USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= -4.23! C(o=-4.2!,f=-8!) USER MOD Set 2.1: A 5 ASN :FLIP amide:sc= -2.76! C(o=-8.5!,f=-6.9!) USER MOD Set 2.2: A 13 THR OG1 : rot -119:sc= -4.13! USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.0158 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -9.51! C(o=-9.5!,f=-11!) USER MOD Single : A 6 GLN : amide:sc= -7.25! C(o=-7.2!,f=-8.4!) USER MOD Single : A 7 GLN : amide:sc= -1.69 K(o=-1.7,f=-8.4!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.347 F(o=-1.4,f=-0.35) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=0.000102 USER MOD Single : A 18 SER OG : rot -13:sc= 0.801! USER MOD Single : A 24 TYR OH : rot 165:sc= -0.089 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 0.324 (180deg=-0.631!) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= 0.147 (180deg=0.0696) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.53! USER MOD Single : A 60 ASN : amide:sc= -3.03! C(o=-3!,f=-20!) USER MOD Single : A 61 ASN : amide:sc= -0.658 K(o=-0.66,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.163 -15.212 2.213 1.00 0.00 N ATOM 2 CA LEU A 1 -5.794 -14.229 1.209 1.00 0.00 C ATOM 3 C LEU A 1 -4.618 -13.397 1.724 1.00 0.00 C ATOM 4 O LEU A 1 -4.622 -12.954 2.872 1.00 0.00 O ATOM 5 CB LEU A 1 -7.010 -13.392 0.807 1.00 0.00 C ATOM 6 CG LEU A 1 -6.727 -12.183 -0.087 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.560 -12.608 -1.547 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.807 -11.113 0.079 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.199 -15.265 2.282 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.786 -16.143 1.943 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.769 -14.933 3.134 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.460 -14.723 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.719 -14.041 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.500 -13.041 1.715 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.783 -11.738 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.360 -11.730 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.727 -13.306 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.474 -13.091 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.581 -10.265 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.777 -11.529 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.834 -10.781 1.117 1.00 0.00 H new ATOM 22 N GLU A 2 -3.640 -13.209 0.851 1.00 0.00 N ATOM 23 CA GLU A 2 -2.460 -12.438 1.203 1.00 0.00 C ATOM 24 C GLU A 2 -2.473 -11.089 0.482 1.00 0.00 C ATOM 25 O GLU A 2 -2.943 -10.991 -0.650 1.00 0.00 O ATOM 26 CB GLU A 2 -1.181 -13.217 0.887 1.00 0.00 C ATOM 27 CG GLU A 2 -1.276 -14.656 1.397 1.00 0.00 C ATOM 28 CD GLU A 2 -0.168 -15.524 0.797 1.00 0.00 C ATOM 29 OE1 GLU A 2 1.003 -15.281 1.161 1.00 0.00 O ATOM 30 OE2 GLU A 2 -0.517 -16.410 -0.012 1.00 0.00 O ATOM 0 H GLU A 2 -3.640 -13.578 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.477 -12.254 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.009 -13.219 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.326 -12.721 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.202 -14.666 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.250 -15.073 1.140 1.00 0.00 H new ATOM 37 N CYS A 3 -1.951 -10.082 1.168 1.00 0.00 N ATOM 38 CA CYS A 3 -1.896 -8.743 0.607 1.00 0.00 C ATOM 39 C CYS A 3 -0.526 -8.143 0.929 1.00 0.00 C ATOM 40 O CYS A 3 -0.029 -8.285 2.045 1.00 0.00 O ATOM 41 CB CYS A 3 -3.039 -7.867 1.123 1.00 0.00 C ATOM 42 SG CYS A 3 -4.686 -8.665 1.108 1.00 0.00 S ATOM 0 H CYS A 3 -1.562 -10.167 2.107 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.024 -8.793 -0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.810 -7.559 2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.085 -6.961 0.519 1.00 0.00 H new ATOM 47 N HIS A 4 0.045 -7.484 -0.069 1.00 0.00 N ATOM 48 CA HIS A 4 1.348 -6.862 0.094 1.00 0.00 C ATOM 49 C HIS A 4 1.263 -5.766 1.158 1.00 0.00 C ATOM 50 O HIS A 4 0.329 -4.966 1.158 1.00 0.00 O ATOM 51 CB HIS A 4 1.875 -6.346 -1.247 1.00 0.00 C ATOM 52 CG HIS A 4 2.585 -7.394 -2.071 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.948 -7.618 -1.986 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.106 -8.275 -2.996 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.265 -8.592 -2.827 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.122 -8.997 -3.452 1.00 0.00 N ATOM 0 H HIS A 4 -0.371 -7.367 -0.993 1.00 0.00 H new ATOM 0 HA HIS A 4 2.068 -7.603 0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.041 -5.948 -1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.559 -5.518 -1.063 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.598 -7.118 -1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.075 -8.369 -3.305 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.254 -8.994 -2.989 1.00 0.00 H new ATOM 65 N ASN A 5 2.252 -5.765 2.040 1.00 0.00 N ATOM 66 CA ASN A 5 2.301 -4.781 3.108 1.00 0.00 C ATOM 67 C ASN A 5 3.550 -3.914 2.939 1.00 0.00 C ATOM 68 O ASN A 5 3.911 -3.157 3.839 1.00 0.00 O ATOM 69 CB ASN A 5 2.377 -5.458 4.478 1.00 0.00 C ATOM 70 CG ASN A 5 3.801 -5.929 4.779 1.00 0.00 C ATOM 71 OD1 ASN A 5 3.909 -7.242 4.965 1.00 0.00 O flip ATOM 72 ND2 ASN A 5 4.740 -5.152 4.837 1.00 0.00 N flip ATOM 0 H ASN A 5 3.025 -6.430 2.037 1.00 0.00 H new ATOM 0 HA ASN A 5 1.394 -4.179 3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.050 -4.762 5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.696 -6.308 4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.587 -4.155 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.678 -5.499 5.039 1.00 0.00 H new ATOM 79 N GLN A 6 4.176 -4.053 1.780 1.00 0.00 N ATOM 80 CA GLN A 6 5.378 -3.292 1.482 1.00 0.00 C ATOM 81 C GLN A 6 5.057 -1.797 1.420 1.00 0.00 C ATOM 82 O GLN A 6 4.004 -1.405 0.921 1.00 0.00 O ATOM 83 CB GLN A 6 6.020 -3.770 0.178 1.00 0.00 C ATOM 84 CG GLN A 6 4.954 -4.111 -0.865 1.00 0.00 C ATOM 85 CD GLN A 6 5.449 -3.794 -2.278 1.00 0.00 C ATOM 86 OE1 GLN A 6 4.679 -3.560 -3.195 1.00 0.00 O ATOM 87 NE2 GLN A 6 6.773 -3.802 -2.402 1.00 0.00 N ATOM 0 H GLN A 6 3.874 -4.681 1.036 1.00 0.00 H new ATOM 0 HA GLN A 6 6.098 -3.456 2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.680 -2.995 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.637 -4.647 0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.696 -5.168 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.045 -3.546 -0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.360 -4.006 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.202 -3.604 -3.306 1.00 0.00 H new ATOM 96 N GLN A 7 5.985 -1.004 1.935 1.00 0.00 N ATOM 97 CA GLN A 7 5.814 0.439 1.945 1.00 0.00 C ATOM 98 C GLN A 7 6.729 1.088 0.904 1.00 0.00 C ATOM 99 O GLN A 7 7.740 0.508 0.513 1.00 0.00 O ATOM 100 CB GLN A 7 6.076 1.013 3.339 1.00 0.00 C ATOM 101 CG GLN A 7 7.200 0.250 4.043 1.00 0.00 C ATOM 102 CD GLN A 7 6.658 -0.991 4.755 1.00 0.00 C ATOM 103 OE1 