USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=14 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= -4.05! C(o=-4!,f=-8.2!) USER MOD Set 2.1: A 7 GLN : amide:sc= -4.29! C(o=-3.3!,f=-14!) USER MOD Set 2.2: A 8 SER OG : rot 1:sc= 1.01 USER MOD Set 3.1: A 5 ASN : amide:sc= -1.6! C(o=-0.6!,f=-13!) USER MOD Set 3.2: A 13 THR OG1 : rot 101:sc= 0.999 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -5.98! C(o=-11!,f=-10!) USER MOD Set 4.2: A 6 GLN : amide:sc= -3.84! C(o=-11!,f=-8.4!) USER MOD Set 4.3: A 61 ASN : amide:sc= -1.09 K(o=-11,f=-14!) USER MOD Single : A 1 LEU N :NH3+ 143:sc= 0.0225 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -160: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= 0.00256 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 150:sc= -0.403 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= -0.351 (180deg=-2.85!) USER MOD Single : A 29 SER OG : rot 180:sc=-0.00722 USER MOD Single : A 31 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.1) 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= -0.892 X(o=-0.89,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.75! USER MOD Single : A 60 ASN : amide:sc= -4.01! C(o=-4!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.110 -15.251 2.056 1.00 0.00 N ATOM 2 CA LEU A 1 -5.744 -14.226 1.094 1.00 0.00 C ATOM 3 C LEU A 1 -4.601 -13.383 1.664 1.00 0.00 C ATOM 4 O LEU A 1 -4.629 -13.001 2.832 1.00 0.00 O ATOM 5 CB LEU A 1 -6.971 -13.405 0.692 1.00 0.00 C ATOM 6 CG LEU A 1 -6.700 -12.173 -0.174 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.502 -12.566 -1.639 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.806 -11.130 -0.004 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.140 -15.392 2.038 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.634 -16.143 1.811 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.818 -14.953 3.009 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.378 -14.681 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.660 -14.057 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.480 -13.081 1.600 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.771 -11.715 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.311 -11.672 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.653 -13.245 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.400 -13.061 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.589 -10.265 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.762 -11.562 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.856 -10.819 1.040 1.00 0.00 H new ATOM 22 N GLU A 2 -3.621 -13.119 0.811 1.00 0.00 N ATOM 23 CA GLU A 2 -2.471 -12.329 1.215 1.00 0.00 C ATOM 24 C GLU A 2 -2.476 -10.978 0.497 1.00 0.00 C ATOM 25 O GLU A 2 -2.910 -10.883 -0.650 1.00 0.00 O ATOM 26 CB GLU A 2 -1.167 -13.085 0.951 1.00 0.00 C ATOM 27 CG GLU A 2 -1.252 -14.523 1.468 1.00 0.00 C ATOM 28 CD GLU A 2 -2.070 -15.400 0.518 1.00 0.00 C ATOM 29 OE1 GLU A 2 -1.966 -15.161 -0.705 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.780 -16.288 1.036 1.00 0.00 O ATOM 0 H GLU A 2 -3.600 -13.438 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.538 -12.148 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.956 -13.091 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.339 -12.569 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.248 -14.935 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.707 -14.531 2.458 1.00 0.00 H new ATOM 37 N CYS A 3 -1.988 -9.968 1.202 1.00 0.00 N ATOM 38 CA CYS A 3 -1.932 -8.626 0.646 1.00 0.00 C ATOM 39 C CYS A 3 -0.574 -8.017 1.000 1.00 0.00 C ATOM 40 O CYS A 3 -0.101 -8.158 2.127 1.00 0.00 O ATOM 41 CB CYS A 3 -3.093 -7.760 1.139 1.00 0.00 C ATOM 42 SG CYS A 3 -4.732 -8.572 1.087 1.00 0.00 S ATOM 0 H CYS A 3 -1.628 -10.052 2.153 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.037 -8.673 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.888 -7.452 2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.133 -6.853 0.536 1.00 0.00 H new ATOM 47 N HIS A 4 0.015 -7.352 0.017 1.00 0.00 N ATOM 48 CA HIS A 4 1.309 -6.720 0.211 1.00 0.00 C ATOM 49 C HIS A 4 1.208 -5.673 1.322 1.00 0.00 C ATOM 50 O HIS A 4 0.172 -5.030 1.481 1.00 0.00 O ATOM 51 CB HIS A 4 1.833 -6.140 -1.104 1.00 0.00 C ATOM 52 CG HIS A 4 2.555 -7.142 -1.973 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.917 -7.371 -1.879 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.091 -7.971 -2.951 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.246 -8.299 -2.767 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.113 -8.668 -3.430 1.00 0.00 N ATOM 0 H HIS A 4 -0.380 -7.237 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 4 2.038 -7.466 0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.996 -5.725 -1.665 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.509 -5.314 -0.881 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.558 -6.905 -1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.065 -8.047 -3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.237 -8.693 -2.936 1.00 0.00 H new ATOM 65 N ASN A 5 2.298 -5.536 2.063 1.00 0.00 N ATOM 66 CA ASN A 5 2.345 -4.578 3.155 1.00 0.00 C ATOM 67 C ASN A 5 3.625 -3.748 3.045 1.00 0.00 C ATOM 68 O ASN A 5 4.016 -3.074 3.997 1.00 0.00 O ATOM 69 CB ASN A 5 2.357 -5.288 4.510 1.00 0.00 C ATOM 70 CG ASN A 5 3.766 -5.765 4.867 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.469 -6.360 4.067 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.138 -5.470 6.110 1.00 0.00 N ATOM 0 H ASN A 5 3.155 -6.072 1.929 1.00 0.00 H new ATOM 0 HA ASN A 5 1.460 -3.945 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.992 -4.611 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.677 -6.139 4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.062 -5.745 6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.500 -4.969 6.728 1.00 0.00 H new ATOM 79 N GLN A 6 4.243 -3.825 1.875 1.00 0.00 N ATOM 80 CA GLN A 6 5.472 -3.089 1.628 1.00 0.00 C ATOM 81 C GLN A 6 5.204 -1.583 1.660 1.00 0.00 C ATOM 82 O GLN A 6 4.153 -1.126 1.211 1.00 0.00 O ATOM 83 CB GLN A 6 6.103 -3.506 0.299 1.00 0.00 C ATOM 84 CG GLN A 6 5.140 -3.263 -0.865 1.00 0.00 C ATOM 85 CD GLN A 6 5.696 -3.845 -2.167 1.00 0.00 C ATOM 86 OE1 GLN A 6 4.993 -4.464 -2.950 1.00 0.00 O ATOM 87 NE2 GLN A 6 6.992 -3.614 -2.353 1.00 0.00 N ATOM 0 H GLN A 6 3.916 -4.385 1.088 1.00 0.00 H new ATOM 0 HA GLN A 6 6.182 -3.329 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.023 -2.945 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.375 -4.561 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.174 -3.716 -0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.970 -2.193 -0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.521 -3.089 -1.657 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.457 -3.962 -3.191 1.00 0.00 H new ATOM 96 N GLN A 7 6.171 -0.853 2.194 1.00 0.00 N ATOM 97 CA GLN A 7 6.053 0.592 2.290 1.00 0.00 C ATOM 98 C GLN A 7 6.969 1.269 1.268 1.00 0.00 C ATOM 99 O