USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 HIS : no HE2:sc= -0.178 X(o=-0.21,f=-0.29) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= -0.0365 USER MOD Set 2.1: A 10 ASN : amide:sc= -0.024 K(o=-0.11,f=-3.8) USER MOD Set 2.2: A 13 MET CE :methyl 139:sc= -0.0848 (180deg=-0.879) USER MOD Set 3.1: A 7 THR OG1 : rot 156:sc= 1.23 USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= 0.73 USER MOD Single : A 6 MET CE :methyl -173:sc= 0 (180deg=-0.0823) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.61! K(o=-2.6!,f=-0.28) USER MOD Single : A 17 ASN : amide:sc= -0.801 K(o=-0.8,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.55) USER MOD Single : A 20 THR OG1 : rot -77:sc= 0.742 USER MOD Single : A 30 SER OG : rot -21:sc= 0.227 USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -1.06 (180deg=-2.02!) USER MOD Single : A 42 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-6!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -136:sc= -1.04 (180deg=-1.87) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.99 K(o=0.99,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.421 K(o=-0.42,f=-2) USER MOD Single : A 61 THR OG1 : rot -59:sc= 0.141 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.308 K(o=0.31,f=-9.7!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 160:sc= -0.243 (180deg=-0.873) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 75 HIS : no HD1:sc= -0.651 K(o=-0.65,f=0.16) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 77 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 9.222 -7.783 -4.832 1.00 62.50 N ATOM 50 CA PRO A 5 7.942 -7.436 -5.459 1.00 61.20 C ATOM 51 C PRO A 5 8.007 -6.180 -6.360 1.00 34.33 C ATOM 52 O PRO A 5 7.861 -6.276 -7.579 1.00 52.34 O ATOM 53 CB PRO A 5 7.012 -7.190 -4.249 1.00 42.40 C ATOM 54 CG PRO A 5 7.876 -7.300 -3.019 1.00 24.43 C ATOM 55 CD PRO A 5 9.306 -7.222 -3.482 1.00 0.20 C ATOM 0 HA PRO A 5 7.606 -8.224 -6.133 1.00 61.20 H new ATOM 0 HB2 PRO A 5 6.547 -6.206 -4.310 1.00 42.40 H new ATOM 0 HB3 PRO A 5 6.205 -7.923 -4.224 1.00 42.40 H new ATOM 0 HG2 PRO A 5 7.653 -6.497 -2.317 1.00 24.43 H new ATOM 0 HG3 PRO A 5 7.689 -8.239 -2.498 1.00 24.43 H new ATOM 0 HD2 PRO A 5 9.677 -6.197 -3.489 1.00 0.20 H new ATOM 0 HD3 PRO A 5 9.974 -7.798 -2.842 1.00 0.20 H new ATOM 63 N MET A 6 8.209 -5.006 -5.744 1.00 34.42 N ATOM 64 CA MET A 6 8.185 -3.700 -6.445 1.00 14.31 C ATOM 65 C MET A 6 6.783 -3.302 -6.963 1.00 42.22 C ATOM 66 O MET A 6 6.432 -2.125 -6.936 1.00 72.03 O ATOM 67 CB MET A 6 9.206 -3.639 -7.597 1.00 42.22 C ATOM 68 CG MET A 6 10.652 -3.476 -7.140 1.00 73.21 C ATOM 69 SD MET A 6 11.757 -2.981 -8.483 1.00 42.53 S ATOM 70 CE MET A 6 11.630 -4.395 -9.577 1.00 71.22 C ATOM 0 H MET A 6 8.394 -4.928 -4.744 1.00 34.42 H new ATOM 0 HA MET A 6 8.469 -2.972 -5.685 1.00 14.31 H new ATOM 0 HB2 MET A 6 9.124 -4.550 -8.189 1.00 42.22 H new ATOM 0 HB3 MET A 6 8.948 -2.808 -8.253 1.00 42.22 H new ATOM 0 HG2 MET A 6 10.696 -2.731 -6.346 1.00 73.21 H new ATOM 0 HG3 MET A 6 11.002 -4.416 -6.715 1.00 73.21 H new ATOM 0 HE1 MET A 6 12.350 -4.293 -10.389 1.00 71.22 H new ATOM 0 HE2 MET A 6 11.840 -5.307 -9.019 1.00 71.22 H new ATOM 0 HE3 MET A 6 10.623 -4.446 -9.990 1.00 71.22 H new ATOM 80 N THR A 7 5.990 -4.271 -7.430 1.00 70.53 N ATOM 81 CA THR A 7 4.639 -3.998 -7.962 1.00 42.22 C ATOM 82 C THR A 7 3.798 -3.124 -7.016 1.00 73.45 C ATOM 83 O THR A 7 3.091 -2.218 -7.460 1.00 24.33 O ATOM 84 CB THR A 7 3.863 -5.304 -8.240 1.00 42.03 C ATOM 85 OG1 THR A 7 3.702 -6.053 -7.025 1.00 11.55 O ATOM 86 CG2 THR A 7 4.587 -6.162 -9.274 1.00 0.13 C ATOM 0 H THR A 7 6.255 -5.256 -7.453 1.00 70.53 H new ATOM 0 HA THR A 7 4.797 -3.456 -8.894 1.00 42.22 H new ATOM 0 HB THR A 7 2.883 -5.034 -8.635 1.00 42.03 H new ATOM 0 HG1 THR A 7 2.919 -6.637 -7.102 1.00 11.55 H new ATOM 0 HG21 THR A 7 4.019 -7.075 -9.451 1.00 0.13 H new ATOM 0 HG22 THR A 7 4.680 -5.606 -10.207 1.00 0.13 H new ATOM 0 HG23 THR A 7 5.580 -6.418 -8.904 1.00 0.13 H new ATOM 94 N PHE A 8 3.882 -3.400 -5.715 1.00 73.03 N ATOM 95 CA PHE A 8 3.211 -2.576 -4.696 1.00 51.35 C ATOM 96 C PHE A 8 3.574 -1.087 -4.859 1.00 1.12 C ATOM 97 O PHE A 8 2.723 -0.206 -4.733 1.00 73.32 O ATOM 98 CB PHE A 8 3.606 -3.068 -3.292 1.00 65.11 C ATOM 99 CG PHE A 8 2.924 -2.331 -2.161 1.00 2.31 C ATOM 100 CD1 PHE A 8 1.645 -2.683 -1.758 1.00 62.01 C ATOM 101 CD2 PHE A 8 3.568 -1.294 -1.497 1.00 21.11 C ATOM 102 CE1 PHE A 8 1.022 -2.018 -0.720 1.00 51.33 C ATOM 103 CE2 PHE A 8 2.948 -0.624 -0.459 1.00 52.41 C ATOM 104 CZ PHE A 8 1.673 -0.988 -0.069 1.00 32.34 C ATOM 0 H PHE A 8 4.408 -4.188 -5.336 1.00 73.03 H new ATOM 0 HA PHE A 8 2.133 -2.675 -4.826 1.00 51.35 H new ATOM 0 HB2 PHE A 8 3.372 -4.130 -3.212 1.00 65.11 H new ATOM 0 HB3 PHE A 8 4.685 -2.970 -3.176 1.00 65.11 H new ATOM 0 HD1 PHE A 8 1.129 -3.487 -2.262 1.00 62.01 H new ATOM 0 HD2 PHE A 8 4.566 -1.008 -1.796 1.00 21.11 H new ATOM 0 HE1 PHE A 8 0.025 -2.303 -0.417 1.00 51.33 H new ATOM 0 HE2 PHE A 8 3.459 0.182 0.046 1.00 52.41 H new ATOM 0 HZ PHE A 8 1.187 -0.468 0.743 1.00 32.34 H new ATOM 114 N TYR A 9 4.846 -0.826 -5.153 1.00 71.32 N ATOM 115 CA TYR A 9 5.334 0.536 -5.382 1.00 23.22 C ATOM 116 C TYR A 9 4.904 1.043 -6.769 1.00 23.34 C ATOM 117 O TYR A 9 4.536 2.206 -6.930 1.00 30.15 O ATOM 118 CB TYR A 9 6.864 0.565 -5.250 1.00 50.11 C ATOM 119 CG TYR A 9 7.487 1.934 -5.453 1.00 73.12 C ATOM 120 CD1 TYR A 9 7.484 2.880 -4.432 1.00 45.43 C ATOM 121 CD2 TYR A 9 8.084 2.278 -6.663 1.00 52.31 C ATOM 122 CE1 TYR A 9 8.058 4.124 -4.610 1.00 5.34 C ATOM 123 CE2 TYR A 9 8.660 3.521 -6.848 1.00 55.54 C ATOM 124 CZ TYR A 9 8.643 4.441 -5.818 1.00 43.13 C ATOM 125 OH TYR A 9 9.218 5.684 -5.995 1.00 71.34 O ATOM 0 H TYR A 9 5.564 -1.545 -5.239 1.00 71.32 H new ATOM 0 HA TYR A 9 4.898 1.197 -4.632 1.00 23.22 H new ATOM 0 HB2 TYR A 9 7.138 0.198 -4.261 1.00 50.11 H new ATOM 0 HB3 TYR A 9 7.292 -0.126 -5.976 1.00 50.11 H new ATOM 0 HD1 TYR A 9 7.025 2.637 -3.485 1.00 45.43 H new ATOM 0 HD2 TYR A 9 8.097 1.561 -7.471 1.00 52.31 H new ATOM 0 HE1 TYR A 9 8.049 4.845 -3.806 1.00 5.34 H new ATOM 0 HE2 TYR A 9 9.121 3.771 -7.792 1.00 55.54 H new ATOM 0 HH TYR A 9 9.587 5.748 -6.901 1.00 71.34 H new ATOM 135 N ASN A 10 4.948 0.155 -7.766 1.00 71.42 N ATOM 136 CA ASN A 10 4.529 0.487 -9.136 1.00 10.11 C ATOM 137 C ASN A 10 3.076 0.989 -9.176 1.00 5.22 C ATOM 138 O ASN A 10 2.724 1.836 -9.996 1.00 53.43 O ATOM 139 CB ASN A 10 4.696 -0.740 -10.046 1.00 31.43 C ATOM 140 CG ASN A 10 4.247 -0.484 -11.476 1.00 13.41 C ATOM 141 OD1 ASN A 10 5.008 0.009 -12.300 1.00 13.21 O ATOM 142 ND2 ASN A 10 3.015 -0.838 -11.788 1.00 24.10 N ATOM 0 H ASN A 10 5.271 -0.806 -7.651 1.00 71.42 H new ATOM 0 HA ASN A 10 5.166 1.294 -9.498 1.00 10.11 H new ATOM 0 HB2 ASN A 10 5.743 -1.044 -10.048 1.00 31.43 H new ATOM 0 HB3 ASN A 10 4.124 -1.571 -9.635 1.00 31.43 H new ATOM 0 HD21 ASN A 10 2.671 -0.704 -12.739 1.00 24.10 H new ATOM 0 HD22 ASN A 10 2.406 -1.246 -11.078 1.00 24.10 H new ATOM 149 N PHE A 11 2.245 0.459 -8.280 1.00 15.14 N ATOM 150 CA PHE A 11 0.839 0.872 -8.171 1.00 23.23 C ATOM 151 C PHE A 11 0.707 2.394 -7.966 1.00 33.14 C ATOM 152 O PHE A 11 -0.193 3.029 -8.523 1.00 55.11 O ATOM 153 CB PHE A 11 0.168 0.119 -7.007 1.00 35.25 C ATOM 154 CG PHE A 11 -1.310 0.406 -6.856 1.00 74.23 C ATOM 155 CD1 PHE A 11 -2.247 -0.306 -7.593 1.00 20.13 C ATOM 156 CD2 PHE A 11 -1.759 1.385 -5.978 1.00 63.01 C ATOM 157 CE1 PHE A 11 -3.600 -0.047 -7.456 1.00 14.54 C ATOM 158 CE2 PHE A 11 -3.110 1.646 -5.838 1.00 35.13 C ATOM 159 CZ PHE A 11 -4.030 0.930 -6.579 1.00 55.43 C ATOM 0 H PHE A 11 2.520 -0.262 -7.613 1.00 15.14 H new ATOM 0 HA PHE A 11 0.339 0.622 -9.107 1.00 23.23 H new ATOM 0 HB2 PHE A 11 0.306 -0.952 -7.154 1.00 35.25 H new ATOM 0 HB3 PHE A 11 0.675 0.381 -6.078 1.00 35.25 H new ATOM 0 HD1 PHE A 11 -1.917 -1.070 -8.281 1.00 20.13 H new ATOM 0 HD2 PHE A 11 -1.044 1.949 -5.398 1.00 63.01 H new ATOM 0 HE1 PHE A 11 -4.319 -0.608 -8.034 1.00 14.54 H new ATOM 0 HE2 PHE A 11 -3.445 2.408 -5.150 1.00 35.13 H new ATOM 0 HZ PHE A 11 -5.085 1.134 -6.473 1.00 55.43 H new ATOM 169 N ILE A 12 1.607 2.970 -7.166 1.00 52.23 N