.00 N ATOM 0 H ARG A 12 13.720 -19.236 1.154 1.00 0.00 H new ATOM 0 HA ARG A 12 14.903 -19.705 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.969 -16.982 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.472 -17.146 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.539 -17.815 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.915 -18.492 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.907 -16.575 5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 12 16.300 -15.948 4.363 1.00 0.00 H new ATOM 0 HE ARG A 12 14.367 -15.683 6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.193 -14.271 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.837 -12.636 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.917 -13.581 7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.990 -12.247 6.830 1.00 0.00 H new ATOM 98 N LEU A 13 12.653 -20.542 4.189 1.00 0.00 N ATOM 99 CA LEU A 13 11.340 -21.089 4.512 1.00 0.00 C ATOM 100 C LEU A 13 11.159 -21.216 6.022 1.00 0.00 C ATOM 101 O LEU A 13 11.946 -21.879 6.698 1.00 0.00 O ATOM 102 CB LEU A 13 11.158 -22.455 3.849 1.00 0.00 C ATOM 103 CG LEU A 13 11.918 -22.672 2.540 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.596 -24.039 1.956 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.586 -21.572 1.542 1.00 0.00 C ATOM 0 H LEU A 13 13.436 -21.061 4.588 1.00 0.00 H new ATOM 0 HA LEU A 13 10.584 -20.403 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.467 -23.224 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.095 -22.605 3.658 1.00 0.00 H new ATOM 0 HG LEU A 13 12.987 -22.633 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.146 -24.176 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.885 -24.815 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.526 -24.108 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.136 -21.742 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.516 -21.579 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.868 -20.605 1.959 1.00 0.00 H new ATOM 117 N PHE A 14 10.116 -20.578 6.543 1.00 0.00 N ATOM 118 CA PHE A 14 9.830 -20.621 7.972 1.00 0.00 C ATOM 119 C PHE A 14 8.842 -21.737 8.297 1.00 0.00 C ATOM 120 O PHE A 14 7.709 -21.737 7.815 1.00 0.00 O ATOM 121 CB PHE A 14 9.272 -19.276 8.443 1.00 0.00 C ATOM 122 CG PHE A 14 8.544 -19.355 9.754 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.245 -19.398 10.949 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.159 -19.387 9.792 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.578 -19.470 12.158 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.487 -19.459 10.998 1.00 0.00 C ATOM 127 CZ PHE A 14 7.198 -19.502 12.182 1.00 0.00 C ATOM 0 H PHE A 14 9.455 -20.025 5.997 1.00 0.00 H new ATOM 0 HA PHE A 14 10.763 -20.823 8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.092 -18.563 8.534 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.594 -18.887 7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.325 -19.375 10.936 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.599 -19.355 8.869 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.136 -19.501 13.082 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.407 -19.482 11.015 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.675 -19.561 13.125 1.00 0.00 H new ATOM 137 N VAL A 15 9.279 -22.687 9.116 1.00 0.00 N ATOM 138 CA VAL A 15 8.433 -23.809 9.506 1.00 0.00 C ATOM 139 C VAL A 15 7.857 -23.604 10.903 1.00 0.00 C ATOM 140 O VAL A 15 8.330 -22.758 11.662 1.00 0.00 O ATOM 141 CB VAL A 15 9.213 -25.137 9.474 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.258 -26.314 9.349 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.222 -25.135 8.336 1.00 0.00 C ATOM 0 H VAL A 15 10.214 -22.703 9.523 1.00 0.00 H new ATOM 0 HA VAL A 15 7.618 -23.857 8.784 1.00 0.00 H new ATOM 0 HB VAL A 15 9.758 -25.241 10.412 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.827 -27.244 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.579 -26.324 10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.683 -26.220 8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.764 -26.081 8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.700 -25.008 7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.926 -24.315 8.475 1.00 0.00 H new ATOM 153 N ARG A 16 6.834 -24.384 11.235 1.00 0.00 N ATOM 154 CA ARG A 16 6.193 -24.288 12.541 1.00 0.00 C ATOM 155 C ARG A 16 7.045 -24.955 13.616 1.00 0.00 C ATOM 156 O ARG A 16 8.021 -25.648 13.328 1.00 0.00 O ATOM 157 CB ARG A 16 4.806 -24.933 12.500 1.00 0.00 C ATOM 158 CG ARG A 16 3.668 -23.927 12.445 1.00 0.00 C ATOM 159 CD ARG A 16 2.318 -24.604 12.623 1.00 0.00 C ATOM 160 NE ARG A 16 1.921 -24.674 14.027 1.00 0.00 N ATOM 161 CZ ARG A 16 0.889 -25.386 14.464 1.00 0.00 C ATOM 162 NH1 ARG A 16 0.153 -26.086 13.612 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.591 -25.399 15.757 1.00 0.00 N ATOM 0 H ARG A 16 6.431 -25.089 10.618 1.00 0.00 H new ATOM 0 HA ARG A 16 6.088 -23.232 12.790 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.744 -25.587 11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.681 -25.562 13.381 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.806 -23.177 13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.690 -23.402 11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.562 -24.058 12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.360 -25.611 12.208 1.00 0.00 H new ATOM 0 HE ARG A 16 2.466 -24.147 14.709 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.379 -26.079 12.617 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.639 -26.632 13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.155 -24.862 16.416 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.202 -25.946 16.092 1.00 0.00 H new ATOM 177 N PRO A 17 6.669 -24.744 14.886 1.00 0.00 N ATOM 178 CA PRO A 17 7.385 -25.316 16.030 1.00 0.00 C ATOM 179 C PRO A 17 7.209 -26.827 16.127 1.00 0.00 C ATOM 180 O PRO A 17 6.086 -27.328 16.199 1.00 0.00 O ATOM 181 CB PRO A 17 6.741 -24.624 17.234 1.00 0.00 C ATOM 182 CG PRO A 17 5.379 -24.242 16.768 1.00 0.00 C ATOM 183 CD PRO A 17 5.515 -23.929 15.303 1.00 0.00 C ATOM 0 HA PRO A 17 8.461 -25.160 15.957 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.692 -25.291 18.095 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.314 -23.749 17.541 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.669 -25.054 16.929 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.006 -23.378 17.319 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.614 -24.195 14.750 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.691 -22.867 15.134 1.00 0.00 H new ATOM 191 N PHE A 18 8.324 -27.550 16.128 1.00 0.00 N ATOM 192 CA PHE A 18 8.292 -29.005 16.216 1.00 0.00 C ATOM 193 C PHE A 18 8.424 -29.466 17.665 1.00 0.00 C ATOM 194 O PHE A 18 8.923 -28.745 18.529 1.00 0.00 O ATOM 195 CB PHE A 18 9.415 -29.613 15.372 1.00 0.00 C ATOM 196 CG PHE A 18 9.267 -29.351 13.900 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.639 -28.131 13.360 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.757 -30.325 13.058 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.504 -27.887 12.006 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.619 -30.087 11.703 1.00 0.00 C ATOM 201 CZ PHE A 18 8.994 -28.867 11.176 1.00 0.00 C ATOM 0 H PHE A 18 9.261 -27.152 16.069 1.00 0.00 H new ATOM 0 HA PHE A 18 7.331 -29.346 15.831 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.371 -29.212 15.710 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.443 -30.690 15.540 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.039 -27.362 14.004 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.464 -31.282 13.464 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.797 -26.931 11.597 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.218 -30.855 11.057 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.889 -28.679 10.118 1.00 0.00 H new ATOM 211 N PRO A 19 7.964 -30.696 17.938 1.00 0.00 N ATOM 212 CA PRO A 19 8.019 -31.281 19.281 1.00 0.00 C ATOM 213 C PRO A 19 9.444 -31.611 19.712 1.00 0.00 C ATOM 214 O PRO A 19 10.410 -31.105 19.138 1.00 0.00 O ATOM 215 CB PRO A 19 7.192 -32.562 19.144 1.00 0.00 C ATOM 216 CG PRO A 19 7.278 -32.916 17.699 1.00 0.00 C ATOM 217 CD PRO A 19 7.357 -31.610 16.957 1.00 0.00 C ATOM 0 