GLN A 7 8.141 0.914 1.149 1.00 0.00 O ATOM 100 CB GLN A 7 6.363 1.075 3.709 1.00 0.00 C ATOM 101 CG GLN A 7 6.727 2.561 3.715 1.00 0.00 C ATOM 102 CD GLN A 7 5.536 3.420 3.284 1.00 0.00 C ATOM 103 OE1 GLN A 7 5.449 3.888 2.161 1.00 0.00 O ATOM 104 NE2 GLN A 7 4.626 3.599 4.237 1.00 0.00 N ATOM 0 H GLN A 7 7.041 -1.235 2.565 1.00 0.00 H new ATOM 0 HA GLN A 7 5.023 0.868 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.499 0.906 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.187 0.493 4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.050 2.856 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.568 2.736 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.761 3.179 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.793 4.157 4.049 1.00 0.00 H new ATOM 113 N SER A 8 6.400 2.231 0.557 1.00 0.00 N ATOM 114 CA SER A 8 7.151 2.960 -0.451 1.00 0.00 C ATOM 115 C SER A 8 7.820 1.980 -1.416 1.00 0.00 C ATOM 116 O SER A 8 7.168 1.081 -1.944 1.00 0.00 O ATOM 117 CB SER A 8 8.199 3.869 0.194 1.00 0.00 C ATOM 118 OG SER A 8 7.639 4.689 1.216 1.00 0.00 O ATOM 0 H SER A 8 5.428 2.523 0.659 1.00 0.00 H new ATOM 0 HA SER A 8 6.456 3.589 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.998 3.259 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.651 4.501 -0.571 1.00 0.00 H new ATOM 0 HG SER A 8 6.684 4.491 1.307 1.00 0.00 H new ATOM 124 N SER A 9 9.113 2.187 -1.618 1.00 0.00 N ATOM 125 CA SER A 9 9.877 1.333 -2.511 1.00 0.00 C ATOM 126 C SER A 9 10.511 0.185 -1.722 1.00 0.00 C ATOM 127 O SER A 9 11.218 -0.646 -2.288 1.00 0.00 O ATOM 128 CB SER A 9 10.957 2.130 -3.246 1.00 0.00 C ATOM 129 OG SER A 9 10.415 3.259 -3.927 1.00 0.00 O ATOM 0 H SER A 9 9.651 2.934 -1.178 1.00 0.00 H new ATOM 0 HA SER A 9 9.196 0.922 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.710 2.464 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.462 1.482 -3.963 1.00 0.00 H new ATOM 0 HG SER A 9 11.135 3.743 -4.382 1.00 0.00 H new ATOM 135 N GLN A 10 10.233 0.176 -0.426 1.00 0.00 N ATOM 136 CA GLN A 10 10.767 -0.856 0.446 1.00 0.00 C ATOM 137 C GLN A 10 10.590 -2.235 -0.193 1.00 0.00 C ATOM 138 O GLN A 10 9.886 -2.374 -1.192 1.00 0.00 O ATOM 139 CB GLN A 10 10.107 -0.803 1.826 1.00 0.00 C ATOM 140 CG GLN A 10 10.292 0.573 2.469 1.00 0.00 C ATOM 141 CD GLN A 10 11.568 0.618 3.312 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.560 0.381 4.509 1.00 0.00 O ATOM 143 NE2 GLN A 10 12.661 0.933 2.623 1.00 0.00 N ATOM 0 H GLN A 10 9.645 0.867 0.041 1.00 0.00 H new ATOM 0 HA GLN A 10 11.833 -0.674 0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.044 -1.025 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.538 -1.570 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.337 1.338 1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.430 0.805 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.597 1.120 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.563 0.988 3.095 1.00 0.00 H new ATOM 152 N PRO A 11 11.240 -3.219 0.410 1.00 0.00 N ATOM 153 CA PRO A 11 11.215 -4.616 -0.028 1.00 0.00 C ATOM 154 C PRO A 11 9.776 -5.136 -0.026 1.00 0.00 C ATOM 155 O PRO A 11 9.042 -4.935 0.940 1.00 0.00 O ATOM 156 CB PRO A 11 12.033 -5.345 1.040 1.00 0.00 C ATOM 157 CG PRO A 11 12.930 -4.278 1.595 1.00 0.00 C ATOM 158 CD PRO A 11 12.076 -3.042 1.600 1.00 0.00 C ATOM 0 HA PRO A 11 11.607 -4.755 -1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.393 -5.771 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.607 -6.167 0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.273 -4.529 2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.819 -4.145 0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.477 -2.968 2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.677 -2.135 1.540 1.00 0.00 H new ATOM 166 N PRO A 12 9.415 -5.793 -1.118 1.00 0.00 N ATOM 167 CA PRO A 12 8.089 -6.375 -1.332 1.00 0.00 C ATOM 168 C PRO A 12 7.784 -7.393 -0.231 1.00 0.00 C ATOM 169 O PRO A 12 8.532 -8.351 -0.043 1.00 0.00 O ATOM 170 CB PRO A 12 8.220 -7.090 -2.679 1.00 0.00 C ATOM 171 CG PRO A 12 9.332 -6.355 -3.368 1.00 0.00 C ATOM 172 CD PRO A 12 10.298 -6.027 -2.264 1.00 0.00 C ATOM 0 HA PRO A 12 7.290 -5.634 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.458 -8.146 -2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.293 -7.040 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.800 -6.970 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.968 -5.453 -3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.993 -6.846 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.897 -5.147 -2.499 1.00 0.00 H new ATOM 180 N THR A 13 6.685 -7.151 0.468 1.00 0.00 N ATOM 181 CA THR A 13 6.274 -8.034 1.546 1.00 0.00 C ATOM 182 C THR A 13 4.787 -8.372 1.420 1.00 0.00 C ATOM 183 O THR A 13 4.088 -7.812 0.576 1.00 0.00 O ATOM 184 CB THR A 13 6.634 -7.363 2.872 1.00 0.00 C ATOM 185 OG1 THR A 13 6.360 -5.982 2.648 1.00 0.00 O ATOM 186 CG2 THR A 13 8.136 -7.402 3.160 1.00 0.00 C ATOM 0 H THR A 13 6.066 -6.356 0.309 1.00 0.00 H new ATOM 0 HA THR A 13 6.798 -8.988 1.496 1.00 0.00 H new ATOM 0 HB THR A 13 6.096 -7.853 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.498 -5.750 3.051 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.337 -6.912 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.471 -8.438 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.672 -6.883 2.365 1.00 0.00 H new ATOM 194 N THR A 14 4.346 -9.287 2.271 1.00 0.00 N ATOM 195 CA THR A 14 2.955 -9.706 2.266 1.00 0.00 C ATOM 196 C THR A 14 2.489 -10.025 3.688 1.00 0.00 C ATOM 197 O THR A 14 3.305 -10.310 4.563 1.00 0.00 O ATOM 198 CB THR A 14 2.821 -10.888 1.304 1.00 0.00 C ATOM 199 OG1 THR A 14 4.015 -11.638 1.507 1.00 0.00 O ATOM 200 CG2 THR A 14 2.895 -10.460 -0.163 1.00 0.00 C ATOM 0 H THR A 14 4.928 -9.750 2.969 1.00 0.00 H new ATOM 0 HA THR A 14 2.302 -8.907 1.915 1.00 0.00 H new ATOM 0 HB THR A 14 1.875 -11.399 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.171 -12.221 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.795 -11.336 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.089 -9.759 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.854 -9.979 -0.354 1.00 0.00 H new ATOM 208 N LYS A 15 1.178 -9.966 3.874 1.00 0.00 N ATOM 209 CA LYS A 15 0.594 -10.245 5.174 1.00 0.00 C ATOM 210 C LYS A 15 -0.758 -10.935 4.983 1.00 0.00 C ATOM 211 O LYS A 15 -1.447 -10.696 3.993 1.00 0.00 O ATOM 212 CB LYS A 15 0.519 -8.967 6.013 1.00 0.00 C ATOM 213 CG LYS A 15 0.512 -9.292 7.508 1.00 0.00 C ATOM 214 CD LYS A 15 1.938 -9.398 8.052 1.00 0.00 C ATOM 215 CE LYS A 15 2.493 -10.812 7.864 1.00 0.00 C ATOM 216 NZ LYS A 15 3.485 -11.123 8.918 1.00 0.00 N ATOM 0 H LYS A 15 0.504 -9.729 3.146 1.00 0.00 H new ATOM 0 HA LYS A 15 1.227 -10.932 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.369 -8.325 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.382 -8.410 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.031 -8.518 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.017 -10.230 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.580 -8.681 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.948 -9.137 9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.679 -11.536 7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.957 -10.899 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.852 -12.086 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.270 -10.442 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.031 -11.060 9.852 1.00 0.00 H new ATOM 230 N THR A 16 -1.098 -11.778 5.948 1.00 0.00 N ATOM 231 CA THR A 16 -2.355 -12.504 5.898 1.00 0.00 C ATOM 232 C THR A 16 -3.516 -11.588 6.290 1.00 0.00 C ATOM 233 O THR A 16 -3.439 -10.874 7.288 1.00 0.00 O ATOM 234 CB THR A 16 -2.225 -13.737 6.796 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.910 -14.220 6.533 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.138 -14.882 6.355 1.00 0.00 C ATOM 0 H THR A 16 -0.524 -11.974 6.768 1.00 0.00 H new ATOM 0 HA THR A 16 -2.576 -12.842 4.886 1.00 0.00 H new ATOM 0 HB THR A 16 -2.459 -13.463 7.825 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.740 -15.018 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.006 -15.731 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.176 -14.552 6.387 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.883 -15.180 5.338 1.00 0.00 H new ATOM 244 N CYS A 17 -4.565 -11.638 5.482 1.00 0.00 N ATOM 245 CA CYS A 17 -5.741 -10.822 5.731 1.00 0.00 C ATOM 246 C CYS A 17 -6.670 -11.591 6.673 1.00 0.00 C ATOM 247 O CYS A 17 -7.092 -12.704 6.361 1.00 0.00 O ATOM 248 CB CYS A 17 -6.444 -10.431 4.429 1.00 0.00 C ATOM 249 SG CYS A 17 -5.322 -10.002 3.049 1.00 0.00 S ATOM 0 H CYS A 17 -4.625 -12.231 4.654 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.443 -9.885 6.202 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.083 -11.257 4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.096 -9.580 4.626 1.00 0.00 H new ATOM 254 N SER A 18 -6.960 -10.968 7.805 1.00 0.00 N ATOM 255 CA SER A 18 -7.831 -11.580 8.794 1.00 0.00 C ATOM 256 C SER A 18 -9.224 -10.950 8.727 1.00 0.00 C ATOM 257 O SER A 18 -9.383 -9.759 8.988 1.00 0.00 O ATOM 258 CB SER A 18 -7.251 -11.437 10.203 1.00 0.00 C ATOM 259 OG SER A 18 -7.881 -12.315 11.131 1.00 0.00 O ATOM 0 H SER A 18 -6.607 -10.045 8.060 1.00 0.00 H new ATOM 0 HA SER A 18 -7.909 -12.644 8.569 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.181 -11.644 10.177 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.369 -10.407 10.541 1.00 0.00 H new ATOM 0 HG SER A 18 -7.482 -12.195 12.018 1.00 0.00 H new ATOM 265 N GLY A 19 -10.196 -11.778 8.374 1.00 0.00 N ATOM 266 CA GLY A 19 -11.570 -11.317 8.269 1.00 0.00 C ATOM 267 C GLY A 19 -11.792 -10.547 6.966 1.00 0.00 C ATOM 268 O GLY A 19 -12.928 -10.249 6.603 1.00 0.00 O ATOM 0 H GLY A 19 -10.059 -12.765 8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.248 -12.170 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.809 -10.677 9.119 1.00 0.00 H new ATOM 272 N GLU A 20 -10.687 -10.246 6.298 1.00 0.00 N ATOM 273 CA GLU A 20 -10.747 -9.516 5.043 1.00 0.00 C ATOM 274 C GLU A 20 -10.526 -10.468 3.865 1.00 0.00 C ATOM 275 O GLU A 20 -9.921 -11.527 4.023 1.00 0.00 O ATOM 276 CB GLU A 20 -9.729 -8.375 5.024 1.00 0.00 C ATOM 277 CG GLU A 20 -9.658 -7.680 6.386 1.00 0.00 C ATOM 278 CD GLU A 20 -8.420 -6.787 6.482 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.308 -7.357 6.496 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.613 -5.553 6.539 1.00 0.00 O ATOM 0 H GLU A 20 -9.746 -10.494 6.602 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.739 -9.075 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.746 -8.764 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.003 -7.651 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.556 -7.081 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.634 -8.428 7.179 1.00 0.00 H new ATOM 287 N THR A 21 -11.030 -10.055 2.711 1.00 0.00 N ATOM 288 CA THR A 21 -10.895 -10.858 1.507 1.00 0.00 C ATOM 289 C THR A 21 -10.487 -9.978 0.323 1.00 0.00 C ATOM 290 O THR A 21 -10.595 -10.394 -0.829 1.00 0.00 O ATOM 291 CB THR A 21 -12.214 -11.602 1.285 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.214 -10.636 1.597 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.438 -12.715 2.311 1.00 0.00 C ATOM 0 H THR A 21 -11.532 -9.176 2.584 1.00 0.00 H new ATOM 0 HA THR A 21 -10.101 -11.598 1.611 1.00 0.00 H new ATOM 0 HB THR A 21 -12.227 -12.026 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.102 -11.034 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.387 -13.211 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.628 -13.441 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.459 -12.287 3.313 1.00 0.00 H new ATOM 301 N ASN A 22 -10.028 -8.779 0.649 1.00 0.00 N ATOM 302 CA ASN A 22 -9.603 -7.838 -0.373 1.00 0.00 C ATOM 303 C ASN A 22 -8.266 -7.216 0.037 1.00 0.00 C ATOM 304 O ASN A 22 -7.944 -7.154 1.222 1.00 0.00 O ATOM 305 CB ASN A 22 -10.620 -6.707 -0.537 1.00 0.00 C ATOM 306 CG ASN A 22 -11.988 -7.255 -0.949 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.330 -7.329 -2.118 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.749 -7.634 0.074 1.00 0.00 N ATOM 0 H ASN A 22 -9.941 -8.438 1.606 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.512 -8.380 -1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.712 -6.157 0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.266 -6.001 -1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.680 -8.014 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.401 -7.545 1.029 1.00 0.00 H new ATOM 315 N CYS A 23 -7.525 -6.770 -0.967 1.00 0.00 N ATOM 316 CA CYS A 23 -6.231 -6.155 -0.726 1.00 0.00 C ATOM 317 C CYS A 23 -6.290 -4.705 -1.211 1.00 0.00 C ATOM 318 O CYS A 23 -6.855 -4.423 -2.268 1.00 0.00 O ATOM 319 CB CYS A 23 -5.100 -6.936 -1.398 1.00 0.00 C ATOM 320 SG CYS A 23 -5.048 -8.718 -0.987 1.00 0.00 S ATOM 0 H CYS A 23 -7.796 -6.822 -1.949 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.011 -6.171 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.196 -6.829 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.149 -6.485 -1.116 1.00 0.00 H new ATOM 325 N TYR A 24 -5.701 -3.824 -0.417 1.00 0.00 N ATOM 326 CA TYR A 24 -5.679 -2.411 -0.752 1.00 0.00 C ATOM 327 C TYR A 24 -4.244 -1.912 -0.935 1.00 0.00 C ATOM 328 O TYR A 24 -3.320 -2.426 -0.307 1.00 0.00 O ATOM 329 CB TYR A 24 -6.311 -1.685 0.437 1.00 0.00 C ATOM 330 CG TYR A 24 -5.362 -1.486 1.620 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.530 -0.385 1.660 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.337 -2.407 2.648 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.637 -0.198 2.774 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.444 -2.219 3.762 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.638 -1.124 3.769 1.00 0.00 C ATOM 336 OH TYR A 24 -2.794 -0.947 4.821 1.00 0.00 O ATOM 0 H TYR A 24 -5.235 -4.062 0.459 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.214 -2.230 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.671 -0.711 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.181 -2.249 0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.549 0.336 0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.987 -3.269 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.981 0.659 2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.415 -2.931 4.573 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.188 -1.341 5.627 1.00 0.00 H new ATOM 346 N LYS A 25 -4.103 -0.915 -1.797 1.00 0.00 N ATOM 347 CA LYS A 25 -2.797 -0.341 -2.069 1.00 0.00 C ATOM 348 C LYS A 25 -2.911 1.184 -2.102 1.00 0.00 C ATOM 349 O LYS A 25 -3.627 1.739 -2.934 1.00 0.00 O ATOM 350 CB LYS A 25 -2.204 -0.941 -3.346 1.00 0.00 C ATOM 351 CG LYS A 25 -0.963 -0.164 -3.792 1.00 0.00 C ATOM 352 CD LYS A 25 -0.576 -0.526 -5.227 1.00 0.00 C ATOM 353 CE LYS A 25 -1.780 -0.414 -6.164 1.00 0.00 C ATOM 354 NZ LYS A 25 -1.335 -0.326 -7.573 1.00 0.00 N ATOM 0 H LYS A 25 -4.872 -0.491 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.098 -0.591 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.942 -1.985 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.951 -0.927 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.155 0.907 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.132 -0.383 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.220 0.135 -5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.181 -1.542 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.430 -1.279 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.368 0.467 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.165 -0.251 -8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.733 0.513 -7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.794 -1.179 -7.820 1.00 0.00 H new ATOM 368 N LYS A 26 -2.195 1.819 -1.186 1.00 0.00 N ATOM 369 CA LYS A 26 -2.207 3.269 -1.099 1.00 0.00 C ATOM 370 C LYS A 26 -0.854 3.815 -1.561 1.00 0.00 C ATOM 371 O LYS A 26 0.187 3.221 -1.282 1.00 0.00 O ATOM 372 CB LYS A 26 -2.603 3.718 0.309 1.00 0.00 C ATOM 373 CG LYS A 26 -3.555 2.711 0.958 1.00 0.00 C ATOM 374 CD LYS A 26 -3.837 3.085 2.415 1.00 0.00 C ATOM 375 CE LYS A 26 -5.218 2.591 2.850 1.00 0.00 C ATOM 376 NZ LYS A 26 -5.747 3.430 3.949 1.00 0.00 N ATOM 0 H LYS A 26 -1.602 1.355 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.963 3.684 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.710 3.828 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.080 4.697 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.491 2.677 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.120 1.712 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.072 2.652 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.780 4.167 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.903 2.617 2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.153 1.553 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.851 2.852 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.089 4.213 4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.674 3.815 3.677 1.00 0.00 H new ATOM 390 N TRP A 27 -0.913 4.939 -2.259 1.00 0.00 N ATOM 391 CA TRP A 27 0.295 5.572 -2.762 1.00 0.00 C ATOM 392 C TRP A 27 -0.017 7.047 -3.020 1.00 0.00 C ATOM 393 O TRP A 27 -1.126 7.389 -3.428 1.00 0.00 O ATOM 394 CB TRP A 27 0.818 4.845 -4.002 1.00 0.00 C ATOM 395 CG TRP A 27 -0.040 5.051 -5.252 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.129 5.951 -6.230 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.216 4.299 -5.621 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.848 5.835 -7.198 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.691 4.798 -6.816 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.856 3.232 -4.966 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.827 4.293 -7.460 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.989 2.738 -5.623 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.481 3.230 -6.826 1.00 0.00 C ATOM 0 H TRP A 27 -1.778 5.428 -2.488 1.00 0.00 H new ATOM 0 HA TRP A 27 1.098 5.510 -2.028 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.832 5.186 -4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.878 3.778 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.929 6.676 -6.257 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.935 6.405 -8.039 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.502 2.826 -4.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.180 4.702 -8.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.518 1.917 -5.163 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.364 2.794 -7.270 1.00 0.00 H new ATOM 414 N TRP A 28 0.982 7.882 -2.772 1.00 0.00 N ATOM 415 CA TRP A 28 0.828 9.313 -2.972 1.00 0.00 C ATOM 416 C TRP A 28 2.225 9.926 -3.095 1.00 0.00 C ATOM 417 O TRP A 28 3.225 9.257 -2.836 1.00 0.00 O ATOM 418 CB TRP A 28 -0.003 9.938 -1.850 1.00 0.00 C ATOM 419 CG TRP A 28 0.664 9.876 -0.474 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.405 10.817 0.127 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.618 8.772 0.454 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.839 10.401 1.369 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.346 9.118 1.575 1.00 0.00 C ATOM 424 CE3 TRP A 28 -0.016 7.522 0.350 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.507 8.270 2.676 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.155 6.685 1.460 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.884 7.019 2.595 1.00 0.00 C ATOM 0 H TRP A 28 1.901 7.595 -2.435 1.00 0.00 H new ATOM 0 HA TRP A 28 0.276 9.517 -3.890 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.205 10.980 -2.098 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.966 9.430 -1.799 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.634 11.780 -0.306 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.416 10.937 2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.590 7.230 -0.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.081 8.565 3.