ATOM 170 CA ILE A 12 1.582 4.412 -6.875 1.00 32.33 C ATOM 171 C ILE A 12 2.674 5.177 -7.656 1.00 22.31 C ATOM 172 O ILE A 12 2.632 6.407 -7.770 1.00 73.30 O ATOM 173 CB ILE A 12 1.746 4.670 -5.352 1.00 34.21 C ATOM 174 CG1 ILE A 12 1.517 6.156 -5.013 1.00 12.20 C ATOM 175 CG2 ILE A 12 3.122 4.210 -4.865 1.00 12.55 C ATOM 176 CD1 ILE A 12 0.140 6.665 -5.386 1.00 71.41 C ATOM 0 H ILE A 12 2.364 2.463 -6.706 1.00 52.23 H new ATOM 0 HA ILE A 12 0.611 4.786 -7.200 1.00 32.33 H new ATOM 0 HB ILE A 12 0.988 4.085 -4.832 1.00 34.21 H new ATOM 0 HG12 ILE A 12 1.671 6.303 -3.944 1.00 12.20 H new ATOM 0 HG13 ILE A 12 2.267 6.756 -5.528 1.00 12.20 H new ATOM 0 HG21 ILE A 12 3.212 4.401 -3.796 1.00 12.55 H new ATOM 0 HG22 ILE A 12 3.237 3.143 -5.054 1.00 12.55 H new ATOM 0 HG23 ILE A 12 3.899 4.758 -5.398 1.00 12.55 H new ATOM 0 HD11 ILE A 12 0.056 7.718 -5.116 1.00 71.41 H new ATOM 0 HD12 ILE A 12 -0.011 6.552 -6.460 1.00 71.41 H new ATOM 0 HD13 ILE A 12 -0.617 6.092 -4.851 1.00 71.41 H new ATOM 188 N MET A 13 3.651 4.447 -8.196 1.00 44.31 N ATOM 189 CA MET A 13 4.744 5.058 -8.963 1.00 53.51 C ATOM 190 C MET A 13 4.204 5.848 -10.167 1.00 60.31 C ATOM 191 O MET A 13 3.213 5.460 -10.787 1.00 70.41 O ATOM 192 CB MET A 13 5.734 3.981 -9.435 1.00 55.02 C ATOM 193 CG MET A 13 6.968 4.535 -10.138 1.00 60.34 C ATOM 194 SD MET A 13 8.169 3.256 -10.559 1.00 12.23 S ATOM 195 CE MET A 13 7.215 2.241 -11.686 1.00 10.22 C ATOM 0 H MET A 13 3.710 3.432 -8.118 1.00 44.31 H new ATOM 0 HA MET A 13 5.266 5.755 -8.307 1.00 53.51 H new ATOM 0 HB2 MET A 13 6.053 3.393 -8.574 1.00 55.02 H new ATOM 0 HB3 MET A 13 5.218 3.300 -10.112 1.00 55.02 H new ATOM 0 HG2 MET A 13 6.661 5.051 -11.047 1.00 60.34 H new ATOM 0 HG3 MET A 13 7.444 5.276 -9.496 1.00 60.34 H new ATOM 0 HE1 MET A 13 7.845 1.934 -12.521 1.00 10.22 H new ATOM 0 HE2 MET A 13 6.852 1.357 -11.161 1.00 10.22 H new ATOM 0 HE3 MET A 13 6.367 2.813 -12.062 1.00 10.22 H new ATOM 205 N GLY A 14 4.858 6.961 -10.490 1.00 11.22 N ATOM 206 CA GLY A 14 4.376 7.837 -11.553 1.00 12.13 C ATOM 207 C GLY A 14 3.561 9.011 -11.019 1.00 75.24 C ATOM 208 O GLY A 14 3.680 10.138 -11.507 1.00 71.00 O ATOM 0 H GLY A 14 5.715 7.275 -10.035 1.00 11.22 H new ATOM 0 HA2 GLY A 14 5.226 8.217 -12.119 1.00 12.13 H new ATOM 0 HA3 GLY A 14 3.764 7.259 -12.246 1.00 12.13 H new ATOM 212 N PHE A 15 2.744 8.757 -9.997 1.00 61.13 N ATOM 213 CA PHE A 15 1.888 9.798 -9.408 1.00 35.34 C ATOM 214 C PHE A 15 2.690 10.777 -8.528 1.00 41.34 C ATOM 215 O PHE A 15 2.144 11.739 -7.991 1.00 71.43 O ATOM 216 CB PHE A 15 0.755 9.149 -8.602 1.00 21.51 C ATOM 217 CG PHE A 15 -0.103 8.219 -9.424 1.00 52.53 C ATOM 218 CD1 PHE A 15 -0.823 8.694 -10.511 1.00 21.11 C ATOM 219 CD2 PHE A 15 -0.181 6.868 -9.116 1.00 51.41 C ATOM 220 CE1 PHE A 15 -1.604 7.841 -11.268 1.00 52.25 C ATOM 221 CE2 PHE A 15 -0.959 6.013 -9.870 1.00 30.15 C ATOM 222 CZ PHE A 15 -1.671 6.499 -10.947 1.00 25.13 C ATOM 0 H PHE A 15 2.654 7.841 -9.557 1.00 61.13 H new ATOM 0 HA PHE A 15 1.461 10.380 -10.225 1.00 35.34 H new ATOM 0 HB2 PHE A 15 1.183 8.595 -7.767 1.00 21.51 H new ATOM 0 HB3 PHE A 15 0.127 9.931 -8.176 1.00 21.51 H new ATOM 0 HD1 PHE A 15 -0.773 9.742 -10.768 1.00 21.11 H new ATOM 0 HD2 PHE A 15 0.375 6.480 -8.275 1.00 51.41 H new ATOM 0 HE1 PHE A 15 -2.162 8.224 -12.110 1.00 52.25 H new ATOM 0 HE2 PHE A 15 -1.010 4.964 -9.617 1.00 30.15 H new ATOM 0 HZ PHE A 15 -2.280 5.831 -11.538 1.00 25.13 H new ATOM 232 N GLN A 16 3.992 10.523 -8.388 1.00 43.14 N ATOM 233 CA GLN A 16 4.900 11.446 -7.685 1.00 24.13 C ATOM 234 C GLN A 16 5.223 12.677 -8.547 1.00 45.31 C ATOM 235 O GLN A 16 5.759 13.668 -8.053 1.00 4.11 O ATOM 236 CB GLN A 16 6.213 10.739 -7.320 1.00 73.54 C ATOM 237 CG GLN A 16 6.950 10.160 -8.526 1.00 24.21 C ATOM 238 CD GLN A 16 8.398 9.799 -8.227 1.00 24.43 C ATOM 239 OE1 GLN A 16 8.938 8.841 -8.775 1.00 22.22 O ATOM 240 NE2 GLN A 16 9.049 10.574 -7.387 1.00 14.51 N ATOM 0 H GLN A 16 4.447 9.685 -8.751 1.00 43.14 H new ATOM 0 HA GLN A 16 4.391 11.770 -6.778 1.00 24.13 H new ATOM 0 HB2 GLN A 16 6.867 11.446 -6.810 1.00 73.54 H new ATOM 0 HB3 GLN A 16 6.000 9.936 -6.615 1.00 73.54 H new ATOM 0 HG2 GLN A 16 6.424 9.270 -8.872 1.00 24.21 H new ATOM 0 HG3 GLN A 16 6.923 10.883 -9.341 1.00 24.21 H new ATOM 0 HE21 GLN A 16 8.574 11.362 -6.947 1.00 14.51 H new ATOM 0 HE22 GLN A 16 10.029 10.387 -7.175 1.00 14.51 H new ATOM 249 N ASN A 17 4.917 12.593 -9.843 1.00 61.15 N ATOM 250 CA ASN A 17 5.195 13.689 -10.779 1.00 12.30 C ATOM 251 C ASN A 17 4.414 14.957 -10.400 1.00 12.23 C ATOM 252 O ASN A 17 4.936 16.072 -10.482 1.00 14.22 O ATOM 253 CB ASN A 17 4.843 13.251 -12.211 1.00 23.24 C ATOM 254 CG ASN A 17 5.198 14.290 -13.264 1.00 51.25 C ATOM 255 OD1 ASN A 17 4.536 14.400 -14.292 1.00 10.40 O ATOM 256 ND2 ASN A 17 6.249 15.050 -13.035 1.00 41.43 N ATOM 0 H ASN A 17 4.477 11.778 -10.270 1.00 61.15 H new ATOM 0 HA ASN A 17 6.258 13.926 -10.726 1.00 12.30 H new ATOM 0 HB2 ASN A 17 5.365 12.321 -12.438 1.00 23.24 H new ATOM 0 HB3 ASN A 17 3.775 13.038 -12.266 1.00 23.24 H new ATOM 0 HD21 ASN A 17 6.531 15.751 -13.720 1.00 41.43 H new ATOM 0 HD22 ASN A 17 6.781 14.938 -12.172 1.00 41.43 H new ATOM 263 N ASP A 18 3.165 14.777 -9.984 1.00 24.22 N ATOM 264 CA ASP A 18 2.316 15.888 -9.557 1.00 21.53 C ATOM 265 C ASP A 18 2.445 16.138 -8.037 1.00 24.35 C ATOM 266 O ASP A 18 3.475 15.820 -7.437 1.00 5.14 O ATOM 267 CB ASP A 18 0.867 15.604 -9.963 1.00 51.12 C ATOM 268 CG ASP A 18 0.354 14.298 -9.398 1.00 61.33 C ATOM 269 OD1 ASP A 18 0.519 13.251 -10.057 1.00 71.45 O ATOM 270 OD2 ASP A 18 -0.224 14.315 -8.296 1.00 4.14 O ATOM 0 H ASP A 18 2.713 13.864 -9.933 1.00 24.22 H new ATOM 0 HA ASP A 18 2.645 16.801 -10.053 1.00 21.53 H new ATOM 0 HB2 ASP A 18 0.230 16.420 -9.620 1.00 51.12 H new ATOM 0 HB3 ASP A 18 0.796 15.579 -11.050 1.00 51.12 H new ATOM 275 N ASN A 19 1.418 16.717 -7.412 1.00 50.11 N ATOM 276 CA ASN A 19 1.516 17.111 -6.001 1.00 41.24 C ATOM 277 C ASN A 19 0.434 16.446 -5.124 1.00 71.52 C ATOM 278 O ASN A 19 0.035 16.990 -4.090 1.00 51.11 O ATOM 279 CB ASN A 19 1.437 18.641 -5.895 1.00 22.23 C ATOM 280 CG ASN A 19 1.987 19.165 -4.579 1.00 52.20 C ATOM 281 OD1 ASN A 19 1.254 19.386 -3.619 1.00 44.50 O ATOM 282 ND2 ASN A 19 3.291 19.340 -4.514 1.00 33.21 N ATOM 0 H ASN A 19 0.520 16.922 -7.851 1.00 50.11 H new ATOM 0 HA ASN A 19 2.477 16.763 -5.621 1.00 41.24 H new ATOM 0 HB2 ASN A 19 1.992 19.088 -6.720 1.00 22.23 H new ATOM 0 HB3 ASN A 19 0.399 18.956 -6.002 1.00 22.23 H new ATOM 0 HD21 ASN A 19 3.719 19.668 -3.648 1.00 33.21 H new ATOM 0 HD22 ASN A 19 3.873 19.147 -5.329 1.00 33.21 H new ATOM 289 N THR A 20 -0.036 15.262 -5.520 1.00 4.11 N ATOM 290 CA THR A 20 -0.974 14.495 -4.679 1.00 20.05 C ATOM 291 C THR A 20 -0.252 13.861 -3.484 1.00 41.04 C ATOM 292 O THR A 20 0.843 13.315 -3.635 1.00 42.04 O ATOM 293 CB THR A 20 -1.703 13.365 -5.455 1.00 11.32 C ATOM 294 OG1 THR A 20 -0.756 12.520 -6.131 1.00 73.32 O ATOM 295 CG2 THR A 20 -2.703 13.934 -6.456 1.00 15.13 C ATOM 0 H THR A 20 0.209 14.813 -6.403 1.00 4.11 H new ATOM 0 HA THR A 20 -1.716 15.218 -4.341 1.00 20.05 H new ATOM 0 HB THR A 20 -2.252 12.768 -4.727 1.00 11.32 H new ATOM 0 HG1 THR A 20 -0.436 12.970 -6.941 1.00 73.32 H new ATOM 0 HG21 THR A 20 -3.196 13.117 -6.982 1.00 15.13 H new ATOM 0 HG22 THR A 20 -3.449 14.528 -5.928 1.00 15.13 H new ATOM 0 HG23 THR A 20 -2.180 14.565 -7.174 1.00 15.13 H new ATOM 303 N PRO A 21 -0.852 13.924 -2.273 1.00 2.23 N ATOM 304 CA PRO A 21 -0.282 13.287 -1.070 1.00 12.33 C ATOM 305 C PRO A 21 0.075 11.812 -1.305 1.00 70.12 C ATOM 306 O PRO A 21 1.031 11.290 -0.730 1.00 31.53 O ATOM 307 CB PRO A 21 -1.407 13.421 -0.036 1.00 54.32 C ATOM 308 CG PRO A 21 -2.165 14.631 -0.466 1.00 41.22 C ATOM 309 CD PRO A 21 -2.116 14.629 -1.973 1.00 22.24 C ATOM 0 HA PRO A 21 0.654 13.753 -0.760 1.00 12.33 H new ATOM 0 HB2 PRO A 21 -2.044 12.536 -0.025 1.00 54.32 H new ATOM 0 HB3 PRO A 21 -1.008 13.539 0.972 1.00 54.32 H new ATOM 0 HG2 PRO A 21 -3.194 14.596 -0.108 1.00 41.22 H new ATOM 0 HG3 PRO A 21 -1.717 15.538 -0.061 1.00 41.22 H new ATOM 0 HD2 PRO A 21 -2.975 14.114 -2.402 1.00 22.24 H new ATOM 