GLN A 7 6.533 -2.062 4.182 1.00 0.00 O ATOM 104 NE2 GLN A 7 6.345 -0.790 6.032 1.00 0.00 N ATOM 0 H GLN A 7 6.857 -1.333 2.348 1.00 0.00 H new ATOM 0 HA GLN A 7 4.780 0.665 1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.342 2.067 3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.165 0.959 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.956 -0.045 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.691 0.903 4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.474 0.131 6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.976 -1.557 6.593 1.00 0.00 H new ATOM 113 N SER A 8 6.340 2.284 0.485 1.00 0.00 N ATOM 114 CA SER A 8 7.112 3.018 -0.503 1.00 0.00 C ATOM 115 C SER A 8 7.699 2.051 -1.532 1.00 0.00 C ATOM 116 O SER A 8 6.979 1.233 -2.102 1.00 0.00 O ATOM 117 CB SER A 8 8.227 3.829 0.161 1.00 0.00 C ATOM 118 OG SER A 8 7.739 4.626 1.237 1.00 0.00 O ATOM 0 H SER A 8 5.501 2.762 0.812 1.00 0.00 H new ATOM 0 HA SER A 8 6.445 3.716 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.997 3.152 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.699 4.472 -0.582 1.00 0.00 H new ATOM 0 HG SER A 8 8.481 5.127 1.636 1.00 0.00 H new ATOM 124 N SER A 9 9.002 2.177 -1.739 1.00 0.00 N ATOM 125 CA SER A 9 9.695 1.325 -2.690 1.00 0.00 C ATOM 126 C SER A 9 10.356 0.155 -1.959 1.00 0.00 C ATOM 127 O SER A 9 11.015 -0.678 -2.581 1.00 0.00 O ATOM 128 CB SER A 9 10.739 2.116 -3.480 1.00 0.00 C ATOM 129 OG SER A 9 11.576 2.893 -2.628 1.00 0.00 O ATOM 0 H SER A 9 9.596 2.857 -1.264 1.00 0.00 H new ATOM 0 HA SER A 9 8.963 0.936 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.352 1.427 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.236 2.772 -4.190 1.00 0.00 H new ATOM 0 HG SER A 9 12.230 3.382 -3.170 1.00 0.00 H new ATOM 135 N GLN A 10 10.156 0.128 -0.650 1.00 0.00 N ATOM 136 CA GLN A 10 10.725 -0.927 0.173 1.00 0.00 C ATOM 137 C GLN A 10 10.527 -2.287 -0.498 1.00 0.00 C ATOM 138 O GLN A 10 9.775 -2.404 -1.465 1.00 0.00 O ATOM 139 CB GLN A 10 10.118 -0.914 1.577 1.00 0.00 C ATOM 140 CG GLN A 10 10.153 0.493 2.177 1.00 0.00 C ATOM 141 CD GLN A 10 11.519 1.147 1.962 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.541 2.043 0.979 1.00 0.00 O flip ATOM 143 NE2 GLN A 10 12.489 0.857 2.643 1.00 0.00 N flip ATOM 0 H GLN A 10 9.608 0.819 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 10 11.795 -0.746 0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.089 -1.270 1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.667 -1.601 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.376 1.106 1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.934 0.443 3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.403 0.160 3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.386 1.312 2.473 1.00 0.00 H new ATOM 152 N PRO A 11 11.216 -3.283 0.042 1.00 0.00 N ATOM 153 CA PRO A 11 11.180 -4.666 -0.436 1.00 0.00 C ATOM 154 C PRO A 11 9.747 -5.199 -0.378 1.00 0.00 C ATOM 155 O PRO A 11 8.998 -4.875 0.542 1.00 0.00 O ATOM 156 CB PRO A 11 12.056 -5.419 0.567 1.00 0.00 C ATOM 157 CG PRO A 11 12.972 -4.360 1.108 1.00 0.00 C ATOM 158 CD PRO A 11 12.109 -3.133 1.193 1.00 0.00 C ATOM 0 HA PRO A 11 11.522 -4.771 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.459 -5.873 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.614 -6.223 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.367 -4.637 2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.827 -4.200 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.556 -3.092 2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.699 -2.219 1.131 1.00 0.00 H new ATOM 166 N PRO A 12 9.408 -6.008 -1.372 1.00 0.00 N ATOM 167 CA PRO A 12 8.092 -6.632 -1.517 1.00 0.00 C ATOM 168 C PRO A 12 7.784 -7.489 -0.287 1.00 0.00 C ATOM 169 O PRO A 12 8.556 -8.382 0.059 1.00 0.00 O ATOM 170 CB PRO A 12 8.249 -7.526 -2.749 1.00 0.00 C ATOM 171 CG PRO A 12 9.362 -6.880 -3.521 1.00 0.00 C ATOM 172 CD PRO A 12 10.309 -6.388 -2.463 1.00 0.00 C ATOM 0 HA PRO A 12 7.284 -5.907 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.497 -8.550 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.329 -7.568 -3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.847 -7.591 -4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.995 -6.060 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.011 -7.163 -2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.901 -5.542 -2.812 1.00 0.00 H new ATOM 180 N THR A 13 6.656 -7.188 0.338 1.00 0.00 N ATOM 181 CA THR A 13 6.238 -7.920 1.522 1.00 0.00 C ATOM 182 C THR A 13 4.778 -8.357 1.391 1.00 0.00 C ATOM 183 O THR A 13 4.074 -7.919 0.482 1.00 0.00 O ATOM 184 CB THR A 13 6.501 -7.036 2.742 1.00 0.00 C ATOM 185 OG1 THR A 13 6.176 -5.722 2.295 1.00 0.00 O ATOM 186 CG2 THR A 13 7.987 -6.953 3.097 1.00 0.00 C ATOM 0 H THR A 13 6.018 -6.447 0.047 1.00 0.00 H new ATOM 0 HA THR A 13 6.810 -8.840 1.641 1.00 0.00 H new ATOM 0 HB THR A 13 5.946 -7.423 3.597 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.970 -5.150 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.117 -6.313 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.364 -7.951 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.539 -6.535 2.255 1.00 0.00 H new ATOM 194 N THR A 14 4.366 -9.216 2.312 1.00 0.00 N ATOM 195 CA THR A 14 3.002 -9.717 2.310 1.00 0.00 C ATOM 196 C THR A 14 2.517 -9.947 3.743 1.00 0.00 C ATOM 197 O THR A 14 3.324 -10.102 4.658 1.00 0.00 O ATOM 198 CB THR A 14 2.962 -10.979 1.446 1.00 0.00 C ATOM 199 OG1 THR A 14 4.189 -11.641 1.742 1.00 0.00 O ATOM 200 CG2 THR A 14 3.058 -10.667 -0.049 1.00 0.00 C ATOM 0 H THR A 14 4.952 -9.578 3.064 1.00 0.00 H new ATOM 0 HA THR A 14 2.314 -8.989 1.879 1.00 0.00 H new ATOM 0 HB THR A 14 2.041 -11.526 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.245 -12.472 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.025 -11.596 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.222 -10.032 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.995 -10.150 -0.253 1.00 0.00 H new ATOM 208 N LYS A 15 1.201 -9.963 3.893 1.00 0.00 N ATOM 209 CA LYS A 15 0.598 -10.171 5.199 1.00 0.00 C ATOM 210 C LYS A 15 -0.753 -10.867 5.027 1.00 0.00 C ATOM 211 O LYS A 15 -1.438 -10.662 4.027 1.00 0.00 O ATOM 212 CB LYS A 15 0.517 -8.852 5.968 1.00 0.00 C ATOM 213 CG LYS A 15 -0.552 -7.934 5.371 1.00 0.00 C ATOM 214 CD LYS A 15 -0.931 -6.823 6.353 1.00 0.00 C ATOM 215 CE LYS A 15 0.298 -6.316 7.109 1.00 0.00 C ATOM 216 NZ LYS A 15 0.019 -5.002 7.730 1.00 0.00 N ATOM 0 H LYS A 15 0.535 -9.835 3.131 1.00 0.00 H new ATOM 0 HA LYS A 15 1.221 -10.829 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.287 -9.051 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.485 -8.352 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.183 -7.495 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.437 -8.517 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.396 -5.998 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.670 -7.196 