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.312 5.712 1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.970 6.317 3.411 1.00 0.00 H new ATOM 438 N SER A 29 2.249 11.191 -3.489 1.00 0.00 N ATOM 439 CA SER A 29 3.506 11.901 -3.649 1.00 0.00 C ATOM 440 C SER A 29 3.706 12.879 -2.489 1.00 0.00 C ATOM 441 O SER A 29 2.737 13.369 -1.912 1.00 0.00 O ATOM 442 CB SER A 29 3.552 12.645 -4.985 1.00 0.00 C ATOM 443 OG SER A 29 4.599 13.611 -5.022 1.00 0.00 O ATOM 0 H SER A 29 1.418 11.742 -3.702 1.00 0.00 H new ATOM 0 HA SER A 29 4.315 11.170 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.691 11.928 -5.794 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.596 13.140 -5.158 1.00 0.00 H new ATOM 0 HG SER A 29 4.596 14.063 -5.891 1.00 0.00 H new ATOM 449 N ASP A 30 4.970 13.133 -2.183 1.00 0.00 N ATOM 450 CA ASP A 30 5.309 14.044 -1.103 1.00 0.00 C ATOM 451 C ASP A 30 6.589 14.801 -1.462 1.00 0.00 C ATOM 452 O ASP A 30 7.290 14.430 -2.402 1.00 0.00 O ATOM 453 CB ASP A 30 5.560 13.283 0.201 1.00 0.00 C ATOM 454 CG ASP A 30 4.318 12.646 0.827 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.209 13.119 0.497 1.00 0.00 O ATOM 456 OD2 ASP A 30 4.506 11.700 1.622 1.00 0.00 O ATOM 0 H ASP A 30 5.771 12.724 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 30 4.473 14.730 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.295 12.501 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.002 13.968 0.924 1.00 0.00 H new ATOM 461 N HIS A 31 6.854 15.849 -0.696 1.00 0.00 N ATOM 462 CA HIS A 31 8.037 16.661 -0.922 1.00 0.00 C ATOM 463 C HIS A 31 9.290 15.845 -0.598 1.00 0.00 C ATOM 464 O HIS A 31 10.406 16.271 -0.891 1.00 0.00 O ATOM 465 CB HIS A 31 7.959 17.967 -0.129 1.00 0.00 C ATOM 466 CG HIS A 31 8.686 19.122 -0.775 1.00 0.00 C ATOM 467 ND1 HIS A 31 9.287 20.133 -0.044 1.00 0.00 N ATOM 468 CD2 HIS A 31 8.903 19.416 -2.089 1.00 0.00 C ATOM 469 CE1 HIS A 31 9.837 20.991 -0.891 1.00 0.00 C ATOM 470 NE2 HIS A 31 9.597 20.545 -2.158 1.00 0.00 N ATOM 0 H HIS A 31 6.269 16.154 0.082 1.00 0.00 H new ATOM 0 HA HIS A 31 8.092 16.944 -1.973 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.912 18.238 0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.373 17.801 0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.567 18.829 -2.931 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.380 21.886 -0.625 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.901 21.004 -3.017 1.00 0.00 H new ATOM 479 N ARG A 32 9.063 14.685 0.002 1.00 0.00 N ATOM 480 CA ARG A 32 10.159 13.805 0.369 1.00 0.00 C ATOM 481 C ARG A 32 10.270 12.651 -0.629 1.00 0.00 C ATOM 482 O ARG A 32 11.355 12.112 -0.843 1.00 0.00 O ATOM 483 CB ARG A 32 9.963 13.237 1.775 1.00 0.00 C ATOM 484 CG ARG A 32 10.535 14.182 2.834 1.00 0.00 C ATOM 485 CD ARG A 32 9.734 15.485 2.897 1.00 0.00 C ATOM 486 NE ARG A 32 8.343 15.203 3.315 1.00 0.00 N ATOM 487 CZ ARG A 32 7.993 14.815 4.548 1.00 0.00 C ATOM 488 NH1 ARG A 32 8.930 14.660 5.493 1.00 0.00 N ATOM 489 NH2 ARG A 32 6.705 14.582 4.837 1.00 0.00 N ATOM 0 H ARG A 32 8.136 14.335 0.243 1.00 0.00 H new ATOM 0 HA ARG A 32 11.076 14.394 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.901 13.077 1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.450 12.265 1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.519 13.694 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.578 14.403 2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.201 16.175 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.738 15.972 1.922 1.00 0.00 H new ATOM 0 HE ARG A 32 7.604 15.311 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.910 14.838 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.663 14.364 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.991 14.700 4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.438 14.286 5.776 1.00 0.00 H new ATOM 503 N GLY A 33 9.132 12.305 -1.214 1.00 0.00 N ATOM 504 CA GLY A 33 9.088 11.224 -2.184 1.00 0.00 C ATOM 505 C GLY A 33 7.691 10.604 -2.250 1.00 0.00 C ATOM 506 O GLY A 33 6.761 11.088 -1.606 1.00 0.00 O ATOM 0 H GLY A 33 8.234 12.754 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.369 11.601 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.817 10.459 -1.915 1.00 0.00 H new ATOM 510 N THR A 34 7.587 9.541 -3.034 1.00 0.00 N ATOM 511 CA THR A 34 6.319 8.849 -3.192 1.00 0.00 C ATOM 512 C THR A 34 6.133 7.815 -2.080 1.00 0.00 C ATOM 513 O THR A 34 6.901 6.859 -1.982 1.00 0.00 O ATOM 514 CB THR A 34 6.282 8.243 -4.597 1.00 0.00 C ATOM 515 OG1 THR A 34 5.987 9.350 -5.444 1.00 0.00 O ATOM 516 CG2 THR A 34 5.098 7.296 -4.795 1.00 0.00 C ATOM 0 H THR A 34 8.360 9.142 -3.567 1.00 0.00 H new ATOM 0 HA THR A 34 5.479 9.537 -3.097 1.00 0.00 H new ATOM 0 HB THR A 34 7.211 7.706 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.946 9.048 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.119 6.894 -5.808 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.163 6.477 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.167 7.841 -4.640 1.00 0.00 H new ATOM 524 N ILE A 35 5.109 8.041 -1.270 1.00 0.00 N ATOM 525 CA ILE A 35 4.813 7.141 -0.168 1.00 0.00 C ATOM 526 C ILE A 35 3.792 6.098 -0.628 1.00 0.00 C ATOM 527 O ILE A 35 2.813 6.433 -1.292 1.00 0.00 O ATOM 528 CB ILE A 35 4.372 7.931 1.066 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.459 8.915 1.504 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.958 6.991 2.199 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.139 9.509 2.877 1.00 0.00 C ATOM 0 H ILE A 35 4.474 8.835 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 35 5.710 6.599 0.133 1.00 0.00 H new ATOM 0 HB ILE A 35 3.494 8.520 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.422 8.406 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.548 9.715 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.649 7.578 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.128 6.367 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.802 6.358 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.927 10.205 3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.187 10.038 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.075 8.708 3.614 1.00 0.00 H new ATOM 543 N ILE A 36 4.057 4.854 -0.257 1.00 0.00 N ATOM 544 CA ILE A 36 3.174 3.760 -0.623 1.00 0.00 C ATOM 545 C ILE A 36 2.843 2.938 0.625 1.00 0.00 C ATOM 546 O ILE A 36 3.742 2.431 1.295 1.00 0.00 O ATOM 547 CB ILE A 36 3.783 2.936 -1.759 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.442 3.842 -2.801 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.740 2.008 -2.384 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.085 3.017 -3.917 1.00 0.00 C ATOM 0 H ILE A 36 4.871 4.580 0.293 1.00 0.00 H new ATOM 0 HA ILE A 36 2.231 4.145 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 36 4.566 2.304 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.698 4.516 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.198 4.463 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.199 1.434 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.358 1.326 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.919 2.602 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.546 3.685 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.846 2.362 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.322 2.415 -4.410 1.00 0.00 H new ATOM 562 N GLU A 37 1.552 2.830 0.899 1.00 0.00 N ATOM 563 CA GLU A 37 1.092 2.078 2.054 1.00 0.00 C ATOM 564 C GLU A 37 0.106 0.990 1.621 1.00 0.00 C ATOM 565 O GLU A 37 -0.988 1.292 1.147 1.00 0.00 O ATOM 566 CB GLU A 37 0.463 3.004 3.096 1.00 0.00 C ATOM 567 CG GLU A 37 1.526 3.573 4.037 1.00 0.00 C ATOM 568 CD GLU A 37 0.935 3.873 5.416 1.00 0.00 C ATOM 569 OE1 GLU A 37 0.878 2.924 6.228 1.00 0.00 O ATOM 570 OE2 GLU A 37 0.553 5.044 5.627 1.00 0.00 O ATOM 0 H GLU A 37 0.809 3.251 0.341 1.00 0.00 H new ATOM 0 HA GLU A 37 1.954 1.597 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.058 3.820 