0 HD3 PRO A 21 -2.117 15.642 -2.377 1.00 22.24 H new ATOM 317 N PHE A 22 -0.699 11.158 -2.170 1.00 0.32 N ATOM 318 CA PHE A 22 -0.428 9.778 -2.571 1.00 11.22 C ATOM 319 C PHE A 22 0.951 9.667 -3.246 1.00 1.13 C ATOM 320 O PHE A 22 1.783 8.839 -2.864 1.00 51.34 O ATOM 321 CB PHE A 22 -1.524 9.283 -3.529 1.00 43.21 C ATOM 322 CG PHE A 22 -2.914 9.294 -2.933 1.00 71.52 C ATOM 323 CD1 PHE A 22 -3.665 10.463 -2.902 1.00 42.41 C ATOM 324 CD2 PHE A 22 -3.470 8.135 -2.408 1.00 70.11 C ATOM 325 CE1 PHE A 22 -4.936 10.473 -2.361 1.00 3.22 C ATOM 326 CE2 PHE A 22 -4.742 8.142 -1.864 1.00 22.43 C ATOM 327 CZ PHE A 22 -5.475 9.312 -1.841 1.00 14.44 C ATOM 0 H PHE A 22 -1.525 11.565 -2.609 1.00 0.32 H new ATOM 0 HA PHE A 22 -0.425 9.154 -1.677 1.00 11.22 H new ATOM 0 HB2 PHE A 22 -1.519 9.906 -4.423 1.00 43.21 H new ATOM 0 HB3 PHE A 22 -1.284 8.268 -3.846 1.00 43.21 H new ATOM 0 HD1 PHE A 22 -3.250 11.375 -3.306 1.00 42.41 H new ATOM 0 HD2 PHE A 22 -2.902 7.216 -2.425 1.00 70.11 H new ATOM 0 HE1 PHE A 22 -5.509 11.389 -2.345 1.00 3.22 H new ATOM 0 HE2 PHE A 22 -5.161 7.233 -1.458 1.00 22.43 H new ATOM 0 HZ PHE A 22 -6.468 9.320 -1.417 1.00 14.44 H new ATOM 337 N GLY A 23 1.189 10.521 -4.242 1.00 34.24 N ATOM 338 CA GLY A 23 2.478 10.540 -4.925 1.00 72.33 C ATOM 339 C GLY A 23 3.629 10.919 -3.996 1.00 41.02 C ATOM 340 O GLY A 23 4.729 10.371 -4.094 1.00 72.12 O ATOM 0 H GLY A 23 0.513 11.201 -4.589 1.00 34.24 H new ATOM 0 HA2 GLY A 23 2.672 9.557 -5.355 1.00 72.33 H new ATOM 0 HA3 GLY A 23 2.436 11.248 -5.753 1.00 72.33 H new ATOM 344 N ILE A 24 3.371 11.858 -3.085 1.00 0.43 N ATOM 345 CA ILE A 24 4.365 12.269 -2.087 1.00 1.02 C ATOM 346 C ILE A 24 4.729 11.104 -1.146 1.00 73.12 C ATOM 347 O ILE A 24 5.894 10.921 -0.783 1.00 30.21 O ATOM 348 CB ILE A 24 3.853 13.466 -1.246 1.00 64.54 C ATOM 349 CG1 ILE A 24 3.497 14.655 -2.158 1.00 31.12 C ATOM 350 CG2 ILE A 24 4.887 13.879 -0.197 1.00 31.04 C ATOM 351 CD1 ILE A 24 4.650 15.165 -3.003 1.00 43.52 C ATOM 0 H ILE A 24 2.481 12.351 -3.016 1.00 0.43 H new ATOM 0 HA ILE A 24 5.257 12.574 -2.634 1.00 1.02 H new ATOM 0 HB ILE A 24 2.950 13.152 -0.723 1.00 64.54 H new ATOM 0 HG12 ILE A 24 2.682 14.359 -2.818 1.00 31.12 H new ATOM 0 HG13 ILE A 24 3.126 15.473 -1.540 1.00 31.12 H new ATOM 0 HG21 ILE A 24 4.504 14.721 0.380 1.00 31.04 H new ATOM 0 HG22 ILE A 24 5.083 13.040 0.471 1.00 31.04 H new ATOM 0 HG23 ILE A 24 5.812 14.171 -0.693 1.00 31.04 H new ATOM 0 HD11 ILE A 24 4.311 16.002 -3.614 1.00 43.52 H new ATOM 0 HD12 ILE A 24 5.460 15.495 -2.352 1.00 43.52 H new ATOM 0 HD13 ILE A 24 5.008 14.365 -3.650 1.00 43.52 H new ATOM 363 N LEU A 25 3.720 10.313 -0.761 1.00 73.34 N ATOM 364 CA LEU A 25 3.930 9.136 0.095 1.00 44.43 C ATOM 365 C LEU A 25 4.914 8.151 -0.564 1.00 31.04 C ATOM 366 O LEU A 25 5.777 7.581 0.109 1.00 64.03 O ATOM 367 CB LEU A 25 2.572 8.458 0.396 1.00 64.54 C ATOM 368 CG LEU A 25 2.581 7.283 1.404 1.00 72.44 C ATOM 369 CD1 LEU A 25 3.052 5.983 0.755 1.00 3.04 C ATOM 370 CD2 LEU A 25 3.440 7.618 2.621 1.00 74.20 C ATOM 0 H LEU A 25 2.748 10.466 -1.029 1.00 73.34 H new ATOM 0 HA LEU A 25 4.372 9.457 1.039 1.00 44.43 H new ATOM 0 HB2 LEU A 25 1.889 9.220 0.770 1.00 64.54 H new ATOM 0 HB3 LEU A 25 2.159 8.094 -0.545 1.00 64.54 H new ATOM 0 HG LEU A 25 1.554 7.132 1.735 1.00 72.44 H new ATOM 0 HD11 LEU A 25 3.044 5.183 1.495 1.00 3.04 H new ATOM 0 HD12 LEU A 25 2.384 5.724 -0.067 1.00 3.04 H new ATOM 0 HD13 LEU A 25 4.064 6.113 0.372 1.00 3.04 H new ATOM 0 HD21 LEU A 25 3.431 6.778 3.315 1.00 74.20 H new ATOM 0 HD22 LEU A 25 4.464 7.814 2.301 1.00 74.20 H new ATOM 0 HD23 LEU A 25 3.040 8.502 3.117 1.00 74.20 H new ATOM 382 N ALA A 26 4.785 7.971 -1.882 1.00 62.24 N ATOM 383 CA ALA A 26 5.683 7.091 -2.647 1.00 4.24 C ATOM 384 C ALA A 26 7.163 7.425 -2.387 1.00 53.32 C ATOM 385 O ALA A 26 7.978 6.538 -2.121 1.00 72.40 O ATOM 386 CB ALA A 26 5.375 7.188 -4.139 1.00 40.33 C ATOM 0 H ALA A 26 4.066 8.424 -2.446 1.00 62.24 H new ATOM 0 HA ALA A 26 5.509 6.069 -2.311 1.00 4.24 H new ATOM 0 HB1 ALA A 26 6.047 6.532 -4.693 1.00 40.33 H new ATOM 0 HB2 ALA A 26 4.343 6.885 -4.318 1.00 40.33 H new ATOM 0 HB3 ALA A 26 5.515 8.216 -4.473 1.00 40.33 H new ATOM 392 N GLU A 27 7.506 8.711 -2.452 1.00 54.01 N ATOM 393 CA GLU A 27 8.875 9.155 -2.161 1.00 32.40 C ATOM 394 C GLU A 27 9.162 9.144 -0.651 1.00 62.14 C ATOM 395 O GLU A 27 10.298 8.928 -0.230 1.00 4.42 O ATOM 396 CB GLU A 27 9.134 10.557 -2.729 1.00 15.32 C ATOM 397 CG GLU A 27 9.107 10.617 -4.253 1.00 0.43 C ATOM 398 CD GLU A 27 9.559 11.962 -4.803 1.00 51.55 C ATOM 399 OE1 GLU A 27 10.784 12.168 -4.948 1.00 10.12 O ATOM 400 OE2 GLU A 27 8.695 12.809 -5.106 1.00 63.11 O ATOM 0 H GLU A 27 6.862 9.462 -2.702 1.00 54.01 H new ATOM 0 HA GLU A 27 9.549 8.449 -2.645 1.00 32.40 H new ATOM 0 HB2 GLU A 27 8.385 11.243 -2.334 1.00 15.32 H new ATOM 0 HB3 GLU A 27 10.104 10.908 -2.378 1.00 15.32 H new ATOM 0 HG2 GLU A 27 9.749 9.833 -4.653 1.00 0.43 H new ATOM 0 HG3 GLU A 27 8.095 10.410 -4.601 1.00 0.43 H new ATOM 407 N HIS A 28 8.130 9.365 0.161 1.00 43.31 N ATOM 408 CA HIS A 28 8.292 9.387 1.619 1.00 23.11 C ATOM 409 C HIS A 28 8.731 8.011 2.148 1.00 51.42 C ATOM 410 O HIS A 28 9.558 7.923 3.052 1.00 54.51 O ATOM 411 CB HIS A 28 6.988 9.828 2.299 1.00 73.53 C ATOM 412 CG HIS A 28 7.155 10.170 3.751 1.00 41.31 C ATOM 413 ND1 HIS A 28 7.160 11.465 4.220 1.00 62.41 N ATOM 414 CD2 HIS A 28 7.326 9.382 4.839 1.00 72.24 C ATOM 415 CE1 HIS A 28 7.329 11.461 5.525 1.00 11.42 C ATOM 416 NE2 HIS A 28 7.432 10.211 5.929 1.00 41.54 N ATOM 0 H HIS A 28 7.176 9.531 -0.161 1.00 43.31 H new ATOM 0 HA HIS A 28 9.073 10.108 1.859 1.00 23.11 H new ATOM 0 HB2 HIS A 28 6.589 10.695 1.773 1.00 73.53 H new ATOM 0 HB3 HIS A 28 6.251 9.031 2.204 1.00 73.53 H new ATOM 0 HD1 HIS A 28 7.050 12.299 3.644 1.00 62.41 H new ATOM 0 HD2 HIS A 28 7.371 8.303 4.848 1.00 72.24 H new ATOM 0 HE1 HIS A 28 7.375 12.335 6.158 1.00 11.42 H new ATOM 425 N VAL A 29 8.167 6.937 1.590 1.00 21.31 N ATOM 426 CA VAL A 29 8.588 5.576 1.957 1.00 33.21 C ATOM 427 C VAL A 29 9.912 5.203 1.266 1.00 55.33 C ATOM 428 O VAL A 29 10.725 4.456 1.812 1.00 52.42 O ATOM 429 CB VAL A 29 7.499 4.519 1.620 1.00 23.52 C ATOM 430 CG1 VAL A 29 6.213 4.805 2.399 1.00 71.43 C ATOM 431 CG2 VAL A 29 7.221 4.470 0.117 1.00 42.31 C ATOM 0 H VAL A 29 7.426 6.978 0.890 1.00 21.31 H new ATOM 0 HA VAL A 29 8.737 5.573 3.037 1.00 33.21 H new ATOM 0 HB VAL A 29 7.876 3.541 1.921 1.00 23.52 H new ATOM 0 HG11 VAL A 29 5.462 4.055 2.150 1.00 71.43 H new ATOM 0 HG12 VAL A 29 6.420 4.770 3.469 1.00 71.43 H new ATOM 0 HG13 VAL A 29 5.839 5.794 2.134 1.00 71.43 H new ATOM 0 HG21 VAL A 29 6.455 3.722 -0.087 1.00 42.31 H new ATOM 0 HG22 VAL A 29 6.873 5.446 -0.221 1.00 42.31 H new ATOM 0 HG23 VAL A 29 8.136 4.207 -0.414 1.00 42.31 H new ATOM 441 N SER A 30 10.125 5.744 0.066 1.00 43.32 N ATOM 442 CA SER A 30 11.387 5.551 -0.669 1.00 62.23 C ATOM 443 C SER A 30 12.528 6.378 -0.045 1.00 62.51 C ATOM 444 O SER A 30 13.696 6.229 -0.409 1.00 3.23 O ATOM 445 CB SER A 30 11.200 5.937 -2.147 1.00 51.43 C ATOM 446 OG SER A 30 12.400 5.780 -2.887 1.00 34.03 O ATOM 0 H SER A 30 9.441 6.322 -0.423 1.00 43.32 H new ATOM 0 HA SER A 30 11.660 4.498 -0.604 1.00 62.23 H new ATOM 0 HB2 SER A 30 10.417 5.320 -2.588 1.00 51.43 H new ATOM 0 HB3 SER A 30 10.865 6.972 -2.213 1.00 51.43 H new ATOM 0 HG SER A 30 13.165 5.788 -2.275 1.00 34.03 H new ATOM 452 N GLU A 31 12.174 7.252 0.897 1.00 70.53 N ATOM 453 CA GLU A 31 13.150 8.061 1.636 1.00 74.25 C ATOM 454 C GLU A 31 13.989 7.193 2.594 1.00 14.34 C ATOM 455 O GLU A 31 15.163 7.479 2.854 1.00 20.20 O ATOM 456 CB GLU A 31 12.410 9.147 2.435 1.00 42.31 C ATOM 457 CG GLU A 31 13.323 10.049 3.258 1.00 31.13 C ATOM 458 CD GLU A 31 12.555 10.900 4.257 1.00 0.50 C ATOM 459 OE1 GLU A 31 12.071 11.987 3.878 1.00 51.12 O ATOM 460 OE2 GLU A 31 12.434 10.480 5.431 1.00 0.55 O ATOM 0 H GLU A 31 11.206 7.421 1.171 1.00 70.53 H new ATOM 0 HA GLU A 31 13.828 8.521 0.918 1.00 74.25 H new ATOM 0 HB2 GLU A 31 11.836 9.764 1.743 1.00 42.31 H new ATOM 0 HB3 GLU A 31 11.694 8.667 3.103 1.00 42.31 H new ATOM 0 HG2 GLU A 31 14.050 9.436 