USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 967 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 116 SER OG : rot 169:sc= 1.19 USER MOD Set 1.2: A 118 ASN : amide:sc= -0.0257! C(o=1.2!,f=-6.6!) USER MOD Set 2.1: A 81 ASN : amide:sc= 0.0576 K(o=0.77,f=-4!) USER MOD Set 2.2: A 83 SER OG : rot 104:sc= 0.715 USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 1.01 USER MOD Set 3.2: A 105 SER OG : rot 107:sc= 1.2 USER MOD Set 4.1: A 22 GLN : amide:sc= -1.3 K(o=-1.1,f=-1.7!) USER MOD Set 4.2: A 62 ASN :FLIP amide:sc= 0.173 F(o=-1.7,f=-1.1) USER MOD Set 5.1: A 19 HIS : no HD1:sc= 0.694 K(o=1.5,f=-3.4!) USER MOD Set 5.2: A 21 SER OG : rot -18:sc= 0.821 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 13 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.69) USER MOD Single : A 16 LYS NZ :NH3+ -139:sc= 1.03 (180deg=-1.31!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.183 USER MOD Single : A 25 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.3!) USER MOD Single : A 26 THR OG1 : rot -75:sc= 0.543 USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.06) USER MOD Single : A 40 THR OG1 : rot -90:sc= 0 USER MOD Single : A 42 MET CE :methyl -159:sc= -2.11 (180deg=-3.58!) USER MOD Single : A 45 GLN : amide:sc= 0.0783 K(o=0.078,f=-2.2!) USER MOD Single : A 47 GLN : amide:sc= 0.615 K(o=0.62,f=-5.8!) USER MOD Single : A 56 SER OG : rot -81:sc= 1.22 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -143:sc= 1.22 (180deg=-0.126!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -137:sc= 1.02 USER MOD Single : A 71 THR OG1 : rot 135:sc= 1.02 USER MOD Single : A 75 MET CE :methyl 167:sc= -0.0121 (180deg=-0.228) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.19) USER MOD Single : A 84 THR OG1 : rot -148:sc= -1.35 USER MOD Single : A 86 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.7!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.132 USER MOD Single : A 91 LYS NZ :NH3+ -167:sc=-0.00384 (180deg=-0.153) USER MOD Single : A 93 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 96 THR OG1 : rot -25:sc= 0.0396 USER MOD Single : A 98 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0437 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 160:sc= -0.0192 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN :FLIP amide:sc= -0.816 F(o=-2.3!,f=-0.82) USER MOD Single : A 123 GLN : amide:sc= -4.47 X(o=-4.5,f=-4!) USER MOD Single : A 124 LYS NZ :NH3+ -169:sc= -0.0493 (180deg=-0.202) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 16.088 -11.094 -3.538 1.00 0.00 N ATOM 47 CA LEU A 4 16.589 -10.496 -4.762 1.00 0.00 C ATOM 48 C LEU A 4 17.305 -9.225 -4.342 1.00 0.00 C ATOM 49 O LEU A 4 17.384 -8.967 -3.146 1.00 0.00 O ATOM 50 CB LEU A 4 15.436 -10.211 -5.773 1.00 0.00 C ATOM 51 CG LEU A 4 14.828 -11.393 -6.552 1.00 0.00 C ATOM 52 CD1 LEU A 4 13.925 -12.258 -5.667 1.00 0.00 C ATOM 53 CD2 LEU A 4 14.070 -10.900 -7.775 1.00 0.00 C ATOM 0 HA LEU A 4 17.268 -11.170 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.628 -9.725 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.806 -9.490 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 4 15.654 -12.021 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.517 -13.080 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.506 -12.660 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.108 -11.651 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.649 -11.751 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.265 -10.235 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 4 14.751 -10.360 -8.432 1.00 0.00 H new ATOM 65 N GLU A 5 17.825 -8.437 -5.247 1.00 0.00 N ATOM 66 CA GLU A 5 18.584 -7.284 -4.799 1.00 0.00 C ATOM 67 C GLU A 5 17.997 -5.949 -5.200 1.00 0.00 C ATOM 68 O GLU A 5 17.319 -5.819 -6.221 1.00 0.00 O ATOM 69 CB GLU A 5 20.064 -7.397 -5.128 1.00 0.00 C ATOM 70 CG GLU A 5 20.712 -8.591 -4.453 1.00 0.00 C ATOM 71 CD GLU A 5 22.198 -8.522 -4.427 1.00 0.00 C ATOM 72 OE1 GLU A 5 22.843 -8.939 -5.396 1.00 0.00 O ATOM 73 OE2 GLU A 5 22.755 -8.080 -3.405 1.00 0.00 O ATOM 0 H GLU A 5 17.747 -8.557 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 5 18.498 -7.303 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.189 -7.480 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.574 -6.485 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.341 -8.666 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.407 -9.501 -4.970 1.00 0.00 H new ATOM 80 N CYS A 6 18.262 -4.965 -4.379 1.00 0.00 N ATOM 81 CA CYS A 6 17.730 -3.640 -4.532 1.00 0.00 C ATOM 82 C CYS A 6 18.781 -2.602 -4.125 1.00 0.00 C ATOM 83 O CYS A 6 19.727 -2.944 -3.397 1.00 0.00 O ATOM 84 CB CYS A 6 16.488 -3.523 -3.654 1.00 0.00 C ATOM 85 SG CYS A 6 16.761 -4.050 -1.927 1.00 0.00 S ATOM 0 H CYS A 6 18.869 -5.068 -3.566 1.00 0.00 H new ATOM 0 HA CYS A 6 17.464 -3.455 -5.573 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.146 -2.488 -3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.689 -4.125 -4.087 1.00 0.00 H new ATOM 90 N PRO A 7 18.660 -1.331 -4.599 1.00 0.00 N ATOM 91 CA PRO A 7 19.584 -0.240 -4.217 1.00 0.00 C ATOM 92 C PRO A 7 19.521 0.093 -2.702 1.00 0.00 C ATOM 93 O PRO A 7 18.574 -0.300 -2.005 1.00 0.00 O ATOM 94 CB PRO A 7 19.127 0.954 -5.077 1.00 0.00 C ATOM 95 CG PRO A 7 18.300 0.356 -6.163 1.00 0.00 C ATOM 96 CD PRO A 7 17.649 -0.853 -5.564 1.00 0.00 C ATOM 0 HA PRO A 7 20.625 -0.513 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.549 1.666 -4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.980 1.496 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 7 17.553 1.065 -6.521 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.917 0.084 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.709 -0.603 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.424 -1.606 -6.319 1.00 0.00 H new ATOM 104 N GLN A 8 20.525 0.820 -2.227 1.00 0.00 N ATOM 105 CA GLN A 8 20.734 1.119 -0.797 1.00 0.00 C ATOM 106 C GLN A 8 19.553 1.833 -0.119 1.00 0.00 C ATOM 107 O GLN A 8 19.289 1.603 1.064 1.00 0.00 O ATOM 108 CB GLN A 8 22.016 1.940 -0.611 1.00 0.00 C ATOM 109 CG GLN A 8 21.984 3.292 -1.306 1.00 0.00 C ATOM 110 CD GLN A 8 23.272 4.051 -1.184 1.00 0.00 C ATOM 111 OE1 GLN A 8 23.465 4.831 -0.244 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.151 3.854 -2.122 1.00 0.00 N ATOM 0 H GLN A 8 21.237 1.232 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 8 20.824 0.151 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.187 2.093 0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.862 1.367 -0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.755 3.145 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.176 3.890 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.951 3.201 -2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.041 4.352 -2.100 1.00 0.00 H new ATOM 121 N ASP A 9 18.836 2.670 -0.861 1.00 0.00 N ATOM 122 CA ASP A 9 17.716 3.452 -0.285 1.00 0.00 C ATOM 123 C ASP A 9 16.480 2.619 -0.103 1.00 0.00 C ATOM 124 O ASP A 9 15.466 3.096 0.419 1.00 0.00 O ATOM 125 CB ASP A 9 17.367 4.687 -1.127 1.00 0.00 C ATOM 126 CG ASP A 9 18.363 5.805 -1.006 1.00 0.00 C ATOM 127 OD1 ASP A 9 19.436 5.743 -1.654 1.00 0.00 O ATOM 128 OD2 ASP A 9 18.079 6.795 -0.298 1.00 0.00 O ATOM 0 H ASP A 9 18.998 2.833 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 9 18.069 3.784 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.291 4.392 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 9 16.385 5.054 -0.828 1.00 0.00 H new ATOM 133 N TRP A 10 16.553 1.395 -0.520 1.00 0.00 N ATOM 134 CA TRP A 10 15.450 0.504 -0.435 1.00 0.00 C ATOM 135 C TRP A 10 15.649 -0.456 0.707 1.00 0.00 C ATOM 136 O TRP A 10 16.643 -1.190 0.764 1.00 0.00 O ATOM 137 CB TRP A 10 15.247 -0.214 -1.759 1.00 0.00 C ATOM 138 CG TRP A 10 14.947 0.731 -2.858 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.838 1.432 -3.596 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.662 1.102 -3.323 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.187 2.219 -4.493 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.849 2.038 -4.346 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.372 0.739 -2.974 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.795 2.612 -5.019 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.328 1.311 -3.646 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.546 2.240 -4.658 1.00 0.00 C ATOM 0 H TRP A 10 17.391 0.986 -0.933 1.00 0.00 H new ATOM 0 HA TRP A 10 14.541 1.070 -0.233 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.143 -0.784 -2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.431 -0.930 -1.663 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.911 1.375 -3.488 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.631 2.843 -5.166 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.195 0.020 -2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 12.959 3.333 -5.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.316 1.037 -3.387 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.698 2.674 -5.167 1.00 0.00 H new ATOM 157 N LEU A 11 14.715 -0.424 1.618 1.00 0.00 N ATOM 158 CA LEU A 11 14.732 -1.228 2.830 1.00 0.00 C ATOM 159 C LEU A 11 14.424 -2.630 2.503 1.00 0.00 C ATOM 160 O LEU A 11 13.271 -2.991 2.269 1.00 0.00 O ATOM 161 CB LEU A 11 13.735 -0.701 3.879 1.00 0.00 C ATOM 162 CG LEU A 11 14.076 0.594 4.636 1.00 0.00 C ATOM 163 CD1 LEU A 11 14.464 1.710 3.695 1.00 0.00 C ATOM 164 CD2 LEU A 11 12.882 1.018 5.461 1.00 0.00 C ATOM 0 H LEU A 11 13.894 0.176 1.544 1.00 0.00 H new ATOM 0 HA LEU A 11 15.731 -1.162 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.778 -0.550 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.587 -1.487 4.619 1.00 0.00 H new ATOM 0 HG LEU A 11 14.931 0.393 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.697 2.606 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.339 1.411 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.636 1.919 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.119 1.936 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.030 1.192 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.635 0.232 6.175 1.00 0.00 H new ATOM 176 N SER A 12 15.433 -3.393 2.464 1.00 0.00 N ATOM 177 CA SER A 12 15.348 -4.757 2.122 1.00 0.00 C ATOM 178 C SER A 12 14.737 -5.594 3.251 1.00 0.00 C ATOM 179 O SER A 12 15.353 -5.823 4.311 1.00 0.00 O ATOM 180 CB SER A 12 16.713 -5.229 1.670 1.00 0.00 C ATOM 181 OG SER A 12 17.742 -4.829 2.581 1.00 0.00 O ATOM 0 H SER A 12 16.380 -3.080 2.676 1.00 0.00 H new ATOM 0 HA SER A 12 14.658 -4.892 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.710 -6.315 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.927 -4.827 0.680 1.00 0.00 H new ATOM 0 HG SER A 12 18.609 -5.153 2.258 1.00 0.00 H new ATOM 187 N HIS A 13 13.518 -6.018 3.023 1.00 0.00 N ATOM 188 CA HIS A 13 12.761 -6.766 3.967 1.00 0.00 C ATOM 189 C HIS A 13 12.361 -8.064 3.324 1.00 0.00 C ATOM 190 O HIS A 13 11.419 -8.101 2.536 1.00 0.00 O ATOM 191 CB HIS A 13 11.530 -5.939 4.396 1.00 0.00 C ATOM 192 CG HIS A 13 10.499 -6.645 5.246 1.00 0.00 C ATOM 193 ND1 HIS A 13 10.609 -6.795 6.603 1.00 0.00 N ATOM 194 CD2 HIS A 13 9.298 -7.182 4.913 1.00 0.00 C ATOM 195 CE1 HIS A 13 9.524 -7.384 7.067 1.00 0.00 C ATOM 196 NE2 HIS A 13 8.721 -7.627 6.062 1.00 0.00 N ATOM 0 H HIS A 13 13.022 -5.842 2.149 1.00 0.00 H new ATOM 0 HA HIS A 13 13.345 -6.983 4.861 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.882 -5.065 4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.036 -5.573 3.496 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.878 -7.245 3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.331 -7.625 8.102 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.809 -8.078 6.130 1.00 0.00 H new ATOM 205 N ARG A 14 13.087 -9.104 3.684 1.00 0.00 N ATOM 206 CA ARG A 14 12.940 -10.480 3.191 1.00 0.00 C ATOM 207 C ARG A 14 12.903 -10.575 1.653 1.00 0.00 C ATOM 208 O ARG A 14 13.907 -10.819 0.999 1.00 0.00 O ATOM 209 CB ARG A 14 11.674 -11.156 3.697 1.00 0.00 C ATOM 210 CG ARG A 14 11.363 -11.085 5.172 1.00 0.00 C ATOM 211 CD ARG A 14 10.100 -11.897 5.442 1.00 0.00 C ATOM 212 NE ARG A 14 9.104 -11.692 4.367 1.00 0.00 N ATOM 213 CZ ARG A 14 7.808 -11.887 4.432 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.223 -12.305 5.541 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.094 -11.675 3.359 1.00 0.00 N ATOM 0 H ARG A 14 13.840 -9.018 4.366 1.00 0.00 H new ATOM 0 HA ARG A 14 13.826 -10.985 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.830 -10.725 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.726 -12.209 3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.197 -11.478 5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.220 -10.049 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.351 -12.955 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.672 -11.605 6.401 1.00 0.00 H new ATOM 0 HE ARG A 14 9.466 -11.361 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.781 -12.485 6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.213 -12.448 5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.546 -11.366 2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.084 -11.819 3.382 1.00 0.00 H new ATOM 229 N ASP A 15 11.726 -10.331 1.113 1.00 0.00 N ATOM 230 CA ASP A 15 11.392 -10.582 -0.259 1.00 0.00 C ATOM 231 C ASP A 15 10.929 -9.317 -0.990 1.00 0.00 C ATOM 232 O ASP A 15 10.414 -9.415 -2.088 1.00 0.00 O ATOM 233 CB ASP A 15 10.285 -11.670 -0.302 1.00 0.00 C ATOM 234 CG ASP A 15 8.956 -11.278 0.372 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.953 -10.742 1.515 1.00 0.00 O ATOM 236 OD2 ASP A 15 7.884 -11.499 -0.218 1.00 0.00 O ATOM 0 H ASP A 15 10.951 -9.937 1.646 1.00 0.00 H new ATOM 0 HA ASP A 15 12.288 -10.925 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.086 -11.922 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.665 -12.572 0.177 1.00 0.00 H new ATOM 241 N LYS A 16 11.082 -8.136 -0.376 1.00 0.00 N ATOM 242 CA LYS A 16 10.827 -6.838 -1.062 1.00 0.00 C ATOM 243 C LYS A 16 11.715 -5.774 -0.457 1.00 0.00 C ATOM 244 O LYS A 16 12.298 -5.987 0.598 1.00 0.00 O ATOM 245 CB LYS A 16 9.357 -6.314 -1.007 1.00 0.00 C ATOM 246 CG LYS A 16 8.295 -7.092 -1.801 1.00 0.00 C ATOM 247 CD LYS A 16 7.779 -8.308 -1.071 1.00 0.00 C ATOM 248 CE LYS A 16 7.054 -7.941 0.197 1.00 0.00 C ATOM 249 NZ LYS A 16 6.686 -9.134 0.949 1.00 0.00 N ATOM 0 H LYS A 16 11.381 -8.041 0.595 1.00 0.00 H new ATOM 0 HA LYS A 16 11.042 -7.035 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.047 -6.292 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.354 -5.283 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.459 -6.429 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.720 -7.402 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.107 -8.865 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.613 -8.969 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.687 -7.300 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.159 -7.368 -0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.727 -9.019 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.708 -9.962 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.359 -9.274 1.729 1.00 0.00 H new ATOM 263 N CYS A 17 11.819 -4.642 -1.107 1.00 0.00 N ATOM 264 CA CYS A 17 12.602 -3.533 -0.577 1.00 0.00 C ATOM 265 C CYS A 17 11.759 -2.270 -0.619 1.00 0.00 C ATOM 266 O CYS A 17 11.151 -2.003 -1.623 