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.282 2.456 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.347 2.863 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.944 4.485 3.610 1.00 0.00 H new ATOM 577 N ARG A 38 0.530 -0.253 1.798 1.00 0.00 N ATOM 578 CA ARG A 38 -0.301 -1.387 1.432 1.00 0.00 C ATOM 579 C ARG A 38 -0.663 -2.203 2.675 1.00 0.00 C ATOM 580 O ARG A 38 0.002 -2.101 3.704 1.00 0.00 O ATOM 581 CB ARG A 38 0.414 -2.291 0.427 1.00 0.00 C ATOM 582 CG ARG A 38 1.012 -1.473 -0.719 1.00 0.00 C ATOM 583 CD ARG A 38 1.875 -2.350 -1.628 1.00 0.00 C ATOM 584 NE ARG A 38 1.835 -1.836 -3.015 1.00 0.00 N ATOM 585 CZ ARG A 38 2.718 -0.962 -3.518 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.715 -0.500 -2.751 1.00 0.00 N ATOM 587 NH2 ARG A 38 2.604 -0.550 -4.788 1.00 0.00 N ATOM 0 H ARG A 38 1.439 -0.499 2.190 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.209 -0.998 0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.204 -2.848 0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.288 -3.023 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.211 -1.017 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.614 -0.660 -0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.903 -2.362 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.516 -3.379 -1.602 1.00 0.00 H new ATOM 0 HE ARG A 38 1.089 -2.167 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.802 -0.813 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.387 0.165 -3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.845 -0.901 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.276 0.115 -5.171 1.00 0.00 H new ATOM 601 N GLY A 39 -1.717 -2.994 2.538 1.00 0.00 N ATOM 602 CA GLY A 39 -2.175 -3.827 3.636 1.00 0.00 C ATOM 603 C GLY A 39 -3.382 -4.670 3.219 1.00 0.00 C ATOM 604 O GLY A 39 -3.842 -4.581 2.081 1.00 0.00 O ATOM 0 H GLY A 39 -2.267 -3.075 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.366 -4.480 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.442 -3.199 4.486 1.00 0.00 H new ATOM 608 N CYS A 40 -3.862 -5.467 4.162 1.00 0.00 N ATOM 609 CA CYS A 40 -5.006 -6.325 3.906 1.00 0.00 C ATOM 610 C CYS A 40 -6.279 -5.507 4.131 1.00 0.00 C ATOM 611 O CYS A 40 -6.286 -4.569 4.928 1.00 0.00 O ATOM 612 CB CYS A 40 -4.975 -7.583 4.776 1.00 0.00 C ATOM 613 SG CYS A 40 -3.887 -8.918 4.157 1.00 0.00 S ATOM 0 H CYS A 40 -3.479 -5.537 5.105 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.978 -6.675 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.652 -7.306 5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.989 -7.972 4.864 1.00 0.00 H new ATOM 618 N GLY A 41 -7.326 -5.891 3.416 1.00 0.00 N ATOM 619 CA GLY A 41 -8.602 -5.205 3.527 1.00 0.00 C ATOM 620 C GLY A 41 -8.750 -4.143 2.436 1.00 0.00 C ATOM 621 O GLY A 41 -7.995 -4.135 1.465 1.00 0.00 O ATOM 0 H GLY A 41 -7.317 -6.669 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.415 -5.927 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.683 -4.737 4.508 1.00 0.00 H new ATOM 625 N CYS A 42 -9.729 -3.272 2.631 1.00 0.00 N ATOM 626 CA CYS A 42 -9.986 -2.208 1.676 1.00 0.00 C ATOM 627 C CYS A 42 -10.442 -0.968 2.448 1.00 0.00 C ATOM 628 O CYS A 42 -11.621 -0.618 2.427 1.00 0.00 O ATOM 629 CB CYS A 42 -11.010 -2.631 0.620 1.00 0.00 C ATOM 630 SG CYS A 42 -11.532 -1.298 -0.520 1.00 0.00 S ATOM 0 H CYS A 42 -10.354 -3.282 3.437 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.071 -1.978 1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.590 -3.448 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.892 -3.023 1.126 1.00 0.00 H new ATOM 635 N PRO A 43 -9.484 -0.338 3.112 1.00 0.00 N ATOM 636 CA PRO A 43 -9.695 0.867 3.916 1.00 0.00 C ATOM 637 C PRO A 43 -10.008 2.069 3.023 1.00 0.00 C ATOM 638 O PRO A 43 -10.069 1.938 1.801 1.00 0.00 O ATOM 639 CB PRO A 43 -8.356 1.055 4.632 1.00 0.00 C ATOM 640 CG PRO A 43 -7.363 0.421 3.701 1.00 0.00 C ATOM 641 CD PRO A 43 -8.084 -0.767 3.128 1.00 0.00 C ATOM 0 HA PRO A 43 -10.537 0.779 4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.134 2.109 4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.353 0.573 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.056 1.114 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.460 0.119 4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.727 -1.010 2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.943 -1.657 3.741 1.00 0.00 H new ATOM 649 N LYS A 44 -10.199 3.212 3.666 1.00 0.00 N ATOM 650 CA LYS A 44 -10.504 4.435 2.943 1.00 0.00 C ATOM 651 C LYS A 44 -9.356 5.429 3.125 1.00 0.00 C ATOM 652 O LYS A 44 -8.789 5.537 4.212 1.00 0.00 O ATOM 653 CB LYS A 44 -11.866 4.984 3.371 1.00 0.00 C ATOM 654 CG LYS A 44 -11.810 5.543 4.794 1.00 0.00 C ATOM 655 CD LYS A 44 -13.208 5.613 5.411 1.00 0.00 C ATOM 656 CE LYS A 44 -14.059 6.682 4.722 1.00 0.00 C ATOM 657 NZ LYS A 44 -15.499 6.427 4.954 1.00 0.00 N ATOM 0 H LYS A 44 -10.148 3.317 4.679 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.588 4.236 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.179 5.767 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.614 4.193 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.168 4.914 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.364 6.538 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.697 4.643 5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.129 5.836 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.792 7.668 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.852 6.686 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.062 7.161 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.753 5.494 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.695 6.446 5.975 1.00 0.00 H new ATOM 671 N VAL A 45 -9.046 6.131 2.045 1.00 0.00 N ATOM 672 CA VAL A 45 -7.975 7.113 2.072 1.00 0.00 C ATOM 673 C VAL A 45 -8.567 8.511 1.880 1.00 0.00 C ATOM 674 O VAL A 45 -9.706 8.652 1.440 1.00 0.00 O ATOM 675 CB VAL A 45 -6.918 6.763 1.023 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.390 5.342 1.231 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.468 6.942 -0.393 1.00 0.00 C ATOM 0 H VAL A 45 -9.518 6.039 1.145 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.471 7.102 3.038 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.083 7.453 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.640 5.118 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.940 5.262 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.213 4.632 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.696 6.686 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.329 6.289 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.772 7.979 -0.537 1.00 0.00 H new ATOM 687 N LYS A 46 -7.766 9.510 2.221 1.00 0.00 N ATOM 688 CA LYS A 46 -8.195 10.892 2.093 1.00 0.00 C ATOM 689 C LYS A 46 -7.925 11.375 0.666 1.00 0.00 C ATOM 690 O LYS A 46 -7.252 10.694 -0.106 1.00 0.00 O ATOM 691 CB LYS A 46 -7.541 11.759 3.170 1.00 0.00 C ATOM 692 CG LYS A 46 -7.461 11.011 4.502 1.00 0.00 C ATOM 693 