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.582 -7.035 7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.143 -6.230 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.864 -4.672 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.230 -4.314 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.773 -5.095 8.397 1.00 0.00 H new ATOM 230 N THR A 16 -1.096 -11.677 6.019 1.00 0.00 N ATOM 231 CA THR A 16 -2.354 -12.404 5.990 1.00 0.00 C ATOM 232 C THR A 16 -3.513 -11.481 6.369 1.00 0.00 C ATOM 233 O THR A 16 -3.427 -10.741 7.349 1.00 0.00 O ATOM 234 CB THR A 16 -2.218 -13.619 6.910 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.902 -14.102 6.656 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.127 -14.776 6.490 1.00 0.00 C ATOM 0 H THR A 16 -0.525 -11.845 6.847 1.00 0.00 H new ATOM 0 HA THR A 16 -2.581 -12.762 4.986 1.00 0.00 H new ATOM 0 HB THR A 16 -2.452 -13.327 7.934 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.729 -14.889 7.213 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.992 -15.612 7.176 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.167 -14.450 6.516 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.871 -15.091 5.478 1.00 0.00 H new ATOM 244 N CYS A 17 -4.570 -11.554 5.574 1.00 0.00 N ATOM 245 CA CYS A 17 -5.745 -10.733 5.815 1.00 0.00 C ATOM 246 C CYS A 17 -6.671 -11.488 6.771 1.00 0.00 C ATOM 247 O CYS A 17 -7.096 -12.604 6.477 1.00 0.00 O ATOM 248 CB CYS A 17 -6.453 -10.363 4.510 1.00 0.00 C ATOM 249 SG CYS A 17 -5.335 -9.962 3.117 1.00 0.00 S ATOM 0 H CYS A 17 -4.638 -12.169 4.763 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.445 -9.789 6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.096 -11.192 4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.102 -9.507 4.695 1.00 0.00 H new ATOM 254 N SER A 18 -6.955 -10.849 7.896 1.00 0.00 N ATOM 255 CA SER A 18 -7.822 -11.446 8.897 1.00 0.00 C ATOM 256 C SER A 18 -9.214 -10.814 8.828 1.00 0.00 C ATOM 257 O SER A 18 -9.370 -9.619 9.071 1.00 0.00 O ATOM 258 CB SER A 18 -7.235 -11.285 10.301 1.00 0.00 C ATOM 259 OG SER A 18 -7.652 -10.069 10.917 1.00 0.00 O ATOM 0 H SER A 18 -6.600 -9.924 8.136 1.00 0.00 H new ATOM 0 HA SER A 18 -7.903 -12.512 8.687 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.540 -12.128 10.920 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.147 -11.308 10.244 1.00 0.00 H new ATOM 0 HG SER A 18 -8.059 -9.484 10.244 1.00 0.00 H new ATOM 265 N GLY A 19 -10.191 -11.646 8.496 1.00 0.00 N ATOM 266 CA GLY A 19 -11.564 -11.184 8.392 1.00 0.00 C ATOM 267 C GLY A 19 -11.790 -10.428 7.081 1.00 0.00 C ATOM 268 O GLY A 19 -12.927 -10.122 6.725 1.00 0.00 O ATOM 0 H GLY A 19 -10.058 -12.637 8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.243 -12.035 8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.798 -10.535 9.236 1.00 0.00 H new ATOM 272 N GLU A 20 -10.689 -10.149 6.398 1.00 0.00 N ATOM 273 CA GLU A 20 -10.753 -9.434 5.134 1.00 0.00 C ATOM 274 C GLU A 20 -10.557 -10.403 3.967 1.00 0.00 C ATOM 275 O GLU A 20 -10.027 -11.499 4.147 1.00 0.00 O ATOM 276 CB GLU A 20 -9.722 -8.306 5.090 1.00 0.00 C ATOM 277 CG GLU A 20 -9.613 -7.609 6.448 1.00 0.00 C ATOM 278 CD GLU A 20 -8.959 -6.232 6.306 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.719 -6.207 6.150 1.00 0.00 O ATOM 280 OE2 GLU A 20 -9.714 -5.238 6.358 1.00 0.00 O ATOM 0 H GLU A 20 -9.748 -10.405 6.696 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.741 -8.982 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.750 -8.708 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.004 -7.581 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.605 -7.501 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.028 -8.225 7.131 1.00 0.00 H new ATOM 287 N THR A 21 -10.994 -9.965 2.795 1.00 0.00 N ATOM 288 CA THR A 21 -10.872 -10.779 1.598 1.00 0.00 C ATOM 289 C THR A 21 -10.465 -9.915 0.404 1.00 0.00 C ATOM 290 O THR A 21 -10.588 -10.338 -0.744 1.00 0.00 O ATOM 291 CB THR A 21 -12.197 -11.516 1.392 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.189 -10.528 1.659 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.443 -12.588 2.455 1.00 0.00 C ATOM 0 H THR A 21 -11.433 -9.056 2.649 1.00 0.00 H new ATOM 0 HA THR A 21 -10.082 -11.523 1.704 1.00 0.00 H new ATOM 0 HB THR A 21 -12.206 -11.976 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.080 -10.920 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.396 -13.080 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.641 -13.325 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.468 -12.124 3.441 1.00 0.00 H new ATOM 301 N ASN A 22 -9.988 -8.718 0.715 1.00 0.00 N ATOM 302 CA ASN A 22 -9.561 -7.791 -0.318 1.00 0.00 C ATOM 303 C ASN A 22 -8.217 -7.176 0.077 1.00 0.00 C ATOM 304 O ASN A 22 -7.887 -7.105 1.260 1.00 0.00 O ATOM 305 CB ASN A 22 -10.570 -6.653 -0.487 1.00 0.00 C ATOM 306 CG ASN A 22 -11.943 -7.193 -0.891 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.294 -7.260 -2.057 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.698 -7.573 0.136 1.00 0.00 N ATOM 0 H ASN A 22 -9.888 -8.369 1.668 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.479 -8.344 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.655 -6.096 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.213 -5.955 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.632 -7.947 -0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.343 -7.490 1.088 1.00 0.00 H new ATOM 315 N CYS A 23 -7.478 -6.746 -0.935 1.00 0.00 N ATOM 316 CA CYS A 23 -6.178 -6.140 -0.708 1.00 0.00 C ATOM 317 C CYS A 23 -6.231 -4.691 -1.196 1.00 0.00 C ATOM 318 O CYS A 23 -6.782 -4.411 -2.260 1.00 0.00 O ATOM 319 CB CYS A 23 -5.058 -6.930 -1.388 1.00 0.00 C ATOM 320 SG CYS A 23 -5.013 -8.711 -0.970 1.00 0.00 S ATOM 0 H CYS A 23 -7.755 -6.806 -1.915 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.949 -6.156 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.164 -6.827 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.101 -6.483 -1.117 1.00 0.00 H new ATOM 325 N TYR A 24 -5.652 -3.808 -0.396 1.00 0.00 N ATOM 326 CA TYR A 24 -5.627 -2.395 -0.733 1.00 0.00 C ATOM 327 C TYR A 24 -4.191 -1.902 -0.922 1.00 0.00 C ATOM 328 O TYR A 24 -3.258 -2.460 -0.346 1.00 0.00 O ATOM 329 CB TYR A 24 -6.251 -1.666 0.458 1.00 0.00 C ATOM 330 CG TYR A 24 -5.290 -1.453 1.630 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.493 -0.327 1.673 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.221 -2.386 2.644 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.589 -0.126 2.776 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.317 -2.186 3.747 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.546 -1.066 3.758 1.00 0.00 C ATOM 336 OH TYR A 24 -2.692 -0.876 4.800 1.00 0.00 O ATOM 0 H TYR A 24 -5.196 -4.044 0.485 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.165 -2.213 -1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.621 -0.697 0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.114 -2.234 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.547 0.403 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.845 -3.267 2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.960 0.751 2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.253 -2.909 4.547 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.930 -1.482 5.533 1.00 0.00 H new ATOM 346 N LYS A 25 -4.058 -0.861 -1.731 1.00 0.00 N ATOM 347 CA LYS A 25 -2.752 -0.287 -2.004 1.00 0.00 C ATOM 348 C LYS A 25 -2.866 1.239 -2.033 1.00 0.00 C ATOM 349 O LYS A 25 -3.572 1.796 -2.872 1.00 0.00 O ATOM 350 CB LYS A 25 -2.160 -0.883 -3.282 1.00 0.00 C ATOM 351 CG LYS A 25 -0.972 -0.055 -3.775 1.00 0.00 C ATOM 352 CD LYS A 25 -0.026 -0.904 -4.626 1.00 0.00 C ATOM 353 CE LYS A 25 -0.421 -0.851 -6.103 1.00 0.00 C ATOM 354 NZ LYS A 25 -0.521 0.553 -6.563 1.00 0.00 N ATOM 0 H LYS A 25 -4.834 -0.400 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.052 -0.540 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.840 -1.908 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.926 -0.924 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.332 0.791 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.431 0.354 -2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.997 -0.546 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.045 -1.937 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.317 -1.385 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.376 -1.356 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.434 0.586 -7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.441 0.946 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.242 1.114 -6.134 1.00 0.00 H new ATOM 368 N LYS A 26 -2.162 1.871 -1.105 1.00 0.00 N ATOM 369 CA LYS A 26 -2.176 3.321 -1.014 1.00 0.00 C ATOM 370 C LYS A 26 -0.818 3.868 -1.458 1.00 0.00 C ATOM 371 O LYS A 26 0.221 3.288 -1.148 1.00 0.00 O ATOM 372 CB LYS A 26 -2.588 3.766 0.390 1.00 0.00 C ATOM 373 CG LYS A 26 -3.542 2.753 1.028 1.00 0.00 C ATOM 374 CD LYS A 26 -3.831 3.115 2.486 1.00 0.00 C ATOM 375 CE LYS A 26 -2.533 3.263 3.282 1.00 0.00 C ATOM 376 NZ LYS A 26 -2.818 3.316 4.733 1.00 0.00 N ATOM 0 H LYS A 26 -1.578 1.405 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.925 3.738 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.702 3.880 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.069 4.743 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.475 2.722 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.106 1.755 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.396 4.046 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.454 2.344 2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.870 2.426 3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.012 4.170 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.004 3.730 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.661 3.902 4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.989 2.354 5.089 1.00 0.00 H new ATOM 390 N TRP A 27 -0.870 4.980 -2.178 1.00 0.00 N ATOM 391 CA TRP A 27 0.343 5.612 -2.668 1.00 0.00 C ATOM 392 C TRP A 27 0.024 7.078 -2.967 1.00 0.00 C ATOM 393 O TRP A 27 -1.076 7.399 -3.414 1.00 0.00 O ATOM 394 CB TRP A 27 0.901 4.863 -3.880 1.00 0.00 C ATOM 395 CG TRP A 27 0.061 5.018 -5.149 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.222 5.904 -6.141 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.085 4.226 -5.524 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.733 5.741 -7.125 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.553 4.688 -6.737 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.707 3.153 -4.860 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.661 4.137 -7.392 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.813 2.614 -5.527 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.296 3.068 -6.749 1.00 0.00 C ATOM 0 H TRP A 27 -1.734 5.459 -2.433 1.00 0.00 H new ATOM 0 HA TRP A 27 1.130 5.573 -1.914 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.912 5.219 -4.080 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.979 3.804 -3.635 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.001 6.652 -6.168 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.820 6.292 -7.979 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.358 2.775 -3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.007 4.516 -8.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.327 1.787 -5.060 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.157 2.598 -7.200 1.00 0.00 H new ATOM 414 N TRP A 28 1.006 7.929 -2.707 1.00 0.00 N ATOM 415 CA TRP A 28 0.844 9.354 -2.943 1.00 0.00 C ATOM 416 C TRP A 28 2.236 9.985 -3.002 1.00 0.00 C ATOM 417 O TRP A 28 3.232 9.330 -2.696 1.00 0.00 O ATOM 418 CB TRP A 28 -0.055 9.987 -1.879 1.00 0.00 C ATOM 419 CG TRP A 28 0.544 9.973 -0.471 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.212 10.955 0.151 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.500 8.881 0.471 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.601 10.576 1.419 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.155 9.275 1.621 1.00 0.00 C ATOM 424 CE3 TRP A 28 -0.073 7.603 0.357 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.298 8.450 2.743 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.079 6.790 1.487 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.735 7.172 2.651 1.00 0.00 C ATOM 0 H TRP A 28 1.917 7.659 -2.335 1.00 0.00 H new ATOM 0 HA TRP A 28 0.341 9.533 -3.893 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.266 11.018 -2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.009 9.459 -1.863 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.419 11.921 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.121 11.146 2.086 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.590 7.274 -0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.815 8.782 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.343 5.797 1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.810 6.485 3.481 1.00 0.00 H new ATOM 438 N SER A 29 2.262 11.249 -3.397 1.00 0.00 N ATOM 439 CA SER A 29 3.516 11.976 -3.500 1.00 0.00 C ATOM 440 C SER A 29 3.671 12.922 -2.308 1.00 0.00 C ATOM 441 O SER A 29 2.680 13.363 -1.727 1.00 0.00 O ATOM 442 CB SER A 29 3.593 12.758 -4.813 1.00 0.00 C ATOM 443 OG SER A 29 2.868 13.983 -4.748 1.00 0.00 O ATOM 0 H SER A 29 1.434 11.789 -3.650 1.00 0.00 H new ATOM 0 HA SER A 29 4.332 11.254 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.636 12.966 -5.050 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.198 12.145 -5.623 1.00 0.00 H new ATOM 0 HG SER A 29 2.943 14.453 -5.604 1.00 0.00 H new ATOM 449 N ASP A 30 4.923 13.208 -1.979 1.00 0.00 N ATOM 450 CA ASP A 30 5.221 14.094 -0.867 1.00 0.00 C ATOM 451 C ASP A 30 6.492 14.886 -1.179 1.00 0.00 C ATOM 452 O ASP A 30 7.221 14.555 -2.113 1.00 0.00 O ATOM 453 CB ASP A 30 5.460 13.302 0.420 1.00 0.00 C ATOM 454 CG ASP A 30 4.305 12.392 0.843 