HA PRO A 19 7.644 -30.594 20.040 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.590 -33.359 19.771 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.159 -32.401 19.451 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.155 -33.532 17.500 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.407 -33.491 17.385 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.966 -31.695 16.057 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.371 -31.266 16.643 1.00 0.00 H new ATOM 225 N LEU A 20 9.569 -32.462 20.724 1.00 0.00 N ATOM 226 CA LEU A 20 10.877 -32.861 21.232 1.00 0.00 C ATOM 227 C LEU A 20 11.755 -33.403 20.109 1.00 0.00 C ATOM 228 O LEU A 20 12.978 -33.466 20.238 1.00 0.00 O ATOM 229 CB LEU A 20 10.721 -33.916 22.328 1.00 0.00 C ATOM 230 CG LEU A 20 10.006 -35.206 21.921 1.00 0.00 C ATOM 231 CD1 LEU A 20 11.009 -36.241 21.436 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.191 -35.753 23.083 1.00 0.00 C ATOM 0 H LEU A 20 8.780 -32.889 21.209 1.00 0.00 H new ATOM 0 HA LEU A 20 11.360 -31.979 21.652 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.713 -34.175 22.699 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.176 -33.469 23.160 1.00 0.00 H new ATOM 0 HG LEU A 20 9.325 -34.979 21.101 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.483 -37.152 21.151 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.549 -35.849 20.574 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.716 -36.465 22.235 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.689 -36.671 22.775 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.852 -35.965 23.923 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.447 -35.016 23.384 1.00 0.00 H new ATOM 244 N ASP A 21 11.123 -33.792 19.007 1.00 0.00 N ATOM 245 CA ASP A 21 11.847 -34.326 17.859 1.00 0.00 C ATOM 246 C ASP A 21 12.257 -33.207 16.906 1.00 0.00 C ATOM 247 O ASP A 21 12.493 -33.442 15.721 1.00 0.00 O ATOM 248 CB ASP A 21 10.987 -35.353 17.120 1.00 0.00 C ATOM 249 CG ASP A 21 10.455 -36.432 18.041 1.00 0.00 C ATOM 250 OD1 ASP A 21 9.380 -36.224 18.641 1.00 0.00 O ATOM 251 OD2 ASP A 21 11.113 -37.487 18.162 1.00 0.00 O ATOM 0 H ASP A 21 10.111 -33.748 18.884 1.00 0.00 H new ATOM 0 HA ASP A 21 12.750 -34.815 18.225 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.151 -34.844 16.640 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.577 -35.814 16.328 1.00 0.00 H new ATOM 256 N VAL A 22 12.338 -31.989 17.432 1.00 0.00 N ATOM 257 CA VAL A 22 12.719 -30.833 16.629 1.00 0.00 C ATOM 258 C VAL A 22 14.218 -30.826 16.353 1.00 0.00 C ATOM 259 O VAL A 22 15.004 -30.320 17.153 1.00 0.00 O ATOM 260 CB VAL A 22 12.329 -29.515 17.323 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.861 -29.483 18.747 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.842 -28.323 16.527 1.00 0.00 C ATOM 0 H VAL A 22 12.145 -31.777 18.411 1.00 0.00 H new ATOM 0 HA VAL A 22 12.179 -30.911 15.685 1.00 0.00 H new ATOM 0 HB VAL A 22 11.242 -29.455 17.366 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.575 -28.544 19.221 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.442 -30.316 19.311 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.948 -29.566 18.731 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.558 -27.399 17.031 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.928 -28.376 16.452 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.408 -28.339 15.527 1.00 0.00 H new ATOM 272 N GLN A 23 14.607 -31.390 15.214 1.00 0.00 N ATOM 273 CA GLN A 23 16.013 -31.449 14.832 1.00 0.00 C ATOM 274 C GLN A 23 16.170 -31.367 13.317 1.00 0.00 C ATOM 275 O GLN A 23 15.195 -31.487 12.576 1.00 0.00 O ATOM 276 CB GLN A 23 16.652 -32.737 15.354 1.00 0.00 C ATOM 277 CG GLN A 23 15.994 -34.001 14.822 1.00 0.00 C ATOM 278 CD GLN A 23 16.400 -35.240 15.596 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.833 -36.235 15.015 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.262 -35.185 16.916 1.00 0.00 N ATOM 0 H GLN A 23 13.969 -31.812 14.540 1.00 0.00 H new ATOM 0 HA GLN A 23 16.520 -30.594 15.278 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.708 -32.745 15.083 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.603 -32.742 16.443 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.911 -33.888 14.866 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.259 -34.130 13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.899 -34.339 17.356 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.519 -35.988 17.490 1.00 0.00 H new ATOM 289 N GLU A 24 17.403 -31.161 12.865 1.00 0.00 N ATOM 290 CA GLU A 24 17.686 -31.062 11.438 1.00 0.00 C ATOM 291 C GLU A 24 17.467 -32.404 10.746 1.00 0.00 C ATOM 292 O GLU A 24 17.216 -32.459 9.542 1.00 0.00 O ATOM 293 CB GLU A 24 19.123 -30.587 11.213 1.00 0.00 C ATOM 294 CG GLU A 24 20.172 -31.537 11.768 1.00 0.00 C ATOM 295 CD GLU A 24 21.540 -31.320 11.150 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.742 -30.268 10.509 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.408 -32.204 11.310 1.00 0.00 O ATOM 0 H GLU A 24 18.221 -31.060 13.466 1.00 0.00 H new ATOM 0 HA GLU A 24 16.999 -30.334 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.291 -30.458 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.250 -29.608 11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.240 -31.406 12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.856 -32.565 11.591 1.00 0.00 H new ATOM 304 N SER A 25 17.565 -33.483 11.515 1.00 0.00 N ATOM 305 CA SER A 25 17.382 -34.826 10.976 1.00 0.00 C ATOM 306 C SER A 25 16.059 -34.933 10.222 1.00 0.00 C ATOM 307 O SER A 25 16.022 -35.367 9.072 1.00 0.00 O ATOM 308 CB SER A 25 17.426 -35.861 12.101 1.00 0.00 C ATOM 309 OG SER A 25 17.698 -37.155 11.593 1.00 0.00 O ATOM 0 H SER A 25 17.770 -33.454 12.514 1.00 0.00 H new ATOM 0 HA SER A 25 18.195 -35.024 10.278 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.192 -35.583 12.825 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.473 -35.868 12.631 1.00 0.00 H new ATOM 0 HG SER A 25 17.723 -37.798 12.332 1.00 0.00 H new ATOM 315 N GLU A 26 14.976 -34.533 10.881 1.00 0.00 N ATOM 316 CA GLU A 26 13.651 -34.585 10.275 1.00 0.00 C ATOM 317 C GLU A 26 13.533 -33.574 9.138 1.00 0.00 C ATOM 318 O GLU A 26 12.944 -33.861 8.095 1.00 0.00 O ATOM 319 CB GLU A 26 12.573 -34.315 11.326 1.00 0.00 C ATOM 320 CG GLU A 26 12.896 -33.146 12.242 1.00 0.00 C ATOM 321 CD GLU A 26 11.683 -32.649 13.004 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.984 -33.484 13.616 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.432 -31.426 12.987 1.00 0.00 O ATOM 0 H GLU A 26 14.990 -34.170 11.834 1.00 0.00 H new ATOM 0 HA GLU A 26 13.506 -35.585 9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.626 -34.120 10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.434 -35.212 11.930 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.667 -33.447 12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.308 -32.329 11.650 1.00 0.00 H new ATOM 330 N LEU A 27 14.097 -32.390 9.347 1.00 0.00 N ATOM 331 CA LEU A 27 14.055 -31.334 8.341 1.00 0.00 C ATOM 332 C LEU A 27 14.730 -31.786 7.050 1.00 0.00 C ATOM 333 O LEU A 27 14.274 -31.464 5.954 1.00 0.00 O ATOM 334 CB LEU A 27 14.735 -30.071 8.870 1.00 0.00 C ATOM 335 CG LEU A 27 14.098 -29.432 10.105 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.222 -27.918 10.047 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.638 -29.845 10.225 1.00 0.00 C ATOM 0 H LEU A 27 14.589 -32.137 10.204 1.00 0.00 H new ATOM 0 HA LEU A 27 13.010 -31.113 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.772 -30.312 9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.753 -29.330 8.071 1.00 0.00 H new ATOM 0 HG LEU A 27 14.629 -29.786 10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.763 -27.481 10.934 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.275 -27.640 10.009 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.716 -27.545 9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.200 -29.381 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.094 -29.520 9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.573 -30.929 10.314 1.00 0.00 H new ATOM 349 N ASN A 28 15.819 -32.536 7.188 1.00 0.00 N ATOM 350 CA ASN A 28 16.556 -33.034 6.033 1.00 0.00 C ATOM 351 C ASN A 28 15.807 -34.181 5.362 1.00 0.00 C ATOM 352 O ASN A 28 15.735 -34.256 4.136 1.00 0.00 O ATOM 353 CB ASN A 28 17.952 -33.498 6.453 1.00 0.00 C ATOM 354 CG ASN A 28 18.989 -32.399 6.327 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.744 -32.351 5.355 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.032 -31.510 7.312 1.00 0.00 N ATOM 0 H ASN A 28 16.210 -32.812 8.089 1.00 0.00 H new ATOM 0 HA ASN A 28 16.652 -32.218 5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.920 -33.847 7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.250 -34.347 5.838 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.710 -30.748 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.387 -31.588 8.098 1.00 0.00 H new ATOM 363 N GLU A 29 15.250 -35.073 6.176 1.00 0.00 N ATOM 364 CA GLU A 29 14.506 -36.216 5.661 1.00 0.00 C ATOM 365 C GLU A 29 13.176 -35.774 5.059 1.00 0.00 C ATOM 366 O GLU A 29 12.564 -36.502 4.277 1.00 0.00 O ATOM 367 CB GLU A 29 14.261 -37.236 6.775 1.00 0.00 C ATOM 368 CG GLU A 29 15.495 -38.041 7.146 1.00 0.00 C ATOM 369 CD GLU A 29 15.153 -39.404 7.716 1.00 0.00 C ATOM 370 OE1 GLU A 29 14.681 -39.462 8.871 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.356 -40.412 7.008 1.00 0.00 O ATOM 0 H GLU A 29 15.300 -35.026 7.194 1.00 0.00 H new ATOM 0 HA GLU A 29 15.102 -36.681 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.898 -36.714 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.472 -37.920 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.121 -38.167 6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.082 -37.483 7.875 1.00 0.00 H new ATOM 378 N ILE A 30 12.734 -34.577 5.430 1.00 0.00 N ATOM 379 CA ILE A 30 11.477 -34.037 4.927 1.00 0.00 C ATOM 380 C ILE A 30 11.715 -33.094 3.753 1.00 0.00 C ATOM 381 O ILE A 30 11.167 -33.286 2.667 1.00 0.00 O ATOM 382 CB ILE A 30 10.707 -33.284 6.028 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.266 -34.253 7.126 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.506 -32.563 5.435 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.983 -33.578 8.450 1.00 0.00 C ATOM 0 H ILE A 30 13.228 -33.963 6.077 1.00 0.00 H new ATOM 0 HA ILE A 30 10.880 -34.886 4.593 1.00 0.00 H new ATOM 0 HB ILE A 30 11.369 -32.541 6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.370 -34.779 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.042 -35.005 7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.972 -32.035 6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.845 -31.848 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.840 -33.289 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.675 -34.326 9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.884 -33.075 8.802 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.185 -32.846 8.322 1.00 0.00 H new ATOM 397 N PHE A 31 12.537 -32.074 3.977 1.00 0.00 N ATOM 398 CA PHE A 31 12.849 -31.101 2.937 1.00 0.00 C ATOM 399 C PHE A 31 13.935 -31.630 2.004 1.00 0.00 C ATOM 400 O PHE A 31 14.339 -30.955 1.059 1.00 0.00 O ATOM 401 CB PHE A 31 13.299 -29.779 3.563 1.00 0.00 C ATOM 402 CG PHE A 31 12.204 -29.062 4.300 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.703 -29.567 5.489 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.675 -27.881 3.803 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.695 -28.909 6.167 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.667 -27.218 4.477 1.00 0.00 C ATOM 407 CZ PHE A 31 10.177 -27.733 5.662 1.00 0.00 C ATOM 0 H PHE A 31 12.999 -31.900 4.870 1.00 0.00 H new ATOM 0 HA PHE A 31 11.945 -30.930 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.122 -29.973 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.685 -29.128 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.105 -30.486 5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.055 -27.474 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.312 -29.314 7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.263 -26.299 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.390 -27.217 6.192 1.00 0.00 H new ATOM 417 N GLY A 32 14.403 -32.843 2.280 1.00 0.00 N ATOM 418 CA GLY A 32 15.438 -33.443 1.458 1.00 0.00 C ATOM 419 C GLY A 32 15.056 -33.497 -0.008 1.00 0.00 C ATOM 420 O GLY A 32 15.718 -32.913 -0.866 1.00 0.00 O ATOM 0 H GLY A 32 14.084 -33.421 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.361 -32.874 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.641 -34.453 1.815 1.00 0.00 H new ATOM 424 N PRO A 33 13.964 -34.214 -0.313 1.00 0.00 N ATOM 425 CA PRO A 33 13.471 -34.361 -1.685 1.00 0.00 C ATOM 426 C PRO A 33 12.891 -33.062 -2.235 1.00 0.00 C ATOM 427 O PRO A 33 11.718 -33.001 -2.603 1.00 0.00 O ATOM 428 CB PRO A 33 12.377 -35.423 -1.558 1.00 0.00 C ATOM 429 CG PRO A 33 11.917 -35.325 -0.144 1.00 0.00 C ATOM 430 CD PRO A 33 13.127 -34.937 0.659 1.00 0.00 C ATOM 0 HA PRO A 33 14.268 -34.632 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.560 -35.235 -2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.763 -36.418 -1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.126 -34.582 -0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.508 -36.275 0.200 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.861 -34.307 1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.640 -35.811 1.060 1.00 0.00 H new ATOM 438 N PHE A 34 13.720 -32.025 -2.288 1.00 0.00 N ATOM 439 CA PHE A 34 13.289 -30.726 -2.792 1.00 0.00 C ATOM 440 C PHE A 34 14.445 -29.995 -3.469 1.00 0.00 C ATOM 441 O PHE A 34 14.273 -29.379 -4.520 1.00 0.00 O ATOM 442 CB PHE A 34 12.729 -29.873 -1.652 1.00 0.00 C ATOM 443 CG PHE A 34 11.306 -30.201 -1.302 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.378 -30.467 -2.296 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.895 -30.241 0.021 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.067 -30.769 -1.977 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.586 -30.543 0.346 1.00 0.00 C ATOM 448 CZ PHE A 34 8.671 -30.806 -0.655 1.00 0.00 C ATOM 0 H PHE A 34 14.694 -32.059 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 34 12.505 -30.893 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.352 -30.007 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.793 -28.821 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.682 -30.438 -3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.606 -30.034 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.354 -30.976 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.279 -30.573 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.647 -31.040 -0.404 1.00 0.00 H new ATOM 458 N GLY A 35 15.623 -30.068 -2.858 1.00 0.00 N ATOM 459 CA GLY A 35 16.790 -29.409 -3.415 1.00 0.00 C ATOM 460 C GLY A 35 17.935 -29.322 -2.425 1.00 0.00 C ATOM 461 O GLY A 35 17.817 -29.732 -1.270 1.00 0.00 O ATOM 0 H GLY A 35 15.790 -30.572 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.121 -29.950 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.516 -28.405 -3.738 1.00 0.00 H new ATOM 465 N PRO A 36 19.074 -28.778 -2.878 1.00 0.00 N ATOM 466 CA PRO A 36 20.267 -28.628 -2.040 1.00 0.00 C ATOM 467 C PRO A 36 20.083 -27.576 -0.952 1.00 0.00 C ATOM 468 O PRO A 36 20.411 -26.405 -1.146 1.00 0.00 O ATOM 469 CB PRO A 36 21.345 -28.187 -3.034 1.00 0.00 C ATOM 470 CG PRO A 36 20.594 -27.535 -4.143 1.00 0.00 C ATOM 471 CD PRO A 36 19.285 -28.268 -4.243 1.00 0.00 C ATOM 0 HA PRO A 36 20.509 -29.548 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.050 -27.495 -2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.923 -29.038 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.434 -26.477 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.149 -27.597 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.477 -27.606 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.332 -29.077 -4.971 1.00 0.00 H new ATOM 479 N MET A 37 19.557 -28.000 0.192 1.00 0.00 N ATOM 480 CA MET A 37 19.331 -27.093 1.311 1.00 0.00 C ATOM 481 C MET A 37 20.643 -26.476 1.785 1.00 0.00 C ATOM 482 O MET A 37 21.484 -27.155 2.373 1.00 0.00 O ATOM 483 CB MET A 37 18.656 -27.834 2.468 1.00 0.00 C ATOM 484 CG MET A 37 19.276 -29.189 2.765 1.00 0.00 C ATOM 485 SD MET A 37 19.740 -29.376 4.497 1.00 0.00 S ATOM 486 CE MET A 37 21.340 -30.166 4.336 1.00 0.00 C ATOM 0 H MET A 37 19.279 -28.965 0.369 1.00 0.00 H new ATOM 0 HA MET A 37 18.675 -26.292 0.970 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.708 -27.216 3.364 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.600 -27.970 2.235 1.00 0.00 H new ATOM 0 HG2 MET A 37 18.570 -29.974 2.495 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.158 -29.325 2.140 1.00 0.00 H new ATOM 0 HE1 MET A 37 21.718 -30.428 5.324 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.241 -31.069 3.734 1.00 0.00 H new ATOM 0 HE3 MET A 37 22.036 -29.482 3.851 1.00 0.00 H new ATOM 496 N LYS A 38 20.812 -25.184 1.523 1.00 0.00 N ATOM 497 CA LYS A 38 22.021 -24.474 1.923 1.00 0.00 C ATOM 498 C LYS A 38 22.248 -24.589 3.427 1.00 0.00 C ATOM 499 O LYS A 38 23.379 -24.757 3.882 1.00 0.00 O ATOM 500 CB LYS A 38 21.928 -23.000 1.522 1.00 0.00 C ATOM 501 CG LYS A 38 23.188 -22.207 1.822 1.00 0.00 C ATOM 502 CD LYS A 38 24.214 -22.349 0.711 1.00 0.00 C ATOM 503 CE LYS A 38 25.213 -23.456 1.013 1.00 0.00 C ATOM 504 NZ LYS A 38 26.526 -23.213 0.354 1.00 0.00 N ATOM 0 H LYS A 38 20.126 -24.607 1.035 1.00 0.00 H new ATOM 0 HA LYS A 38 22.867 -24.931 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.714 -22.935 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 38 21.088 -22.542 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.934 -21.155 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.619 -22.550 2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 38 23.706 -22.562 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.743 -21.405 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.356 -23.532 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.809 -24.411 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.179 -23.989 0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.394 -23.166 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.924 -22.314 0.693 1.00 0.00 H new ATOM 518 N GLU A 39 21.165 -24.500 4.193 1.00 0.00 N ATOM 519 CA GLU A 39 21.248 -24.595 5.646 1.00 0.00 C ATOM 520 C GLU A 39 19.866 -24.809 6.257 1.00 0.00 C ATOM 521 O GLU A 39 18.846 -24.616 5.595 1.00 0.00 O ATOM 522 CB GLU A 39 21.884 -23.331 6.227 1.00 0.00 C ATOM 523 CG GLU A 39 22.820 -23.601 7.393 1.00 0.00 C ATOM 524 CD GLU A 39 23.698 -22.410 7.724 1.00 0.00 C ATOM 525 OE1 GLU A 39 23.378 -21.293 7.268 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.705 -22.596 8.438 1.00 0.00 O ATOM 0 H GLU A 39 20.221 -24.362 3.832 1.00 0.00 H new ATOM 0 HA GLU A 39 21.873 -25.453 5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.436 -22.818 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 39 21.094 -22.655 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.233 -23.870 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 39 23.451 -24.458 7.157 1.00 0.00 H new ATOM 533 N VAL A 40 19.841 -25.210 7.524 1.00 0.00 N ATOM 534 CA VAL A 40 18.585 -25.449 8.225 1.00 0.00 C ATOM 535 C VAL A 40 18.693 -25.058 9.695 1.00 0.00 C ATOM 536 O VAL A 40 19.685 -25.361 10.358 1.00 0.00 O ATOM 537 CB VAL A 40 18.162 -26.927 8.129 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.504 -27.208 6.786 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.360 -27.839 8.346 1.00 0.00 C ATOM 0 H VAL A 40 20.676 -25.376 8.086 1.00 0.00 H new ATOM 0 HA VAL A 40 17.830 -24.830 7.742 1.00 0.00 H new ATOM 0 HB VAL A 40 17.433 -27.130 8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.212 -28.257 6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.620 -26.580 6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.208 -26.989 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.043 -28.879 8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.114 -27.637 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 40 19.783 -27.655 9.334 1.00 0.00 H new ATOM 549 N LYS A 41 17.665 -24.382 10.198 1.00 0.00 N ATOM 550 CA LYS A 41 17.642 -23.949 11.590 1.00 0.00 C ATOM 551 C LYS A 41 16.460 -24.566 12.332 1.00 0.00 C ATOM 552 O LYS A 41 15.337 -24.579 11.827 1.00 0.00 O ATOM 553 CB LYS A 41 17.568 -22.423 11.670 1.00 0.00 C ATOM 554 CG LYS A 41 18.900 -21.765 11.982 1.00 0.00 C ATOM 555 CD LYS A 41 19.724 -21.548 10.724 1.00 0.00 C ATOM 556 CE LYS A 41 19.427 -20.198 10.089 1.00 0.00 C ATOM 557 NZ LYS A 41 20.010 -19.076 10.874 1.00 0.00 N ATOM 0 H LYS A 41 16.837 -24.122 9.662 1.00 0.00 H new ATOM 0 HA LYS A 41 18.563 -24.287 12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.194 -22.036 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.845 -22.142 12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.727 -20.808 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.459 -22.387 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.785 -21.611 10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.513 -22.342 10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.826 -20.178 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.348 -20.064 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.012 -18.212 10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.441 -18.918 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.986 -19.313 11.146 1.00 0.00 H new ATOM 571 N ILE A 42 16.721 -25.074 13.532 1.00 0.00 N ATOM 572 CA ILE A 42 15.678 -25.690 14.343 1.00 0.00 C ATOM 573 C ILE A 42 15.742 -25.200 15.785 1.00 0.00 C ATOM 574 O ILE A 42 16.657 -25.551 16.532 1.00 0.00 O ATOM 575 CB ILE A 42 15.786 -27.226 14.329 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.252 -27.655 14.230 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.981 -27.803 13.174 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.734 -27.834 12.807 1.00 0.00 C ATOM 0 H ILE A 42 17.645 -25.071 13.964 1.00 0.00 H new ATOM 0 HA ILE A 42 14.724 -25.398 13.904 1.00 0.00 H new ATOM 0 HB ILE A 42 15.376 -27.613 15.262 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.875 -26.910 14.725 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.385 -28.592 14.771 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.067 -28.890 13.177 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.934 -27.522 13.284 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.365 -27.412 12.232 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.781 -28.138 12.813 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.136 -28.601 12.314 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.633 -26.892 12.267 1.00 0.00 H new ATOM 590 N LEU A 43 14.765 -24.388 16.173 1.00 0.00 N ATOM 591 CA LEU A 43 14.709 -23.850 17.528 1.00 0.00 C ATOM 592 C LEU A 43 13.374 -24.177 18.189 1.00 0.00 C ATOM 593 O LEU A 43 12.342 -24.250 17.522 1.00 0.00 O ATOM 594 CB LEU A 43 14.923 -22.336 17.506 1.00 0.00 C ATOM 595 CG LEU A 43 16.091 -21.835 16.655 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.947 -20.348 16.373 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.416 -22.124 17.344 1.00 0.00 C ATOM 0 H LEU A 43 14.000 -24.087 15.568 1.00 0.00 H new ATOM 0 HA LEU A 43 15.505 -24.315 18.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.009 -21.865 17.145 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.074 -21.996 18.530 1.00 0.00 H new ATOM 0 HG LEU A 43 16.076 -22.367 15.704 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.787 -20.010 15.766 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.016 -20.168 15.836 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.935 -19.799 17.314 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.235 -21.761 16.724 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.441 -21.620 18.310 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.522 -23.199 17.492 1.00 0.00 H new ATOM 609 N ASN A 44 13.401 -24.370 19.503 1.00 0.00 N ATOM 610 CA ASN A 44 12.192 -24.688 20.255 1.00 0.00 C ATOM 611 C ASN A 44 11.186 -23.544 20.173 1.00 0.00 C ATOM 612 O ASN A 44 11.212 -22.621 20.986 1.00 0.00 O ATOM 613 CB ASN A 44 12.537 -24.976 21.717 1.00 0.00 C ATOM 614 CG ASN A 44 13.064 -26.383 21.921 1.00 0.00 C ATOM 615 OD1 ASN A 44 14.179 -26.576 22.406 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.263 -27.374 21.549 1.00 0.00 N ATOM 0 H ASN A 44 14.247 -24.312 20.070 1.00 0.00 H new ATOM 0 HA ASN A 44 11.742 -25.577 19.814 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.283 -24.259 22.059 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.649 -24.831 22.332 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.564 -28.342 