1.00 0.00 O ATOM 267 CB CYS A 17 13.886 -3.357 -1.363 1.00 0.00 C ATOM 268 SG CYS A 17 14.969 -4.818 -1.386 1.00 0.00 S ATOM 0 H CYS A 17 11.374 -4.455 -2.006 1.00 0.00 H new ATOM 0 HA CYS A 17 12.880 -3.745 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.634 -3.092 -2.390 1.00 0.00 H new ATOM 0 HB3 CYS A 17 14.440 -2.517 -0.944 1.00 0.00 H new ATOM 273 N PHE A 18 11.727 -1.504 0.461 1.00 0.00 N ATOM 274 CA PHE A 18 10.775 -0.385 0.589 1.00 0.00 C ATOM 275 C PHE A 18 11.442 1.001 0.565 1.00 0.00 C ATOM 276 O PHE A 18 12.605 1.145 0.906 1.00 0.00 O ATOM 277 CB PHE A 18 10.010 -0.537 1.914 1.00 0.00 C ATOM 278 CG PHE A 18 9.392 -1.901 2.116 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.719 -2.542 1.091 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.504 -2.543 3.333 1.00 0.00 C ATOM 281 CE1 PHE A 18 8.177 -3.797 1.276 1.00 0.00 C ATOM 282 CE2 PHE A 18 8.957 -3.796 3.525 1.00 0.00 C ATOM 283 CZ PHE A 18 8.295 -4.425 2.493 1.00 0.00 C ATOM 0 H PHE A 18 12.343 -1.627 1.265 1.00 0.00 H new ATOM 0 HA PHE A 18 10.113 -0.434 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.691 -0.333 2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.223 0.216 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.617 -2.053 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.026 -2.059 4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.660 -4.286 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.048 -4.283 4.484 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.871 -5.407 2.640 1.00 0.00 H new ATOM 293 N HIS A 19 10.676 2.003 0.145 1.00 0.00 N ATOM 294 CA HIS A 19 11.073 3.410 0.179 1.00 0.00 C ATOM 295 C HIS A 19 9.852 4.229 0.597 1.00 0.00 C ATOM 296 O HIS A 19 8.865 4.295 -0.142 1.00 0.00 O ATOM 297 CB HIS A 19 11.540 3.929 -1.206 1.00 0.00 C ATOM 298 CG HIS A 19 12.174 5.298 -1.150 1.00 0.00 C ATOM 299 ND1 HIS A 19 11.496 6.475 -1.434 1.00 0.00 N ATOM 300 CD2 HIS A 19 13.439 5.668 -0.835 1.00 0.00 C ATOM 301 CE1 HIS A 19 12.321 7.491 -1.294 1.00 0.00 C ATOM 302 NE2 HIS A 19 13.497 7.031 -0.932 1.00 0.00 N ATOM 0 H HIS A 19 9.741 1.858 -0.237 1.00 0.00 H new ATOM 0 HA HIS A 19 11.906 3.509 0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.255 3.223 -1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.685 3.960 -1.881 1.00 0.00 H new ATOM 0 HD2 HIS A 19 14.250 5.010 -0.559 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.072 8.530 -1.451 1.00 0.00 H new ATOM 0 HE2 HIS A 19 14.324 7.601 -0.752 1.00 0.00 H new ATOM 311 N VAL A 20 9.913 4.832 1.748 1.00 0.00 N ATOM 312 CA VAL A 20 8.827 5.656 2.250 1.00 0.00 C ATOM 313 C VAL A 20 9.065 7.094 1.836 1.00 0.00 C ATOM 314 O VAL A 20 9.872 7.805 2.437 1.00 0.00 O ATOM 315 CB VAL A 20 8.718 5.591 3.794 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.596 6.502 4.294 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.486 4.159 4.251 1.00 0.00 C ATOM 0 H VAL A 20 10.715 4.773 2.375 1.00 0.00 H new ATOM 0 HA VAL A 20 7.896 5.277 1.828 1.00 0.00 H new ATOM 0 HB VAL A 20 9.658 5.941 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.536 6.442 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.803 7.530 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.648 6.184 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.412 4.132 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.561 3.783 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.319 3.535 3.928 1.00 0.00 H new ATOM 327 N SER A 21 8.450 7.486 0.778 1.00 0.00 N ATOM 328 CA SER A 21 8.567 8.817 0.299 1.00 0.00 C ATOM 329 C SER A 21 7.664 9.758 1.132 1.00 0.00 C ATOM 330 O SER A 21 6.444 9.679 1.048 1.00 0.00 O ATOM 331 CB SER A 21 8.219 8.827 -1.178 1.00 0.00 C ATOM 332 OG SER A 21 9.009 7.841 -1.872 1.00 0.00 O ATOM 0 H SER A 21 7.846 6.887 0.215 1.00 0.00 H new ATOM 0 HA SER A 21 9.587 9.185 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.158 8.617 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.404 9.816 -1.598 1.00 0.00 H new ATOM 0 HG SER A 21 9.777 7.588 -1.318 1.00 0.00 H new ATOM 338 N GLN A 22 8.286 10.632 1.932 1.00 0.00 N ATOM 339 CA GLN A 22 7.578 11.582 2.834 1.00 0.00 C ATOM 340 C GLN A 22 7.109 12.848 2.122 1.00 0.00 C ATOM 341 O GLN A 22 6.719 13.830 2.764 1.00 0.00 O ATOM 342 CB GLN A 22 8.425 11.944 4.064 1.00 0.00 C ATOM 343 CG GLN A 22 8.418 10.900 5.182 1.00 0.00 C ATOM 344 CD GLN A 22 7.043 10.727 5.861 1.00 0.00 C ATOM 345 OE1 GLN A 22 6.718 9.656 6.340 1.00 0.00 O ATOM 346 NE2 GLN A 22 6.243 11.792 5.938 1.00 0.00 N ATOM 0 H GLN A 22 9.302 10.710 1.981 1.00 0.00 H new ATOM 0 HA GLN A 22 6.687 11.053 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.454 12.105 3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.066 12.890 4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.735 9.941 4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.153 11.183 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.535 12.680 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.339 11.718 6.405 1.00 0.00 H new ATOM 355 N VAL A 23 7.115 12.814 0.834 1.00 0.00 N ATOM 356 CA VAL A 23 6.651 13.926 0.031 1.00 0.00 C ATOM 357 C VAL A 23 5.325 13.544 -0.550 1.00 0.00 C ATOM 358 O VAL A 23 5.058 12.363 -0.697 1.00 0.00 O ATOM 359 CB VAL A 23 7.652 14.345 -1.085 1.00 0.00 C ATOM 360 CG1 VAL A 23 8.858 15.015 -0.469 1.00 0.00 C ATOM 361 CG2 VAL A 23 8.096 13.146 -1.913 1.00 0.00 C ATOM 0 H VAL A 23 7.442 12.015 0.291 1.00 0.00 H new ATOM 0 HA VAL A 23 6.560 14.803 0.671 1.00 0.00 H new ATOM 0 HB VAL A 23 7.142 15.044 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.554 15.306 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.541 15.901 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.350 14.322 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.794 13.474 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.585 12.418 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.227 12.687 -2.384 1.00 0.00 H new ATOM 371 N SER A 24 4.497 14.486 -0.852 1.00 0.00 N ATOM 372 CA SER A 24 3.166 14.151 -1.287 1.00 0.00 C ATOM 373 C SER A 24 2.979 14.205 -2.805 1.00 0.00 C ATOM 374 O SER A 24 3.721 14.886 -3.531 1.00 0.00 O ATOM 375 CB SER A 24 2.120 14.983 -0.535 1.00 0.00 C ATOM 376 OG SER A 24 2.261 14.795 0.877 1.00 0.00 O ATOM 0 H SER A 24 4.705 15.484 -0.810 1.00 0.00 H new ATOM 0 HA SER A 24 3.011 13.103 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.238 16.038 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.118 14.692 -0.850 1.00 0.00 H new ATOM 0 HG SER A 24 1.589 15.332 1.347 1.00 0.00 H new ATOM 382 N ASN A 25 2.041 13.409 -3.245 1.00 0.00 N ATOM 383 CA ASN A 25 1.577 13.273 -4.612 1.00 0.00 C ATOM 384 C ASN A 25 0.199 12.682 -4.573 1.00 0.00 C ATOM 385 O ASN A 25 -0.325 12.385 -3.493 1.00 0.00 O ATOM 386 CB ASN A 25 2.435 12.293 -5.426 1.00 0.00 C ATOM 387 CG ASN A 25 3.602 12.889 -6.187 1.00 0.00 C ATOM 388 OD1 ASN A 25 3.640 14.081 -6.479 1.00 0.00 O ATOM 389 ND2 ASN A 25 4.500 12.038 -6.630 1.00 0.00 N ATOM 0 H ASN A 25 1.538 12.787 -2.612 1.00 0.00 H new ATOM 0 HA ASN A 25 1.619 14.260 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.822 11.533 -4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.787 11.783 -6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.255 12.362 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.442 11.053 -6.370 1.00 0.00 H new ATOM 396 N THR A 26 -0.403 12.512 -5.708 1.00 0.00 N ATOM 397 CA THR A 26 -1.603 11.749 -5.766 1.00 0.00 C ATOM 398 C THR A 26 -1.192 10.271 -5.864 1.00 0.00 C ATOM 399 O THR A 26 0.001 9.976 -6.117 1.00 0.00 O ATOM 400 CB THR A 26 -2.495 12.168 -6.957 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.782 12.031 -8.190 1.00 0.00 O ATOM 402 CG2 THR A 26 -2.951 13.612 -6.804 1.00 0.00 C ATOM 0 H THR A 26 -0.084 12.890 -6.600 1.00 0.00 H new ATOM 0 HA THR A 26 -2.203 11.923 -4.873 1.00 0.00 H new ATOM 0 HB THR A 26 -3.367 11.514 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.134 12.761 -8.276 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.578 13.888 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.522 13.717 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.080 14.267 -6.768 1.00 0.00 H new ATOM 410 N TRP A 27 -2.127 9.363 -5.680 1.00 0.00 N ATOM 411 CA TRP A 27 -1.833 7.928 -5.670 1.00 0.00 C ATOM 412 C TRP A 27 -1.147 7.490 -6.970 1.00 0.00 C ATOM 413 O TRP A 27 -0.109 6.822 -6.949 1.00 0.00 O ATOM 414 CB TRP A 27 -3.135 7.140 -5.438 1.00 0.00 C ATOM 415 CG TRP A 27 -2.984 5.650 -5.414 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.727 4.864 -4.340 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.100 4.777 -6.527 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.665 3.554 -4.723 1.00 0.00 N ATOM 419 CE2 TRP A 27 -2.892 3.475 -6.067 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.353 4.988 -7.863 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -2.934 2.377 -6.917 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.395 3.927 -8.711 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.187 2.624 -8.244 1.00 0.00 C ATOM 0 H TRP A 27 -3.111 9.588 -5.533 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.140 7.717 -4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.571 7.460 -4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.845 7.404 -6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.591 5.221 -3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.479 2.764 -4.105 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.517 5.989 -8.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.775 1.374 -6.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.592 4.091 -9.760 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.226 1.799 -8.939 1.00 0.00 H new ATOM 434 N GLU A 28 -1.704 7.921 -8.088 1.00 0.00 N ATOM 435 CA GLU A 28 -1.191 7.546 -9.398 1.00 0.00 C ATOM 436 C GLU A 28 0.193 8.162 -9.648 1.00 0.00 C ATOM 437 O GLU A 28 1.050 7.552 -10.277 1.00 0.00 O ATOM 438 CB GLU A 28 -2.187 7.931 -10.487 1.00 0.00 C ATOM 439 CG GLU A 28 -3.564 7.337 -10.288 1.00 0.00 C ATOM 440 CD GLU A 28 -4.516 7.666 -11.393 1.00 0.00 C ATOM 441 OE1 GLU A 28 -5.074 8.776 -11.399 1.00 0.00 O ATOM 442 OE2 GLU A 28 -4.769 6.805 -12.253 1.00 0.00 O ATOM 0 H GLU A 28 -2.518 8.536 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.067 6.463 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.271 9.017 -10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.798 7.609 -11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.476 6.254 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.975 7.697 -9.345 1.00 0.00 H new ATOM 449 N GLU A 29 0.420 9.350 -9.107 1.00 0.00 N ATOM 450 CA GLU A 29 1.712 10.006 -9.232 1.00 0.00 C ATOM 451 C GLU A 29 2.783 9.251 -8.475 1.00 0.00 C ATOM 452 O GLU A 29 3.853 8.995 -9.016 1.00 0.00 O ATOM 453 CB GLU A 29 1.653 11.441 -8.761 1.00 0.00 C ATOM 454 CG GLU A 29 0.980 12.373 -9.715 1.00 0.00 C ATOM 455 CD GLU A 29 0.812 13.755 -9.145 1.00 0.00 C ATOM 456 OE1 GLU A 29 0.218 13.879 -8.046 1.00 0.00 O ATOM 457 OE2 GLU A 29 1.236 14.740 -9.795 1.00 0.00 O ATOM 0 H GLU A 29 -0.273 9.879 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 29 1.971 10.007 -10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.129 11.477 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.668 11.794 -8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.563 12.431 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.002 11.972 -9.982 1.00 0.00 H new ATOM 464 N GLY A 30 2.488 8.874 -7.234 1.00 0.00 N ATOM 465 CA GLY A 30 3.443 8.109 -6.447 1.00 0.00 C ATOM 466 C GLY A 30 3.735 6.785 -7.092 1.00 0.00 C ATOM 467 O GLY A 30 4.861 6.320 -7.075 1.00 0.00 O ATOM 0 H GLY A 30 1.609 9.083 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.367 8.676 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.048 7.949 -5.444 1.00 0.00 H new ATOM 471 N LEU A 31 2.707 6.219 -7.703 1.00 0.00 N ATOM 472 CA LEU A 31 2.803 4.989 -8.471 1.00 0.00 C ATOM 473 C LEU A 31 3.893 5.159 -9.559 1.00 0.00 C ATOM 474 O LEU A 31 4.840 4.363 -9.637 1.00 0.00 O ATOM 475 CB LEU A 31 1.388 4.706 -9.081 1.00 0.00 C ATOM 476 CG LEU A 31 1.166 3.529 -10.064 1.00 0.00 C ATOM 477 CD1 LEU A 31 1.593 3.882 -11.480 1.00 0.00 C ATOM 478 CD2 LEU A 31 1.886 2.286 -9.590 1.00 0.00 C ATOM 0 H LEU A 31 1.765 6.609 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 31 3.094 4.139 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.703 4.558 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.073 5.615 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 31 0.095 3.327 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.420 3.029 -12.136 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.013 4.734 -11.833 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.653 4.136 -11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.715 1.474 -10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.955 2.488 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.508 1.998 -8.609 1.00 0.00 H new ATOM 490 N VAL A 32 3.775 6.240 -10.338 1.00 0.00 N ATOM 491 CA VAL A 32 4.750 6.572 -11.393 1.00 0.00 C ATOM 492 C VAL A 32 6.145 6.786 -10.794 1.00 0.00 C ATOM 493 O VAL A 32 7.148 6.343 -11.355 1.00 0.00 O ATOM 494 CB VAL A 32 4.325 7.841 -12.192 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.356 8.199 -13.259 1.00 0.00 C ATOM 496 CG2 VAL A 32 2.968 7.636 -12.835 1.00 0.00 C ATOM 0 H VAL A 32 3.008 6.908 -10.259 1.00 0.00 H new ATOM 0 HA VAL A 32 4.778 5.727 -12.081 1.00 0.00 H new ATOM 0 HB VAL A 32 4.264 8.668 -11.485 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.029 9.088 -13.797 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.317 8.395 -12.785 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.459 7.369 -13.958 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.688 8.533 -13.388 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.013 6.788 -13.518 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.225 7.440 -12.062 1.00 0.00 H new ATOM 506 N ASP A 33 6.195 7.436 -9.641 1.00 0.00 N ATOM 507 CA ASP A 33 7.460 7.673 -8.941 1.00 0.00 C ATOM 508 C ASP A 33 8.154 6.386 -8.578 1.00 0.00 C ATOM 509 O ASP A 33 9.378 6.293 -8.657 1.00 0.00 O ATOM 510 CB ASP A 33 7.298 8.585 -7.718 1.00 0.00 C ATOM 511 CG ASP A 33 7.490 10.059 -8.029 1.00 0.00 C ATOM 512 OD1 ASP A 33 8.656 10.527 -8.006 1.00 0.00 O ATOM 513 OD2 ASP A 33 6.498 10.783 -8.289 1.00 0.00 O ATOM 0 H ASP A 33 5.375 7.812 -9.165 1.00 0.00 H new ATOM 0 HA ASP A 33 8.100 8.204 -9.646 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.304 8.438 -7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.017 8.287 -6.955 1.00 0.00 H new ATOM 518 N CYS A 34 7.387 5.385 -8.219 1.00 0.00 N ATOM 519 CA CYS A 34 7.941 4.089 -7.924 1.00 0.00 C ATOM 520 C CYS A 34 8.467 3.450 -9.208 1.00 0.00 C ATOM 521 O CYS A 34 9.600 2.921 -9.236 1.00 0.00 O ATOM 522 CB CYS A 34 6.899 3.200 -7.272 1.00 0.00 C ATOM 523 SG CYS A 34 6.157 3.895 -5.760 1.00 0.00 S ATOM 0 H CYS A 34 6.373 5.445 -8.124 1.00 0.00 H new ATOM 0 HA CYS A 34 8.768 4.208 -7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.106 3.001 -7.993 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.357 2.241 -7.030 1.00 0.00 H new ATOM 528 N ASP A 35 7.683 3.562 -10.297 1.00 0.00 N ATOM 529 CA ASP A 35 8.072 3.014 -11.614 1.00 0.00 C ATOM 530 C ASP A 35 9.369 3.621 -12.088 1.00 0.00 C ATOM 531 O ASP A 35 10.131 2.988 -12.818 1.00 0.00 O ATOM 532 CB ASP A 35 7.002 