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.906 11.555 0.005 1.00 0.00 O ATOM 456 OD2 ASP A 30 3.847 12.555 1.995 1.00 0.00 O ATOM 0 H ASP A 30 5.742 12.841 -2.464 1.00 0.00 H new ATOM 0 HA ASP A 30 4.369 14.759 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.355 12.693 0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.664 14.004 1.228 1.00 0.00 H new ATOM 461 N HIS A 31 6.720 15.917 -0.378 1.00 0.00 N ATOM 462 CA HIS A 31 7.891 16.759 -0.556 1.00 0.00 C ATOM 463 C HIS A 31 9.153 15.956 -0.236 1.00 0.00 C ATOM 464 O HIS A 31 10.265 16.402 -0.516 1.00 0.00 O ATOM 465 CB HIS A 31 7.774 18.036 0.277 1.00 0.00 C ATOM 466 CG HIS A 31 6.691 18.979 -0.192 1.00 0.00 C ATOM 467 ND1 HIS A 31 6.004 19.819 0.667 1.00 0.00 N ATOM 468 CD2 HIS A 31 6.185 19.205 -1.439 1.00 0.00 C ATOM 469 CE1 HIS A 31 5.127 20.514 -0.042 1.00 0.00 C ATOM 470 NE2 HIS A 31 5.240 20.132 -1.346 1.00 0.00 N ATOM 0 H HIS A 31 6.113 16.188 0.396 1.00 0.00 H new ATOM 0 HA HIS A 31 7.959 17.078 -1.596 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.580 17.764 1.315 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.730 18.559 0.258 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.500 18.713 -2.347 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.442 21.254 0.345 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.689 20.498 -2.122 1.00 0.00 H new ATOM 479 N ARG A 32 8.940 14.785 0.347 1.00 0.00 N ATOM 480 CA ARG A 32 10.047 13.916 0.708 1.00 0.00 C ATOM 481 C ARG A 32 10.178 12.776 -0.304 1.00 0.00 C ATOM 482 O ARG A 32 11.271 12.253 -0.517 1.00 0.00 O ATOM 483 CB ARG A 32 9.851 13.327 2.106 1.00 0.00 C ATOM 484 CG ARG A 32 9.496 14.420 3.117 1.00 0.00 C ATOM 485 CD ARG A 32 10.719 15.278 3.448 1.00 0.00 C ATOM 486 NE ARG A 32 10.588 15.842 4.810 1.00 0.00 N ATOM 487 CZ ARG A 32 9.741 16.828 5.137 1.00 0.00 C ATOM 488 NH1 ARG A 32 8.945 17.365 4.202 1.00 0.00 N ATOM 489 NH2 ARG A 32 9.690 17.277 6.398 1.00 0.00 N ATOM 0 H ARG A 32 8.017 14.418 0.578 1.00 0.00 H new ATOM 0 HA ARG A 32 10.956 14.517 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.059 12.578 2.081 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.762 12.817 2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.703 15.050 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.109 13.965 4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.625 14.676 3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.816 16.083 2.720 1.00 0.00 H new ATOM 0 HE ARG A 32 11.179 15.456 5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.984 17.023 3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.300 18.115 4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.296 16.869 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.045 18.027 6.646 1.00 0.00 H new ATOM 503 N GLY A 33 9.049 12.424 -0.901 1.00 0.00 N ATOM 504 CA GLY A 33 9.025 11.355 -1.885 1.00 0.00 C ATOM 505 C GLY A 33 7.629 10.735 -1.987 1.00 0.00 C ATOM 506 O GLY A 33 6.687 11.212 -1.357 1.00 0.00 O ATOM 0 H GLY A 33 8.144 12.860 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.326 11.744 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.749 10.587 -1.611 1.00 0.00 H new ATOM 510 N THR A 34 7.542 9.681 -2.785 1.00 0.00 N ATOM 511 CA THR A 34 6.278 8.991 -2.978 1.00 0.00 C ATOM 512 C THR A 34 6.058 7.961 -1.868 1.00 0.00 C ATOM 513 O THR A 34 6.781 6.970 -1.784 1.00 0.00 O ATOM 514 CB THR A 34 6.281 8.381 -4.381 1.00 0.00 C ATOM 515 OG1 THR A 34 6.085 9.497 -5.245 1.00 0.00 O ATOM 516 CG2 THR A 34 5.061 7.493 -4.636 1.00 0.00 C ATOM 0 H THR A 34 8.326 9.288 -3.305 1.00 0.00 H new ATOM 0 HA THR A 34 5.437 9.681 -2.910 1.00 0.00 H new ATOM 0 HB THR A 34 7.191 7.797 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.076 9.192 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.112 7.085 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.049 6.676 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.152 8.085 -4.529 1.00 0.00 H new ATOM 524 N ILE A 35 5.057 8.232 -1.043 1.00 0.00 N ATOM 525 CA ILE A 35 4.733 7.342 0.058 1.00 0.00 C ATOM 526 C ILE A 35 3.745 6.278 -0.425 1.00 0.00 C ATOM 527 O ILE A 35 2.743 6.600 -1.062 1.00 0.00 O ATOM 528 CB ILE A 35 4.235 8.140 1.265 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.257 9.200 1.680 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.869 7.211 2.424 1.00 0.00 C ATOM 531 CD1 ILE A 35 4.903 9.798 3.043 1.00 0.00 C ATOM 0 H ILE A 35 4.460 9.056 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 35 5.626 6.818 0.398 1.00 0.00 H new ATOM 0 HB ILE A 35 3.325 8.666 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.251 8.755 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.292 9.990 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.518 7.804 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.081 6.528 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.747 6.638 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.645 10.549 3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.918 10.263 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.893 9.009 3.795 1.00 0.00 H new ATOM 543 N ILE A 36 4.062 5.032 -0.104 1.00 0.00 N ATOM 544 CA ILE A 36 3.215 3.919 -0.498 1.00 0.00 C ATOM 545 C ILE A 36 2.908 3.059 0.729 1.00 0.00 C ATOM 546 O ILE A 36 3.820 2.546 1.376 1.00 0.00 O ATOM 547 CB ILE A 36 3.853 3.142 -1.651 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.475 4.092 -2.676 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.845 2.186 -2.292 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.158 3.314 -3.802 1.00 0.00 C ATOM 0 H ILE A 36 4.894 4.769 0.424 1.00 0.00 H new ATOM 0 HA ILE A 36 2.261 4.282 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 36 4.661 2.533 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.703 4.739 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.201 4.739 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.324 1.646 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.492 1.475 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.000 2.755 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.592 4.014 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.946 2.686 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.424 2.687 -4.308 1.00 0.00 H new ATOM 562 N GLU A 37 1.620 2.927 1.013 1.00 0.00 N ATOM 563 CA GLU A 37 1.182 2.137 2.151 1.00 0.00 C ATOM 564 C GLU A 37 0.130 1.116 1.714 1.00 0.00 C ATOM 565 O GLU A 37 -0.964 1.487 1.292 1.00 0.00 O ATOM 566 CB GLU A 37 0.644 3.035 3.267 1.00 0.00 C ATOM 567 CG GLU A 37 1.788 3.695 4.039 1.00 0.00 C ATOM 568 CD GLU A 37 1.250 4.588 5.159 1.00 0.00 C ATOM 569 OE1 GLU A 37 0.017 4.568 5.358 1.00 0.00 O ATOM 570 OE2 GLU A 37 2.086 5.270 5.791 1.00 0.00 O ATOM 0 H GLU A 37 0.866 3.354 0.475 1.00 0.00 H new ATOM 0 HA GLU A 37 2.042 1.597 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.003 3.802 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.032 2.446 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.437 