CD LYS A 46 -7.061 11.955 5.638 1.00 0.00 C ATOM 694 CE LYS A 46 -6.390 11.186 6.779 1.00 0.00 C ATOM 695 NZ LYS A 46 -7.404 10.689 7.735 1.00 0.00 N ATOM 0 H LYS A 46 -6.821 9.389 2.586 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.269 10.974 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.540 12.048 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.113 12.678 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.426 10.555 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.736 10.201 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.381 12.718 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.944 12.473 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.821 10.349 6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.682 11.834 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.932 10.170 8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.930 11.493 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.064 10.054 7.242 1.00 0.00 H new ATOM 709 N PRO A 47 -8.463 12.546 0.360 1.00 0.00 N ATOM 710 CA PRO A 47 -8.333 13.199 -0.944 1.00 0.00 C ATOM 711 C PRO A 47 -6.855 13.432 -1.264 1.00 0.00 C ATOM 712 O PRO A 47 -6.100 13.902 -0.415 1.00 0.00 O ATOM 713 CB PRO A 47 -9.041 14.541 -0.749 1.00 0.00 C ATOM 714 CG PRO A 47 -10.006 14.278 0.371 1.00 0.00 C ATOM 715 CD PRO A 47 -9.263 13.349 1.289 1.00 0.00 C ATOM 0 HA PRO A 47 -8.751 12.610 -1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.336 15.332 -0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.557 14.856 -1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.286 15.200 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.927 13.824 0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.637 13.894 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.943 12.731 1.876 1.00 0.00 H new ATOM 723 N GLY A 48 -6.487 13.093 -2.491 1.00 0.00 N ATOM 724 CA GLY A 48 -5.113 13.260 -2.933 1.00 0.00 C ATOM 725 C GLY A 48 -4.368 11.923 -2.924 1.00 0.00 C ATOM 726 O GLY A 48 -3.523 11.674 -3.782 1.00 0.00 O ATOM 0 H GLY A 48 -7.117 12.704 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.099 13.681 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.602 13.970 -2.283 1.00 0.00 H new ATOM 730 N VAL A 49 -4.709 11.098 -1.945 1.00 0.00 N ATOM 731 CA VAL A 49 -4.084 9.794 -1.813 1.00 0.00 C ATOM 732 C VAL A 49 -4.763 8.809 -2.767 1.00 0.00 C ATOM 733 O VAL A 49 -5.965 8.902 -3.009 1.00 0.00 O ATOM 734 CB VAL A 49 -4.127 9.338 -0.353 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.078 8.256 -0.086 1.00 0.00 C ATOM 736 CG2 VAL A 49 -3.947 10.523 0.597 1.00 0.00 C ATOM 0 H VAL A 49 -5.411 11.308 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.032 9.845 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.110 8.905 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.129 7.949 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.271 7.396 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.085 8.651 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.982 10.171 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.984 10.998 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.747 11.245 0.433 1.00 0.00 H new ATOM 746 N ASN A 50 -3.963 7.887 -3.283 1.00 0.00 N ATOM 747 CA ASN A 50 -4.471 6.886 -4.205 1.00 0.00 C ATOM 748 C ASN A 50 -4.717 5.579 -3.448 1.00 0.00 C ATOM 749 O ASN A 50 -3.972 5.240 -2.531 1.00 0.00 O ATOM 750 CB ASN A 50 -3.464 6.603 -5.321 1.00 0.00 C ATOM 751 CG ASN A 50 -3.477 7.719 -6.368 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.325 7.775 -7.242 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.491 8.601 -6.230 1.00 0.00 N ATOM 0 H ASN A 50 -2.966 7.813 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.394 7.267 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.464 6.508 -4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.701 5.651 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.412 9.384 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.814 8.495 -5.475 1.00 0.00 H new ATOM 760 N LEU A 51 -5.766 4.883 -3.860 1.00 0.00 N ATOM 761 CA LEU A 51 -6.120 3.621 -3.232 1.00 0.00 C ATOM 762 C LEU A 51 -6.674 2.666 -4.291 1.00 0.00 C ATOM 763 O LEU A 51 -7.423 3.081 -5.175 1.00 0.00 O ATOM 764 CB LEU A 51 -7.072 3.856 -2.057 1.00 0.00 C ATOM 765 CG LEU A 51 -7.696 2.603 -1.439 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.617 1.597 -1.032 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.611 2.967 -0.268 1.00 0.00 C ATOM 0 H LEU A 51 -6.382 5.169 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.236 3.146 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.530 4.390 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.876 4.511 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.316 2.122 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.087 0.716 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.043 1.304 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.952 2.054 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.042 2.059 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.033 3.484 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.411 3.618 -0.620 1.00 0.00 H new ATOM 779 N ASN A 52 -6.284 1.406 -4.168 1.00 0.00 N ATOM 780 CA ASN A 52 -6.733 0.389 -5.104 1.00 0.00 C ATOM 781 C ASN A 52 -7.066 -0.892 -4.338 1.00 0.00 C ATOM 782 O ASN A 52 -6.204 -1.464 -3.673 1.00 0.00 O ATOM 783 CB ASN A 52 -5.641 0.060 -6.124 1.00 0.00 C ATOM 784 CG ASN A 52 -5.880 -1.311 -6.760 1.00 0.00 C ATOM 785 OD1 ASN A 52 -4.982 -2.125 -6.899 1.00 0.00 O ATOM 786 ND2 ASN A 52 -7.138 -1.521 -7.137 1.00 0.00 N ATOM 0 H ASN A 52 -5.662 1.066 -3.435 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.610 0.773 -5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.620 0.826 -6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.666 0.074 -5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.399 -2.406 -7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.842 -0.797 -6.992 1.00 0.00 H new ATOM 793 N CYS A 53 -8.319 -1.305 -4.456 1.00 0.00 N ATOM 794 CA CYS A 53 -8.777 -2.509 -3.782 1.00 0.00 C ATOM 795 C CYS A 53 -9.029 -3.585 -4.840 1.00 0.00 C ATOM 796 O CYS A 53 -9.467 -3.281 -5.949 1.00 0.00 O ATOM 797 CB CYS A 53 -10.021 -2.242 -2.932 1.00 0.00 C ATOM 798 SG CYS A 53 -9.827 -0.920 -1.682 1.00 0.00 S ATOM 0 H CYS A 53 -9.032 -0.828 -5.008 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.011 -2.855 -3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.846 -1.979 -3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.302 -3.165 -2.424 1.00 0.00 H new ATOM 803 N CYS A 54 -8.742 -4.822 -4.460 1.00 0.00 N ATOM 804 CA CYS A 54 -8.932 -5.945 -5.362 1.00 0.00 C ATOM 805 C CYS A 54 -9.160 -7.203 -4.522 1.00 0.00 C ATOM 806 O CYS A 54 -8.878 -7.213 -3.324 1.00 0.00 O ATOM 807 CB CYS A 54 -7.751 -6.106 -6.322 1.00 0.00 C ATOM 808 SG CYS A 54 -6.112 -5.750 -5.589 1.00 0.00 S ATOM 0 H CYS A 54 -8.379 -5.071 -3.540 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.804 -5.766 -5.990 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.748 -7.127 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.903 -5.446 -7.176 1.00 0.00 H new ATOM 813 N ARG A 55 -9.667 -8.233 -5.182 1.00 0.00 N ATOM 814 CA ARG A 55 -9.936 -9.493 -4.511 1.00 0.00 C ATOM 815 C ARG A 55 -8.981 -10.577 -5.014 1.00 0.00 C ATOM 816 O ARG A 55 -9.404 -11.694 -5.310 1.00 0.00 O ATOM 817 CB ARG A 55 -11.379 -9.946 -4.746 1.00 0.00 C ATOM 818 CG ARG A 55 -12.371 -8.933 -4.170 1.00 0.00 C ATOM 819 CD ARG A 55 -13.669 -8.916 -4.981 1.00 0.00 C ATOM 820 NE ARG A 55 -14.475 -7.728 -4.621 1.00 0.00 N ATOM 821 CZ ARG A 55 -15.528 -7.293 -5.325 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.909 -7.945 -6.432 1.00 0.00 N ATOM 823 NH2 ARG A 55 -16.200 -6.206 -4.923 1.00 0.00 N ATOM 0 H ARG A 55 -9.899 -8.221 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.785 -9.338 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.557 -10.067 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.538 -10.920 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.590 -9.182 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.924 -7.939 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.441 -8.902 -6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.240 -9.825 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.212 -7.208 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.397 -8.772 -6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.711 -7.614 -6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.910 -5.710 -4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.002 -5.875 -5.459 1.00 0.00 H new ATOM 837 N THR A 56 -7.710 -10.210 -5.095 1.00 0.00 N ATOM 838 CA THR A 56 -6.691 -11.137 -5.557 1.00 0.00 C ATOM 839 C THR A 56 -5.488 -11.122 -4.613 1.00 0.00 C ATOM 840 O THR A 56 -5.130 -10.075 -4.074 1.00 0.00 O ATOM 841 CB THR A 56 -6.336 -10.769 -6.999 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.453 -9.349 -7.034 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.385 -11.254 -8.003 1.00 0.00 C ATOM 0 H THR A 56 -7.363 -9.283 -4.848 1.00 0.00 H new ATOM 0 HA THR A 56 -7.058 -12.163 -5.549 1.00 0.00 H new ATOM 0 HB THR A 56 -5.366 -11.195 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.238 -9.025 -7.934 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.084 -10.967 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.470 -12.339 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.349 -10.802 -7.769 1.00 0.00 H new ATOM 851 N ASP A 57 -4.897 -12.295 -4.440 1.00 0.00 N ATOM 852 CA ASP A 57 -3.741 -12.429 -3.569 1.00 0.00 C ATOM 853 C ASP A 57 -2.602 -11.557 -4.102 1.00 0.00 C ATOM 854 O ASP A 57 -2.390 -11.478 -5.311 1.00 0.00 O ATOM 855 CB ASP A 57 -3.248 -13.877 -3.528 1.00 0.00 C ATOM 856 CG ASP A 57 -4.277 -14.897 -3.036 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.436 -14.992 -1.799 1.00 0.00 O ATOM 858 OD2 ASP A 57 -4.883 -15.558 -3.907 1.00 0.00 O ATOM 0 H ASP A 57 -5.197 -13.161 -4.888 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.036 -12.119 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.925 -14.163 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.371 -13.928 -2.883 1.00 0.00 H new ATOM 863 N ARG A 58 -1.900 -10.925 -3.174 1.00 0.00 N ATOM 864 CA ARG A 58 -0.788 -10.062 -3.535 1.00 0.00 C ATOM 865 C ARG A 58 -1.145 -9.222 -4.763 1.00 0.00 C ATOM 866 O ARG A 58 -0.298 -8.981 -5.622 1.00 0.00 O ATOM 867 CB ARG A 58 0.470 -10.880 -3.832 1.00 0.00 C ATOM 868 CG ARG A 58 0.605 -12.051 -2.858 1.00 0.00 C ATOM 869 CD ARG A 58 2.048 -12.559 -2.808 1.00 0.00 C ATOM 870 NE ARG A 58 2.260 -13.363 -1.584 1.00 0.00 N ATOM 871 CZ ARG A 58 3.428 -13.927 -1.248 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.497 -13.777 -2.042 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.528 -14.639 -0.118 1.00 0.00 N ATOM 0 H ARG A 58 -2.079 -10.993 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.589 -9.406 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.431 -11.256 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.349 -10.240 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.291 -11.738 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.059 -12.860 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.260 -13.162 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.739 -11.717 -2.824 1.00 0.00 H new ATOM 0 HE ARG A 58 1.467 -13.496 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.421 -13.234 -2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.386 -14.206 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.715 -14.752 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.417 -15.068 0.137 1.00 0.00 H new ATOM 887 N CYS A 59 -2.401 -8.801 -4.808 1.00 0.00 N ATOM 888 CA CYS A 59 -2.880 -7.993 -5.917 1.00 0.00 C ATOM 889 C CYS A 59 -2.591 -6.524 -5.602 1.00 0.00 C ATOM 890 O CYS A 59 -2.521 -5.694 -6.507 1.00 0.00 O ATOM 891 CB CYS A 59 -4.365 -8.237 -6.193 1.00 0.00 C ATOM 892 SG CYS A 59 -5.503 -7.525 -4.949 1.00 0.00 S ATOM 0 H CYS A 59 -3.101 -9.004 -4.095 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.357 -8.276 -6.830 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.612 -7.822 -7.170 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.538 -9.312 -6.250 1.00 0.00 H new ATOM 897 N ASN A 60 -2.431 -6.248 -4.316 1.00 0.00 N ATOM 898 CA ASN A 60 -2.151 -4.894 -3.871 1.00 0.00 C ATOM 899 C ASN A 60 -0.640 -4.716 -3.711 1.00 0.00 C ATOM 900 O ASN A 60 -0.175 -4.211 -2.690 1.00 0.00 O ATOM 901 CB ASN A 60 -2.806 -4.613 -2.517 1.00 0.00 C ATOM 902 CG ASN A 60 -2.131 -5.418 -1.404 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.866 -6.602 -1.532 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.870 -4.711 -0.308 1.00 0.00 N ATOM 0 H ASN A 60 -2.490 -6.939 -3.568 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.551 -4.205 -4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.741 -3.549 -2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.865 -4.865 -2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.421 -5.157 0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.118 -3.723 -0.268 1.00 0.00 H new ATOM 911 N ASN A 61 0.086 -5.141 -4.735 1.00 0.00 N ATOM 912 CA ASN A 61 1.535 -5.035 -4.721 1.00 0.00 C ATOM 913 C ASN A 61 1.947 -3.662 -5.255 1.00 0.00 C ATOM 914 O ASN A 61 3.036 -3.200 -4.852 1.00 0.00 O ATOM 915 CB ASN A 61 2.174 -6.101 -5.614 1.00 0.00 C ATOM 916 CG ASN A 61 3.660 -5.813 -5.834 1.00 0.00 C ATOM 917 OD1 ASN A 61 4.474 -5.885 -4.927 1.00 0.00 O ATOM 918 ND2 ASN A 61 3.968 -5.483 -7.085 1.00 0.00 N ATOM 919 OXT ASN A 61 1.163 -3.105 -6.053 1.00 0.00 O ATOM 0 H ASN A 61 -0.303 -5.560 -5.580 1.00 0.00 H new ATOM 0 HA ASN A 61 1.873 -5.175 -3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.054 -7.083 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.660 -6.132 -6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.934 -5.272 -7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.238 -5.441 -7.796 1.00 0.00 H new