3.222 -12.703 1.00 0.00 C ATOM 533 CG ASP A 35 5.818 2.293 -12.608 1.00 0.00 C ATOM 534 OD1 ASP A 35 5.999 1.052 -12.754 1.00 0.00 O ATOM 535 OD2 ASP A 35 4.687 2.775 -12.483 1.00 0.00 O ATOM 0 H ASP A 35 6.775 4.027 -10.292 1.00 0.00 H new ATOM 0 HA ASP A 35 8.187 1.941 -11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.645 4.250 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.468 3.096 -13.680 1.00 0.00 H new ATOM 540 N GLY A 36 9.628 4.835 -11.639 1.00 0.00 N ATOM 541 CA GLY A 36 10.843 5.544 -11.969 1.00 0.00 C ATOM 542 C GLY A 36 12.118 4.799 -11.573 1.00 0.00 C ATOM 543 O GLY A 36 13.167 4.974 -12.201 1.00 0.00 O ATOM 0 H GLY A 36 8.996 5.357 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.862 5.733 -13.042 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.832 6.515 -11.474 1.00 0.00 H new ATOM 547 N LYS A 37 12.043 3.971 -10.544 1.00 0.00 N ATOM 548 CA LYS A 37 13.219 3.197 -10.129 1.00 0.00 C ATOM 549 C LYS A 37 13.067 1.743 -10.553 1.00 0.00 C ATOM 550 O LYS A 37 13.856 0.883 -10.146 1.00 0.00 O ATOM 551 CB LYS A 37 13.461 3.221 -8.602 1.00 0.00 C ATOM 552 CG LYS A 37 13.474 4.591 -7.930 1.00 0.00 C ATOM 553 CD LYS A 37 12.070 5.096 -7.629 1.00 0.00 C ATOM 554 CE LYS A 37 12.096 6.406 -6.862 1.00 0.00 C ATOM 555 NZ LYS A 37 12.705 7.501 -7.650 1.00 0.00 N ATOM 0 H LYS A 37 11.204 3.814 -9.986 1.00 0.00 H new ATOM 0 HA LYS A 37 14.072 3.669 -10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.689 2.616 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.416 2.735 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.044 4.534 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.985 5.306 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.524 5.232 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.530 4.346 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.079 6.683 -6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.655 6.272 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.596 8.400 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.716 7.305 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.231 7.569 -8.573 1.00 0.00 H new ATOM 569 N GLY A 38 12.065 1.465 -11.370 1.00 0.00 N ATOM 570 CA GLY A 38 11.777 0.093 -11.743 1.00 0.00 C ATOM 571 C GLY A 38 11.110 -0.621 -10.593 1.00 0.00 C ATOM 572 O GLY A 38 11.119 -1.847 -10.494 1.00 0.00 O ATOM 0 H GLY A 38 11.445 2.162 -11.783 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.130 0.073 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.699 -0.420 -12.016 1.00 0.00 H new ATOM 576 N ALA A 39 10.539 0.160 -9.724 1.00 0.00 N ATOM 577 CA ALA A 39 9.909 -0.318 -8.545 1.00 0.00 C ATOM 578 C ALA A 39 8.403 -0.221 -8.702 1.00 0.00 C ATOM 579 O ALA A 39 7.913 0.219 -9.741 1.00 0.00 O ATOM 580 CB ALA A 39 10.406 0.463 -7.342 1.00 0.00 C ATOM 0 H ALA A 39 10.502 1.174 -9.826 1.00 0.00 H new ATOM 0 HA ALA A 39 10.162 -1.366 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.919 0.092 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.485 0.340 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.172 1.520 -7.472 1.00 0.00 H new ATOM 586 N THR A 40 7.696 -0.667 -7.730 1.00 0.00 N ATOM 587 CA THR A 40 6.271 -0.657 -7.728 1.00 0.00 C ATOM 588 C THR A 40 5.754 0.086 -6.502 1.00 0.00 C ATOM 589 O THR A 40 6.511 0.376 -5.584 1.00 0.00 O ATOM 590 CB THR A 40 5.752 -2.101 -7.739 1.00 0.00 C ATOM 591 OG1 THR A 40 6.661 -2.946 -7.006 1.00 0.00 O ATOM 592 CG2 THR A 40 5.607 -2.616 -9.146 1.00 0.00 C ATOM 0 H THR A 40 8.102 -1.064 -6.883 1.00 0.00 H new ATOM 0 HA THR A 40 5.910 -0.142 -8.618 1.00 0.00 H new ATOM 0 HB THR A 40 4.770 -2.115 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.340 -3.303 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.238 -3.641 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.902 -1.989 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.576 -2.591 -9.644 1.00 0.00 H new ATOM 600 N LEU A 41 4.510 0.449 -6.517 1.00 0.00 N ATOM 601 CA LEU A 41 3.895 1.086 -5.378 1.00 0.00 C ATOM 602 C LEU A 41 3.532 -0.041 -4.400 1.00 0.00 C ATOM 603 O LEU A 41 2.866 -0.986 -4.800 1.00 0.00 O ATOM 604 CB LEU A 41 2.660 1.878 -5.851 1.00 0.00 C ATOM 605 CG LEU A 41 1.987 2.818 -4.848 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.932 3.908 -4.383 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.747 3.438 -5.454 1.00 0.00 C ATOM 0 H LEU A 41 3.887 0.316 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 41 4.554 1.799 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.953 2.469 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.913 1.161 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 41 1.705 2.222 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.419 4.556 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.800 3.456 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.258 4.497 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.281 4.104 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.021 4.006 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.044 2.652 -5.729 1.00 0.00 H new ATOM 619 N MET A 42 3.987 0.104 -3.144 1.00 0.00 N ATOM 620 CA MET A 42 3.964 -0.929 -2.047 1.00 0.00 C ATOM 621 C MET A 42 2.910 -2.048 -2.174 1.00 0.00 C ATOM 622 O MET A 42 1.703 -1.782 -2.213 1.00 0.00 O ATOM 623 CB MET A 42 3.820 -0.244 -0.684 1.00 0.00 C ATOM 624 CG MET A 42 3.773 -1.200 0.505 1.00 0.00 C ATOM 625 SD MET A 42 5.265 -2.165 0.669 1.00 0.00 S ATOM 626 CE MET A 42 4.781 -3.307 1.956 1.00 0.00 C ATOM 0 H MET A 42 4.405 0.980 -2.832 1.00 0.00 H new ATOM 0 HA MET A 42 4.921 -1.440 -2.147 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.654 0.444 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.910 0.356 -0.688 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.612 -0.629 1.419 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.921 -1.871 0.394 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.672 -3.717 2.433 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.180 -2.784 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.196 -4.118 1.522 1.00 0.00 H new ATOM 636 N LEU A 43 3.397 -3.289 -2.168 1.00 0.00 N ATOM 637 CA LEU A 43 2.586 -4.498 -2.245 1.00 0.00 C ATOM 638 C LEU A 43 2.795 -5.298 -0.949 1.00 0.00 C ATOM 639 O LEU A 43 3.859 -5.872 -0.726 1.00 0.00 O ATOM 640 CB LEU A 43 2.968 -5.399 -3.462 1.00 0.00 C ATOM 641 CG LEU A 43 2.757 -4.858 -4.903 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.455 -4.163 -5.050 1.00 0.00 C ATOM 643 CD2 LEU A 43 3.881 -3.997 -5.410 1.00 0.00 C ATOM 0 H LEU A 43 4.396 -3.483 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 43 1.545 -4.200 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.022 -5.658 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.402 -6.326 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 43 2.750 -5.747 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.349 -3.801 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.645 -4.857 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.413 -3.320 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.654 -3.661 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.999 -3.131 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.806 -4.574 -5.418 1.00 0.00 H new ATOM 655 N ILE A 44 1.793 -5.322 -0.110 1.00 0.00 N ATOM 656 CA ILE A 44 1.894 -5.948 1.206 1.00 0.00 C ATOM 657 C ILE A 44 1.463 -7.411 1.130 1.00 0.00 C ATOM 658 O ILE A 44 0.417 -7.725 0.554 1.00 0.00 O ATOM 659 CB ILE A 44 0.978 -5.215 2.214 1.00 0.00 C ATOM 660 CG1 ILE A 44 1.209 -3.704 2.125 1.00 0.00 C ATOM 661 CG2 ILE A 44 1.247 -5.705 3.644 1.00 0.00 C ATOM 662 CD1 ILE A 44 0.248 -2.897 2.944 1.00 0.00 C ATOM 0 H ILE A 44 0.880 -4.912 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 44 2.931 -5.887 1.535 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.060 -5.434 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.225 -3.481 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.133 -3.395 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.593 -5.178 4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.052 -6.776 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.287 -5.510 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.474 -1.837 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.770 -3.089 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.340 -3.177 3.993 1.00 0.00 H new ATOM 674 N GLN A 45 2.264 -8.292 1.684 1.00 0.00 N ATOM 675 CA GLN A 45 1.956 -9.704 1.695 1.00 0.00 C ATOM 676 C GLN A 45 1.381 -10.144 3.060 1.00 0.00 C ATOM 677 O GLN A 45 0.368 -10.862 3.122 1.00 0.00 O ATOM 678 CB GLN A 45 3.219 -10.501 1.376 1.00 0.00 C ATOM 679 CG GLN A 45 3.025 -11.999 1.342 1.00 0.00 C ATOM 680 CD GLN A 45 4.330 -12.732 1.186 1.00 0.00 C ATOM 681 OE1 GLN A 45 4.976 -13.068 2.166 1.00 0.00 O ATOM 682 NE2 GLN A 45 4.727 -13.001 -0.028 1.00 0.00 N ATOM 0 H GLN A 45 3.145 -8.051 2.138 1.00 0.00 H new ATOM 0 HA GLN A 45 1.197 -9.898 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.604 -10.176 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.980 -10.263 2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.535 -12.322 2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.361 -12.260 0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.164 -12.706 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.600 -13.506 -0.179 1.00 0.00 H new ATOM 691 N ASP A 46 2.001 -9.705 4.143 1.00 0.00 N ATOM 692 CA ASP A 46 1.600 -10.151 5.488 1.00 0.00 C ATOM 693 C ASP A 46 1.647 -9.029 6.533 1.00 0.00 C ATOM 694 O ASP A 46 1.934 -7.876 6.213 1.00 0.00 O ATOM 695 CB ASP A 46 2.402 -11.388 5.960 1.00 0.00 C ATOM 696 CG ASP A 46 3.901 -11.177 6.083 1.00 0.00 C ATOM 697 OD1 ASP A 46 4.357 -10.545 7.069 1.00 0.00 O ATOM 698 OD2 ASP A 46 4.649 -11.689 5.219 1.00 0.00 O ATOM 0 H ASP A 46 2.779 -9.045 4.129 1.00 0.00 H new ATOM 0 HA ASP A 46 0.556 -10.450 5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.015 -11.704 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.222 -12.206 5.262 1.00 0.00 H new ATOM 703 N GLN A 47 1.342 -9.377 7.785 1.00 0.00 N ATOM 704 CA GLN A 47 1.215 -8.398 8.871 1.00 0.00 C ATOM 705 C GLN A 47 2.579 -7.843 9.320 1.00 0.00 C ATOM 706 O GLN A 47 2.700 -6.634 9.584 1.00 0.00 O ATOM 707 CB GLN A 47 0.477 -9.018 10.064 1.00 0.00 C ATOM 708 CG GLN A 47 -0.604 -8.129 10.711 1.00 0.00 C ATOM 709 CD GLN A 47 -0.117 -6.753 11.136 1.00 0.00 C ATOM 710 OE1 GLN A 47 0.370 -6.567 12.244 1.00 0.00 O ATOM 711 NE2 GLN A 47 -0.285 -5.770 10.273 1.00 0.00 N ATOM 0 H GLN A 47 1.176 -10.341 8.076 1.00 0.00 H new ATOM 0 HA GLN A 47 0.636 -7.560 8.483 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.010 -9.947 9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.211 -9.281 10.826 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.426 -8.008 10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.006 -8.644 11.584 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.694 -5.959 9.358 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.006 -4.821 10.521 1.00 0.00 H new ATOM 720 N GLU A 48 3.610 -8.699 9.375 1.00 0.00 N ATOM 721 CA GLU A 48 4.952 -8.263 9.801 1.00 0.00 C ATOM 722 C GLU A 48 5.504 -7.203 8.884 1.00 0.00 C ATOM 723 O GLU A 48 6.324 -6.368 9.304 1.00 0.00 O ATOM 724 CB GLU A 48 5.956 -9.401 9.889 1.00 0.00 C ATOM 725 CG GLU A 48 5.812 -10.315 11.072 1.00 0.00 C ATOM 726 CD GLU A 48 6.977 -11.261 11.158 1.00 0.00 C ATOM 727 OE1 GLU A 48 8.072 -10.821 11.594 1.00 0.00 O ATOM 728 OE2 GLU A 48 6.839 -12.447 10.787 1.00 0.00 O ATOM 0 H GLU A 48 3.544 -9.688 9.133 1.00 0.00 H new ATOM 0 HA GLU A 48 4.813 -7.857 10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.878 -9.999 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.959 -8.974 9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.747 -9.726 11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.884 -10.880 10.990 1.00 0.00 H new ATOM 735 N GLU A 49 5.058 -7.242 7.643 1.00 0.00 N ATOM 736 CA GLU A 49 5.433 -6.277 6.638 1.00 0.00 C ATOM 737 C GLU A 49 5.051 -4.907 7.103 1.00 0.00 C ATOM 738 O GLU A 49 5.893 -4.048 7.249 1.00 0.00 O ATOM 739 CB GLU A 49 4.704 -6.592 5.360 1.00 0.00 C ATOM 740 CG GLU A 49 4.920 -8.007 4.941 1.00 0.00 C ATOM 741 CD GLU A 49 5.530 -8.134 3.616 1.00 0.00 C ATOM 742 OE1 GLU A 49 4.801 -8.091 2.622 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.751 -8.321 3.529 1.00 0.00 O ATOM 0 H GLU A 49 4.415 -7.958 7.304 1.00 0.00 H new ATOM 0 HA GLU A 49 6.509 -6.317 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.638 -6.410 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.045 -5.922 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.556 -8.502 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.963 -8.529 4.944 1.00 0.00 H new ATOM 750 N LEU A 50 3.787 -4.736 7.438 1.00 0.00 N ATOM 751 CA LEU A 50 3.318 -3.453 7.904 1.00 0.00 C ATOM 752 C LEU A 50 3.877 -3.075 9.239 1.00 0.00 C ATOM 753 O LEU A 50 3.997 -1.906 9.538 1.00 0.00 O ATOM 754 CB LEU A 50 1.819 -3.308 7.872 1.00 0.00 C ATOM 755 CG LEU A 50 1.224 -3.159 6.489 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.282 -3.027 6.581 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.845 -1.942 5.799 1.00 0.00 C ATOM 0 H LEU A 50 3.074 -5.465 7.396 1.00 0.00 H new ATOM 0 HA LEU A 50 3.710 -2.739 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.374 -4.180 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.540 -2.439 8.468 1.00 0.00 H new ATOM 0 HG LEU A 50 1.445 -4.046 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.700 -2.920 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.697 -3.917 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.535 -2.149 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.418 -1.832 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.636 -1.046 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.923 -2.080 5.719 1.00 0.00 H new ATOM 769 N ARG A 51 4.232 -4.053 10.033 1.00 0.00 N ATOM 770 CA ARG A 51 4.899 -3.777 11.291 1.00 0.00 C ATOM 771 C ARG A 51 6.261 -3.159 11.016 1.00 0.00 C ATOM 772 O ARG A 51 6.671 -2.225 11.691 1.00 0.00 O ATOM 773 CB ARG A 51 5.012 -5.038 12.144 1.00 0.00 C ATOM 774 CG ARG A 51 3.677 -5.545 12.653 1.00 0.00 C ATOM 775 CD ARG A 51 3.037 -4.543 13.604 1.00 0.00 C ATOM 776 NE ARG A 51 1.697 -4.951 13.996 1.00 0.00 N ATOM 777 CZ ARG A 51 0.964 -4.381 14.948 1.00 0.00 C ATOM 778 NH1 ARG A 51 1.447 -3.371 15.674 1.00 0.00 N ATOM 779 NH2 ARG A 51 -0.247 -4.827 15.179 1.00 0.00 N ATOM 0 H ARG A 51 4.074 -5.042 9.838 1.00 0.00 H new ATOM 0 HA ARG A 51 4.304 -3.065 11.862 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.490 -5.822 11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.663 -4.835 12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.010 -5.730 11.811 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.817 -6.498 13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.659 -4.437 14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.994 -3.564 13.126 1.00 0.00 H new ATOM 0 HE ARG A 51 1.285 -5.741 13.499 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.391 -3.025 15.502 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.872 -2.945 16.401 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.618 -5.603 14.631 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.818 -4.398 15.907 1.00 0.00 H new ATOM 793 N PHE A 52 6.909 -3.642 9.966 1.00 0.00 N ATOM 794 CA PHE A 52 8.183 -3.112 