3.791 1.00 31.13 H new ATOM 0 HG3 GLU A 31 13.885 10.700 2.588 1.00 31.13 H new ATOM 467 N ASP A 32 13.377 6.130 3.115 1.00 72.14 N ATOM 468 CA ASP A 32 14.044 5.238 4.069 1.00 40.42 C ATOM 469 C ASP A 32 15.136 4.395 3.366 1.00 33.51 C ATOM 470 O ASP A 32 15.437 4.609 2.192 1.00 1.42 O ATOM 471 CB ASP A 32 12.996 4.339 4.746 1.00 62.25 C ATOM 472 CG ASP A 32 13.471 3.791 6.083 1.00 71.11 C ATOM 473 OD1 ASP A 32 13.323 4.498 7.104 1.00 40.32 O ATOM 474 OD2 ASP A 32 14.010 2.667 6.115 1.00 55.12 O ATOM 0 H ASP A 32 12.418 5.863 2.893 1.00 72.14 H new ATOM 0 HA ASP A 32 14.540 5.837 4.833 1.00 40.42 H new ATOM 0 HB2 ASP A 32 12.078 4.907 4.896 1.00 62.25 H new ATOM 0 HB3 ASP A 32 12.752 3.509 4.083 1.00 62.25 H new ATOM 479 N LYS A 33 15.729 3.438 4.080 1.00 14.34 N ATOM 480 CA LYS A 33 16.808 2.611 3.521 1.00 62.12 C ATOM 481 C LYS A 33 16.299 1.671 2.409 1.00 41.34 C ATOM 482 O LYS A 33 17.083 0.955 1.786 1.00 5.45 O ATOM 483 CB LYS A 33 17.494 1.811 4.640 1.00 23.35 C ATOM 484 CG LYS A 33 17.882 2.670 5.845 1.00 53.22 C ATOM 485 CD LYS A 33 18.753 1.917 6.854 1.00 63.54 C ATOM 486 CE LYS A 33 20.239 1.968 6.496 1.00 21.20 C ATOM 487 NZ LYS A 33 20.554 1.252 5.228 1.00 74.25 N ATOM 0 H LYS A 33 15.484 3.214 5.044 1.00 14.34 H new ATOM 0 HA LYS A 33 17.537 3.280 3.064 1.00 62.12 H new ATOM 0 HB2 LYS A 33 16.827 1.015 4.970 1.00 23.35 H new ATOM 0 HB3 LYS A 33 18.388 1.333 4.240 1.00 23.35 H new ATOM 0 HG2 LYS A 33 18.417 3.554 5.498 1.00 53.22 H new ATOM 0 HG3 LYS A 33 16.977 3.020 6.342 1.00 53.22 H new ATOM 0 HD2 LYS A 33 18.606 2.344 7.846 1.00 63.54 H new ATOM 0 HD3 LYS A 33 18.430 0.877 6.904 1.00 63.54 H new ATOM 0 HE2 LYS A 33 20.551 3.009 6.407 1.00 21.20 H new ATOM 0 HE3 LYS A 33 20.819 1.530 7.309 1.00 21.20 H new ATOM 0 HZ1 LYS A 33 21.561 0.992 5.217 1.00 74.25 H new ATOM 0 HZ2 LYS A 33 19.974 0.391 5.162 1.00 74.25 H new ATOM 0 HZ3 LYS A 33 20.347 1.872 4.419 1.00 74.25 H new ATOM 501 N ALA A 34 14.980 1.673 2.181 1.00 1.23 N ATOM 502 CA ALA A 34 14.359 0.958 1.050 1.00 5.30 C ATOM 503 C ALA A 34 14.436 -0.574 1.185 1.00 43.14 C ATOM 504 O ALA A 34 14.284 -1.297 0.200 1.00 12.42 O ATOM 505 CB ALA A 34 14.982 1.414 -0.272 1.00 31.21 C ATOM 0 H ALA A 34 14.311 2.168 2.771 1.00 1.23 H new ATOM 0 HA ALA A 34 13.300 1.214 1.061 1.00 5.30 H new ATOM 0 HB1 ALA A 34 14.515 0.878 -1.098 1.00 31.21 H new ATOM 0 HB2 ALA A 34 14.824 2.485 -0.398 1.00 31.21 H new ATOM 0 HB3 ALA A 34 16.051 1.204 -0.262 1.00 31.21 H new ATOM 511 N PHE A 35 14.648 -1.069 2.402 1.00 53.32 N ATOM 512 CA PHE A 35 14.690 -2.517 2.651 1.00 43.21 C ATOM 513 C PHE A 35 13.588 -2.963 3.624 1.00 51.24 C ATOM 514 O PHE A 35 13.684 -2.734 4.833 1.00 22.41 O ATOM 515 CB PHE A 35 16.068 -2.938 3.188 1.00 21.11 C ATOM 516 CG PHE A 35 17.156 -2.900 2.141 1.00 71.44 C ATOM 517 CD1 PHE A 35 17.282 -3.928 1.215 1.00 60.22 C ATOM 518 CD2 PHE A 35 18.045 -1.837 2.073 1.00 61.13 C ATOM 519 CE1 PHE A 35 18.269 -3.895 0.249 1.00 21.33 C ATOM 520 CE2 PHE A 35 19.033 -1.799 1.107 1.00 63.31 C ATOM 521 CZ PHE A 35 19.144 -2.829 0.194 1.00 13.15 C ATOM 0 H PHE A 35 14.794 -0.495 3.232 1.00 53.32 H new ATOM 0 HA PHE A 35 14.514 -3.012 1.696 1.00 43.21 H new ATOM 0 HB2 PHE A 35 16.345 -2.281 4.013 1.00 21.11 H new ATOM 0 HB3 PHE A 35 15.999 -3.947 3.593 1.00 21.11 H new ATOM 0 HD1 PHE A 35 16.599 -4.764 1.251 1.00 60.22 H new ATOM 0 HD2 PHE A 35 17.964 -1.028 2.784 1.00 61.13 H new ATOM 0 HE1 PHE A 35 18.356 -4.703 -0.463 1.00 21.33 H new ATOM 0 HE2 PHE A 35 19.717 -0.965 1.066 1.00 63.31 H new ATOM 0 HZ PHE A 35 19.915 -2.800 -0.562 1.00 13.15 H new ATOM 531 N PRO A 36 12.512 -3.593 3.107 1.00 32.45 N ATOM 532 CA PRO A 36 11.438 -4.148 3.949 1.00 44.02 C ATOM 533 C PRO A 36 11.947 -5.248 4.900 1.00 34.53 C ATOM 534 O PRO A 36 12.466 -6.278 4.458 1.00 23.51 O ATOM 535 CB PRO A 36 10.444 -4.732 2.930 1.00 31.24 C ATOM 536 CG PRO A 36 10.761 -4.045 1.642 1.00 54.42 C ATOM 537 CD PRO A 36 12.244 -3.794 1.671 1.00 32.23 C ATOM 0 HA PRO A 36 11.001 -3.391 4.600 1.00 44.02 H new ATOM 0 HB2 PRO A 36 10.560 -5.812 2.840 1.00 31.24 H new ATOM 0 HB3 PRO A 36 9.414 -4.546 3.233 1.00 31.24 H new ATOM 0 HG2 PRO A 36 10.485 -4.665 0.789 1.00 54.42 H new ATOM 0 HG3 PRO A 36 10.207 -3.111 1.549 1.00 54.42 H new ATOM 0 HD2 PRO A 36 12.805 -4.637 1.269 1.00 32.23 H new ATOM 0 HD3 PRO A 36 12.518 -2.919 1.082 1.00 32.23 H new ATOM 545 N ARG A 37 11.793 -5.029 6.205 1.00 15.02 N ATOM 546 CA ARG A 37 12.321 -5.951 7.215 1.00 64.12 C ATOM 547 C ARG A 37 11.304 -7.051 7.575 1.00 2.45 C ATOM 548 O ARG A 37 11.598 -8.243 7.458 1.00 43.53 O ATOM 549 CB ARG A 37 12.723 -5.173 8.473 1.00 53.33 C ATOM 550 CG ARG A 37 13.507 -6.010 9.479 1.00 43.53 C ATOM 551 CD ARG A 37 13.928 -5.194 10.695 1.00 71.04 C ATOM 552 NE ARG A 37 14.845 -5.943 11.550 1.00 52.23 N ATOM 553 CZ ARG A 37 15.485 -5.440 12.568 1.00 21.05 C ATOM 554 NH1 ARG A 37 15.310 -4.209 12.918 1.00 23.32 N ATOM 555 NH2 ARG A 37 16.312 -6.176 13.230 1.00 24.11 N ATOM 0 H ARG A 37 11.306 -4.220 6.590 1.00 15.02 H new ATOM 0 HA ARG A 37 13.198 -6.440 6.792 1.00 64.12 H new ATOM 0 HB2 ARG A 37 13.324 -4.312 8.182 1.00 53.33 H new ATOM 0 HB3 ARG A 37 11.825 -4.787 8.955 1.00 53.33 H new ATOM 0 HG2 ARG A 37 12.897 -6.854 9.802 1.00 43.53 H new ATOM 0 HG3 ARG A 37 14.392 -6.423 8.995 1.00 43.53 H new ATOM 0 HD2 ARG A 37 14.406 -4.271 10.367 1.00 71.04 H new ATOM 0 HD3 ARG A 37 13.045 -4.910 11.267 1.00 71.04 H new ATOM 0 HE ARG A 37 14.995 -6.929 11.335 1.00 52.23 H new ATOM 0 HH11 ARG A 37 14.664 -3.617 12.396 1.00 23.32 H new ATOM 0 HH12 ARG A 37 15.818 -3.829 13.717 1.00 23.32 H new ATOM 0 HH21 ARG A 37 16.463 -7.147 12.956 1.00 24.11 H new ATOM 0 HH22 ARG A 37 16.815 -5.787 14.027 1.00 24.11 H new ATOM 569 N LEU A 38 10.116 -6.644 8.027 1.00 30.22 N ATOM 570 CA LEU A 38 9.059 -7.592 8.418 1.00 11.10 C ATOM 571 C LEU A 38 7.811 -7.418 7.539 1.00 23.45 C ATOM 572 O LEU A 38 6.797 -8.089 7.736 1.00 62.01 O ATOM 573 CB LEU A 38 8.683 -7.384 9.894 1.00 54.25 C ATOM 574 CG LEU A 38 9.835 -7.543 10.902 1.00 64.43 C ATOM 575 CD1 LEU A 38 9.358 -7.248 12.323 1.00 14.32 C ATOM 576 CD2 LEU A 38 10.438 -8.943 10.815 1.00 21.11 C ATOM 0 H LEU A 38 9.857 -5.663 8.133 1.00 30.22 H new ATOM 0 HA LEU A 38 9.443 -8.603 8.279 1.00 11.10 H new ATOM 0 HB2 LEU A 38 8.261 -6.385 10.006 1.00 54.25 H new ATOM 0 HB3 LEU A 38 7.897 -8.093 10.153 1.00 54.25 H new ATOM 0 HG LEU A 38 10.610 -6.820 10.648 1.00 64.43 H new ATOM 0 HD11 LEU A 38 10.189 -7.367 13.018 1.00 14.32 H new ATOM 0 HD12 LEU A 38 8.984 -6.226 12.376 1.00 14.32 H new ATOM 0 HD13 LEU A 38 8.560 -7.941 12.590 1.00 14.32 H new ATOM 0 HD21 LEU A 38 11.251 -9.035 11.536 1.00 21.11 H new ATOM 0 HD22 LEU A 38 9.670 -9.684 11.038 1.00 21.11 H new ATOM 0 HD23 LEU A 38 10.824 -9.111 9.810 1.00 21.11 H new ATOM 588 N GLU A 39 7.917 -6.546 6.542 1.00 11.14 N ATOM 589 CA GLU A 39 6.775 -6.149 5.706 1.00 24.34 C ATOM 590 C GLU A 39 6.374 -7.230 4.676 1.00 33.35 C ATOM 591 O GLU A 39 5.778 -6.925 3.640 1.00 22.15 O ATOM 592 CB GLU A 39 7.091 -4.817 4.998 1.00 62.33 C ATOM 593 CG GLU A 39 7.267 -3.622 5.943 1.00 62.43 C ATOM 594 CD GLU A 39 8.511 -3.714 6.823 1.00 32.42 C ATOM 595 OE1 GLU A 39 9.592 -3.277 6.384 1.00 12.34 O ATOM 596 OE2 GLU A 39 8.418 -4.232 7.953 1.00 44.32 O ATOM 0 H GLU A 39 8.793 -6.091 6.286 1.00 11.14 H new ATOM 0 HA GLU A 39 5.917 -6.024 6.367 1.00 24.34 H new ATOM 0 HB2 GLU A 39 8.002 -4.938 4.412 1.00 62.33 H new ATOM 0 HB3 GLU A 39 6.288 -4.594 4.296 1.00 62.33 H new ATOM 0 HG2 GLU A 39 7.317 -2.707 5.352 1.00 62.43 H new ATOM 0 HG3 GLU A 39 6.387 -3.542 6.581 1.00 62.43 H new ATOM 603 N GLU A 40 6.678 -8.492 4.980 1.00 55.20 N ATOM 604 CA GLU A 40 6.251 -9.626 4.147 1.00 13.13 C ATOM 605 C GLU A 40 4.717 -9.704 4.076 1.00 61.43 C ATOM 606 O GLU A 40 4.126 -9.843 3.000 1.00 53.44 O ATOM 607 CB GLU A 40 6.796 -10.939 4.732 1.00 32.11 C ATOM 608 CG GLU A 40 6.406 -12.185 3.937 1.00 52.01 C ATOM 609 CD GLU A 40 6.712 -13.477 4.682 1.00 34.15 C ATOM 610 OE1 GLU A 40 7.901 -13.762 4.926 1.00 33.03 O ATOM 611 OE2 GLU A 40 5.760 -14.209 5.037 1.00 11.52 O ATOM 0 H GLU A 40 7.221 -8.760 5.801 1.00 