21.661 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.347 -27.167 21.151 1.00 0.00 H new ATOM 623 N GLY A 45 10.297 -23.613 19.186 1.00 0.00 N ATOM 624 CA GLY A 45 9.294 -22.579 19.017 1.00 0.00 C ATOM 625 C GLY A 45 9.124 -22.168 17.568 1.00 0.00 C ATOM 626 O GLY A 45 8.085 -21.629 17.186 1.00 0.00 O ATOM 0 H GLY A 45 10.254 -24.367 18.501 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.340 -22.936 19.405 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.572 -21.707 19.609 1.00 0.00 H new ATOM 630 N PHE A 46 10.146 -22.422 16.758 1.00 0.00 N ATOM 631 CA PHE A 46 10.106 -22.072 15.343 1.00 0.00 C ATOM 632 C PHE A 46 11.255 -22.733 14.587 1.00 0.00 C ATOM 633 O PHE A 46 12.312 -23.004 15.155 1.00 0.00 O ATOM 634 CB PHE A 46 10.173 -20.554 15.169 1.00 0.00 C ATOM 635 CG PHE A 46 10.831 -19.847 16.319 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.147 -20.119 16.656 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.133 -18.910 17.064 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.755 -19.470 17.714 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.736 -18.258 18.123 1.00 0.00 C ATOM 640 CZ PHE A 46 12.048 -18.539 18.449 1.00 0.00 C ATOM 0 H PHE A 46 11.013 -22.869 17.057 1.00 0.00 H new ATOM 0 HA PHE A 46 9.165 -22.437 14.931 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.717 -20.325 14.253 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.162 -20.166 15.045 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.704 -20.847 16.085 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.106 -18.687 16.814 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.782 -19.691 17.966 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.181 -17.529 18.695 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.520 -18.032 19.277 1.00 0.00 H new ATOM 650 N ALA A 47 11.038 -22.992 13.301 1.00 0.00 N ATOM 651 CA ALA A 47 12.054 -23.619 12.466 1.00 0.00 C ATOM 652 C ALA A 47 12.263 -22.837 11.174 1.00 0.00 C ATOM 653 O ALA A 47 11.364 -22.136 10.709 1.00 0.00 O ATOM 654 CB ALA A 47 11.669 -25.059 12.158 1.00 0.00 C ATOM 0 H ALA A 47 10.167 -22.777 12.816 1.00 0.00 H new ATOM 0 HA ALA A 47 12.994 -23.616 13.017 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.437 -25.515 11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.579 -25.619 13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.715 -25.076 11.631 1.00 0.00 H new ATOM 660 N PHE A 48 13.454 -22.962 10.598 1.00 0.00 N ATOM 661 CA PHE A 48 13.781 -22.265 9.359 1.00 0.00 C ATOM 662 C PHE A 48 14.572 -23.169 8.419 1.00 0.00 C ATOM 663 O PHE A 48 15.295 -24.063 8.861 1.00 0.00 O ATOM 664 CB PHE A 48 14.582 -20.996 9.659 1.00 0.00 C ATOM 665 CG PHE A 48 13.893 -20.065 10.615 1.00 0.00 C ATOM 666 CD1 PHE A 48 13.931 -20.299 11.980 1.00 0.00 C ATOM 667 CD2 PHE A 48 13.208 -18.955 10.149 1.00 0.00 C ATOM 668 CE1 PHE A 48 13.299 -19.444 12.863 1.00 0.00 C ATOM 669 CE2 PHE A 48 12.574 -18.096 11.027 1.00 0.00 C ATOM 670 CZ PHE A 48 12.619 -18.341 12.385 1.00 0.00 C ATOM 0 H PHE A 48 14.209 -23.539 10.969 1.00 0.00 H new ATOM 0 HA PHE A 48 12.847 -21.990 8.869 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.551 -21.277 10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.774 -20.468 8.725 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.461 -21.160 12.359 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.169 -18.758 9.088 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.337 -19.638 13.925 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.044 -17.234 10.651 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.123 -17.671 13.072 1.00 0.00 H new ATOM 680 N VAL A 49 14.430 -22.931 7.119 1.00 0.00 N ATOM 681 CA VAL A 49 15.132 -23.722 6.115 1.00 0.00 C ATOM 682 C VAL A 49 15.537 -22.863 4.923 1.00 0.00 C ATOM 683 O VAL A 49 14.687 -22.322 4.218 1.00 0.00 O ATOM 684 CB VAL A 49 14.264 -24.894 5.618 1.00 0.00 C ATOM 685 CG1 VAL A 49 15.004 -25.692 4.555 1.00 0.00 C ATOM 686 CG2 VAL A 49 13.859 -25.787 6.781 1.00 0.00 C ATOM 0 H VAL A 49 13.835 -22.196 6.736 1.00 0.00 H new ATOM 0 HA VAL A 49 16.027 -24.119 6.593 1.00 0.00 H new ATOM 0 HB VAL A 49 13.358 -24.488 5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.376 -26.516 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.239 -25.043 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.928 -26.089 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.246 -26.610 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.752 -26.187 7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.288 -25.205 7.505 1.00 0.00 H new ATOM 696 N GLU A 50 16.843 -22.743 4.704 1.00 0.00 N ATOM 697 CA GLU A 50 17.362 -21.949 3.596 1.00 0.00 C ATOM 698 C GLU A 50 17.876 -22.848 2.476 1.00 0.00 C ATOM 699 O GLU A 50 18.896 -23.522 2.624 1.00 0.00 O ATOM 700 CB GLU A 50 18.483 -21.028 4.081 1.00 0.00 C ATOM 701 CG GLU A 50 19.104 -20.191 2.975 1.00 0.00 C ATOM 702 CD GLU A 50 19.933 -19.039 3.510 1.00 0.00 C ATOM 703 OE1 GLU A 50 20.566 -19.207 4.574 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.948 -17.970 2.865 1.00 0.00 O ATOM 0 H GLU A 50 17.560 -23.185 5.279 1.00 0.00 H new ATOM 0 HA GLU A 50 16.546 -21.341 3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.089 -20.364 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.261 -21.631 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.733 -20.828 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.314 -19.799 2.335 1.00 0.00 H new ATOM 711 N PHE A 51 17.162 -22.854 1.355 1.00 0.00 N ATOM 712 CA PHE A 51 17.544 -23.671 0.209 1.00 0.00 C ATOM 713 C PHE A 51 18.564 -22.944 -0.662 1.00 0.00 C ATOM 714 O PHE A 51 18.530 -21.720 -0.784 1.00 0.00 O ATOM 715 CB PHE A 51 16.311 -24.030 -0.622 1.00 0.00 C ATOM 716 CG PHE A 51 15.651 -25.309 -0.194 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.291 -26.526 -0.366 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.390 -25.295 0.381 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.686 -27.705 0.026 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.780 -26.471 0.776 1.00 0.00 C ATOM 721 CZ PHE A 51 14.429 -27.677 0.599 1.00 0.00 C ATOM 0 H PHE A 51 16.316 -22.302 1.216 1.00 0.00 H new ATOM 0 HA PHE A 51 18.000 -24.587 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.588 -23.217 -0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.600 -24.113 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.274 -26.553 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.878 -24.355 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.195 -28.647 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.797 -26.447 1.223 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.955 -28.597 0.908 1.00 0.00 H new ATOM 731 N GLU A 52 19.471 -23.707 -1.264 1.00 0.00 N ATOM 732 CA GLU A 52 20.502 -23.135 -2.122 1.00 0.00 C ATOM 733 C GLU A 52 19.912 -22.687 -3.457 1.00 0.00 C ATOM 734 O GLU A 52 20.606 -22.103 -4.288 1.00 0.00 O ATOM 735 CB GLU A 52 21.620 -24.152 -2.361 1.00 0.00 C ATOM 736 CG GLU A 52 22.876 -23.545 -2.962 1.00 0.00 C ATOM 737 CD GLU A 52 22.953 -23.731 -4.465 1.00 0.00 C ATOM 738 OE1 GLU A 52 22.541 -24.806 -4.951 1.00 0.00 O ATOM 739 OE2 GLU A 52 23.424 -22.804 -5.156 1.00 0.00 O ATOM 0 H GLU A 52 19.513 -24.722 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 52 20.917 -22.263 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.874 -24.629 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.252 -24.935 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.908 -22.481 -2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.752 -23.999 -2.498 1.00 0.00 H new ATOM 746 N GLU A 53 18.628 -22.968 -3.653 1.00 0.00 N ATOM 747 CA GLU A 53 17.945 -22.595 -4.887 1.00 0.00 C ATOM 748 C GLU A 53 16.559 -22.031 -4.593 1.00 0.00 C ATOM 749 O GLU A 53 15.736 -22.682 -3.949 1.00 0.00 O ATOM 750 CB GLU A 53 17.829 -23.805 -5.816 1.00 0.00 C ATOM 751 CG GLU A 53 19.046 -24.012 -6.702 1.00 0.00 C ATOM 752 CD GLU A 53 19.359 -22.798 -7.555 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.462 -21.945 -7.724 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.500 -22.700 -8.054 1.00 0.00 O ATOM 0 H GLU A 53 18.040 -23.452 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 53 18.535 -21.822 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.672 -24.700 