9.527 1.00 0.00 C ATOM 795 C PHE A 52 7.957 -1.726 8.921 1.00 0.00 C ATOM 796 O PHE A 52 8.824 -0.851 9.001 1.00 0.00 O ATOM 797 CB PHE A 52 8.836 -4.063 8.505 1.00 0.00 C ATOM 798 CG PHE A 52 10.209 -3.650 8.041 1.00 0.00 C ATOM 799 CD1 PHE A 52 11.333 -4.008 8.762 1.00 0.00 C ATOM 800 CD2 PHE A 52 10.375 -2.911 6.881 1.00 0.00 C ATOM 801 CE1 PHE A 52 12.593 -3.640 8.339 1.00 0.00 C ATOM 802 CE2 PHE A 52 11.631 -2.541 6.454 1.00 0.00 C ATOM 803 CZ PHE A 52 12.743 -2.904 7.185 1.00 0.00 C ATOM 0 H PHE A 52 6.562 -4.414 9.396 1.00 0.00 H new ATOM 0 HA PHE A 52 8.861 -3.026 10.376 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.901 -5.058 8.946 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.183 -4.142 7.636 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.223 -4.584 9.669 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.509 -2.621 6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.461 -3.929 8.912 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.745 -1.967 5.547 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.728 -2.612 6.853 1.00 0.00 H new ATOM 813 N LEU A 53 6.776 -1.526 8.320 1.00 0.00 N ATOM 814 CA LEU A 53 6.421 -0.223 7.808 1.00 0.00 C ATOM 815 C LEU A 53 6.326 0.737 8.939 1.00 0.00 C ATOM 816 O LEU A 53 7.026 1.706 8.955 1.00 0.00 O ATOM 817 CB LEU A 53 5.129 -0.198 6.935 1.00 0.00 C ATOM 818 CG LEU A 53 5.291 -0.488 5.422 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.236 0.498 4.789 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.762 -1.893 5.139 1.00 0.00 C ATOM 0 H LEU A 53 6.068 -2.248 8.184 1.00 0.00 H new ATOM 0 HA LEU A 53 7.217 0.073 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.430 -0.926 7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.667 0.783 7.043 1.00 0.00 H new ATOM 0 HG LEU A 53 4.298 -0.382 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.335 0.276 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.845 1.508 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.213 0.425 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.856 -2.035 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.730 -2.054 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.040 -2.606 5.537 1.00 0.00 H new ATOM 832 N LEU A 54 5.527 0.406 9.931 1.00 0.00 N ATOM 833 CA LEU A 54 5.347 1.252 11.114 1.00 0.00 C ATOM 834 C LEU A 54 6.700 1.595 11.763 1.00 0.00 C ATOM 835 O LEU A 54 6.948 2.758 12.130 1.00 0.00 O ATOM 836 CB LEU A 54 4.427 0.564 12.131 1.00 0.00 C ATOM 837 CG LEU A 54 3.070 0.092 11.596 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.189 -0.437 12.716 1.00 0.00 C ATOM 839 CD2 LEU A 54 2.366 1.189 10.807 1.00 0.00 C ATOM 0 H LEU A 54 4.980 -0.455 9.950 1.00 0.00 H new ATOM 0 HA LEU A 54 4.881 2.183 10.792 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.953 -0.298 12.543 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.250 1.254 12.956 1.00 0.00 H new ATOM 0 HG LEU A 54 3.260 -0.732 10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.234 -0.764 12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.683 -1.280 13.200 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.017 0.352 13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.408 0.818 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.200 2.052 11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.986 1.483 9.960 1.00 0.00 H new ATOM 851 N ASP A 55 7.584 0.595 11.835 1.00 0.00 N ATOM 852 CA ASP A 55 8.929 0.767 12.401 1.00 0.00 C ATOM 853 C ASP A 55 9.771 1.735 11.596 1.00 0.00 C ATOM 854 O ASP A 55 10.571 2.479 12.156 1.00 0.00 O ATOM 855 CB ASP A 55 9.703 -0.564 12.527 1.00 0.00 C ATOM 856 CG ASP A 55 9.198 -1.488 13.612 1.00 0.00 C ATOM 857 OD1 ASP A 55 9.007 -1.028 14.760 1.00 0.00 O ATOM 858 OD2 ASP A 55 9.050 -2.710 13.365 1.00 0.00 O ATOM 0 H ASP A 55 7.391 -0.351 11.506 1.00 0.00 H new ATOM 0 HA ASP A 55 8.760 1.173 13.399 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.656 -1.087 11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.753 -0.341 12.718 1.00 0.00 H new ATOM 863 N SER A 56 9.621 1.717 10.296 1.00 0.00 N ATOM 864 CA SER A 56 10.407 2.582 9.441 1.00 0.00 C ATOM 865 C SER A 56 9.742 3.951 9.247 1.00 0.00 C ATOM 866 O SER A 56 10.431 4.977 9.085 1.00 0.00 O ATOM 867 CB SER A 56 10.707 1.888 8.112 1.00 0.00 C ATOM 868 OG SER A 56 9.534 1.356 7.523 1.00 0.00 O ATOM 0 H SER A 56 8.963 1.114 9.802 1.00 0.00 H new ATOM 0 HA SER A 56 11.359 2.776 9.935 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.169 2.599 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.428 1.087 8.274 1.00 0.00 H new ATOM 0 HG SER A 56 9.320 0.495 7.940 1.00 0.00 H new ATOM 874 N ILE A 57 8.414 3.962 9.272 1.00 0.00 N ATOM 875 CA ILE A 57 7.634 5.178 9.171 1.00 0.00 C ATOM 876 C ILE A 57 7.952 6.076 10.357 1.00 0.00 C ATOM 877 O ILE A 57 8.282 7.263 10.190 1.00 0.00 O ATOM 878 CB ILE A 57 6.087 4.898 9.189 1.00 0.00 C ATOM 879 CG1 ILE A 57 5.601 4.058 7.994 1.00 0.00 C ATOM 880 CG2 ILE A 57 5.318 6.186 9.261 1.00 0.00 C ATOM 881 CD1 ILE A 57 5.832 4.673 6.648 1.00 0.00 C ATOM 0 H ILE A 57 7.849 3.118 9.364 1.00 0.00 H new ATOM 0 HA ILE A 57 7.894 5.649 8.223 1.00 0.00 H new ATOM 0 HB ILE A 57 5.898 4.305 10.084 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.100 3.089 8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.534 3.870 8.112 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.249 5.972 9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.590 6.722 10.170 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.555 6.801 8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.455 4.005 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.309 5.628 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.900 4.835 6.500 1.00 0.00 H new ATOM 893 N LYS A 58 7.823 5.491 11.561 1.00 0.00 N ATOM 894 CA LYS A 58 8.034 6.165 12.849 1.00 0.00 C ATOM 895 C LYS A 58 6.927 7.181 13.171 1.00 0.00 C ATOM 896 O LYS A 58 6.351 7.149 14.256 1.00 0.00 O ATOM 897 CB LYS A 58 9.453 6.781 12.962 1.00 0.00 C ATOM 898 CG LYS A 58 9.715 7.594 14.240 1.00 0.00 C ATOM 899 CD LYS A 58 9.431 6.806 15.520 1.00 0.00 C ATOM 900 CE LYS A 58 10.281 5.549 15.628 1.00 0.00 C ATOM 901 NZ LYS A 58 10.039 4.828 16.891 1.00 0.00 N ATOM 0 H LYS A 58 7.562 4.510 11.665 1.00 0.00 H new ATOM 0 HA LYS A 58 7.968 5.392 13.615 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.186 5.976 12.906 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.621 7.426 12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.754 7.925 14.247 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.095 8.490 14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.618 7.443 16.385 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.376 6.532 15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.064 4.891 14.787 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.335 5.817 15.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.637 3.978 16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.270 5.447 17.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.038 4.550 16.946 1.00 0.00 H new ATOM 915 N GLU A 59 6.640 8.053 12.236 1.00 0.00 N ATOM 916 CA GLU A 59 5.628 9.071 12.406 1.00 0.00 C ATOM 917 C GLU A 59 4.239 8.460 12.540 1.00 0.00 C ATOM 918 O GLU A 59 3.597 8.612 13.552 1.00 0.00 O ATOM 919 CB GLU A 59 5.665 10.060 11.248 1.00 0.00 C ATOM 920 CG GLU A 59 6.923 10.899 11.199 1.00 0.00 C ATOM 921 CD GLU A 59 7.008 11.742 9.959 1.00 0.00 C ATOM 922 OE1 GLU A 59 6.145 12.633 9.769 1.00 0.00 O ATOM 923 OE2 GLU A 59 7.900 11.503 9.136 1.00 0.00 O ATOM 0 H GLU A 59 7.105 8.078 11.328 1.00 0.00 H new ATOM 0 HA GLU A 59 5.847 9.605 13.331 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.569 9.511 10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.801 10.721 11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.959 11.545 12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.794 10.245 11.249 1.00 0.00 H new ATOM 930 N LYS A 60 3.785 7.789 11.484 1.00 0.00 N ATOM 931 CA LYS A 60 2.473 7.109 11.401 1.00 0.00 C ATOM 932 C LYS A 60 1.317 8.091 11.239 1.00 0.00 C ATOM 933 O LYS A 60 0.389 7.830 10.498 1.00 0.00 O ATOM 934 CB LYS A 60 2.215 6.123 12.564 1.00 0.00 C ATOM 935 CG LYS A 60 3.285 5.046 12.710 1.00 0.00 C ATOM 936 CD LYS A 60 2.904 3.982 13.736 1.00 0.00 C ATOM 937 CE LYS A 60 2.724 4.559 15.131 1.00 0.00 C ATOM 938 NZ LYS A 60 2.354 3.517 16.110 1.00 0.00 N ATOM 0 H LYS A 60 4.331 7.694 10.628 1.00 0.00 H new ATOM 0 HA LYS A 60 2.522 6.507 10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.149 6.685 13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.248 5.643 12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.453 4.571 11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.226 5.510 13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.979 3.496 13.425 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.676 3.213 13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.648 5.043 15.447 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.952 5.329 15.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.674 3.908 16.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.921 2.712 15.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.205 3.196 16.614 1.00 0.00 H new ATOM 952 N TYR A 61 1.426 9.245 11.866 1.00 0.00 N ATOM 953 CA TYR A 61 0.393 10.300 11.849 1.00 0.00 C ATOM 954 C TYR A 61 0.412 11.090 10.523 1.00 0.00 C ATOM 955 O TYR A 61 0.167 12.291 10.475 1.00 0.00 O ATOM 956 CB TYR A 61 0.599 11.218 13.057 1.00 0.00 C ATOM 957 CG TYR A 61 0.739 10.434 14.341 1.00 0.00 C ATOM 958 CD1 TYR A 61 -0.252 9.553 14.746 1.00 0.00 C ATOM 959 CD2 TYR A 61 1.890 10.518 15.103 1.00 0.00 C ATOM 960 CE1 TYR A 61 -0.103 8.789 15.884 1.00 0.00 C ATOM 961 CE2 TYR A 61 2.054 9.752 16.232 1.00 0.00 C ATOM 962 CZ TYR A 61 1.057 8.890 16.621 1.00 0.00 C ATOM 963 OH TYR A 61 1.228 8.111 17.741 1.00 0.00 O ATOM 0 H TYR A 61 2.247 9.496 12.417 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.592 9.838 11.917 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.491 11.826 12.903 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.244 11.904 13.140 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.155 9.464 14.161 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.674 11.198 14.805 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.889 8.117 16.195 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.963 9.827 16.811 1.00 0.00 H new ATOM 0 HH TYR A 61 2.100 8.304 18.144 1.00 0.00 H new ATOM 973 N ASN A 62 0.657 10.366 9.472 1.00 0.00 N ATOM 974 CA ASN A 62 0.675 10.847 8.106 1.00 0.00 C ATOM 975 C ASN A 62 -0.161 9.857 7.323 1.00 0.00 C ATOM 976 O ASN A 62 -0.821 9.018 7.927 1.00 0.00 O ATOM 977 CB ASN A 62 2.100 10.840 7.509 1.00 0.00 C ATOM 978 CG ASN A 62 3.105 11.759 8.171 1.00 0.00 C ATOM 979 OD1 ASN A 62 4.357 11.356 8.147 1.00 0.00 O flip ATOM 980 ND2 ASN A 62 2.771 12.819 8.690 1.00 0.00 N flip ATOM 0 H ASN A 62 0.862 9.369 9.539 1.00 0.00 H new ATOM 0 HA ASN A 62 0.305 11.871 8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.485 9.821 7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.032 11.109 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.790 13.100 8.690 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.474 13.419 9.121 1.00 0.00 H new ATOM 987 N SER A 63 -0.099 9.904 6.011 1.00 0.00 N ATOM 988 CA SER A 63 -0.850 8.978 5.182 1.00 0.00 C ATOM 989 C SER A 63 -0.010 8.655 3.959 1.00 0.00 C ATOM 990 O SER A 63 0.450 9.577 3.269 1.00 0.00 O ATOM 991 CB SER A 63 -2.206 9.575 4.781 1.00 0.00 C ATOM 992 OG SER A 63 -2.941 10.002 5.922 1.00 0.00 O ATOM 0 H SER A 63 0.465 10.575 5.490 1.00 0.00 H new ATOM 0 HA SER A 63 -1.060 8.065 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.050 10.419 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.784 8.833 4.230 1.00 0.00 H new ATOM 0 HG SER A 63 -3.799 10.379 5.636 1.00 0.00 H new ATOM 998 N PHE A 64 0.246 7.383 3.728 1.00 0.00 N ATOM 999 CA PHE A 64 1.125 6.963 2.637 1.00 0.00 C ATOM 1000 C PHE A 64 0.410 5.979 1.746 1.00 0.00 C ATOM 1001 O PHE A 64 -0.044 4.939 2.219 1.00 0.00 O ATOM 1002 CB PHE A 64 2.374 6.274 3.188 1.00 0.00 C ATOM 1003 CG PHE A 64 2.884 6.868 4.452 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.696 7.968 4.447 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.512 6.320 5.655 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.123 8.510 5.628 1.00 0.00 C ATOM 1007 CE2 PHE A 64 2.930 6.839 6.830 1.00 0.00 C ATOM 1008 CZ PHE A 64 3.742 7.945 6.826 1.00 0.00 C ATOM 0 H PHE A 64 -0.139 6.615 4.278 1.00 0.00 H new ATOM 0 HA PHE A 64 1.407 7.853 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.150 5.221 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.161 6.316 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.001 8.409 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.869 5.452 5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.760 9.382 5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.628 6.388 7.764 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.081 8.371 7.758 1.00 0.00 H new ATOM 1018 N TRP A 65 0.304 6.307 0.489 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.339 5.458 -0.496 1.00 0.00 C ATOM 1020 C TRP A 65 0.383 4.121 -0.642 1.00 0.00 C ATOM 1021 O TRP A 65 1.626 4.074 -0.675 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.310 6.116 -1.878 1.00 0.00 C ATOM 1023 CG TRP A 65 -1.030 7.419 -2.023 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.474 8.630 -2.328 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.435 7.643 -1.900 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.447 9.587 -2.420 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.662 9.006 -2.158 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.530 6.821 -1.604 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -3.923 9.559 -2.131 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.786 7.381 -1.575 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -4.971 8.736 -1.839 1.00 0.00 C ATOM 0 H TRP A 65 0.664 7.181 0.106 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.360 5.306 -0.147 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.732 6.271 -2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.732 5.414 -2.597 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.581 8.806 -2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.295 10.570 -2.646 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.391 5.769 -1.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -4.077 10.609 -2.