55.20 H new ATOM 0 HA GLU A 40 6.645 -9.477 3.142 1.00 13.13 H new ATOM 0 HB2 GLU A 40 7.883 -10.878 4.782 1.00 32.11 H new ATOM 0 HB3 GLU A 40 6.435 -11.046 5.755 1.00 32.11 H new ATOM 0 HG2 GLU A 40 5.341 -12.146 3.708 1.00 52.01 H new ATOM 0 HG3 GLU A 40 6.937 -12.185 2.985 1.00 52.01 H new ATOM 618 N ARG A 41 4.086 -9.611 5.239 1.00 5.33 N ATOM 619 CA ARG A 41 2.631 -9.708 5.357 1.00 22.21 C ATOM 620 C ARG A 41 1.979 -8.318 5.262 1.00 3.01 C ATOM 621 O ARG A 41 2.260 -7.437 6.074 1.00 55.10 O ATOM 622 CB ARG A 41 2.279 -10.363 6.701 1.00 64.01 C ATOM 623 CG ARG A 41 2.993 -11.696 6.946 1.00 53.34 C ATOM 624 CD ARG A 41 2.476 -12.808 6.036 1.00 72.14 C ATOM 625 NE ARG A 41 1.103 -13.190 6.365 1.00 22.34 N ATOM 626 CZ ARG A 41 0.432 -14.132 5.757 1.00 61.22 C ATOM 627 NH1 ARG A 41 0.962 -14.805 4.786 1.00 32.13 N ATOM 628 NH2 ARG A 41 -0.776 -14.412 6.132 1.00 23.03 N ATOM 0 H ARG A 41 4.565 -9.466 6.128 1.00 5.33 H new ATOM 0 HA ARG A 41 2.249 -10.316 4.537 1.00 22.21 H new ATOM 0 HB2 ARG A 41 2.530 -9.674 7.507 1.00 64.01 H new ATOM 0 HB3 ARG A 41 1.202 -10.525 6.744 1.00 64.01 H new ATOM 0 HG2 ARG A 41 4.063 -11.567 6.786 1.00 53.34 H new ATOM 0 HG3 ARG A 41 2.860 -11.991 7.987 1.00 53.34 H new ATOM 0 HD2 ARG A 41 2.522 -12.478 4.998 1.00 72.14 H new ATOM 0 HD3 ARG A 41 3.126 -13.679 6.123 1.00 72.14 H new ATOM 0 HE ARG A 41 0.638 -12.687 7.120 1.00 22.34 H new ATOM 0 HH11 ARG A 41 1.916 -14.603 4.486 1.00 32.13 H new ATOM 0 HH12 ARG A 41 0.426 -15.538 4.321 1.00 32.13 H new ATOM 0 HH21 ARG A 41 -1.203 -13.897 6.902 1.00 23.03 H new ATOM 0 HH22 ARG A 41 -1.300 -15.147 5.657 1.00 23.03 H new ATOM 642 N HIS A 42 1.097 -8.124 4.279 1.00 0.22 N ATOM 643 CA HIS A 42 0.434 -6.822 4.078 1.00 20.31 C ATOM 644 C HIS A 42 -0.311 -6.344 5.339 1.00 45.30 C ATOM 645 O HIS A 42 -0.587 -5.153 5.492 1.00 73.50 O ATOM 646 CB HIS A 42 -0.526 -6.887 2.882 1.00 31.21 C ATOM 647 CG HIS A 42 0.168 -7.164 1.578 1.00 11.41 C ATOM 648 ND1 HIS A 42 -0.317 -8.043 0.636 1.00 61.33 N ATOM 649 CD2 HIS A 42 1.321 -6.671 1.066 1.00 75.10 C ATOM 650 CE1 HIS A 42 0.508 -8.082 -0.394 1.00 1.04 C ATOM 651 NE2 HIS A 42 1.511 -7.259 -0.159 1.00 12.12 N ATOM 0 H HIS A 42 0.823 -8.844 3.610 1.00 0.22 H new ATOM 0 HA HIS A 42 1.216 -6.092 3.870 1.00 20.31 H new ATOM 0 HB2 HIS A 42 -1.269 -7.664 3.063 1.00 31.21 H new ATOM 0 HB3 HIS A 42 -1.065 -5.943 2.806 1.00 31.21 H new ATOM 0 HD1 HIS A 42 -1.180 -8.581 0.721 1.00 61.33 H new ATOM 0 HD2 HIS A 42 1.971 -5.948 1.536 1.00 75.10 H new ATOM 0 HE1 HIS A 42 0.382 -8.686 -1.280 1.00 1.04 H new ATOM 660 N GLN A 43 -0.627 -7.277 6.239 1.00 71.20 N ATOM 661 CA GLN A 43 -1.255 -6.941 7.521 1.00 65.12 C ATOM 662 C GLN A 43 -0.339 -6.046 8.373 1.00 74.34 C ATOM 663 O GLN A 43 -0.728 -4.951 8.784 1.00 60.21 O ATOM 664 CB GLN A 43 -1.597 -8.220 8.298 1.00 43.23 C ATOM 665 CG GLN A 43 -2.242 -7.956 9.658 1.00 14.32 C ATOM 666 CD GLN A 43 -2.490 -9.231 10.446 1.00 4.52 C ATOM 667 OE1 GLN A 43 -1.646 -9.676 11.220 1.00 54.54 O ATOM 668 NE2 GLN A 43 -3.647 -9.828 10.259 1.00 2.10 N ATOM 0 H GLN A 43 -0.458 -8.274 6.104 1.00 71.20 H new ATOM 0 HA GLN A 43 -2.172 -6.391 7.308 1.00 65.12 H new ATOM 0 HB2 GLN A 43 -2.272 -8.830 7.698 1.00 43.23 H new ATOM 0 HB3 GLN A 43 -0.686 -8.801 8.444 1.00 43.23 H new ATOM 0 HG2 GLN A 43 -1.599 -7.294 10.238 1.00 14.32 H new ATOM 0 HG3 GLN A 43 -3.188 -7.434 9.512 1.00 14.32 H new ATOM 0 HE21 GLN A 43 -4.326 -9.432 9.609 1.00 2.10 H new ATOM 0 HE22 GLN A 43 -3.865 -10.687 10.764 1.00 2.10 H new ATOM 677 N VAL A 44 0.888 -6.515 8.623 1.00 72.44 N ATOM 678 CA VAL A 44 1.842 -5.754 9.439 1.00 5.30 C ATOM 679 C VAL A 44 2.186 -4.409 8.786 1.00 10.52 C ATOM 680 O VAL A 44 2.459 -3.433 9.475 1.00 14.55 O ATOM 681 CB VAL A 44 3.150 -6.546 9.719 1.00 53.22 C ATOM 682 CG1 VAL A 44 2.839 -7.867 10.418 1.00 41.32 C ATOM 683 CG2 VAL A 44 3.949 -6.780 8.439 1.00 42.31 C ATOM 0 H VAL A 44 1.242 -7.407 8.277 1.00 72.44 H new ATOM 0 HA VAL A 44 1.347 -5.574 10.393 1.00 5.30 H new ATOM 0 HB VAL A 44 3.769 -5.943 10.383 1.00 53.22 H new ATOM 0 HG11 VAL A 44 3.767 -8.407 10.605 1.00 41.32 H new ATOM 0 HG12 VAL A 44 2.337 -7.668 11.365 1.00 41.32 H new ATOM 0 HG13 VAL A 44 2.190 -8.471 9.783 1.00 41.32 H new ATOM 0 HG21 VAL A 44 4.857 -7.336 8.673 1.00 42.31 H new ATOM 0 HG22 VAL A 44 3.346 -7.350 7.733 1.00 42.31 H new ATOM 0 HG23 VAL A 44 4.216 -5.820 7.996 1.00 42.31 H new ATOM 693 N ILE A 45 2.159 -4.358 7.456 1.00 44.30 N ATOM 694 CA ILE A 45 2.353 -3.097 6.734 1.00 13.24 C ATOM 695 C ILE A 45 1.286 -2.070 7.149 1.00 30.22 C ATOM 696 O ILE A 45 1.605 -0.950 7.550 1.00 44.11 O ATOM 697 CB ILE A 45 2.297 -3.309 5.200 1.00 65.31 C ATOM 698 CG1 ILE A 45 3.366 -4.325 4.758 1.00 62.22 C ATOM 699 CG2 ILE A 45 2.474 -1.980 4.464 1.00 63.43 C ATOM 700 CD1 ILE A 45 3.379 -4.598 3.265 1.00 23.05 C ATOM 0 H ILE A 45 2.006 -5.169 6.857 1.00 44.30 H new ATOM 0 HA ILE A 45 3.342 -2.719 6.995 1.00 13.24 H new ATOM 0 HB ILE A 45 1.316 -3.710 4.943 1.00 65.31 H new ATOM 0 HG12 ILE A 45 4.347 -3.958 5.058 1.00 62.22 H new ATOM 0 HG13 ILE A 45 3.201 -5.264 5.287 1.00 62.22 H new ATOM 0 HG21 ILE A 45 2.432 -2.151 3.388 1.00 63.43 H new ATOM 0 HG22 ILE A 45 1.678 -1.295 4.754 1.00 63.43 H new ATOM 0 HG23 ILE A 45 3.439 -1.546 4.724 1.00 63.43 H new ATOM 0 HD11 ILE A 45 4.159 -5.323 3.035 1.00 23.05 H new ATOM 0 HD12 ILE A 45 2.411 -4.996 2.960 1.00 23.05 H new ATOM 0 HD13 ILE A 45 3.576 -3.671 2.727 1.00 23.05 H new ATOM 712 N ARG A 46 0.016 -2.475 7.071 1.00 13.42 N ATOM 713 CA ARG A 46 -1.103 -1.620 7.487 1.00 3.20 C ATOM 714 C ARG A 46 -0.967 -1.188 8.958 1.00 33.44 C ATOM 715 O ARG A 46 -1.193 -0.025 9.298 1.00 65.34 O ATOM 716 CB ARG A 46 -2.439 -2.355 7.270 1.00 2.14 C ATOM 717 CG ARG A 46 -3.651 -1.637 7.871 1.00 22.31 C ATOM 718 CD ARG A 46 -4.959 -2.370 7.579 1.00 43.13 C ATOM 719 NE ARG A 46 -5.334 -2.285 6.169 1.00 4.05 N ATOM 720 CZ ARG A 46 -6.255 -3.018 5.605 1.00 21.30 C ATOM 721 NH1 ARG A 46 -6.908 -3.907 6.286 1.00 73.31 N ATOM 722 NH2 ARG A 46 -6.537 -2.840 4.357 1.00 73.33 N ATOM 0 H ARG A 46 -0.265 -3.392 6.723 1.00 13.42 H new ATOM 0 HA ARG A 46 -1.083 -0.720 6.873 1.00 3.20 H new ATOM 0 HB2 ARG A 46 -2.601 -2.485 6.200 1.00 2.14 H new ATOM 0 HB3 ARG A 46 -2.368 -3.352 7.705 1.00 2.14 H new ATOM 0 HG2 ARG A 46 -3.520 -1.547 8.949 1.00 22.31 H new ATOM 0 HG3 ARG A 46 -3.707 -0.625 7.471 1.00 22.31 H new ATOM 0 HD2 ARG A 46 -4.859 -3.417 7.864 1.00 43.13 H new ATOM 0 HD3 ARG A 46 -5.755 -1.947 8.192 1.00 43.13 H new ATOM 0 HE ARG A 46 -4.843 -1.607 5.586 1.00 4.05 H new ATOM 0 HH11 ARG A 46 -6.705 -4.041 7.277 1.00 73.31 H new ATOM 0 HH12 ARG A 46 -7.625 -4.472 5.831 1.00 73.31 H new ATOM 0 HH21 ARG A 46 -6.041 -2.130 3.818 1.00 73.33 H new ATOM 0 HH22 ARG A 46 -7.256 -3.410 3.910 1.00 73.33 H new ATOM 736 N ALA A 47 -0.596 -2.128 9.824 1.00 73.42 N ATOM 737 CA ALA A 47 -0.420 -1.839 11.251 1.00 14.44 C ATOM 738 C ALA A 47 0.738 -0.854 11.503 1.00 74.34 C ATOM 739 O ALA A 47 0.567 0.174 12.162 1.00 33.24 O ATOM 740 CB ALA A 47 -0.189 -3.133 12.024 1.00 45.15 C ATOM 0 H ALA A 47 -0.411 -3.097 9.566 1.00 73.42 H new ATOM 0 HA ALA A 47 -1.335 -1.364 11.605 1.00 14.44 H new ATOM 0 HB1 ALA A 47 -0.060 -2.906 13.082 1.00 45.15 H new ATOM 0 HB2 ALA A 47 -1.048 -3.791 11.896 1.00 45.15 H new ATOM 0 HB3 ALA A 47 0.706 -3.627 11.647 1.00 45.15 H new ATOM 746 N TYR A 48 1.911 -1.162 10.958 1.00 53.12 N ATOM 747 CA TYR A 48 3.117 -0.364 11.208 1.00 33.43 C ATOM 748 C TYR A 48 3.043 1.048 10.604 1.00 61.04 C ATOM 749 O TYR A 48 3.592 1.989 11.179 1.00 1.32 O ATOM 750 CB TYR A 48 4.371 -1.106 10.722 1.00 42.20 C ATOM 751 CG TYR A 48 4.876 -2.133 11.721 1.00 73.12 C ATOM 752 CD1 TYR A 48 4.396 -3.440 11.727 1.00 75.45 C ATOM 753 CD2 TYR A 48 5.833 -1.786 12.668 1.00 11.50 C ATOM 754 CE1 TYR A 48 4.855 -4.364 12.648 1.00 63.42 C ATOM 755 CE2 TYR A 48 6.297 -2.705 13.587 1.00 35.11 C ATOM 756 CZ TYR A 48 5.806 -3.992 13.574 1.00 64.44 C ATOM 757 OH TYR A 48 6.266 -4.909 14.496 1.00 13.31 O ATOM 0 H TYR A 48 2.057 -1.959 10.339 1.00 53.12 H new ATOM 0 HA TYR A 48 3.183 -0.231 12.288 1.00 33.43 H new ATOM 0 HB2 TYR A 48 4.149 -1.604 9.778 1.00 42.20 H new ATOM 0 HB3 TYR A 48 5.161 -0.382 10.523 1.00 42.20 H new ATOM 0 HD1 TYR A 48 3.654 -3.737 11.001 1.00 75.45 H new ATOM 0 HD2 TYR A 48 6.221 -0.778 12.685 1.00 11.50 H new ATOM 0 HE1 TYR A 48 4.470 -5.373 12.642 1.00 63.42 H new ATOM 0 HE2 TYR A 48 7.042 -2.416 14.314 1.00 35.11 H new ATOM 0 HH TYR A 48 6.934 -4.485 15.074 1.00 13.31 H new ATOM 767 N VAL A 49 2.367 1.215 9.465 1.00 15.31 N ATOM 768 CA VAL A 49 2.196 2.560 8.892 1.00 74.44 C ATOM 769 C VAL A 49 1.307 3.431 9.797 1.00 31.51 C ATOM 770 O VAL A 49 1.561 4.623 9.967 1.00 12.51 O ATOM 771 CB VAL A 49 1.625 2.538 7.447 1.00 0.54 C ATOM 772 CG1 VAL A 49 2.581 1.807 6.507 1.00 63.22 C ATOM 773 CG2 VAL A 49 0.227 1.918 7.402 1.00 64.31 C ATOM 0 H VAL A 49 1.938 0.460 8.930 1.00 15.31 H new ATOM 0 HA VAL A 49 3.194 2.995 8.835 1.00 74.44 H new ATOM 0 HB VAL A 49 1.530 3.570 7.109 1.00 0.54 H new ATOM 0 HG11 VAL A 49 2.166 1.801 5.499 1.00 63.22 H new ATOM 0 HG12 VAL A 49 3.545 2.317 6.500 1.00 63.22 H new ATOM 0 HG13 VAL A 49 2.716 0.781 6.850 1.00 63.22 H new ATOM 0 HG21 VAL A 49 -0.139 1.920 6.375 1.00 64.31 H new ATOM 0 HG22 VAL A 49 0.272 0.893 7.769 1.00 64.31 H new ATOM 0 HG23 VAL A 49 -0.449 2.499 8.029 1.00 64.31 H new ATOM 783 N MET A 50 0.285 2.820 10.402 1.00 51.45 N ATOM 784 CA MET A 50 -0.571 3.518 11.376 1.00 11.30 C ATOM 785 C MET A 50 0.132 3.640 12.739 1.00 11.35 C ATOM 786 O MET A 50 -0.221 4.484 13.562 1.00 70.04 O ATOM 787 CB MET A 50 -1.914 2.784 11.539 1.00 1.12 C ATOM 788 CG MET A 50 -2.725 2.690 10.254 1.00 51.52 C ATOM 789 SD MET A 50 -4.341 1.920 10.502 1.00 44.13 S ATOM 790 CE MET A 50 -3.860 0.325 11.167 1.00 34.25 C ATOM 0 H MET A 50 0.027 1.847 10.238 1.00 51.45 H new ATOM 0 HA MET A 50 -0.762 4.521 10.996 1.00 11.30 H new ATOM 0 HB2 MET A 50 -1.724 1.777 11.912 1.00 1.12 H new ATOM 0 HB3 MET A 50 -2.508 3.297 12.295 1.00 1.12 H new ATOM 0 HG2 MET A 50 -2.863 3.690 9.843 1.00 51.52 H new ATOM 0 HG3 MET A 50 -2.164 2.117 9.516 1.00 51.52 H new ATOM 0 HE1 MET A 50 -4.448 -0.460 10.691 1.00 34.25 H new ATOM 0 HE2 MET A 50 -2.801 0.154 10.972 1.00 34.25 H new ATOM 0 HE3 MET A 50 -4.038 0.310 12.242 1.00 34.25 H new ATOM 800 N SER A 51 1.123 2.780 12.970 1.00 43.21 N ATOM 801 CA SER A 51 1.915 2.806 14.211 1.00 14.11 C ATOM 802 C SER A 51 2.977 3.916 14.189 1.00 42.11 C ATOM 803 O SER A 51 3.203 4.592 15.194 1.00 22.00 O ATOM 804 CB SER A 51 2.598 1.451 14.439 1.00 62.14 C ATOM 805 OG SER A 51 3.443 1.483 15.578 1.00 61.32 O ATOM 0 H SER A 51 1.402 2.051 12.314 1.00 43.21 H new ATOM 0 HA SER A 51 1.224 3.012 15.029 1.00 14.11 H new ATOM 0 HB2 SER A 51 1.841 0.677 14.567 1.00 62.14 H new ATOM 0 HB3 SER A 51 3.182 1.183 13.558 1.00 62.14 H new ATOM 0 HG SER A 51 3.863 0.606 15.699 1.00 61.32 H new ATOM 811 N ASN A 52 3.637 4.092 13.047 1.00 33.32 N ATOM 812 CA ASN A 52 4.676 5.120 12.904 1.00 2.52 C ATOM 813 C ASN A 52 4.086 6.471 12.479 1.00 42.24 C ATOM 814 O ASN A 52 4.497 7.522 12.977 1.00 24.13 O ATOM 815 CB ASN A 52 5.747 4.678 11.896 1.00 4.11 C ATOM 816 CG ASN A 52 6.608 3.544 12.421 1.00 41.43 C ATOM 817 OD1 ASN A 52 7.610 3.768 13.095 1.00 1.34 O ATOM 818 ND2 ASN A 52 6.234 2.321 12.115 1.00 11.41 N ATOM 0 H ASN A 52 3.474 3.539 12.205 1.00 33.32 H new ATOM 0 HA ASN A 52 5.138 5.246 13.883 1.00 2.52 H new ATOM 0 HB2 ASN A 52 5.263 4.364 10.971 1.00 4.11 H new ATOM 0 HB3 ASN A 52 6.383 5.529 11.650 1.00 4.11 H new ATOM 0 HD21 ASN A 52 6.782 1.524 12.439 1.00 11.41 H new ATOM 0 HD22 ASN A 52 5.396 2.169 11.553 1.00 11.41 H new ATOM 825 N TYR A 53 3.121 6.445 11.562 1.00 65.53 N ATOM 826 CA TYR A 53 2.519 7.678 11.035 1.00 73.02 C ATOM 827 C TYR A 53 1.161 7.984 11.684 1.00 53.12 C ATOM 828 O TYR A 53 0.654 7.217 12.505 1.00 23.42 O ATOM 829 CB TYR A 53 2.352 7.577 9.511 1.00 45.44 C ATOM 830 CG TYR A 53 3.660 7.395 8.763 1.00 1.32 C ATOM 831 CD1 TYR A 53 4.563 8.448 8.639 1.00 2.12 C ATOM 832 CD2 TYR A 53 3.996 6.175 8.186 1.00 41.40 C ATOM 833 CE1 TYR A 53 5.756 8.289 7.963 1.00 23.42 C ATOM 834 CE2 TYR A 53 5.188 6.010 7.508 1.00 25.21 C ATOM 835 CZ TYR A 53 6.063 7.071 7.399 1.00 60.22 C ATOM 836 OH TYR A 53 7.251 6.913 6.721 1.00 4.22 O ATOM 0 H TYR A 53 2.736 5.587 11.166 1.00 65.53 H new ATOM 0 HA TYR A 53 3.196 8.497 11.280 1.00 73.02 H new ATOM 0 HB2 TYR A 53 1.693 6.739 9.282 1.00 45.44 H new ATOM 0 HB3 TYR A 53 1.859 8.479 9.148 1.00 45.44 H new ATOM 0 HD1 TYR A 53 4.326 9.405 9.079 1.00 2.12 H new ATOM 0 HD2 TYR A 53 3.313 5.342 8.269 1.00 41.40 H new ATOM 0 HE1 TYR A 53 6.445 9.116 7.877 1.00 23.42 H new ATOM 0 HE2 TYR A 53 5.434 5.056 7.066 1.00 25.21 H new ATOM 0 HH TYR A 53 7.316 5.995 6.385 1.00 4.22 H new ATOM 846 N THR A 54 0.590 9.127 11.313 1.00 52.25 N ATOM 847 CA THR A 54 -0.729 9.555 11.804 1.00 14.34 C ATOM 848 C THR A 54 -1.562 10.202 10.687 1.00 15.03 C ATOM 849 O THR A 54 -2.786 10.049 10.639 1.00 42.33 O ATOM 850 CB THR A 54 -0.606 10.555 12.983 1.00 41.30 C ATOM 851 OG1 THR A 54 -1.882 11.153 13.267 1.00 21.15 O ATOM 852 CG2 THR A 54 0.416 11.650 12.684 1.00 71.13 C ATOM 0 H THR A 54 1.023 9.785 10.665 1.00 52.25 H new ATOM 0 HA THR A 54 -1.233 8.654 12.153 1.00 14.34 H new ATOM 0 HB THR A 54 -0.264 9.995 13.853 1.00 41.30 H new ATOM 0 HG1 THR A 54 -1.790 11.781 14.014 1.00 21.15 H new ATOM 0 HG21 THR A 54 0.476 12.333 13.532 1.00 71.13 H new ATOM 0 HG22 THR A 54 1.393 11.199 12.512 1.00 71.13 H new ATOM 0 HG23 THR A 54 0.109 12.201 11.795 1.00 71.13 H new ATOM 860 N ASP A 55 -0.887 10.916 9.785 1.00 44.51 N ATOM 861 CA ASP A 55 -1.554 11.610 8.679 1.00 61.21 C ATOM 862 C ASP A 55 -2.371 10.651 7.797 1.00 10.03 C ATOM 863 O ASP A 55 -1.824 9.737 7.172 1.00 2.11 O ATOM 864 CB ASP A 55 -0.518 12.344 7.825 1.00 15.41 C ATOM 865 CG ASP A 55 0.257 13.372 8.628 1.00 15.25 C ATOM 866 OD1 ASP A 55 1.240 12.990 9.294 1.00 62.20 O ATOM 867 OD2 ASP A 55 -0.122 14.565 8.606 1.00 32.12 O ATOM 0 H ASP A 55 0.127 11.030 9.798 1.00 44.51 H new ATOM 0 HA ASP A 55 -2.250 12.325 9.116 1.00 61.21 H new ATOM 0 HB2 ASP A 55 0.176 11.621 7.396 1.00 15.41 H new ATOM 0 HB3 ASP A 55 -1.019 12.837 6.992 1.00 15.41 H new ATOM 872 N HIS A 56 -3.683 10.887 7.736 1.00 3.50 N ATOM 873 CA HIS A 56 -4.585 10.077 6.909 1.00 63.30 C ATOM 874 C HIS A 56 -4.175 10.126 5.428 1.00 14.50 C ATOM 875 O HIS A 56 -4.350 9.156 4.697 1.00 51.42 O ATOM 876 CB HIS A 56 -6.035 10.559 7.065 1.00 25.15 C ATOM 877 CG HIS A 56 -6.578 10.412 8.458 1.00 63.44 C ATOM 878 ND1 HIS A 56 -7.323 9.325 8.862 1.00 24.12 N ATOM 879 CD2 HIS A 56 -6.488 11.222 9.547 1.00 11.04 C ATOM 880 CE1 HIS A 56 -7.663 9.466 10.126 1.00 1.20 C ATOM 881 NE2 HIS A 56 -7.171 10.605 10.566 1.00 24.15 N ATOM 0 H HIS A 56 -4.148 11.635 8.251 1.00 3.50 H new ATOM 0 HA HIS A 56 -4.513 9.045 7.252 1.00 63.30 H new ATOM 0 HB2 HIS A 56 -6.093 11.607 6.772 1.00 25.15 H new ATOM 0 HB3 HIS A 56 -6.669 10.000 6.377 1.00 25.15 H new ATOM 0 HD2 HIS A 56 -5.976 12.171 9.600 1.00 11.04 H new ATOM 0 HE1 HIS A 56 -8.247 8.765 10.704 1.00 1.20 H new ATOM 0 HE2 HIS A 56 -7.280 10.971 11.512 1.00 24.15 H new ATOM 890 N GLN A 57 -3.625 11.263 5.000 1.00 61.23 N ATOM 891 CA GLN A 57 -3.129 11.421 3.625 1.00 32.02 C ATOM 892 C GLN A 57 -2.068 10.360 3.282 1.00 14.53 C ATOM 893 O GLN A 57 -2.054 9.805 2.183 1.00 72.13 O ATOM 894 CB GLN A 57 -2.532 12.824 3.436 1.00 43.45 C ATOM 895 CG GLN A 57 -3.537 13.962 3.592 1.00 1.52 C ATOM 896 CD GLN A 57 -4.660 13.909 2.568 1.00 20.34 C ATOM 897 OE1 GLN A 57 -4.494 13.405 1.465 1.00 33.01 O ATOM 898 NE2 GLN A 57 -5.807 14.448 2.922 1.00 15.24 N ATOM 0 H GLN A 57 -3.510 12.091 5.584 1.00 61.23 H new ATOM 0 HA GLN A 57 -3.975 11.288 2.951 1.00 32.02 H new ATOM 0 HB2 GLN A 57 -1.728 12.964 4.158 1.00 43.45 H new ATOM 0 HB3 GLN A 57 -2.084 12.884 2.444 1.00 43.45 H new ATOM 0 HG2 GLN A 57 -3.965 13.927 4.594 1.00 1.52 H new ATOM 0 HG3 GLN A 57 -3.015 14.915 3.502 1.00 1.52 H new ATOM 0 HE21 GLN A 57 -5.912 14.860 3.849 1.00 15.24 H new ATOM 0 HE22 GLN A 57 -6.591 14.454 2.269 1.00 15.24 H new ATOM 907 N LEU A 58 -1.182 10.086 4.236 1.00 74.12 N ATOM 908 CA LEU A 58 -0.116 9.095 4.046 1.00 13.25 C ATOM 909 C LEU A 58 -0.643 7.665 4.248 1.00 63.31 C ATOM 