2.928 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.397 4.288 3.357 1.00 0.00 H new ATOM 577 N ARG A 38 0.498 -0.152 1.830 1.00 0.00 N ATOM 578 CA ARG A 38 -0.401 -1.230 1.453 1.00 0.00 C ATOM 579 C ARG A 38 -0.649 -2.156 2.645 1.00 0.00 C ATOM 580 O ARG A 38 0.124 -2.163 3.602 1.00 0.00 O ATOM 581 CB ARG A 38 0.175 -2.046 0.293 1.00 0.00 C ATOM 582 CG ARG A 38 0.862 -1.137 -0.728 1.00 0.00 C ATOM 583 CD ARG A 38 1.642 -1.960 -1.756 1.00 0.00 C ATOM 584 NE ARG A 38 2.815 -1.195 -2.233 1.00 0.00 N ATOM 585 CZ ARG A 38 3.370 -1.345 -3.443 1.00 0.00 C ATOM 586 NH1 ARG A 38 2.860 -2.234 -4.307 1.00 0.00 N ATOM 587 NH2 ARG A 38 4.433 -0.607 -3.790 1.00 0.00 N ATOM 0 H ARG A 38 1.406 -0.457 2.180 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.342 -0.782 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.890 -2.775 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.623 -2.607 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.116 -0.526 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.538 -0.453 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.967 -2.900 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.996 -2.213 -2.597 1.00 0.00 H new ATOM 0 HE ARG A 38 3.227 -0.510 -1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.050 -2.795 -4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.282 -2.349 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.820 0.070 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.855 -0.722 -4.712 1.00 0.00 H new ATOM 601 N GLY A 39 -1.731 -2.915 2.549 1.00 0.00 N ATOM 602 CA GLY A 39 -2.091 -3.843 3.607 1.00 0.00 C ATOM 603 C GLY A 39 -3.316 -4.671 3.217 1.00 0.00 C ATOM 604 O GLY A 39 -3.794 -4.585 2.087 1.00 0.00 O ATOM 0 H GLY A 39 -2.370 -2.906 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.251 -4.506 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.297 -3.292 4.524 1.00 0.00 H new ATOM 608 N CYS A 40 -3.790 -5.455 4.174 1.00 0.00 N ATOM 609 CA CYS A 40 -4.951 -6.298 3.945 1.00 0.00 C ATOM 610 C CYS A 40 -6.209 -5.457 4.174 1.00 0.00 C ATOM 611 O CYS A 40 -6.191 -4.509 4.957 1.00 0.00 O ATOM 612 CB CYS A 40 -4.929 -7.545 4.831 1.00 0.00 C ATOM 613 SG CYS A 40 -3.870 -8.905 4.217 1.00 0.00 S ATOM 0 H CYS A 40 -3.391 -5.524 5.110 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.941 -6.663 2.918 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.589 -7.260 5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.948 -7.916 4.936 1.00 0.00 H new ATOM 618 N GLY A 41 -7.270 -5.835 3.477 1.00 0.00 N ATOM 619 CA GLY A 41 -8.534 -5.128 3.594 1.00 0.00 C ATOM 620 C GLY A 41 -8.684 -4.085 2.485 1.00 0.00 C ATOM 621 O GLY A 41 -7.937 -4.101 1.508 1.00 0.00 O ATOM 0 H GLY A 41 -7.280 -6.622 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.358 -5.839 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.593 -4.640 4.567 1.00 0.00 H new ATOM 625 N CYS A 42 -9.654 -3.203 2.673 1.00 0.00 N ATOM 626 CA CYS A 42 -9.911 -2.154 1.700 1.00 0.00 C ATOM 627 C CYS A 42 -10.376 -0.906 2.452 1.00 0.00 C ATOM 628 O CYS A 42 -11.558 -0.564 2.425 1.00 0.00 O ATOM 629 CB CYS A 42 -10.928 -2.598 0.646 1.00 0.00 C ATOM 630 SG CYS A 42 -11.432 -1.291 -0.531 1.00 0.00 S ATOM 0 H CYS A 42 -10.272 -3.193 3.485 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.995 -1.928 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.507 -3.431 0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.817 -2.973 1.154 1.00 0.00 H new ATOM 635 N PRO A 43 -9.423 -0.258 3.105 1.00 0.00 N ATOM 636 CA PRO A 43 -9.643 0.959 3.889 1.00 0.00 C ATOM 637 C PRO A 43 -9.965 2.144 2.975 1.00 0.00 C ATOM 638 O PRO A 43 -10.019 1.994 1.756 1.00 0.00 O ATOM 639 CB PRO A 43 -8.305 1.169 4.601 1.00 0.00 C ATOM 640 CG PRO A 43 -7.308 0.527 3.681 1.00 0.00 C ATOM 641 CD PRO A 43 -8.019 -0.676 3.128 1.00 0.00 C ATOM 0 HA PRO A 43 -10.484 0.876 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.091 2.228 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.298 0.703 5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.006 1.209 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.403 0.241 4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.660 -0.933 2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.871 -1.554 3.756 1.00 0.00 H new ATOM 649 N LYS A 44 -10.170 3.294 3.600 1.00 0.00 N ATOM 650 CA LYS A 44 -10.484 4.503 2.857 1.00 0.00 C ATOM 651 C LYS A 44 -9.350 5.514 3.032 1.00 0.00 C ATOM 652 O LYS A 44 -8.797 5.650 4.123 1.00 0.00 O ATOM 653 CB LYS A 44 -11.857 5.041 3.267 1.00 0.00 C ATOM 654 CG LYS A 44 -12.977 4.134 2.754 1.00 0.00 C ATOM 655 CD LYS A 44 -14.311 4.483 3.417 1.00 0.00 C ATOM 656 CE LYS A 44 -15.232 3.263 3.470 1.00 0.00 C ATOM 657 NZ LYS A 44 -15.994 3.133 2.208 1.00 0.00 N ATOM 0 H LYS A 44 -10.125 3.414 4.612 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.556 4.287 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.913 5.115 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.990 6.048 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.066 4.236 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.728 3.092 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.134 4.853 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.797 5.286 2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.642 2.362 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.921 3.356 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.614 2.300 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.571 3.986 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.333 3.022 1.413 1.00 0.00 H new ATOM 671 N VAL A 45 -9.036 6.198 1.942 1.00 0.00 N ATOM 672 CA VAL A 45 -7.977 7.193 1.961 1.00 0.00 C ATOM 673 C VAL A 45 -8.581 8.580 1.733 1.00 0.00 C ATOM 674 O VAL A 45 -9.717 8.698 1.275 1.00 0.00 O ATOM 675 CB VAL A 45 -6.902 6.833 0.933 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.365 5.421 1.172 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.436 6.982 -0.493 1.00 0.00 C ATOM 0 H VAL A 45 -9.497 6.083 1.039 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.486 7.209 2.934 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.074 7.531 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.603 5.191 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.928 5.362 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.181 4.703 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.652 6.720 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.290 6.319 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.747 8.013 -0.659 1.00 0.00 H new ATOM 687 N LYS A 46 -7.796 9.594 2.064 1.00 0.00 N ATOM 688 CA LYS A 46 -8.240 10.968 1.901 1.00 0.00 C ATOM 689 C LYS A 46 -7.953 11.426 0.470 1.00 0.00 C ATOM 690 O LYS A 46 -7.265 10.736 -0.280 1.00 0.00 O ATOM 691 CB LYS A 46 -7.611 11.864 2.971 1.00 0.00 C ATOM 692 CG LYS A 46 -7.542 11.143 4.318 1.00 0.00 C ATOM 693 CD LYS A 46 -7.578 12.141 5.477 1.00 0.00 C ATOM 694 CE LYS A 46 -6.865 13.442 5.102 1.00 0.00 C