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.640 6.762 -1.344 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.970 9.146 -1.812 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.379 3.051 -0.715 1.00 0.00 N ATOM 1043 CA ILE A 66 0.185 1.770 -1.089 1.00 0.00 C ATOM 1044 C ILE A 66 -0.493 1.339 -2.378 1.00 0.00 C ATOM 1045 O ILE A 66 -1.474 1.973 -2.776 1.00 0.00 O ATOM 1046 CB ILE A 66 0.140 0.630 0.009 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.296 0.217 0.442 1.00 0.00 C ATOM 1048 CG2 ILE A 66 0.983 1.024 1.230 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.981 1.156 1.417 1.00 0.00 C ATOM 0 H ILE A 66 -1.381 3.040 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 66 1.257 1.918 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 66 0.569 -0.254 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.916 0.133 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.250 -0.775 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.940 0.228 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.017 1.179 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.591 1.945 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.975 0.775 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.392 1.223 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.069 2.146 0.968 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.030 0.280 -3.019 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.542 -0.090 -4.344 1.00 0.00 C ATOM 1063 C GLY A 67 -1.919 -0.746 -4.349 1.00 0.00 C ATOM 1064 O GLY A 67 -2.167 -1.638 -5.144 1.00 0.00 O ATOM 0 H GLY A 67 0.694 -0.340 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.582 0.806 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.169 -0.770 -4.813 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.800 -0.273 -3.499 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.145 -0.793 -3.365 1.00 0.00 C ATOM 1070 C LEU A 68 -5.156 0.111 -3.986 1.00 0.00 C ATOM 1071 O LEU A 68 -5.270 1.284 -3.593 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.532 -0.950 -1.897 1.00 0.00 C ATOM 1073 CG LEU A 68 -4.138 -2.233 -1.216 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.426 -2.123 0.273 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.932 -3.392 -1.815 1.00 0.00 C ATOM 0 H LEU A 68 -2.599 0.501 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.142 -1.758 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.091 -0.123 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.614 -0.845 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.073 -2.415 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.141 -3.051 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.853 -1.297 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.490 -1.942 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.647 -4.321 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.998 -3.216 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.719 -3.467 -2.881 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.899 -0.409 -4.922 1.00 0.00 N ATOM 1088 CA ARG A 69 -7.024 0.308 -5.428 1.00 0.00 C ATOM 1089 C ARG A 69 -8.186 -0.620 -5.586 1.00 0.00 C ATOM 1090 O ARG A 69 -8.021 -1.797 -5.925 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.765 1.080 -6.729 1.00 0.00 C ATOM 1092 CG ARG A 69 -6.379 0.269 -7.945 1.00 0.00 C ATOM 1093 CD ARG A 69 -6.496 1.147 -9.185 1.00 0.00 C ATOM 1094 NE ARG A 69 -7.868 1.708 -9.303 1.00 0.00 N ATOM 1095 CZ ARG A 69 -8.172 2.980 -9.640 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -7.220 3.805 -10.072 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -9.443 3.396 -9.578 1.00 0.00 N ATOM 0 H ARG A 69 -5.743 -1.324 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.247 1.076 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.664 1.646 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.973 1.805 -6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.359 -0.102 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.028 -0.602 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.769 1.958 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.259 0.563 -10.074 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.647 1.078 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.257 3.477 -10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.454 4.765 -10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.176 2.753 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.678 4.356 -9.831 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.335 -0.117 -5.305 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.537 -0.862 -5.455 1.00 0.00 C ATOM 1113 C TYR A 70 -11.017 -0.616 -6.868 1.00 0.00 C ATOM 1114 O TYR A 70 -11.335 0.515 -7.236 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.527 -0.361 -4.404 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.851 -1.076 -4.303 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -12.945 -2.462 -4.180 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -14.006 -0.346 -4.254 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -14.177 -3.081 -4.012 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.230 -0.949 -4.106 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.317 -2.309 -3.981 1.00 0.00 C ATOM 1122 OH TYR A 70 -16.553 -2.901 -3.780 1.00 0.00 O ATOM 0 H TYR A 70 -9.470 0.834 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.410 -1.934 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.040 -0.414 -3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.727 0.692 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.048 -3.062 -4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.954 0.730 -4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.240 -4.154 -3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.127 -0.348 -4.088 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.207 -2.512 -4.398 1.00 0.00 H new ATOM 1132 N THR A 71 -11.003 -1.639 -7.663 1.00 0.00 N ATOM 1133 CA THR A 71 -11.329 -1.514 -9.051 1.00 0.00 C ATOM 1134 C THR A 71 -12.759 -1.916 -9.347 1.00 0.00 C ATOM 1135 O THR A 71 -13.211 -2.997 -8.951 1.00 0.00 O ATOM 1136 CB THR A 71 -10.334 -2.332 -9.903 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.092 -3.612 -9.277 1.00 0.00 O ATOM 1138 CG2 THR A 71 -9.019 -1.580 -10.049 1.00 0.00 C ATOM 0 H THR A 71 -10.765 -2.586 -7.369 1.00 0.00 H new ATOM 0 HA THR A 71 -11.243 -0.460 -9.317 1.00 0.00 H new ATOM 0 HB THR A 71 -10.765 -2.486 -10.892 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.126 -4.319 -9.955 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.328 -2.169 -10.652 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.200 -0.622 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.586 -1.410 -9.063 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.502 -1.021 -9.947 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.837 -1.334 -10.390 1.00 0.00 C ATOM 1148 C LEU A 72 -14.950 -1.113 -11.893 1.00 0.00 C ATOM 1149 O LEU A 72 -14.380 -0.159 -12.412 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.896 -0.518 -9.656 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.926 -0.642 -8.134 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -17.093 0.106 -7.593 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -16.016 -2.084 -7.697 1.00 0.00 C ATOM 0 H LEU A 72 -13.203 -0.065 -10.141 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.022 -2.383 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.752 0.532 -9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.874 -0.807 -10.040 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.997 -0.223 -7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.111 0.015 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -17.011 1.157 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -18.013 -0.306 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.035 -2.134 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.927 -2.529 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.151 -2.632 -8.070 1.00 0.00 H new ATOM 1165 N PRO A 73 -15.634 -1.999 -12.621 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.216 -3.195 -12.071 1.00 0.00 C ATOM 1167 C PRO A 73 -15.192 -4.331 -12.051 1.00 0.00 C ATOM 1168 O PRO A 73 -14.584 -4.655 -13.072 1.00 0.00 O ATOM 1169 CB PRO A 73 -17.382 -3.499 -13.013 1.00 0.00 C ATOM 1170 CG PRO A 73 -17.115 -2.734 -14.284 1.00 0.00 C ATOM 1171 CD PRO A 73 -15.880 -1.891 -14.062 1.00 0.00 C ATOM 0 HA PRO A 73 -16.543 -3.079 -11.038 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.452 -4.569 -13.211 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.330 -3.194 -12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.966 -3.419 -15.119 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.968 -2.104 -14.538 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.034 -2.262 -14.641 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.043 -0.856 -14.363 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.025 -4.916 -10.896 1.00 0.00 N ATOM 1180 CA ASP A 74 -14.019 -5.957 -10.629 1.00 0.00 C ATOM 1181 C ASP A 74 -14.257 -6.382 -9.186 1.00 0.00 C ATOM 1182 O ASP A 74 -14.180 -7.555 -8.822 1.00 0.00 O ATOM 1183 CB ASP A 74 -12.613 -5.348 -10.804 1.00 0.00 C ATOM 1184 CG ASP A 74 -11.457 -6.317 -10.801 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -11.648 -7.540 -10.671 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -10.304 -5.844 -10.977 1.00 0.00 O ATOM 0 H ASP A 74 -15.592 -4.688 -10.079 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.094 -6.809 -11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.594 -4.797 -11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.453 -4.623 -10.006 1.00 0.00 H new ATOM 1191 N MET A 75 -14.622 -5.363 -8.381 1.00 0.00 N ATOM 1192 CA MET A 75 -15.080 -5.486 -7.009 1.00 0.00 C ATOM 1193 C MET A 75 -14.070 -6.063 -6.037 1.00 0.00 C ATOM 1194 O MET A 75 -14.437 -6.624 -4.994 1.00 0.00 O ATOM 1195 CB MET A 75 -16.434 -6.183 -6.946 1.00 0.00 C ATOM 1196 CG MET A 75 -17.596 -5.312 -7.440 1.00 0.00 C ATOM 1197 SD MET A 75 -17.592 -4.945 -9.218 1.00 0.00 S ATOM 1198 CE MET A 75 -17.859 -6.588 -9.916 1.00 0.00 C ATOM 0 H MET A 75 -14.599 -4.394 -8.698 1.00 0.00 H new ATOM 0 HA MET A 75 -15.207 -4.464 -6.653 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.393 -7.093 -7.544 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.630 -6.486 -5.918 1.00 0.00 H new ATOM 0 HG2 MET A 75 -18.533 -5.810 -7.191 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.581 -4.370 -6.892 1.00 0.00 H new ATOM 0 HE1 MET A 75 -18.110 -6.498 -10.973 1.00 0.00 H new ATOM 0 HE2 MET A 75 -16.951 -7.181 -9.808 1.00 0.00 H new ATOM 0 HE3 MET A 75 -18.678 -7.078 -9.389 1.00 0.00 H new ATOM 1208 N ASN A 76 -12.819 -5.833 -6.312 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.757 -6.270 -5.438 1.00 0.00 C ATOM 1210 C ASN A 76 -10.743 -5.188 -5.273 1.00 0.00 C ATOM 1211 O ASN A 76 -10.638 -4.283 -6.114 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.051 -7.534 -5.955 1.00 0.00 C ATOM 1213 CG ASN A 76 -11.842 -8.806 -5.765 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -12.639 -9.192 -6.613 1.00 0.00 O ATOM 1215 ND2 ASN A 76 -11.609 -9.489 -4.671 1.00 0.00 N ATOM 0 H ASN A 76 -12.501 -5.339 -7.146 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.221 -6.507 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.836 -7.408 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.093 -7.636 -5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.097 -10.369 -4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.940 -9.140 -3.985 1.00 0.00 H new ATOM 1222 N TRP A 77 -10.029 -5.254 -4.184 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.923 -4.379 -3.956 1.00 0.00 C ATOM 1224 C TRP A 77 -7.726 -5.088 -4.475 1.00 0.00 C ATOM 1225 O TRP A 77 -7.182 -5.996 -3.836 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.736 -4.061 -2.483 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.877 -3.346 -1.860 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -11.064 -3.886 -1.501 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.928 -1.964 -1.493 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.872 -2.928 -0.968 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -11.197 -1.736 -0.938 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -9.026 -0.897 -1.587 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -11.596 -0.485 -0.475 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -9.419 0.345 -1.126 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -10.695 0.540 -0.577 1.00 0.00 C ATOM 0 H TRP A 77 -10.201 -5.919 -3.430 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.091 -3.425 -4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.567 -4.992 -1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.837 -3.456 -2.366 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -11.332 -4.925 -1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.828 -3.075 -0.643 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.043 -1.042 -2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.578 -0.330 -0.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.734 1.177 -1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -10.973 1.523 -0.226 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.380 -4.763 -5.644 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.307 -5.394 -6.287 1.00 0.00 C ATOM 1248 C LYS A 78 -5.137 -4.499 -6.293 1.00 0.00 C ATOM 1249 O LYS A 78 -5.273 -3.253 -6.343 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.717 -5.843 -7.683 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.654 -7.044 -7.644 1.00 0.00 C ATOM 1252 CD LYS A 78 -8.409 -7.249 -8.941 1.00 0.00 C ATOM 1253 CE LYS A 78 -7.508 -7.418 -10.158 1.00 0.00 C ATOM 1254 NZ LYS A 78 -8.322 -7.607 -11.375 1.00 0.00 N ATOM 0 H LYS A 78 -7.839 -4.039 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.023 -6.294 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.207 -5.018 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.827 -6.096 -8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.077 -7.941 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.368 -6.914 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.044 -8.130 -8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.069 -6.397 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.870 -6.541 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.850 -8.275 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.697 -7.670 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.875 -8.484 -11.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.968 -6.800 -11.489 1.00 0.00 H new ATOM 1268 N TRP A 79 -4.002 -5.091 -6.172 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.817 -4.346 -6.174 1.00 0.00 C ATOM 1270 C TRP A 79 -2.399 -4.142 -7.602 1.00 0.00 C ATOM 1271 O TRP A 79 -2.705 -4.973 -8.465 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.702 -5.045 -5.428 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.991 -5.473 -4.012 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.591 -6.617 -3.625 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.652 -4.786 -2.806 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.637 -6.704 -2.273 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -2.085 -5.594 -1.738 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -1.034 -3.576 -2.520 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.919 -5.232 -0.417 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -0.872 -3.220 -1.203 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.314 -4.045 -0.172 1.00 0.00 C ATOM 0 H TRP A 79 -3.880 -6.099 -6.070 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.003 -3.398 -5.670 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.415 -5.929 -5.998 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.837 -4.382 -5.412 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.982 -7.363 -4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.027 -7.484 -1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.689 -2.930 -3.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.257 -5.868 0.