910 O LEU A 58 -0.417 6.782 3.418 1.00 44.44 O ATOM 911 CB LEU A 58 1.039 9.371 5.021 1.00 65.22 C ATOM 912 CG LEU A 58 1.658 10.777 4.932 1.00 50.04 C ATOM 913 CD1 LEU A 58 2.792 10.933 5.940 1.00 22.44 C ATOM 914 CD2 LEU A 58 2.154 11.065 3.515 1.00 31.02 C ATOM 0 H LEU A 58 -1.178 10.535 5.152 1.00 74.12 H new ATOM 0 HA LEU A 58 0.247 9.181 3.022 1.00 13.25 H new ATOM 0 HB2 LEU A 58 0.678 9.215 6.038 1.00 65.22 H new ATOM 0 HB3 LEU A 58 1.824 8.635 4.845 1.00 65.22 H new ATOM 0 HG LEU A 58 0.882 11.503 5.175 1.00 50.04 H new ATOM 0 HD11 LEU A 58 3.215 11.934 5.860 1.00 22.44 H new ATOM 0 HD12 LEU A 58 2.406 10.782 6.948 1.00 22.44 H new ATOM 0 HD13 LEU A 58 3.566 10.194 5.734 1.00 22.44 H new ATOM 0 HD21 LEU A 58 2.587 12.064 3.477 1.00 31.02 H new ATOM 0 HD22 LEU A 58 2.911 10.331 3.238 1.00 31.02 H new ATOM 0 HD23 LEU A 58 1.318 11.005 2.818 1.00 31.02 H new ATOM 926 N ILE A 59 -1.361 7.456 5.352 1.00 14.23 N ATOM 927 CA ILE A 59 -1.884 6.129 5.705 1.00 3.34 C ATOM 928 C ILE A 59 -2.867 5.589 4.651 1.00 15.12 C ATOM 929 O ILE A 59 -2.797 4.415 4.274 1.00 54.54 O ATOM 930 CB ILE A 59 -2.574 6.153 7.096 1.00 21.33 C ATOM 931 CG1 ILE A 59 -1.552 6.549 8.179 1.00 74.44 C ATOM 932 CG2 ILE A 59 -3.213 4.799 7.418 1.00 1.22 C ATOM 933 CD1 ILE A 59 -2.116 6.580 9.585 1.00 40.14 C ATOM 0 H ILE A 59 -1.596 8.189 6.021 1.00 14.23 H new ATOM 0 HA ILE A 59 -1.025 5.459 5.740 1.00 3.34 H new ATOM 0 HB ILE A 59 -3.372 6.896 7.076 1.00 21.33 H new ATOM 0 HG12 ILE A 59 -0.718 5.847 8.150 1.00 74.44 H new ATOM 0 HG13 ILE A 59 -1.149 7.533 7.940 1.00 74.44 H new ATOM 0 HG21 ILE A 59 -3.689 4.845 8.398 1.00 1.22 H new ATOM 0 HG22 ILE A 59 -3.961 4.561 6.662 1.00 1.22 H new ATOM 0 HG23 ILE A 59 -2.444 4.026 7.424 1.00 1.22 H new ATOM 0 HD11 ILE A 59 -1.332 6.868 10.285 1.00 40.14 H new ATOM 0 HD12 ILE A 59 -2.930 7.303 9.635 1.00 40.14 H new ATOM 0 HD13 ILE A 59 -2.493 5.591 9.848 1.00 40.14 H new ATOM 945 N GLU A 60 -3.776 6.442 4.173 1.00 60.22 N ATOM 946 CA GLU A 60 -4.765 6.029 3.164 1.00 11.14 C ATOM 947 C GLU A 60 -4.078 5.525 1.886 1.00 74.22 C ATOM 948 O GLU A 60 -4.528 4.561 1.275 1.00 61.02 O ATOM 949 CB GLU A 60 -5.720 7.183 2.816 1.00 61.15 C ATOM 950 CG GLU A 60 -6.832 6.785 1.842 1.00 32.21 C ATOM 951 CD GLU A 60 -7.734 7.946 1.442 1.00 74.40 C ATOM 952 OE1 GLU A 60 -8.288 8.620 2.342 1.00 21.32 O ATOM 953 OE2 GLU A 60 -7.901 8.189 0.229 1.00 1.44 O ATOM 0 H GLU A 60 -3.851 7.417 4.463 1.00 60.22 H new ATOM 0 HA GLU A 60 -5.343 5.213 3.597 1.00 11.14 H new ATOM 0 HB2 GLU A 60 -6.170 7.560 3.734 1.00 61.15 H new ATOM 0 HB3 GLU A 60 -5.145 8.002 2.383 1.00 61.15 H new ATOM 0 HG2 GLU A 60 -6.383 6.358 0.945 1.00 32.21 H new ATOM 0 HG3 GLU A 60 -7.440 6.003 2.297 1.00 32.21 H new ATOM 960 N THR A 61 -2.985 6.182 1.495 1.00 44.22 N ATOM 961 CA THR A 61 -2.227 5.792 0.296 1.00 5.02 C ATOM 962 C THR A 61 -1.743 4.334 0.378 1.00 2.11 C ATOM 963 O THR A 61 -2.088 3.503 -0.467 1.00 40.20 O ATOM 964 CB THR A 61 -1.004 6.718 0.075 1.00 64.42 C ATOM 965 OG1 THR A 61 -1.429 8.088 -0.021 1.00 42.00 O ATOM 966 CG2 THR A 61 -0.242 6.336 -1.192 1.00 62.11 C ATOM 0 H THR A 61 -2.601 6.988 1.989 1.00 44.22 H new ATOM 0 HA THR A 61 -2.911 5.891 -0.547 1.00 5.02 H new ATOM 0 HB THR A 61 -0.339 6.598 0.931 1.00 64.42 H new ATOM 0 HG1 THR A 61 -2.061 8.183 -0.764 1.00 42.00 H new ATOM 0 HG21 THR A 61 0.610 7.004 -1.319 1.00 62.11 H new ATOM 0 HG22 THR A 61 0.112 5.308 -1.108 1.00 62.11 H new ATOM 0 HG23 THR A 61 -0.903 6.423 -2.054 1.00 62.11 H new ATOM 974 N THR A 62 -0.948 4.028 1.406 1.00 61.10 N ATOM 975 CA THR A 62 -0.432 2.665 1.615 1.00 61.35 C ATOM 976 C THR A 62 -1.574 1.649 1.755 1.00 5.45 C ATOM 977 O THR A 62 -1.583 0.606 1.097 1.00 24.02 O ATOM 978 CB THR A 62 0.462 2.586 2.879 1.00 4.42 C ATOM 979 OG1 THR A 62 1.534 3.537 2.787 1.00 32.02 O ATOM 980 CG2 THR A 62 1.039 1.185 3.065 1.00 43.14 C ATOM 0 H THR A 62 -0.645 4.703 2.109 1.00 61.10 H new ATOM 0 HA THR A 62 0.164 2.420 0.736 1.00 61.35 H new ATOM 0 HB THR A 62 -0.162 2.819 3.742 1.00 4.42 H new ATOM 0 HG1 THR A 62 2.092 3.480 3.591 1.00 32.02 H new ATOM 0 HG21 THR A 62 1.661 1.164 3.960 1.00 43.14 H new ATOM 0 HG22 THR A 62 0.225 0.468 3.171 1.00 43.14 H new ATOM 0 HG23 THR A 62 1.643 0.922 2.197 1.00 43.14 H new ATOM 988 N ASN A 63 -2.547 1.972 2.607 1.00 25.23 N ATOM 989 CA ASN A 63 -3.703 1.099 2.845 1.00 43.20 C ATOM 990 C ASN A 63 -4.485 0.837 1.541 1.00 72.42 C ATOM 991 O ASN A 63 -4.930 -0.283 1.278 1.00 13.42 O ATOM 992 CB ASN A 63 -4.617 1.735 3.898 1.00 30.34 C ATOM 993 CG ASN A 63 -5.778 0.841 4.286 1.00 75.20 C ATOM 994 OD1 ASN A 63 -5.676 -0.379 4.249 1.00 11.43 O ATOM 995 ND2 ASN A 63 -6.889 1.438 4.668 1.00 11.34 N ATOM 0 H ASN A 63 -2.560 2.837 3.148 1.00 25.23 H new ATOM 0 HA ASN A 63 -3.342 0.138 3.211 1.00 43.20 H new ATOM 0 HB2 ASN A 63 -4.031 1.969 4.787 1.00 30.34 H new ATOM 0 HB3 ASN A 63 -5.004 2.679 3.514 1.00 30.34 H new ATOM 0 HD21 ASN A 63 -7.698 0.882 4.945 1.00 11.34 H new ATOM 0 HD22 ASN A 63 -6.940 2.457 4.687 1.00 11.34 H new ATOM 1002 N ARG A 64 -4.633 1.886 0.731 1.00 11.21 N ATOM 1003 CA ARG A 64 -5.317 1.800 -0.566 1.00 55.24 C ATOM 1004 C ARG A 64 -4.621 0.788 -1.489 1.00 72.22 C ATOM 1005 O ARG A 64 -5.267 -0.081 -2.077 1.00 44.22 O ATOM 1006 CB ARG A 64 -5.337 3.193 -1.214 1.00 1.22 C ATOM 1007 CG ARG A 64 -6.059 3.278 -2.555 1.00 1.33 C ATOM 1008 CD ARG A 64 -6.064 4.710 -3.084 1.00 42.43 C ATOM 1009 NE ARG A 64 -6.787 4.844 -4.348 1.00 61.43 N ATOM 1010 CZ ARG A 64 -7.418 5.927 -4.715 1.00 65.14 C ATOM 1011 NH1 ARG A 64 -7.491 6.949 -3.922 1.00 5.41 N ATOM 1012 NH2 ARG A 64 -7.992 5.979 -5.872 1.00 2.30 N ATOM 0 H ARG A 64 -4.284 2.819 0.952 1.00 11.21 H new ATOM 0 HA ARG A 64 -6.339 1.454 -0.409 1.00 55.24 H new ATOM 0 HB2 ARG A 64 -5.808 3.891 -0.522 1.00 1.22 H new ATOM 0 HB3 ARG A 64 -4.308 3.526 -1.352 1.00 1.22 H new ATOM 0 HG2 ARG A 64 -5.572 2.622 -3.276 1.00 1.33 H new ATOM 0 HG3 ARG A 64 -7.084 2.924 -2.443 1.00 1.33 H new ATOM 0 HD2 ARG A 64 -6.517 5.366 -2.340 1.00 42.43 H new ATOM 0 HD3 ARG A 64 -5.036 5.046 -3.221 1.00 42.43 H new ATOM 0 HE ARG A 64 -6.799 4.044 -4.981 1.00 61.43 H new ATOM 0 HH11 ARG A 64 -7.053 6.913 -3.001 1.00 5.41 H new ATOM 0 HH12 ARG A 64 -7.986 7.790 -4.218 1.00 5.41 H new ATOM 0 HH21 ARG A 64 -7.952 5.175 -6.498 1.00 2.30 H new ATOM 0 HH22 ARG A 64 -8.485 6.825 -6.159 1.00 2.30 H new ATOM 1026 N ALA A 65 -3.298 0.904 -1.597 1.00 25.01 N ATOM 1027 CA ALA A 65 -2.500 -0.014 -2.416 1.00 64.51 C ATOM 1028 C ALA A 65 -2.653 -1.472 -1.950 1.00 24.31 C ATOM 1029 O ALA A 65 -2.832 -2.379 -2.764 1.00 23.03 O ATOM 1030 CB ALA A 65 -1.032 0.407 -2.393 1.00 32.11 C ATOM 0 H ALA A 65 -2.753 1.626 -1.127 1.00 25.01 H new ATOM 0 HA ALA A 65 -2.871 0.040 -3.440 1.00 64.51 H new ATOM 0 HB1 ALA A 65 -0.447 -0.280 -3.004 1.00 32.11 H new ATOM 0 HB2 ALA A 65 -0.937 1.417 -2.791 1.00 32.11 H new ATOM 0 HB3 ALA A 65 -0.663 0.385 -1.368 1.00 32.11 H new ATOM 1036 N ILE A 66 -2.597 -1.682 -0.633 1.00 23.01 N ATOM 1037 CA ILE A 66 -2.751 -3.020 -0.044 1.00 43.11 C ATOM 1038 C ILE A 66 -4.080 -3.679 -0.458 1.00 24.41 C ATOM 1039 O ILE A 66 -4.089 -4.749 -1.074 1.00 3.14 O ATOM 1040 CB ILE A 66 -2.680 -2.959 1.506 1.00 72.34 C ATOM 1041 CG1 ILE A 66 -1.304 -2.444 1.965 1.00 53.24 C ATOM 1042 CG2 ILE A 66 -2.978 -4.327 2.126 1.00 45.14 C ATOM 1043 CD1 ILE A 66 -1.179 -2.282 3.468 1.00 12.41 C ATOM 0 H ILE A 66 -2.446 -0.941 0.051 1.00 23.01 H new ATOM 0 HA ILE A 66 -1.927 -3.623 -0.424 1.00 43.11 H new ATOM 0 HB ILE A 66 -3.443 -2.261 1.850 1.00 72.34 H new ATOM 0 HG12 ILE A 66 -0.535 -3.134 1.618 1.00 53.24 H new ATOM 0 HG13 ILE A 66 -1.109 -1.483 1.488 1.00 53.24 H new ATOM 0 HG21 ILE A 66 -2.921 -4.254 3.212 1.00 45.14 H new ATOM 0 HG22 ILE A 66 -3.978 -4.648 1.836 1.00 45.14 H new ATOM 0 HG23 ILE A 66 -2.247 -5.054 1.772 1.00 45.14 H new ATOM 0 HD11 ILE A 66 -0.182 -1.916 3.713 1.00 12.41 H new ATOM 0 HD12 ILE A 66 -1.924 -1.569 3.820 1.00 12.41 H new ATOM 0 HD13 ILE A 66 -1.341 -3.245 3.952 1.00 12.41 H new ATOM 1055 N SER A 67 -5.193 -3.025 -0.122 1.00 61.54 N ATOM 1056 CA SER A 67 -6.531 -3.571 -0.398 1.00 3.51 C ATOM 