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.948 -23.685 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.909 -24.246 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.878 -24.873 -7.349 1.00 0.00 H new ATOM 761 N ALA A 54 16.308 -20.816 -5.068 1.00 0.00 N ATOM 762 CA ALA A 54 15.021 -20.164 -4.858 1.00 0.00 C ATOM 763 C ALA A 54 13.870 -21.078 -5.261 1.00 0.00 C ATOM 764 O ALA A 54 12.852 -21.150 -4.572 1.00 0.00 O ATOM 765 CB ALA A 54 14.958 -18.858 -5.636 1.00 0.00 C ATOM 0 H ALA A 54 16.979 -20.263 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 54 14.921 -19.946 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.992 -18.382 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.753 -18.194 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.084 -19.061 -6.699 1.00 0.00 H new ATOM 771 N GLU A 55 14.038 -21.776 -6.380 1.00 0.00 N ATOM 772 CA GLU A 55 13.010 -22.685 -6.874 1.00 0.00 C ATOM 773 C GLU A 55 12.682 -23.752 -5.834 1.00 0.00 C ATOM 774 O GLU A 55 11.519 -23.959 -5.487 1.00 0.00 O ATOM 775 CB GLU A 55 13.468 -23.348 -8.175 1.00 0.00 C ATOM 776 CG GLU A 55 12.338 -23.994 -8.959 1.00 0.00 C ATOM 777 CD GLU A 55 12.668 -24.160 -10.430 1.00 0.00 C ATOM 778 OE1 GLU A 55 12.420 -23.211 -11.204 1.00 0.00 O ATOM 779 OE2 GLU A 55 13.175 -25.237 -10.807 1.00 0.00 O ATOM 0 H GLU A 55 14.875 -21.730 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 55 12.109 -22.103 -7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.954 -22.601 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.217 -24.105 -7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.114 -24.970 -8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.438 -23.387 -8.859 1.00 0.00 H new ATOM 786 N SER A 56 13.716 -24.427 -5.341 1.00 0.00 N ATOM 787 CA SER A 56 13.538 -25.476 -4.344 1.00 0.00 C ATOM 788 C SER A 56 12.785 -24.947 -3.127 1.00 0.00 C ATOM 789 O SER A 56 11.952 -25.643 -2.548 1.00 0.00 O ATOM 790 CB SER A 56 14.895 -26.036 -3.915 1.00 0.00 C ATOM 791 OG SER A 56 15.520 -26.732 -4.980 1.00 0.00 O ATOM 0 H SER A 56 14.685 -24.266 -5.616 1.00 0.00 H new ATOM 0 HA SER A 56 12.949 -26.275 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.539 -25.222 -3.581 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.763 -26.707 -3.066 1.00 0.00 H new ATOM 0 HG SER A 56 15.113 -27.618 -5.075 1.00 0.00 H new ATOM 797 N ALA A 57 13.086 -23.710 -2.745 1.00 0.00 N ATOM 798 CA ALA A 57 12.437 -23.086 -1.599 1.00 0.00 C ATOM 799 C ALA A 57 10.979 -22.760 -1.903 1.00 0.00 C ATOM 800 O ALA A 57 10.078 -23.144 -1.158 1.00 0.00 O ATOM 801 CB ALA A 57 13.187 -21.827 -1.189 1.00 0.00 C ATOM 0 H ALA A 57 13.775 -23.121 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 57 12.458 -23.795 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.691 -21.371 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.212 -22.085 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.196 -21.122 -2.020 1.00 0.00 H new ATOM 807 N ALA A 58 10.754 -22.048 -3.003 1.00 0.00 N ATOM 808 CA ALA A 58 9.405 -21.671 -3.407 1.00 0.00 C ATOM 809 C ALA A 58 8.501 -22.895 -3.510 1.00 0.00 C ATOM 810 O ALA A 58 7.299 -22.816 -3.255 1.00 0.00 O ATOM 811 CB ALA A 58 9.440 -20.925 -4.732 1.00 0.00 C ATOM 0 H ALA A 58 11.489 -21.721 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 58 8.994 -21.012 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.426 -20.650 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.044 -20.024 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.875 -21.566 -5.499 1.00 0.00 H new ATOM 817 N LYS A 59 9.086 -24.027 -3.887 1.00 0.00 N ATOM 818 CA LYS A 59 8.334 -25.269 -4.024 1.00 0.00 C ATOM 819 C LYS A 59 8.045 -25.883 -2.658 1.00 0.00 C ATOM 820 O LYS A 59 6.894 -26.163 -2.325 1.00 0.00 O ATOM 821 CB LYS A 59 9.109 -26.265 -4.889 1.00 0.00 C ATOM 822 CG LYS A 59 8.775 -26.174 -6.368 1.00 0.00 C ATOM 823 CD LYS A 59 7.401 -26.749 -6.666 1.00 0.00 C ATOM 824 CE LYS A 59 6.959 -26.430 -8.086 1.00 0.00 C ATOM 825 NZ LYS A 59 6.626 -24.988 -8.253 1.00 0.00 N ATOM 0 H LYS A 59 10.079 -24.110 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 59 7.385 -25.039 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.177 -26.095 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.901 -27.276 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.811 -25.132 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.528 -26.710 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.419 -27.829 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.676 -26.346 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.752 -26.703 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.089 -27.035 -8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.111 -24.852 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.032 -24.675 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.503 -24.429 -8.270 1.00 0.00 H new ATOM 839 N ALA A 60 9.096 -26.089 -1.872 1.00 0.00 N ATOM 840 CA ALA A 60 8.954 -26.666 -0.541 1.00 0.00 C ATOM 841 C ALA A 60 7.901 -25.920 0.271 1.00 0.00 C ATOM 842 O ALA A 60 7.195 -26.516 1.086 1.00 0.00 O ATOM 843 CB ALA A 60 10.291 -26.653 0.186 1.00 0.00 C ATOM 0 H ALA A 60 10.056 -25.865 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 60 8.624 -27.699 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.170 -27.087 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.018 -27.237 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.644 -25.626 0.280 1.00 0.00 H new ATOM 849 N ILE A 61 7.801 -24.615 0.045 1.00 0.00 N ATOM 850 CA ILE A 61 6.833 -23.789 0.756 1.00 0.00 C ATOM 851 C ILE A 61 5.404 -24.197 0.413 1.00 0.00 C ATOM 852 O ILE A 61 4.526 -24.201 1.275 1.00 0.00 O ATOM 853 CB ILE A 61 7.021 -22.295 0.430 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.387 -21.811 0.920 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.905 -21.472 1.056 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.925 -20.631 0.142 1.00 0.00 C ATOM 0 H ILE A 61 8.378 -24.107 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 61 7.007 -23.945 1.821 1.00 0.00 H new ATOM 0 HB ILE A 61 6.978 -22.166 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.310 -21.537 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.099 -22.634 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.052 -20.419 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.944 -21.803 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.919 -21.604 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.896 -20.342 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.034 -20.906 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.233 -19.793 0.227 1.00 0.00 H new ATOM 868 N GLU A 62 5.180 -24.541 -0.852 1.00 0.00 N ATOM 869 CA GLU A 62 3.858 -24.952 -1.308 1.00 0.00 C ATOM 870 C GLU A 62 3.679 -26.461 -1.169 1.00 0.00 C ATOM 871 O GLU A 62 2.569 -26.978 -1.294 1.00 0.00 O ATOM 872 CB GLU A 62 3.643 -24.533 -2.764 1.00 0.00 C ATOM 873 CG GLU A 62 3.055 -23.141 -2.917 1.00 0.00 C ATOM 874 CD GLU A 62 2.591 -22.856 -4.332 1.00 0.00 C ATOM 875 OE1 GLU A 62 2.793 -23.722 -5.209 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.027 -21.766 -4.562 1.00 0.00 O ATOM 0 H GLU A 62 5.897 -24.543 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 62 3.116 -24.457 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.597 -24.575 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.981 -25.253 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.214 -23.029 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.802 -22.401 -2.628 1.00 0.00 H new ATOM 883 N GLU A 63 4.780 -27.160 -0.911 1.00 0.00 N ATOM 884 CA GLU A 63 4.744 -28.610 -0.757 1.00 0.00 C ATOM 885 C GLU A 63 4.579 -28.997 0.710 1.00 0.00 C ATOM 886 O GLU A 63 3.571 -29.588 1.097 1.00 0.00 O ATOM 887 CB GLU A 63 6.022 -29.236 -1.320 1.00 0.00 C ATOM 888 CG GLU A 63 6.241 -28.949 -2.797 1.00 0.00 C ATOM 889 CD GLU A 63 5.723 -30.060 -3.690 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.628 -30.589 -3.405 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.413 -30.400 -4.674 1.00 0.00 O ATOM 0 H GLU A 63 5.706 -26.747 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 63 3.886 -28.988 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.877 -28.865 -0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.985 -30.315 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.744 -28.015 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.306 -28.806 -2.982 1.00 0.00 H new ATOM 898 N VAL A 64 5.577 -28.660 1.521 1.00 0.00 N ATOM 899 CA VAL A 64 5.543 -28.971 2.945 1.00 0.00 C ATOM 900 C VAL A 64 4.290 -28.403 3.602 1.00 0.00 C ATOM 901 O VAL A 64 3.597 -29.097 4.346 1.00 0.00 O ATOM 902 CB VAL A 64 6.785 -28.420 3.670 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.841 -28.935 5.100 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.051 -28.788 2.911 1.00 0.00 C ATOM 0 H VAL A 64 6.419 -28.172 1.216 1.00 0.00 H new ATOM 0 HA VAL A 64 5.534 -30.058 3.031 1.00 0.00 H new ATOM 0 HB VAL A 64 6.713 -27.333 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.725 -28.535 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.948 -28.616 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.890 -30.024 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.919 -28.391 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.133 -29.873 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.010 -28.364 1.908 1.00 0.00 H new ATOM 914 N HIS A 65 4.005 -27.135 3.322 1.00 0.00 N ATOM 915 CA HIS A 65 2.834 -26.472 3.885 1.00 0.00 C ATOM 916 C HIS A 65 1.581 -27.320 3.684 1.00 0.00 C ATOM 917 O HIS A 65 1.196 -27.618 2.554 1.00 0.00 O ATOM 918 CB HIS A 65 2.642 -25.097 3.244 1.00 0.00 C ATOM 919 CG HIS A 65 1.426 -24.373 3.733 1.00 0.00 C ATOM 920 ND1 HIS A 65 1.453 -23.480 4.783 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.142 -24.413 3.308 1.00 0.00 C ATOM 922 CE1 HIS A 65 0.237 -23.003 4.984 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.577 -23.553 4.101 1.00 0.00 N ATOM 0 H HIS A 65 4.569 -26.546 2.709 1.00 0.00 H new ATOM 0 HA HIS A 65 2.998 -26.345 4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.523 -24.486 3.443 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.574 -25.216 2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.245 -25.010 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.043 -22.286 5.741 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.577 -23.369 4.021 1.00 0.00 H new ATOM 931 N GLY A 66 0.949 -27.705 4.788 1.00 0.00 N ATOM 932 CA GLY A 66 -0.253 -28.514 4.711 1.00 0.00 C ATOM 933 C GLY A 66 0.025 -29.987 4.939 1.00 0.00 C ATOM 934 O GLY A 66 -0.863 -30.826 4.783 1.00 0.00 O ATOM 0 H GLY A 66 1.248 -27.471 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.971 -28.164 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.715 -28.382 3.732 1.00 0.00 H new ATOM 938 N LYS A 67 1.261 -30.305 5.306 1.00 0.00 N ATOM 939 CA LYS A 67 1.655 -31.686 5.555 1.00 0.00 C ATOM 940 C LYS A 67 1.315 -32.100 6.984 1.00 0.00 C ATOM 941 O LYS A 67 0.735 -31.324 7.743 1.00 0.00 O ATOM 942 CB LYS A 67 3.155 -31.864 5.305 1.00 0.00 C ATOM 943 CG LYS A 67 3.505 -32.087 3.844 1.00 0.00 C ATOM 944 CD LYS A 67 4.519 -33.206 3.678 1.00 0.00 C ATOM 945 CE LYS A 67 5.866 -32.830 4.276 1.00 0.00 C ATOM 946 NZ LYS A 67 6.989 -33.129 3.345 1.00 0.00 N ATOM 0 H LYS A 67 2.009 -29.624 5.438 1.00 0.00 H new ATOM 0 HA LYS A 67 1.100 -32.325 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.682 -30.981 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.514 -32.711 5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.601 -32.328 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.905 -31.166 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.146 -34.111 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.641 -33.434 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.871 -31.768 4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.013 -33.373 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.689 -32.361 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.440 -34.024 3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.623 -33.211 2.375 1.00 0.00 H new ATOM 960 N SER A 68 1.682 -33.326 7.343 1.00 0.00 N ATOM 961 CA SER A 68 1.413 -33.843 8.680 1.00 0.00 C ATOM 962 C SER A 68 2.694 -34.357 9.330 1.00 0.00 C ATOM 963 O SER A 68 3.596 -34.847 8.651 1.00 0.00 O ATOM 964 CB SER A 68 0.374 -34.965 8.616 1.00 0.00 C ATOM 965 OG SER A 68 0.847 -36.055 7.845 1.00 0.00 O ATOM 0 H SER A 68 2.166 -33.979 6.727 1.00 0.00 H new ATOM 0 HA SER A 68 1.020 -33.028 9.287 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.138 -35.304 9.625 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.551 -34.584 8.183 1.00 0.00 H new ATOM 0 HG SER A 68 0.166 -36.759 7.821 1.00 0.00 H new ATOM 971 N PHE A 69 2.765 -34.242 10.652 1.00 0.00 N ATOM 972 CA PHE A 69 3.935 -34.694 11.397 1.00 0.00 C ATOM 973 C PHE A 69 3.683 -34.626 12.900 1.00 0.00 C ATOM 974 O PHE A 69 3.097 -33.666 13.399 1.00 0.00 O ATOM 975 CB PHE A 69 5.156 -33.845 11.035 1.00 0.00 C ATOM 976 CG PHE A 69 6.428 -34.321 11.675 1.00 0.00 C ATOM 977 CD1 PHE A 69 7.061 -35.467 11.223 1.00 0.00 C ATOM 978 CD2 PHE A 69 6.991 -33.621 12.731 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.232 -35.907 11.810 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.162 -34.056 13.322 1.00 0.00 C ATOM 981 CZ PHE A 69 8.783 -35.201 12.861 1.00 0.00 C ATOM 0 H PHE A 69 2.027 -33.840 11.230 1.00 0.00 H new ATOM 0 HA PHE A 69 4.128 -35.732 11.125 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.281 -33.846 9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.972 -32.813 11.334 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.634 -36.024 10.402 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.509 -32.726 13.096 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.716 -36.802 11.447 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.591 -33.502 14.143 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.698 -35.543 13.322 1.00 0.00 H new ATOM 991 N ALA A 70 4.129 -35.653 13.616 1.00 0.00 N ATOM 992 CA ALA A 70 3.953 -35.710 15.062 1.00 0.00 C ATOM 993 C ALA A 70 2.484 -35.563 15.442 1.00 0.00 C ATOM 994 O ALA A 70 2.152 -34.920 16.438 1.00 0.00 O ATOM 995 CB ALA A 70 4.786 -34.631 15.738 1.00 0.00 C ATOM 0 H ALA A 70 4.615 -36.457 13.218 1.00 0.00 H new ATOM 0 HA ALA A 70 4.294 -36.686 15.407 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.645 -34.685 16.817 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.839 -34.783 15.502 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.472 -33.651 15.380 1.00 0.00 H new ATOM 1001 N ASN A 71 1.607 -36.163 14.643 1.00 0.00 N ATOM 1002 CA ASN A 71 0.173 -36.097 14.896 1.00 0.00 C ATOM 1003 C ASN A 71 -0.317 -34.652 14.881 1.00 0.00 C ATOM 1004 O ASN A 71 -1.320 -34.320 15.512 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.159 -36.745 16.242 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.344 -38.246 16.131 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.285 -38.722 15.496 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.557 -39.000 16.750 1.00 0.00 N ATOM 0 H ASN A 71 1.865 -36.700 13.815 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.336 -36.643 14.101 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.640 -36.532 16.952 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.069 -36.298 16.643 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.485 -40.017 16.710 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.321 -38.562 17.265 1.00 0.00 H new ATOM 1015 N GLN A 72 0.398 -33.798 14.155 1.00 0.00 N ATOM 1016 CA GLN A 72 0.037 -32.389 14.057 1.00 0.00 C ATOM 1017 C GLN A 72 0.289 -31.859 12.650 1.00 0.00 C ATOM 1018 O GLN A 72 1.240 -32.251 11.973 1.00 0.00 O ATOM 1019 CB GLN A 72 0.828 -31.566 15.075 1.00 0.00 C ATOM 1020 CG GLN A 72 0.579 -31.978 16.517 1.00 0.00 C ATOM 1021 CD GLN A 72 1.635 -31.448 17.466 1.00 0.00 C ATOM 1022 OE1 GLN A 72 2.729 -31.070 17.047 1.00 0.00 O ATOM 1023 NE2 GLN A 72 1.313 -31.418 18.754 1.00 0.00 N ATOM 0 H GLN A 72 1.231 -34.058 13.626 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.027 -32.297 14.275 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.892 -31.660 14.858 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.571 -30.513 14.957 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.400 -31.616 16.830 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.552 -33.066 16.581 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.394 -31.741 19.058 