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.393 -2.282 -0.963 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.171 -3.730 0.851 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.678 -3.076 -7.835 1.00 0.00 N ATOM 1293 CA ILE A 80 -1.197 -2.675 -9.169 1.00 0.00 C ATOM 1294 C ILE A 80 -0.475 -3.800 -9.936 1.00 0.00 C ATOM 1295 O ILE A 80 -0.533 -3.856 -11.159 1.00 0.00 O ATOM 1296 CB ILE A 80 -0.216 -1.488 -9.071 1.00 0.00 C ATOM 1297 CG1 ILE A 80 0.967 -1.863 -8.164 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -0.933 -0.251 -8.548 1.00 0.00 C ATOM 1299 CD1 ILE A 80 2.108 -0.904 -8.213 1.00 0.00 C ATOM 0 H ILE A 80 -1.392 -2.434 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.100 -2.405 -9.716 1.00 0.00 H new ATOM 0 HB ILE A 80 0.169 -1.259 -10.065 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.612 -1.935 -7.136 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.327 -2.852 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.228 0.578 -8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.744 0.013 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.341 -0.458 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.898 -1.244 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.493 -0.848 -9.231 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.768 0.083 -7.900 1.00 0.00 H new ATOM 1311 N ASN A 81 0.193 -4.683 -9.221 1.00 0.00 N ATOM 1312 CA ASN A 81 0.986 -5.702 -9.868 1.00 0.00 C ATOM 1313 C ASN A 81 0.188 -6.990 -10.085 1.00 0.00 C ATOM 1314 O ASN A 81 0.702 -7.958 -10.639 1.00 0.00 O ATOM 1315 CB ASN A 81 2.292 -5.970 -9.100 1.00 0.00 C ATOM 1316 CG ASN A 81 2.090 -6.679 -7.788 1.00 0.00 C ATOM 1317 OD1 ASN A 81 1.021 -6.604 -7.173 1.00 0.00 O ATOM 1318 ND2 ASN A 81 3.113 -7.328 -7.316 1.00 0.00 N ATOM 0 H ASN A 81 0.202 -4.714 -8.202 1.00 0.00 H new ATOM 0 HA ASN A 81 1.257 -5.323 -10.853 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.955 -6.567 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.796 -5.021 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.048 -7.795 -6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.981 -7.370 -7.850 1.00 0.00 H new ATOM 1325 N GLY A 82 -1.056 -7.009 -9.619 1.00 0.00 N ATOM 1326 CA GLY A 82 -1.929 -8.141 -9.867 1.00 0.00 C ATOM 1327 C GLY A 82 -2.078 -9.006 -8.654 1.00 0.00 C ATOM 1328 O GLY A 82 -2.633 -10.095 -8.711 1.00 0.00 O ATOM 0 H GLY A 82 -1.476 -6.258 -9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.909 -7.782 -10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.530 -8.734 -10.689 1.00 0.00 H new ATOM 1332 N SER A 83 -1.566 -8.529 -7.566 1.00 0.00 N ATOM 1333 CA SER A 83 -1.662 -9.224 -6.325 1.00 0.00 C ATOM 1334 C SER A 83 -3.066 -9.093 -5.721 1.00 0.00 C ATOM 1335 O SER A 83 -3.843 -8.180 -6.083 1.00 0.00 O ATOM 1336 CB SER A 83 -0.638 -8.673 -5.369 1.00 0.00 C ATOM 1337 OG SER A 83 0.690 -8.914 -5.817 1.00 0.00 O ATOM 0 H SER A 83 -1.067 -7.641 -7.514 1.00 0.00 H new ATOM 0 HA SER A 83 -1.473 -10.283 -6.503 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.792 -7.600 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.778 -9.125 -4.387 1.00 0.00 H new ATOM 0 HG SER A 83 1.067 -8.087 -6.184 1.00 0.00 H new ATOM 1343 N THR A 84 -3.369 -9.969 -4.797 1.00 0.00 N ATOM 1344 CA THR A 84 -4.630 -9.982 -4.132 1.00 0.00 C ATOM 1345 C THR A 84 -4.472 -9.428 -2.694 1.00 0.00 C ATOM 1346 O THR A 84 -3.511 -9.760 -1.994 1.00 0.00 O ATOM 1347 CB THR A 84 -5.160 -11.422 -4.085 1.00 0.00 C ATOM 1348 OG1 THR A 84 -5.108 -11.994 -5.407 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.581 -11.445 -3.608 1.00 0.00 C ATOM 0 H THR A 84 -2.731 -10.701 -4.487 1.00 0.00 H new ATOM 0 HA THR A 84 -5.336 -9.353 -4.674 1.00 0.00 H new ATOM 0 HB THR A 84 -4.541 -11.997 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.845 -12.631 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.939 -12.474 -3.581 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.636 -11.016 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.202 -10.862 -4.288 1.00 0.00 H new ATOM 1357 N LEU A 85 -5.355 -8.514 -2.324 1.00 0.00 N ATOM 1358 CA LEU A 85 -5.390 -7.907 -0.984 1.00 0.00 C ATOM 1359 C LEU A 85 -5.564 -8.901 0.155 1.00 0.00 C ATOM 1360 O LEU A 85 -6.586 -9.588 0.259 1.00 0.00 O ATOM 1361 CB LEU A 85 -6.500 -6.847 -0.866 1.00 0.00 C ATOM 1362 CG LEU A 85 -6.744 -6.296 0.563 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -5.531 -5.554 1.098 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.982 -5.422 0.620 1.00 0.00 C ATOM 0 H LEU A 85 -6.081 -8.162 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.406 -7.450 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.253 -6.012 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.431 -7.278 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.913 -7.158 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.744 -5.184 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.677 -6.231 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.300 -4.714 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.121 -5.054 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.863 -4.577 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.853 -6.006 0.323 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.581 -8.922 1.025 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.674 -9.627 2.279 1.00 0.00 C ATOM 1378 C ASN A 86 -5.273 -8.683 3.300 1.00 0.00 C ATOM 1379 O ASN A 86 -4.571 -7.986 4.034 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.299 -10.162 2.727 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.257 -10.783 4.117 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.258 -11.242 4.660 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -2.071 -10.862 4.672 1.00 0.00 N ATOM 0 H ASN A 86 -3.690 -8.447 0.880 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.315 -10.502 2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.966 -10.908 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.581 -9.342 2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.962 -11.314 5.580 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.258 -10.471 4.196 1.00 0.00 H new ATOM 1390 N SER A 87 -6.579 -8.599 3.270 1.00 0.00 N ATOM 1391 CA SER A 87 -7.352 -7.731 4.125 1.00 0.00 C ATOM 1392 C SER A 87 -7.363 -8.202 5.576 1.00 0.00 C ATOM 1393 O SER A 87 -7.861 -7.521 6.468 1.00 0.00 O ATOM 1394 CB SER A 87 -8.746 -7.659 3.548 1.00 0.00 C ATOM 1395 OG SER A 87 -9.094 -8.914 2.970 1.00 0.00 O ATOM 0 H SER A 87 -7.152 -9.149 2.631 1.00 0.00 H new ATOM 0 HA SER A 87 -6.899 -6.740 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.460 -7.397 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.797 -6.874 2.794 1.00 0.00 H new ATOM 0 HG SER A 87 -9.999 -8.863 2.599 1.00 0.00 H new ATOM 1401 N ASP A 88 -6.782 -9.350 5.799 1.00 0.00 N ATOM 1402 CA ASP A 88 -6.715 -9.946 7.106 1.00 0.00 C ATOM 1403 C ASP A 88 -5.670 -9.276 7.980 1.00 0.00 C ATOM 1404 O ASP A 88 -5.608 -9.540 9.174 1.00 0.00 O ATOM 1405 CB ASP A 88 -6.434 -11.446 7.002 1.00 0.00 C ATOM 1406 CG ASP A 88 -7.580 -12.234 6.419 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -7.831 -12.163 5.185 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -8.248 -12.962 7.174 1.00 0.00 O ATOM 0 H ASP A 88 -6.336 -9.905 5.068 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.686 -9.799 7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.548 -11.600 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.204 -11.834 7.994 1.00 0.00 H new ATOM 1413 N VAL A 89 -4.826 -8.417 7.396 1.00 0.00 N ATOM 1414 CA VAL A 89 -3.831 -7.728 8.198 1.00 0.00 C ATOM 1415 C VAL A 89 -4.421 -6.589 9.049 1.00 0.00 C ATOM 1416 O VAL A 89 -4.184 -6.542 10.254 1.00 0.00 O ATOM 1417 CB VAL A 89 -2.599 -7.223 7.377 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -1.859 -8.390 6.776 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -2.988 -6.232 6.281 1.00 0.00 C ATOM 0 H VAL A 89 -4.816 -8.193 6.401 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.465 -8.494 8.881 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.949 -6.694 8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.004 -8.025 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.511 -9.049 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.526 -8.942 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.094 -5.915 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.679 -6.710 5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.469 -5.363 6.730 1.00 0.00 H new ATOM 1429 N LEU A 90 -5.211 -5.711 8.434 1.00 0.00 N ATOM 1430 CA LEU A 90 -5.737 -4.513 9.097 1.00 0.00 C ATOM 1431 C LEU A 90 -7.071 -4.142 8.482 1.00 0.00 C ATOM 1432 O LEU A 90 -7.549 -4.842 7.585 1.00 0.00 O ATOM 1433 CB LEU A 90 -4.754 -3.336 8.958 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.387 -3.493 9.632 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -2.490 -2.322 9.284 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -3.534 -3.582 11.145 1.00 0.00 C ATOM 0 H LEU A 90 -5.506 -5.807 7.462 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.867 -4.728 10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.590 -3.154 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.232 -2.445 9.364 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.938 -4.416 9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.523 -2.448 9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.351 -2.279 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.951 -1.396 9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.550 -3.693 11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.006 -2.674 11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.151 -4.443 11.401 1.00 0.00 H new ATOM 1448 N LYS A 91 -7.664 -3.061 8.944 1.00 0.00 N ATOM 1449 CA LYS A 91 -8.968 -2.672 8.478 1.00 0.00 C ATOM 1450 C LYS A 91 -8.928 -1.973 7.159 1.00 0.00 C ATOM 1451 O LYS A 91 -8.077 -1.122 6.914 1.00 0.00 O ATOM 1452 CB LYS A 91 -9.739 -1.834 9.508 1.00 0.00 C ATOM 1453 CG LYS A 91 -9.246 -0.396 9.742 1.00 0.00 C ATOM 1454 CD LYS A 91 -9.930 0.606 8.792 1.00 0.00 C ATOM 1455 CE LYS A 91 -9.653 2.050 9.176 1.00 0.00 C ATOM 1456 NZ LYS A 91 -10.317 2.418 10.443 1.00 0.00 N ATOM 0 H LYS A 91 -7.259 -2.439 9.643 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.510 -3.607 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.782 -1.789 9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.714 -2.361 10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.441 -0.109 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.166 -0.354 9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.584 0.431 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.006 0.431 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.578 2.201 9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.997 2.710 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.292 3.451 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.305 2.095 10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.821 1.967 11.238 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.826 -2.385 6.314 1.00 0.00 N ATOM 1471 CA ILE A 92 -10.105 -1.809 5.022 1.00 0.00 C ATOM 1472 C ILE A 92 -11.550 -2.221 4.806 1.00 0.00 C ATOM 1473 O ILE A 92 -12.038 -3.072 5.561 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.224 -2.442 3.876 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.767 -2.618 4.361 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.279 -1.557 2.621 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.729 -2.798 3.272 1.00 0.00 C ATOM 0 H ILE A 92 -10.425 -3.185 6.518 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.905 -0.738 4.994 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.621 -3.425 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.494 -1.747 4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.726 -3.483 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.668 -2.002 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -10.310 -1.477 2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.898 -0.564 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.744 -2.912 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.965 -3.687 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.730 -1.924 2.620 1.00 0.00 H new ATOM 1489 N THR A 93 -12.269 -1.648 3.903 1.00 0.00 N ATOM 1490 CA THR A 93 -13.597 -2.152 3.654 1.00 0.00 C ATOM 1491 C THR A 93 -13.495 -3.183 2.538 1.00 0.00 C ATOM 1492 O THR A 93 -12.541 -3.162 1.782 1.00 0.00 O ATOM 1493 CB THR A 93 -14.570 -1.022 3.266 1.00 0.00 C ATOM 1494 OG1 THR A 93 -14.485 0.020 4.247 1.00 0.00 O ATOM 1495 CG2 THR A 93 -16.009 -1.525 3.244 1.00 0.00 C ATOM 0 H THR A 93 -11.981 -0.852 3.333 1.00 0.00 H new ATOM 0 HA THR A 93 -13.995 -2.606 4.562 1.00 0.00 H new ATOM 0 HB THR A 93 -14.298 -0.660 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.727 0.605 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 93 -16.676 -0.708 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 93 -16.102 -2.331 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 93 -16.280 -1.896 4.233 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.432 -4.087 2.455 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.384 -5.057 1.429 1.00 0.00 C ATOM 1505 C GLY A 94 -15.088 -4.518 0.260 1.00 0.00 C ATOM 1506 O GLY A 94 -14.472 -4.136 -0.730 1.00 0.00 O ATOM 0 H GLY A 94 -15.228 -4.162 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.350 -5.293 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.850 -5.985 1.760 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.366 -4.424 0.385 1.00 0.00 N ATOM 1511 CA ASP A 95 -17.153 -3.857 -0.643 1.00 0.00 C ATOM 1512 C ASP A 95 -17.574 -2.472 -0.220 1.00 0.00 C ATOM 1513 O ASP A 95 -18.085 -2.277 0.870 1.00 0.00 O ATOM 1514 CB ASP A 95 -18.356 -4.738 -1.002 1.00 0.00 C ATOM 1515 CG ASP A 95 -19.393 -4.868 0.090 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -19.057 -5.320 1.216 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -20.576 -4.566 -0.174 1.00 0.00 O ATOM 0 H ASP A 95 -16.890 -4.738 1.202 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.557 -3.790 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -18.835 -4.330 -1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.995 -5.733 -1.262 1.00 0.00 H new ATOM 1522 N THR A 96 -17.290 -1.504 -1.035 1.00 0.00 N ATOM 1523 CA THR A 96 -17.633 -0.135 -0.693 1.00 0.00 C ATOM 1524 C THR A 96 -18.215 0.595 -1.920 1.00 0.00 C ATOM 1525 O THR A 96 -18.783 1.680 -1.807 1.00 0.00 O ATOM 1526 CB THR A 96 -16.389 0.621 -0.092 1.00 0.00 C ATOM 1527 OG1 THR A 96 -16.762 1.888 0.455 1.00 0.00 O ATOM 1528 CG2 THR A 96 -15.302 0.830 -1.140 1.00 0.00 C ATOM 0 H THR A 96 -16.826 -1.621 -1.936 1.00 0.00 H new ATOM 0 HA THR A 96 -18.403 -0.148 0.078 1.00 0.00 H new ATOM 0 HB THR A 96 -15.997 -0.010 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 96 -17.579 2.205 0.017 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.459 1.355 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.969 -0.137 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.700 1.422 -1.964 1.00 0.00 H new ATOM 1536 N GLU A 97 -18.078 -0.045 -3.087 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.586 0.447 -4.377 1.00 0.00 C ATOM 1538 C GLU A 97 -18.053 1.832 -4.777 1.00 0.00 C ATOM 1539 O GLU A 97 -18.649 2.537 -5.586 1.00 0.00 O ATOM 1540 CB GLU A 97 -20.099 0.381 -4.410 1.00 0.00 C ATOM 1541 CG GLU A 97 -20.610 -1.026 -4.181 1.00 0.00 C