ATOM 695 NZ LYS A 46 -6.386 14.139 6.317 1.00 0.00 N ATOM 0 H LYS A 46 -6.855 9.492 2.444 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.317 11.040 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.609 12.159 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.195 12.779 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.377 10.448 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.628 10.551 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.613 12.354 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.104 11.702 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.023 13.226 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.545 14.090 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.905 15.020 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.195 14.362 6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.721 13.525 6.830 1.00 0.00 H new ATOM 709 N PRO A 47 -8.497 12.587 0.134 1.00 0.00 N ATOM 710 CA PRO A 47 -8.355 13.216 -1.180 1.00 0.00 C ATOM 711 C PRO A 47 -6.874 13.455 -1.486 1.00 0.00 C ATOM 712 O PRO A 47 -6.135 13.949 -0.636 1.00 0.00 O ATOM 713 CB PRO A 47 -9.076 14.556 -1.020 1.00 0.00 C ATOM 714 CG PRO A 47 -10.053 14.306 0.091 1.00 0.00 C ATOM 715 CD PRO A 47 -9.315 13.401 1.036 1.00 0.00 C ATOM 0 HA PRO A 47 -8.758 12.608 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.381 15.357 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.582 14.850 -1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.348 15.235 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.965 13.837 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.702 13.964 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.997 12.789 1.626 1.00 0.00 H new ATOM 723 N GLY A 48 -6.486 13.093 -2.699 1.00 0.00 N ATOM 724 CA GLY A 48 -5.108 13.261 -3.126 1.00 0.00 C ATOM 725 C GLY A 48 -4.353 11.931 -3.081 1.00 0.00 C ATOM 726 O GLY A 48 -3.493 11.673 -3.922 1.00 0.00 O ATOM 0 H GLY A 48 -7.103 12.683 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.084 13.663 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.611 13.987 -2.483 1.00 0.00 H new ATOM 730 N VAL A 49 -4.702 11.122 -2.091 1.00 0.00 N ATOM 731 CA VAL A 49 -4.069 9.825 -1.926 1.00 0.00 C ATOM 732 C VAL A 49 -4.720 8.819 -2.877 1.00 0.00 C ATOM 733 O VAL A 49 -5.918 8.898 -3.144 1.00 0.00 O ATOM 734 CB VAL A 49 -4.137 9.393 -0.460 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.084 8.325 -0.154 1.00 0.00 C ATOM 736 CG2 VAL A 49 -3.987 10.595 0.474 1.00 0.00 C ATOM 0 H VAL A 49 -5.415 11.340 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.012 9.880 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.120 8.955 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.154 8.035 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.257 7.452 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.090 8.726 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.039 10.260 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.025 11.076 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.790 11.307 0.282 1.00 0.00 H new ATOM 746 N ASN A 50 -3.902 7.897 -3.363 1.00 0.00 N ATOM 747 CA ASN A 50 -4.383 6.877 -4.278 1.00 0.00 C ATOM 748 C ASN A 50 -4.649 5.585 -3.502 1.00 0.00 C ATOM 749 O ASN A 50 -3.920 5.258 -2.567 1.00 0.00 O ATOM 750 CB ASN A 50 -3.345 6.574 -5.360 1.00 0.00 C ATOM 751 CG ASN A 50 -3.336 7.665 -6.433 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.162 7.697 -7.330 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.358 8.555 -6.290 1.00 0.00 N ATOM 0 H ASN A 50 -2.909 7.835 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.295 7.248 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.356 6.495 -4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.564 5.610 -5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.266 9.323 -6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.700 8.469 -5.516 1.00 0.00 H new ATOM 760 N LEU A 51 -5.694 4.886 -3.919 1.00 0.00 N ATOM 761 CA LEU A 51 -6.064 3.637 -3.275 1.00 0.00 C ATOM 762 C LEU A 51 -6.600 2.664 -4.328 1.00 0.00 C ATOM 763 O LEU A 51 -7.345 3.061 -5.223 1.00 0.00 O ATOM 764 CB LEU A 51 -7.039 3.896 -2.125 1.00 0.00 C ATOM 765 CG LEU A 51 -7.661 2.656 -1.481 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.582 1.652 -1.068 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.564 3.042 -0.307 1.00 0.00 C ATOM 0 H LEU A 51 -6.296 5.161 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.190 3.168 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.516 4.459 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.844 4.532 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.290 2.165 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.052 0.780 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.017 1.343 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.908 2.118 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.994 2.142 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.977 3.569 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.365 3.690 -0.662 1.00 0.00 H new ATOM 779 N ASN A 52 -6.200 1.409 -4.186 1.00 0.00 N ATOM 780 CA ASN A 52 -6.630 0.377 -5.113 1.00 0.00 C ATOM 781 C ASN A 52 -6.969 -0.895 -4.332 1.00 0.00 C ATOM 782 O ASN A 52 -6.117 -1.445 -3.636 1.00 0.00 O ATOM 783 CB ASN A 52 -5.522 0.038 -6.112 1.00 0.00 C ATOM 784 CG ASN A 52 -5.940 -1.120 -7.022 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.331 -2.176 -7.045 1.00 0.00 O ATOM 786 ND2 ASN A 52 -7.011 -0.862 -7.768 1.00 0.00 N ATOM 0 H ASN A 52 -5.582 1.084 -3.442 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.500 0.750 -5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.291 0.915 -6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.611 -0.227 -5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.369 -1.571 -8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.474 0.044 -7.700 1.00 0.00 H new ATOM 793 N CYS A 53 -8.214 -1.324 -4.475 1.00 0.00 N ATOM 794 CA CYS A 53 -8.676 -2.521 -3.792 1.00 0.00 C ATOM 795 C CYS A 53 -8.932 -3.604 -4.841 1.00 0.00 C ATOM 796 O CYS A 53 -9.361 -3.305 -5.955 1.00 0.00 O ATOM 797 CB CYS A 53 -9.917 -2.244 -2.942 1.00 0.00 C ATOM 798 SG CYS A 53 -9.704 -0.942 -1.673 1.00 0.00 S ATOM 0 H CYS A 53 -8.917 -0.865 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.910 -2.865 -3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.736 -1.958 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.215 -3.168 -2.447 1.00 0.00 H new ATOM 803 N CYS A 54 -8.659 -4.840 -4.449 1.00 0.00 N ATOM 804 CA CYS A 54 -8.855 -5.969 -5.341 1.00 0.00 C ATOM 805 C CYS A 54 -9.125 -7.212 -4.492 1.00 0.00 C ATOM 806 O CYS A 54 -8.851 -7.221 -3.293 1.00 0.00 O ATOM 807 CB CYS A 54 -7.660 -6.165 -6.276 1.00 0.00 C ATOM 808 SG CYS A 54 -6.028 -5.841 -5.514 1.00 0.00 S ATOM 0 H CYS A 54 -8.303 -5.084 -3.525 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.712 -5.780 -5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.674 -7.189 -6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.780 -5.509 -7.138 1.00 0.00 H new ATOM 813 N ARG A 55 -9.661 -8.233 -5.146 1.00 0.00 N ATOM 814 CA ARG A 55 -9.971 -9.478 -4.465 1.00 0.00 C ATOM 815 C ARG A 55 -9.055 -10.598 -4.963 1.00 0.00 C ATOM 816 O ARG A 55 -9.517 -11.699 -5.256 1.00 0.00 O ATOM 817 CB ARG A 55 -11.429 -9.882 -4.693 1.00 0.00 C ATOM 818 CG ARG A 55 -12.384 -8.836 -4.116 1.00 0.00 C ATOM 819 CD ARG A 55 -13.681 -8.771 -4.926 1.00 0.00 C ATOM 820 NE ARG A 55 -13.456 -8.019 -6.181 1.00 0.00 N ATOM 821 CZ ARG A 55 -13.508 -6.684 -6.276 1.00 0.00 C ATOM 822 NH1 ARG A 55 -13.777 -5.945 -5.191 1.00 0.00 N ATOM 823 NH2 ARG A 55 -13.291 -6.087 -7.456 1.00 0.00 N ATOM 0 H ARG A 55 -9.888 -8.223 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.812 -9.321 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.615 -10.000 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.619 -10.849 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.611 -9.079 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.902 -7.859 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.028 -9.779 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.463 -8.289 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.248 -8.551 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.942 -6.399 -4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.817 -4.928 -5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.086 -6.649 -8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.331 -5.070 -7.528 1.00 0.00 H new ATOM 837 N THR A 56 -7.772 -10.277 -5.044 1.00 0.00 N ATOM 838 CA THR A 56 -6.786 -11.242 -5.502 1.00 0.00 C ATOM 839 C THR A 56 -5.570 -11.244 -4.573 1.00 0.00 C ATOM 840 O THR A 56 -5.176 -10.199 -4.059 1.00 0.00 O ATOM 841 CB THR A 56 -6.441 -10.912 -6.955 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.513 -9.490 -7.015 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.519 -11.381 -7.935 1.00 0.00 C ATOM 0 H THR A 56 -7.392 -9.362 -4.800 1.00 0.00 H new ATOM 0 HA THR A 56 -7.181 -12.257 -5.470 1.00 0.00 H new ATOM 0 HB THR A 56 -5.489 -11.374 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.301 -9.190 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.224 -11.122 -8.952 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.637 -12.462 -7.856 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.464 -10.894 -7.696 1.00 0.00 H new ATOM 851 N ASP A 57 -5.010 -12.430 -4.387 1.00 0.00 N ATOM 852 CA ASP A 57 -3.847 -12.582 -3.529 1.00 0.00 C ATOM 853 C ASP A 57 -2.691 -11.755 -4.094 1.00 0.00 C ATOM 854 O ASP A 57 -2.492 -11.707 -5.307 1.00 0.00 O ATOM 855 CB ASP A 57 -3.397 -14.043 -3.466 1.00 0.00 C ATOM 856 CG ASP A 57 -4.439 -15.018 -2.914 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.556 -15.079 -1.671 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.095 -15.680 -3.747 1.00 0.00 O ATOM 0 H ASP A 57 -5.340 -13.295 -4.816 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.119 -12.245 -2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.116 -14.364 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.501 -14.105 -2.849 1.00 0.00 H new ATOM 863 N ARG A 58 -1.958 -11.125 -3.188 1.00 0.00 N ATOM 864 CA ARG A 58 -0.827 -10.302 -3.581 1.00 0.00 C ATOM 865 C ARG A 58 -1.175 -9.480 -4.823 1.00 0.00 C ATOM 866 O ARG A 58 -0.337 -9.297 -5.706 1.00 0.00 O ATOM 867 CB ARG A 58 0.404 -11.162 -3.875 1.00 0.00 C ATOM 868 CG ARG A 58 0.522 -12.312 -2.873 1.00 0.00 C ATOM 869 CD ARG A 58 1.950 -12.860 -2.832 1.00 0.00 C ATOM 870 NE ARG A 58 2.019 -14.026 -1.923 1.00 0.00 N ATOM 871 CZ ARG A 58 1.631 -15.264 -2.258 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.144 -15.505 -3.483 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.730 -16.261 -1.368 1.00 0.00 N ATOM 0 H ARG A 58 -2.125 -11.168 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.599 -9.633 -2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.339 -11.562 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.302 -10.545 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.233 -11.965 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.169 -13.109 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.266 -13.151 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.637 -12.084 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 58 2.385 -13.878 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.069 -14.746 -4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.849 -16.447 -3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.101 -16.077 -0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.435 -17.203 -1.623 1.00 0.00 H new ATOM 887 N CYS A 59 -2.411 -9.005 -4.853 1.00 0.00 N ATOM 888 CA CYS A 59 -2.880 -8.206 -5.972 1.00 0.00 C ATOM 889 C CYS A 59 -2.507 -6.746 -5.710 1.00 0.00 C ATOM 890 O CYS A 59 -2.388 -5.954 -6.644 1.00 0.00 O ATOM 891 CB CYS A 59 -4.383 -8.380 -6.201 1.00 0.00 C ATOM 892 SG CYS A 59 -5.446 -7.637 -4.910 1.00 0.00 S ATOM 0 H CYS A 59 -3.103 -9.158 -4.119 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.398 -8.543 -6.890 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.643 -7.940 -7.164 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.606 -9.445 -6.267 1.00 0.00 H new ATOM 897 N ASN A 60 -2.334 -6.432 -4.434 1.00 0.00 N ATOM 898 CA ASN A 60 -1.978 -5.081 -4.037 1.00 0.00 C ATOM 899 C ASN A 60 -0.457 -4.978 -3.901 1.00 0.00 C ATOM 900 O ASN A 60 0.046 -4.383 -2.950 1.00 0.00 O ATOM 901 CB ASN A 60 -2.598 -4.722 -2.685 1.00 0.00 C ATOM 902 CG ASN A 60 -2.042 -5.613 -1.573 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.783 -6.791 -1.757 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.875 -4.987 -0.411 1.00 0.00 N ATOM 0 H ASN A 60 -2.434 -7.091 -3.662 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.352 -4.397 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.395 -3.676 -2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.681 -4.832 -2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.510 -5.495 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.112 -3.999 -0.326 1.00 0.00 H new ATOM 911 N ASN A 61 0.232 -5.569 -4.866 1.00 0.00 N ATOM 912 CA ASN A 61 1.685 -5.551 -4.867 1.00 0.00 C ATOM 913 C ASN A 61 2.177 -4.398 -5.743 1.00 0.00 C ATOM 914 O ASN A 61 1.305 -3.703 -6.309 1.00 0.00 O ATOM 915 CB ASN A 61 2.251 -6.853 -5.436 1.00 0.00 C ATOM 916 CG ASN A 61 2.442 -6.752 -6.951 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.609 -6.230 -7.674 1.00 0.00 O ATOM 918 ND2 ASN A 61 3.582 -7.279 -7.389 1.00 0.00 N ATOM 919 OXT ASN A 61 3.413 -4.237 -5.829 1.00 0.00 O ATOM 0 H ASN A 61 -0.189 -6.063 -5.653 1.00 0.00 H new ATOM 0 HA ASN A 61 2.021 -5.431 -3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.205 -7.078 -4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.577 -7.678 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.803 -7.261 -8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.236 -7.701 -6.729 1.00 0.00 H new