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.984 -31.072 19.440 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.583 -30.945 12.197 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.475 -30.341 10.865 1.00 0.00 C ATOM 1034 C PRO A 73 0.720 -29.401 10.750 1.00 0.00 C ATOM 1035 O PRO A 73 0.886 -28.488 11.560 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.784 -29.561 10.723 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.202 -29.264 12.122 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.740 -30.431 12.949 1.00 0.00 C ATOM 0 HA PRO A 73 -0.323 -31.091 10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.639 -28.645 10.150 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.540 -30.147 10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.754 -28.335 12.474 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.283 -29.142 12.189 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.460 -30.124 13.957 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.520 -31.185 13.051 1.00 0.00 H new ATOM 1046 N LEU A 74 1.551 -29.630 9.739 1.00 0.00 N ATOM 1047 CA LEU A 74 2.732 -28.803 9.517 1.00 0.00 C ATOM 1048 C LEU A 74 2.371 -27.530 8.757 1.00 0.00 C ATOM 1049 O LEU A 74 1.319 -27.453 8.123 1.00 0.00 O ATOM 1050 CB LEU A 74 3.792 -29.589 8.743 1.00 0.00 C ATOM 1051 CG LEU A 74 4.599 -30.604 9.553 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.642 -31.279 8.676 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.259 -29.929 10.747 1.00 0.00 C ATOM 0 H LEU A 74 1.429 -30.381 9.060 1.00 0.00 H new ATOM 0 HA LEU A 74 3.135 -28.522 10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.300 -30.115 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.486 -28.879 8.293 1.00 0.00 H new ATOM 0 HG LEU A 74 3.917 -31.369 9.924 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.206 -31.998 9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.147 -31.796 7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.321 -30.527 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.829 -30.666 11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.928 -29.143 10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.493 -29.494 11.388 1.00 0.00 H new ATOM 1065 N GLU A 75 3.251 -26.537 8.825 1.00 0.00 N ATOM 1066 CA GLU A 75 3.024 -25.269 8.142 1.00 0.00 C ATOM 1067 C GLU A 75 4.348 -24.601 7.781 1.00 0.00 C ATOM 1068 O GLU A 75 5.227 -24.440 8.628 1.00 0.00 O ATOM 1069 CB GLU A 75 2.191 -24.333 9.020 1.00 0.00 C ATOM 1070 CG GLU A 75 2.054 -22.929 8.454 1.00 0.00 C ATOM 1071 CD GLU A 75 0.894 -22.165 9.063 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.284 -22.681 10.023 1.00 0.00 O ATOM 1073 OE2 GLU A 75 0.596 -21.053 8.580 1.00 0.00 O ATOM 0 H GLU A 75 4.127 -26.586 9.345 1.00 0.00 H new ATOM 0 HA GLU A 75 2.477 -25.474 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.197 -24.761 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.647 -24.274 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.979 -22.379 8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.918 -22.988 7.374 1.00 0.00 H new ATOM 1080 N VAL A 76 4.484 -24.213 6.517 1.00 0.00 N ATOM 1081 CA VAL A 76 5.700 -23.563 6.043 1.00 0.00 C ATOM 1082 C VAL A 76 5.372 -22.369 5.152 1.00 0.00 C ATOM 1083 O VAL A 76 4.462 -22.429 4.326 1.00 0.00 O ATOM 1084 CB VAL A 76 6.593 -24.544 5.260 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.983 -23.958 5.062 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.667 -25.883 5.977 1.00 0.00 C ATOM 0 H VAL A 76 3.767 -24.338 5.803 1.00 0.00 H new ATOM 0 HA VAL A 76 6.240 -23.218 6.925 1.00 0.00 H new ATOM 0 HB VAL A 76 6.151 -24.708 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.600 -24.665 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.908 -23.025 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.438 -23.764 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.302 -26.564 5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.086 -25.740 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.666 -26.306 6.062 1.00 0.00 H new ATOM 1096 N VAL A 77 6.122 -21.285 5.325 1.00 0.00 N ATOM 1097 CA VAL A 77 5.913 -20.077 4.536 1.00 0.00 C ATOM 1098 C VAL A 77 7.240 -19.411 4.189 1.00 0.00 C ATOM 1099 O VAL A 77 8.294 -19.806 4.688 1.00 0.00 O ATOM 1100 CB VAL A 77 5.023 -19.066 5.282 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.700 -19.706 5.674 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.745 -18.523 6.506 1.00 0.00 C ATOM 0 H VAL A 77 6.880 -21.219 6.005 1.00 0.00 H new ATOM 0 HA VAL A 77 5.412 -20.382 3.617 1.00 0.00 H new ATOM 0 HB VAL A 77 4.811 -18.232 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.085 -18.976 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.178 -20.042 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.888 -20.559 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.102 -17.810 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.988 -19.345 7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.663 -18.025 6.195 1.00 0.00 H new ATOM 1112 N TYR A 78 7.181 -18.399 3.332 1.00 0.00 N ATOM 1113 CA TYR A 78 8.378 -17.678 2.916 1.00 0.00 C ATOM 1114 C TYR A 78 8.896 -16.786 4.042 1.00 0.00 C ATOM 1115 O TYR A 78 8.353 -15.711 4.296 1.00 0.00 O ATOM 1116 CB TYR A 78 8.086 -16.833 1.675 1.00 0.00 C ATOM 1117 CG TYR A 78 8.772 -17.336 0.425 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.153 -17.483 0.378 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.039 -17.664 -0.709 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.784 -17.942 -0.762 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.662 -18.125 -1.853 1.00 0.00 C ATOM 1122 CZ TYR A 78 10.034 -18.262 -1.875 1.00 0.00 C ATOM 1123 OH TYR A 78 10.658 -18.719 -3.013 1.00 0.00 O ATOM 0 H TYR A 78 6.316 -18.059 2.911 1.00 0.00 H new ATOM 0 HA TYR A 78 9.147 -18.412 2.674 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.010 -16.812 1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.399 -15.806 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.743 -17.234 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.964 -17.557 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.858 -18.050 -0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.077 -18.377 -2.725 1.00 0.00 H new ATOM 0 HH TYR A 78 11.476 -19.200 -2.767 1.00 0.00 H new ATOM 1133 N SER A 79 9.949 -17.242 4.712 1.00 0.00 N ATOM 1134 CA SER A 79 10.539 -16.489 5.812 1.00 0.00 C ATOM 1135 C SER A 79 10.841 -15.054 5.388 1.00 0.00 C ATOM 1136 O SER A 79 11.662 -14.815 4.503 1.00 0.00 O ATOM 1137 CB SER A 79 11.821 -17.170 6.295 1.00 0.00 C ATOM 1138 OG SER A 79 11.859 -18.528 5.893 1.00 0.00 O ATOM 0 H SER A 79 10.411 -18.129 4.512 1.00 0.00 H new ATOM 0 HA SER A 79 9.819 -16.464 6.630 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.688 -16.645 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.883 -17.107 7.381 1.00 0.00 H new ATOM 0 HG SER A 79 12.689 -18.941 6.212 1.00 0.00 H new ATOM 1144 N LYS A 80 10.169 -14.102 6.027 1.00 0.00 N ATOM 1145 CA LYS A 80 10.364 -12.690 5.720 1.00 0.00 C ATOM 1146 C LYS A 80 11.744 -12.221 6.168 1.00 0.00 C ATOM 1147 O LYS A 80 12.303 -11.279 5.606 1.00 0.00 O ATOM 1148 CB LYS A 80 9.282 -11.846 6.397 1.00 0.00 C ATOM 1149 CG LYS A 80 7.869 -12.319 6.103 1.00 0.00 C ATOM 1150 CD LYS A 80 7.529 -12.181 4.629 1.00 0.00 C ATOM 1151 CE LYS A 80 6.199 -12.840 4.299 1.00 0.00 C ATOM 1152 NZ LYS A 80 5.075 -12.236 5.066 1.00 0.00 N ATOM 0 H LYS A 80 9.484 -14.283 6.761 1.00 0.00 H new ATOM 0 HA LYS A 80 10.291 -12.565 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.444 -11.860 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.385 -10.811 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.763 -13.361 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.160 -11.741 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.489 -11.125 4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.319 -12.633 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.002 -12.745 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.257 -13.906 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.175 -12.642 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.198 -12.437 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.066 -11.207 4.916 1.00 0.00 H new TER 1166 LYS A 80