ATOM 1542 CD GLU A 97 -20.037 -2.018 -5.168 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -18.883 -2.500 -4.967 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -20.727 -2.355 -6.143 1.00 0.00 O ATOM 0 H GLU A 97 -17.599 -0.942 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.192 -0.224 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.508 1.044 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.457 0.745 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.359 -1.340 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -21.697 -1.031 -4.256 1.00 0.00 H new ATOM 1551 N ASN A 98 -16.906 2.175 -4.259 1.00 0.00 N ATOM 1552 CA ASN A 98 -16.257 3.442 -4.571 1.00 0.00 C ATOM 1553 C ASN A 98 -15.046 3.201 -5.466 1.00 0.00 C ATOM 1554 O ASN A 98 -14.753 2.073 -5.821 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.829 4.186 -3.287 1.00 0.00 C ATOM 1556 CG ASN A 98 -16.950 4.902 -2.530 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -18.159 4.434 -2.638 1.00 0.00 O flip ATOM 1558 ND2 ASN A 98 -16.707 5.889 -1.842 1.00 0.00 N flip ATOM 0 H ASN A 98 -16.385 1.590 -3.606 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.976 4.069 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.361 3.469 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.068 4.920 -3.551 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -15.751 6.239 -1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -17.461 6.359 -1.341 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.355 4.255 -5.792 1.00 0.00 N ATOM 1566 CA ASP A 99 -13.163 4.236 -6.663 1.00 0.00 C ATOM 1567 C ASP A 99 -11.919 4.458 -5.777 1.00 0.00 C ATOM 1568 O ASP A 99 -10.887 4.954 -6.202 1.00 0.00 O ATOM 1569 CB ASP A 99 -13.334 5.364 -7.712 1.00 0.00 C ATOM 1570 CG ASP A 99 -12.268 5.408 -8.789 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -12.160 4.436 -9.577 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -11.580 6.459 -8.920 1.00 0.00 O ATOM 0 H ASP A 99 -14.593 5.190 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 99 -13.043 3.287 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -14.307 5.250 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -13.344 6.323 -7.193 1.00 0.00 H new ATOM 1577 N SER A 100 -12.071 4.054 -4.545 1.00 0.00 N ATOM 1578 CA SER A 100 -11.134 4.267 -3.460 1.00 0.00 C ATOM 1579 C SER A 100 -9.747 3.602 -3.640 1.00 0.00 C ATOM 1580 O SER A 100 -9.617 2.496 -4.188 1.00 0.00 O ATOM 1581 CB SER A 100 -11.779 3.693 -2.213 1.00 0.00 C ATOM 1582 OG SER A 100 -13.051 4.261 -2.001 1.00 0.00 O ATOM 0 H SER A 100 -12.898 3.537 -4.248 1.00 0.00 H new ATOM 0 HA SER A 100 -10.936 5.338 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.870 2.611 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.142 3.883 -1.349 1.00 0.00 H new ATOM 0 HG SER A 100 -13.451 3.876 -1.193 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.739 4.302 -3.153 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.383 3.801 -3.036 1.00 0.00 C ATOM 1590 C CYS A 101 -7.013 3.891 -1.565 1.00 0.00 C ATOM 1591 O CYS A 101 -7.496 4.796 -0.868 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.401 4.615 -3.895 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.607 4.419 -5.703 1.00 0.00 S ATOM 0 H CYS A 101 -8.844 5.260 -2.819 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.325 2.774 -3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -6.511 5.670 -3.644 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -5.384 4.328 -3.627 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.205 2.976 -1.072 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.906 2.948 0.354 1.00 0.00 C ATOM 1600 C ALA A 102 -4.502 3.491 0.687 1.00 0.00 C ATOM 1601 O ALA A 102 -3.570 3.449 -0.152 1.00 0.00 O ATOM 1602 CB ALA A 102 -6.152 1.545 0.950 1.00 0.00 C ATOM 0 H ALA A 102 -5.747 2.250 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.603 3.634 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.920 1.556 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.197 1.268 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.513 0.819 0.447 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.363 3.986 1.908 1.00 0.00 N ATOM 1609 CA ALA A 103 -3.140 4.573 2.411 1.00 0.00 C ATOM 1610 C ALA A 103 -2.933 4.181 3.874 1.00 0.00 C ATOM 1611 O ALA A 103 -3.884 3.906 4.594 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.192 6.109 2.301 1.00 0.00 C ATOM 0 H ALA A 103 -5.121 3.988 2.591 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.310 4.200 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.264 6.533 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.318 6.395 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.031 6.487 2.884 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.697 4.127 4.277 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.308 3.900 5.661 1.00 0.00 C ATOM 1620 C ILE A 104 -1.484 5.194 6.392 1.00 0.00 C ATOM 1621 O ILE A 104 -0.822 6.177 6.070 1.00 0.00 O ATOM 1622 CB ILE A 104 0.191 3.465 5.740 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.392 2.043 5.206 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.778 3.609 7.167 1.00 0.00 C ATOM 1625 CD1 ILE A 104 -0.050 0.969 6.162 1.00 0.00 C ATOM 0 H ILE A 104 -0.904 4.241 3.646 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.919 3.111 6.099 1.00 0.00 H new ATOM 0 HB ILE A 104 0.744 4.150 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.159 1.934 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.447 1.898 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.821 3.293 7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.715 4.650 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.212 2.985 7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.123 -0.010 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.518 1.050 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.112 1.087 6.376 1.00 0.00 H new ATOM 1637 N SER A 105 -2.384 5.218 7.315 1.00 0.00 N ATOM 1638 CA SER A 105 -2.593 6.382 8.090 1.00 0.00 C ATOM 1639 C SER A 105 -2.779 5.953 9.526 1.00 0.00 C ATOM 1640 O SER A 105 -3.852 5.490 9.935 1.00 0.00 O ATOM 1641 CB SER A 105 -3.785 7.191 7.570 1.00 0.00 C ATOM 1642 OG SER A 105 -3.788 8.519 8.089 1.00 0.00 O ATOM 0 H SER A 105 -2.991 4.432 7.549 1.00 0.00 H new ATOM 0 HA SER A 105 -1.731 7.045 8.018 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.754 7.226 6.481 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.713 6.690 7.846 1.00 0.00 H new ATOM 0 HG SER A 105 -3.527 9.147 7.383 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.711 6.018 10.247 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.704 5.629 11.614 1.00 0.00 C ATOM 1650 C GLY A 106 -1.150 4.252 11.734 1.00 0.00 C ATOM 1651 O GLY A 106 -0.122 3.944 11.141 1.00 0.00 O ATOM 0 H GLY A 106 -0.810 6.346 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.104 6.326 12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.716 5.662 12.018 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.828 3.427 12.466 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.445 2.030 12.632 1.00 0.00 C ATOM 1657 C ASP A 107 -2.430 1.180 11.866 1.00 0.00 C ATOM 1658 O ASP A 107 -2.473 -0.046 12.014 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.493 1.617 14.120 1.00 0.00 C ATOM 1660 CG ASP A 107 -0.506 2.340 15.014 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -0.714 3.529 15.323 1.00 0.00 O ATOM 1662 OD2 ASP A 107 0.480 1.726 15.450 1.00 0.00 O ATOM 0 H ASP A 107 -2.672 3.689 12.976 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.428 1.893 12.265 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.500 1.792 14.499 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.308 0.545 14.191 1.00 0.00 H new ATOM 1667 N LYS A 108 -3.233 1.840 11.050 1.00 0.00 N ATOM 1668 CA LYS A 108 -4.310 1.198 10.326 1.00 0.00 C ATOM 1669 C LYS A 108 -4.199 1.575 8.862 1.00 0.00 C ATOM 1670 O LYS A 108 -3.390 2.441 8.496 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.679 1.710 10.832 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.823 1.833 12.347 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.648 0.505 13.072 1.00 0.00 C ATOM 1674 CE LYS A 108 -5.660 0.702 14.579 1.00 0.00 C ATOM 1675 NZ LYS A 108 -5.424 -0.556 15.317 1.00 0.00 N ATOM 0 H LYS A 108 -3.154 2.841 10.872 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.238 0.120 10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.867 2.687 10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.455 1.038 10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.086 2.544 12.720 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.806 2.241 12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.447 -0.178 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.709 0.042 12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.895 1.429 14.853 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.620 1.121 14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.442 -0.367 16.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.167 -1.243 15.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.496 -0.945 15.053 1.00 0.00 H new ATOM 1689 N VAL A 109 -5.011 0.964 8.042 1.00 0.00 N ATOM 1690 CA VAL A 109 -5.067 1.307 6.653 1.00 0.00 C ATOM 1691 C VAL A 109 -6.345 2.091 6.466 1.00 0.00 C ATOM 1692 O VAL A 109 -7.394 1.692 6.958 1.00 0.00 O ATOM 1693 CB VAL A 109 -5.117 0.057 5.737 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.862 0.438 4.289 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -4.152 -1.015 6.198 1.00 0.00 C ATOM 0 H VAL A 109 -5.649 0.218 8.320 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.173 1.868 6.381 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.121 -0.362 5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.902 -0.455 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.623 1.145 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.878 0.898 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.217 -1.874 5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.136 -0.620 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.408 -1.323 7.212 1.00 0.00 H new ATOM 1705 N THR A 110 -6.261 3.200 5.843 1.00 0.00 N ATOM 1706 CA THR A 110 -7.400 4.018 5.607 1.00 0.00 C ATOM 1707 C THR A 110 -7.527 4.182 4.101 1.00 0.00 C ATOM 1708 O THR A 110 -6.677 3.695 3.374 1.00 0.00 O ATOM 1709 CB THR A 110 -7.218 5.387 6.309 1.00 0.00 C ATOM 1710 OG1 THR A 110 -6.041 6.028 5.802 1.00 0.00 O ATOM 1711 CG2 THR A 110 -7.058 5.196 7.823 1.00 0.00 C ATOM 0 H THR A 110 -5.389 3.579 5.473 1.00 0.00 H new ATOM 0 HA THR A 110 -8.306 3.566 6.010 1.00 0.00 H new ATOM 0 HB THR A 110 -8.099 5.998 6.113 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.088 6.990 5.984 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.931 6.167 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.946 4.708 8.224 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.183 4.577 8.021 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.555 4.815 3.615 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.683 4.994 2.182 1.00 0.00 C ATOM 1721 C PHE A 111 -9.360 6.292 1.839 1.00 0.00 C ATOM 1722 O PHE A 111 -9.971 6.929 2.711 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.352 3.783 1.489 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.672 3.371 2.054 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -11.846 3.964 1.626 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.737 2.370 3.007 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -13.057 3.572 2.142 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.939 1.976 3.526 1.00 0.00 C ATOM 1729 CZ PHE A 111 -13.104 2.578 3.092 1.00 0.00 C ATOM 0 H PHE A 111 -9.311 5.214 4.172 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.670 5.049 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.485 4.018 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.671 2.933 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.810 4.743 0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.828 1.895 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.968 4.042 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -11.977 1.197 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 111 -14.055 2.267 3.500 1.00 0.00 H new ATOM 1739 N GLU A 112 -9.220 6.687 0.591 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.762 7.924 0.065 1.00 0.00 C ATOM 1741 C GLU A 112 -9.643 7.951 -1.440 1.00 0.00 C ATOM 1742 O GLU A 112 -9.255 6.944 -2.063 1.00 0.00 O ATOM 1743 CB GLU A 112 -9.090 9.168 0.710 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.580 9.091 0.870 1.00 0.00 C ATOM 1745 CD GLU A 112 -7.053 10.244 1.683 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -7.289 10.278 2.907 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -6.400 11.138 1.135 1.00 0.00 O ATOM 0 H GLU A 112 -8.712 6.142 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.819 7.966 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.329 10.042 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.534 9.330 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.311 8.151 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.108 9.091 -0.113 1.00 0.00 H new ATOM 1754 N SER A 113 -10.027 9.067 -2.018 1.00 0.00 N ATOM 1755 CA SER A 113 -9.914 9.296 -3.431 1.00 0.00 C ATOM 1756 C SER A 113 -8.437 9.240 -3.833 1.00 0.00 C ATOM 1757 O SER A 113 -7.605 9.846 -3.196 1.00 0.00 O ATOM 1758 CB SER A 113 -10.510 10.670 -3.742 1.00 0.00 C ATOM 1759 OG SER A 113 -11.873 10.751 -3.309 1.00 0.00 O ATOM 0 H SER A 113 -10.433 9.851 -1.506 1.00 0.00 H new ATOM 0 HA SER A 113 -10.452 8.534 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.922 11.445 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.454 10.860 -4.814 1.00 0.00 H new ATOM 0 HG SER A 113 -12.230 11.639 -3.518 1.00 0.00 H new ATOM 1765 N CYS A 114 -8.134 8.538 -4.909 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.745 8.328 -5.381 1.00 0.00 C ATOM 1767 C CYS A 114 -6.089 9.654 -5.824 1.00 0.00 C ATOM 1768 O CYS A 114 -4.886 9.735 -6.083 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.780 7.347 -6.551 1.00 0.00 C ATOM 1770 SG CYS A 114 -7.857 5.907 -6.247 1.00 0.00 S ATOM 0 H CYS A 114 -8.837 8.088 -5.495 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.148 7.929 -4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.124 7.868 -7.444 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.768 6.999 -6.756 1.00 0.00 H new ATOM 1775 N ASN A 115 -6.893 10.673 -5.878 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.508 11.972 -6.347 1.00 0.00 C ATOM 1777 C ASN A 115 -6.195 12.953 -5.211 1.00 0.00 C ATOM 1778 O ASN A 115 -5.967 14.137 -5.470 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.598 12.534 -7.275 1.00 0.00 C ATOM 1780 CG ASN A 115 -8.997 12.459 -6.674 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -9.690 11.359 -6.919 1.00 0.00 O flip ATOM 1782 ND2 ASN A 115 -9.450 13.361 -5.992 1.00 0.00 N flip ATOM 0 H ASN A 115 -7.869 10.622 -5.587 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.579 11.853 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.366 13.573 -7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.584 11.984 -8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -8.894 14.198 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.386 13.279 -5.594 1.00 0.00 H new ATOM 1789 N SER A 116 -6.183 12.501 -3.970 1.00 0.00 N ATOM 1790 CA SER A 116 -5.798 13.380 -2.894 1.00 0.00 C ATOM 1791 C SER A 116 -4.261 13.459 -2.765 1.00 0.00 C ATOM 1792 O SER A 116 -3.533 12.587 -3.271 1.00 0.00 O ATOM 1793 CB SER A 116 -6.456 12.933 -1.606 1.00 0.00 C ATOM 1794 OG SER A 116 -6.275 11.559 -1.421 1.00 0.00 O ATOM 0 H SER A 116 -6.430 11.552 -3.691 1.00 0.00 H new ATOM 0 HA SER A 116 -6.145 14.389 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.031 13.479 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.520 13.166 -1.633 1.00 0.00 H new ATOM 0 HG SER A 116 -6.546 11.313 -0.512 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.785 14.504 -2.126 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.350 14.732 -1.939 1.00 0.00 C ATOM 1802 C ASP A 117 -1.870 14.059 -0.667 1.00 0.00 C ATOM 1803 O ASP A 117 -2.244 14.462 0.448 1.00 0.00 O ATOM 1804 CB ASP A 117 -2.061 16.242 -1.912 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.659 16.626 -1.526 1.00 0.00 C ATOM 1806 OD1 ASP A 117 0.215 16.705 -2.403 1.00 0.00 O ATOM 1807 OD2 ASP A 117 -0.431 16.938 -0.330 1.00 0.00 O ATOM 0 H ASP A 117 -4.375 15.228 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.805 14.293 -2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.273 16.652 -2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.753 16.714 -1.215 1.00 0.00 H new ATOM 1812 N ASN A 118 -1.097 13.008 -0.836 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.539 12.233 0.270 1.00 0.00 C ATOM 1814 C ASN A 118 0.805 11.700 -0.133 1.00 0.00 C ATOM 1815 O ASN A 118 1.126 11.656 -1.306 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.419 11.025 0.657 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.754 11.367 1.274 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.860 11.533 2.488 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.769 11.442 0.471 1.00 0.00 N ATOM 0 H ASN A 118 -0.830 12.656 -1.756 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.477 12.904 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.594 10.424 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -0.863 10.402 1.358 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.698 11.645 0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.639 11.298 -0.530 1.00 0.00 H new ATOM 1826 N ARG A 119 1.576 11.288 0.825 1.00 0.00 N ATOM 1827 CA ARG A 119 2.876 10.698 0.562 1.00 0.00 C ATOM 1828 C ARG A 119 2.657 9.248 0.148 1.00 0.00 C ATOM 1829 O ARG A 119 1.522 8.773 0.184 1.00 0.00 O ATOM 1830 CB ARG A 119 3.768 10.760 1.808 1.00 0.00 C ATOM 1831 CG ARG A 119 3.866 12.123 2.474 1.00 0.00 C ATOM 1832 CD ARG A 119 3.192 12.145 3.840 1.00 0.00 C ATOM 1833 NE ARG A 119 1.748 11.893 3.759 1.00 0.00 N ATOM 1834 CZ ARG A 119 0.790 12.824 3.973 1.00 0.00 C ATOM 1835 NH1 ARG A 119 1.117 14.052 4.331 1.00 0.00 N ATOM 1836 NH2 ARG A 119 -0.483 12.508 3.820 1.00 0.00 N ATOM 0 H ARG A 119 1.333 11.346 1.814 1.00 0.00 H new ATOM 0 HA ARG A 119 3.379 11.252 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.392 10.044 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.772 10.437 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.915 12.397 2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.406 12.874 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.653 11.394 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.363 13.113 4.310 1.00 0.00 H new ATOM 0 HE ARG A 119 1.445 10.948 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.098 14.305 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.388 14.748 4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.744 11.562 3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.206 13.210 3.981 1.00 0.00 H new ATOM 1850 N TRP A 120 3.697 8.527 -0.196 1.00 0.00 N ATOM 1851 CA TRP A 120 3.498 7.176 -0.688 1.00 0.00 C ATOM 1852 C TRP A 120 4.662 6.270 -0.324 1.00 0.00 C ATOM 1853 O TRP A 120 5.733 6.739 0.082 1.00 0.00 O ATOM 1854 CB TRP A 120 3.282 7.182 -2.216 1.00 0.00 C ATOM 1855 CG TRP A 120 4.495 7.562 -3.014 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.365 6.705 -3.598 1.00 0.00 C ATOM 1857 CD2 TRP A 120 4.974 8.879 -3.313 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.352 7.392 -4.237 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.142 8.726 -4.080 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.537 10.164 -3.013 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 6.875 9.805 -4.544 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.270 11.233 -3.478 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.426 11.047 -4.236 1.00 0.00 C ATOM 0 H TRP A 120 4.667 8.838 -0.149 1.00 0.00 H new ATOM 0 HA TRP A 120 2.604 6.780 -0.206 1.00 0.00 H new ATOM 0 HB2 TRP A 120 2.953 6.191 -2.528 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.475 7.875 -2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.287 5.628 -3.562 1.00 0.00 H new ATOM 0 HE1 TRP A 120 7.126 6.972 -4.752 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.643 10.320 -2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 7.771 9.663 -5.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 4.943 12.237 -3.251 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.975 11.910 -4.585 1.00 0.00 H new ATOM 1874 N ILE A 121 4.451 4.984 -0.463 1.00 0.00 N ATOM 1875 CA ILE A 121 5.472 4.006 -0.200 1.00 0.00 C ATOM 1876 C ILE A 121 5.730 3.191 -1.449 1.00 0.00 C ATOM 1877 O ILE A 121 4.815 2.587 -2.018 1.00 0.00 O ATOM 1878 CB ILE A 121 5.064 3.048 0.949 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.844 3.833 2.229 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.150 1.989 1.179 1.00 0.00 C ATOM 1881 CD1 ILE A 121 4.113 3.064 3.295 1.00 0.00 C ATOM 0 H ILE A 121 3.561 4.587 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 121 6.373 4.541 0.100 1.00 0.00 H new ATOM 0 HB ILE A 121 4.137 2.549 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.811 4.149 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.282 4.738 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.846 1.326 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.290 1.408 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.086 2.480 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.994 3.691 4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.131 2.770 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.683 2.173 3.557 1.00 0.00 H new ATOM 1893 N CYS A 122 6.943 3.185 -1.870 1.00 0.00 N ATOM 1894 CA CYS A 122 7.343 2.393 -2.989 1.00 0.00 C ATOM 1895 C CYS A 122 7.997 1.156 -2.476 1.00 0.00 C ATOM 1896 O CYS A 122 8.545 1.151 -1.374 1.00 0.00 O ATOM 1897 CB CYS A 122 8.351 3.137 -3.860 1.00 0.00 C ATOM 1898 SG CYS A 122 7.728 4.608 -4.695 1.00 0.00 S ATOM 0 H CYS A 122 7.695 3.731 -1.449 1.00 0.00 H new ATOM 0 HA CYS A 122 6.462 2.165 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.198 3.426 -3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 122 8.731 2.447 -4.614 1.00 0.00 H new ATOM 1903 N GLN A 123 7.931 0.124 -3.225 1.00 0.00 N ATOM 1904 CA GLN A 123 8.652 -1.044 -2.921 1.00 0.00 C ATOM 1905 C GLN A 123 9.263 -1.492 -4.200 1.00 0.00 C ATOM 1906 O GLN A 123 8.782 -1.162 -5.258 1.00 0.00 O ATOM 1907 CB GLN A 123 7.788 -2.179 -2.360 1.00 0.00 C ATOM 1908 CG GLN A 123 6.953 -2.914 -3.395 1.00 0.00 C ATOM 1909 CD GLN A 123 6.436 -4.220 -2.874 1.00 0.00 C ATOM 1910 OE1 GLN A 123 6.172 -4.364 -1.702 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.331 -5.194 -3.735 1.00 0.00 N ATOM 0 H GLN A 123 7.369 0.067 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 123 9.380 -0.813 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.437 -2.898 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.122 -1.769 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.114 -2.286 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.555 -3.092 -4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.563 -5.035 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.017 -6.115 -3.428 1.00 0.00 H new ATOM 1920 N LYS A 124 10.288 -2.195 -4.131 1.00 0.00 N ATOM 1921 CA LYS A 124 10.836 -2.731 -5.292 1.00 0.00 C ATOM 1922 C LYS A 124 10.552 -4.192 -5.203 1.00 0.00 C ATOM 1923 O LYS A 124 10.811 -4.816 -4.158 1.00 0.00 O ATOM 1924 CB LYS A 124 12.309 -2.391 -5.385 1.00 0.00 C ATOM 1925 CG LYS A 124 12.873 -2.532 -6.774 1.00 0.00 C ATOM 1926 CD LYS A 124 14.242 -1.910 -6.849 1.00 0.00 C ATOM 1927 CE LYS A 124 14.864 -2.054 -8.225 1.00 0.00 C ATOM 1928 NZ LYS A 124 15.001 -3.480 -8.643 1.00 0.00 N ATOM 0 H LYS A 124 10.783 -2.424 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 124 10.409 -2.324 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.459 -1.367 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.866 -3.038 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.930 -3.586 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.209 -2.053 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.173 -0.853 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.892 -2.376 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.253 -1.522 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.846 -1.582 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.594 -3.536 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.445 -4.025 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.060 -3.873 -8.848 1.00 0.00 H new ATOM 1942 N GLU A 125 9.932 -4.710 -6.226 1.00 0.00 N ATOM 1943 CA GLU A 125 9.417 -6.039 -6.198 1.00 0.00 C ATOM 1944 C GLU A 125 10.497 -7.067 -6.391 1.00 0.00 C ATOM 1945 O GLU A 125 11.123 -7.165 -7.453 1.00 0.00 O ATOM 1946 CB GLU A 125 8.323 -6.196 -7.255 1.00 0.00 C ATOM 1947 CG GLU A 125 7.679 -7.569 -7.329 1.00 0.00 C ATOM 1948 CD GLU A 125 6.772 -7.710 -8.526 1.00 0.00 C ATOM 1949 OE1 GLU A 125 7.258 -8.127 -9.599 1.00 0.00 O ATOM 1950 OE2 GLU A 125 5.570 -7.395 -8.429 1.00 0.00 O ATOM 0 H GLU A 125 9.772 -4.216 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 125 8.988 -6.211 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.544 -5.459 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 125 8.748 -5.960 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.457 -8.331 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.107 -7.750 -6.419 1.00 0.00 H new ATOM 1957 N LEU A 126 10.721 -7.794 -5.352 1.00 0.00 N ATOM 1958 CA LEU A 126 11.567 -8.945 -5.380 1.00 0.00 C ATOM 1959 C LEU A 126 10.633 -10.161 -5.493 1.00 0.00 C ATOM 1960 O LEU A 126 10.932 -11.129 -6.170 1.00 0.00 O ATOM 1961 CB LEU A 126 12.433 -9.046 -4.094 1.00 0.00 C ATOM 1962 CG LEU A 126 13.660 -8.101 -3.859 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.355 -6.646 -4.045 1.00 0.00 C ATOM 1964 CD2 LEU A 126 14.203 -8.343 -2.462 1.00 0.00 C ATOM 0 H LEU A 126 10.314 -7.604 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 126 12.262 -8.891 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.760 -8.909 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.806 -10.069 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 126 14.401 -8.347 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.256 -6.059 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.008 -6.474 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.579 -6.344 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 126 15.058 -7.691 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 126 13.426 -8.129 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.515 -9.383 -2.368 1.00 0.00 H new ATOM 1976 N TYR A 127 9.456 -10.045 -4.859 1.00 0.00 N ATOM 1977 CA TYR A 127 8.401 -11.067 -4.854 1.00 0.00 C ATOM 1978 C TYR A 127 7.021 -10.415 -4.819 1.00 0.00 C ATOM 1979 O TYR A 127 6.904 -9.204 -4.618 1.00 0.00 O ATOM 1980 CB TYR A 127 8.497 -11.978 -3.629 1.00 0.00 C ATOM 1981 CG TYR A 127 9.342 -13.213 -3.790 1.00 0.00 C ATOM 1982 CD1 TYR A 127 10.714 -13.162 -3.707 1.00 0.00 C ATOM 1983 CD2 TYR A 127 8.742 -14.444 -4.016 1.00 0.00 C ATOM 1984 CE1 TYR A 127 11.473 -14.298 -3.843 1.00 0.00 C ATOM 1985 CE2 TYR A 127 9.496 -15.588 -4.147 1.00 0.00 C ATOM 1986 CZ TYR A 127 10.863 -15.509 -4.062 1.00 0.00 C ATOM 1987 OH TYR A 127 11.629 -16.654 -4.191 1.00 0.00 O ATOM 0 H TYR A 127 9.206 -9.215 -4.322 1.00 0.00 H new ATOM 0 HA TYR A 127 8.537 -11.652 -5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.895 -11.396 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 127 7.489 -12.285 -3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 127 11.202 -12.214 -3.532 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.666 -14.505 -4.090 1.00 0.00 H new ATOM 0 HE1 TYR A 127 12.549 -14.239 -3.778 1.00 0.00 H new ATOM 0 HE2 TYR A 127 9.015 -16.540 -4.315 1.00 0.00 H new ATOM 0 HH TYR A 127 11.043 -17.425 -4.341 1.00 0.00 H new ATOM 1997 N HIS A 128 5.989 -11.240 -4.976 1.00 0.00 N ATOM 1998 CA HIS A 128 4.584 -10.839 -4.903 1.00 0.00 C ATOM 1999 C HIS A 128 3.773 -12.089 -4.627 1.00 0.00 C ATOM 2000 O HIS A 128 4.279 -13.170 -4.869 1.00 0.00 O ATOM 2001 CB HIS A 128 4.094 -10.146 -6.205 1.00 0.00 C ATOM 2002 CG HIS A 128 4.204 -10.958 -7.480 1.00 0.00 C ATOM 2003 ND1 HIS A 128 3.191 -11.757 -7.963 1.00 0.00 N ATOM 2004 CD2 HIS A 128 5.210 -11.056 -8.382 1.00 0.00 C ATOM 2005 CE1 HIS A 128 3.572 -12.306 -9.096 1.00 0.00 C ATOM 2006 NE2 HIS A 128 4.788 -11.897 -9.369 1.00 0.00 N ATOM 0 H HIS A 128 6.109 -12.235 -5.163 1.00 0.00 H new ATOM 0 HA HIS A 128 4.460 -10.103 -4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.051 -9.862 -6.069 1.00 0.00 H new ATOM 0 HB3 HIS A 128 4.661 -9.224 -6.336 1.00 0.00 H new ATOM 0 HD2 HIS A 128 6.168 -10.560 -8.329 1.00 0.00 H new ATOM 0 HE1 HIS A 128 2.983 -12.980 -9.700 1.00 0.00 H new ATOM 0 HE2 HIS A 128 5.332 -12.165 -10.189 1.00 0.00 H new ATOM 2015 N GLU A 129 2.544 -11.949 -4.122 1.00 0.00 N ATOM 2016 CA GLU A 129 1.688 -13.104 -3.801 1.00 0.00 C ATOM 2017 C GLU A 129 0.197 -12.827 -3.896 1.00 0.00 C ATOM 2018 O GLU A 129 -0.241 -11.689 -4.043 1.00 0.00 O ATOM 2019 CB GLU A 129 2.020 -13.753 -2.448 1.00 0.00 C ATOM 2020 CG GLU A 129 3.042 -14.873 -2.536 1.00 0.00 C ATOM 2021 CD GLU A 129 2.548 -15.991 -3.444 1.00 0.00 C ATOM 2022 OE1 GLU A 129 1.322 -16.279 -3.449 1.00 0.00 O ATOM 2023 OE2 GLU A 129 3.350 -16.572 -4.209 1.00 0.00 O ATOM 0 H GLU A 129 2.115 -11.045 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 129 1.930 -13.818 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.394 -12.986 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.102 -14.145 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.985 -14.481 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 129 3.240 -15.269 -1.540 1.00 0.00 H new ATOM 2030 N THR A 130 -0.555 -13.896 -3.798 1.00 0.00 N ATOM 2031 CA THR A 130 -1.997 -13.902 -3.887 1.00 0.00 C ATOM 2032 C THR A 130 -2.591 -14.613 -2.668 1.00 0.00 C ATOM 2033 O THR A 130 -2.401 -15.815 -2.525 1.00 0.00 O ATOM 2034 CB THR A 130 -2.406 -14.705 -5.149 1.00 0.00 C ATOM 2035 OG1 THR A 130 -1.971 -14.035 -6.351 1.00 0.00 O ATOM 2036 CG2 THR A 130 -3.905 -14.992 -5.183 1.00 0.00 C ATOM 0 H THR A 130 -0.163 -14.826 -3.648 1.00 0.00 H new ATOM 0 HA THR A 130 -2.361 -12.875 -3.933 1.00 0.00 H new ATOM 0 HB THR A 130 -1.900 -15.669 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 130 -2.239 -14.561 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.147 -15.556 -6.084 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.184 -15.574 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.456 -14.051 -5.185 1.00 0.00 H new