1057 C SER A 67 -6.777 -3.788 -1.899 1.00 1.42 C ATOM 1058 O SER A 67 -7.201 -4.868 -2.315 1.00 41.44 O ATOM 1059 CB SER A 67 -7.620 -2.650 0.172 1.00 34.24 C ATOM 1060 OG SER A 67 -7.601 -2.636 1.593 1.00 65.11 O ATOM 0 H SER A 67 -5.199 -2.117 0.342 1.00 61.54 H new ATOM 0 HA SER A 67 -6.578 -4.543 0.092 1.00 3.51 H new ATOM 0 HB2 SER A 67 -7.475 -1.637 -0.205 1.00 34.24 H new ATOM 0 HB3 SER A 67 -8.598 -2.983 -0.176 1.00 34.24 H new ATOM 0 HG SER A 67 -8.305 -2.039 1.924 1.00 65.11 H new ATOM 1066 N LEU A 68 -6.505 -2.769 -2.713 1.00 2.24 N ATOM 1067 CA LEU A 68 -6.800 -2.832 -4.150 1.00 0.42 C ATOM 1068 C LEU A 68 -5.949 -3.885 -4.878 1.00 64.51 C ATOM 1069 O LEU A 68 -6.463 -4.632 -5.709 1.00 31.42 O ATOM 1070 CB LEU A 68 -6.613 -1.455 -4.798 1.00 74.34 C ATOM 1071 CG LEU A 68 -7.552 -0.354 -4.273 1.00 21.21 C ATOM 1072 CD1 LEU A 68 -7.296 0.962 -5.001 1.00 11.23 C ATOM 1073 CD2 LEU A 68 -9.018 -0.770 -4.412 1.00 12.41 C ATOM 0 H LEU A 68 -6.083 -1.892 -2.407 1.00 2.24 H new ATOM 0 HA LEU A 68 -7.842 -3.136 -4.248 1.00 0.42 H new ATOM 0 HB2 LEU A 68 -5.582 -1.135 -4.645 1.00 74.34 H new ATOM 0 HB3 LEU A 68 -6.760 -1.554 -5.874 1.00 74.34 H new ATOM 0 HG LEU A 68 -7.342 -0.209 -3.213 1.00 21.21 H new ATOM 0 HD11 LEU A 68 -7.969 1.728 -4.616 1.00 11.23 H new ATOM 0 HD12 LEU A 68 -6.264 1.272 -4.840 1.00 11.23 H new ATOM 0 HD13 LEU A 68 -7.472 0.828 -6.068 1.00 11.23 H new ATOM 0 HD21 LEU A 68 -9.659 0.026 -4.034 1.00 12.41 H new ATOM 0 HD22 LEU A 68 -9.247 -0.952 -5.462 1.00 12.41 H new ATOM 0 HD23 LEU A 68 -9.194 -1.681 -3.839 1.00 12.41 H new ATOM 1085 N TYR A 69 -4.655 -3.950 -4.561 1.00 70.44 N ATOM 1086 CA TYR A 69 -3.749 -4.905 -5.216 1.00 22.14 C ATOM 1087 C TYR A 69 -4.163 -6.360 -4.927 1.00 42.11 C ATOM 1088 O TYR A 69 -4.136 -7.214 -5.813 1.00 34.21 O ATOM 1089 CB TYR A 69 -2.302 -4.665 -4.763 1.00 22.32 C ATOM 1090 CG TYR A 69 -1.276 -5.495 -5.519 1.00 24.01 C ATOM 1091 CD1 TYR A 69 -0.860 -5.124 -6.794 1.00 42.24 C ATOM 1092 CD2 TYR A 69 -0.727 -6.648 -4.962 1.00 63.20 C ATOM 1093 CE1 TYR A 69 0.069 -5.874 -7.492 1.00 74.23 C ATOM 1094 CE2 TYR A 69 0.203 -7.402 -5.655 1.00 22.21 C ATOM 1095 CZ TYR A 69 0.596 -7.011 -6.918 1.00 12.24 C ATOM 1096 OH TYR A 69 1.522 -7.763 -7.613 1.00 22.03 O ATOM 0 H TYR A 69 -4.209 -3.358 -3.860 1.00 70.44 H new ATOM 0 HA TYR A 69 -3.816 -4.744 -6.292 1.00 22.14 H new ATOM 0 HB2 TYR A 69 -2.063 -3.609 -4.886 1.00 22.32 H new ATOM 0 HB3 TYR A 69 -2.223 -4.888 -3.699 1.00 22.32 H new ATOM 0 HD1 TYR A 69 -1.270 -4.234 -7.247 1.00 42.24 H new ATOM 0 HD2 TYR A 69 -1.032 -6.958 -3.974 1.00 63.20 H new ATOM 0 HE1 TYR A 69 0.380 -5.571 -8.481 1.00 74.23 H new ATOM 0 HE2 TYR A 69 0.620 -8.293 -5.209 1.00 22.21 H new ATOM 0 HH TYR A 69 1.795 -8.531 -7.068 1.00 22.03 H new ATOM 1106 N MET A 70 -4.557 -6.635 -3.683 1.00 1.13 N ATOM 1107 CA MET A 70 -4.979 -7.989 -3.294 1.00 34.30 C ATOM 1108 C MET A 70 -6.414 -8.299 -3.762 1.00 44.34 C ATOM 1109 O MET A 70 -6.751 -9.452 -4.034 1.00 52.35 O ATOM 1110 CB MET A 70 -4.856 -8.172 -1.776 1.00 41.25 C ATOM 1111 CG MET A 70 -3.417 -8.082 -1.278 1.00 71.32 C ATOM 1112 SD MET A 70 -3.248 -8.400 0.492 1.00 45.01 S ATOM 1113 CE MET A 70 -3.966 -10.039 0.623 1.00 52.21 C ATOM 0 H MET A 70 -4.594 -5.948 -2.930 1.00 1.13 H new ATOM 0 HA MET A 70 -4.314 -8.696 -3.790 1.00 34.30 H new ATOM 0 HB2 MET A 70 -5.456 -7.413 -1.275 1.00 41.25 H new ATOM 0 HB3 MET A 70 -5.271 -9.141 -1.498 1.00 41.25 H new ATOM 0 HG2 MET A 70 -2.805 -8.797 -1.828 1.00 71.32 H new ATOM 0 HG3 MET A 70 -3.025 -7.089 -1.500 1.00 71.32 H new ATOM 0 HE1 MET A 70 -3.627 -10.512 1.544 1.00 52.21 H new ATOM 0 HE2 MET A 70 -5.053 -9.960 0.635 1.00 52.21 H new ATOM 0 HE3 MET A 70 -3.655 -10.642 -0.230 1.00 52.21 H new ATOM 1123 N ALA A 71 -7.255 -7.270 -3.852 1.00 34.31 N ATOM 1124 CA ALA A 71 -8.610 -7.427 -4.394 1.00 20.05 C ATOM 1125 C ALA A 71 -8.572 -7.671 -5.910 1.00 62.14 C ATOM 1126 O ALA A 71 -9.388 -8.420 -6.458 1.00 62.10 O ATOM 1127 CB ALA A 71 -9.455 -6.200 -4.072 1.00 62.04 C ATOM 0 H ALA A 71 -7.026 -6.320 -3.559 1.00 34.31 H new ATOM 0 HA ALA A 71 -9.065 -8.298 -3.924 1.00 20.05 H new ATOM 0 HB1 ALA A 71 -10.457 -6.331 -4.480 1.00 62.04 H new ATOM 0 HB2 ALA A 71 -9.517 -6.074 -2.991 1.00 62.04 H new ATOM 0 HB3 ALA A 71 -8.996 -5.316 -4.514 1.00 62.04 H new ATOM 1133 N ASN A 72 -7.614 -7.030 -6.581 1.00 41.44 N ATOM 1134 CA ASN A 72 -7.418 -7.202 -8.024 1.00 64.11 C ATOM 1135 C ASN A 72 -7.141 -8.672 -8.366 1.00 13.32 C ATOM 1136 O ASN A 72 -7.690 -9.209 -9.326 1.00 15.12 O ATOM 1137 CB ASN A 72 -6.256 -6.318 -8.501 1.00 22.54 C ATOM 1138 CG ASN A 72 -6.108 -6.309 -10.012 1.00 11.03 C ATOM 1139 OD1 ASN A 72 -5.413 -7.135 -10.591 1.00 14.35 O ATOM 1140 ND2 ASN A 72 -6.759 -5.369 -10.662 1.00 71.02 N ATOM 0 H ASN A 72 -6.957 -6.382 -6.146 1.00 41.44 H new ATOM 0 HA ASN A 72 -8.332 -6.900 -8.536 1.00 64.11 H new ATOM 0 HB2 ASN A 72 -6.413 -5.298 -8.149 1.00 22.54 H new ATOM 0 HB3 ASN A 72 -5.328 -6.671 -8.051 1.00 22.54 H new ATOM 0 HD21 ASN A 72 -6.693 -5.313 -11.678 1.00 71.02 H new ATOM 0 HD22 ASN A 72 -7.329 -4.696 -10.150 1.00 71.02 H new ATOM 1147 N LEU A 73 -6.300 -9.315 -7.556 1.00 74.03 N ATOM 1148 CA LEU A 73 -5.964 -10.734 -7.734 1.00 14.23 C ATOM 1149 C LEU A 73 -7.236 -11.603 -7.761 1.00 73.10 C ATOM 1150 O LEU A 73 -7.426 -12.422 -8.667 1.00 72.12 O ATOM 1151 CB LEU A 73 -5.020 -11.181 -6.596 1.00 2.13 C ATOM 1152 CG LEU A 73 -4.252 -12.508 -6.798 1.00 44.20 C ATOM 1153 CD1 LEU A 73 -5.172 -13.726 -6.702 1.00 20.13 C ATOM 1154 CD2 LEU A 73 -3.496 -12.499 -8.128 1.00 73.55 C ATOM 0 H LEU A 73 -5.834 -8.874 -6.763 1.00 74.03 H new ATOM 0 HA LEU A 73 -5.459 -10.862 -8.691 1.00 14.23 H new ATOM 0 HB2 LEU A 73 -4.289 -10.389 -6.432 1.00 2.13 H new ATOM 0 HB3 LEU A 73 -5.608 -11.266 -5.682 1.00 2.13 H new ATOM 0 HG LEU A 73 -3.528 -12.589 -5.987 1.00 44.20 H new ATOM 0 HD11 LEU A 73 -4.589 -14.635 -6.850 1.00 20.13 H new ATOM 0 HD12 LEU A 73 -5.640 -13.752 -5.718 1.00 20.13 H new ATOM 0 HD13 LEU A 73 -5.943 -13.661 -7.469 1.00 20.13 H new ATOM 0 HD21 LEU A 73 -2.963 -13.442 -8.250 1.00 73.55 H new ATOM 0 HD22 LEU A 73 -4.203 -12.374 -8.948 1.00 73.55 H new ATOM 0 HD23 LEU A 73 -2.782 -11.675 -8.135 1.00 73.55 H new ATOM 1166 N GLU A 74 -8.107 -11.400 -6.773 1.00 12.21 N ATOM 1167 CA GLU A 74 -9.354 -12.168 -6.644 1.00 25.32 C ATOM 1168 C GLU A 74 -10.220 -12.090 -7.918 1.00 13.53 C ATOM 1169 O GLU A 74 -10.662 -13.113 -8.441 1.00 22.21 O ATOM 1170 CB GLU A 74 -10.159 -11.656 -5.441 1.00 74.22 C ATOM 1171 CG GLU A 74 -9.435 -11.785 -4.100 1.00 31.14 C ATOM 1172 CD GLU A 74 -9.236 -13.230 -3.661 1.00 44.15 C ATOM 1173 OE1 GLU A 74 -10.224 -13.861 -3.235 1.00 23.34 O ATOM 1174 OE2 GLU A 74 -8.097 -13.737 -3.732 1.00 53.33 O ATOM 0 H GLU A 74 -7.973 -10.703 -6.041 1.00 12.21 H new ATOM 0 HA GLU A 74 -9.080 -13.212 -6.494 1.00 25.32 H new ATOM 0 HB2 GLU A 74 -10.410 -10.608 -5.606 1.00 74.22 H new ATOM 0 HB3 GLU A 74 -11.099 -12.205 -5.388 1.00 74.22 H new ATOM 0 HG2 GLU A 74 -8.463 -11.297 -4.171 1.00 31.14 H new ATOM 0 HG3 GLU A 74 -10.003 -11.255 -3.335 1.00 31.14 H new ATOM 1181 N HIS A 75 -10.460 -10.870 -8.406 1.00 73.04 N ATOM 1182 CA HIS A 75 -11.280 -10.663 -9.613 1.00 5.22 C ATOM 1183 C HIS A 75 -10.542 -11.118 -10.884 1.00 30.51 C ATOM 1184 O HIS A 75 -11.140 -11.717 -11.778 1.00 61.30 O ATOM 1185 CB HIS A 75 -11.688 -9.187 -9.742 1.00 13.22 C ATOM 1186 CG HIS A 75 -12.630 -8.721 -8.668 1.00 43.15 C ATOM 1187 ND1 HIS A 75 -14.001 -8.710 -8.819 1.00 64.32 N ATOM 1188 CD2 HIS A 75 -12.391 -8.230 -7.427 1.00 33.03 C ATOM 1189 CE1 HIS A 75 -14.559 -8.233 -7.726 1.00 10.53 C ATOM 1190 NE2 HIS A 75 -13.609 -7.935 -6.868 1.00 52.50 N ATOM 0 H HIS A 75 -10.102 -10.011 -7.989 1.00 73.04 H new ATOM 0 HA HIS A 75 -12.177 -11.273 -9.507 1.00 5.22 H new ATOM 0 HB2 HIS A 75 -10.791 -8.569 -9.718 1.00 13.22 H new ATOM 0 HB3 HIS A 75 -12.156 -9.033 -10.714 1.00 13.22 H new ATOM 0 HD2 HIS A 75 -11.424 -8.096 -6.965 1.00 33.03 H new ATOM 0 HE1 HIS A 75 -15.619 -8.108 -7.562 1.00 10.53 H new ATOM 0 HE2 HIS A 75 -13.754 -7.547 -5.936 1.00 52.50 H new ATOM 1199 N HIS A 76 -9.241 -10.834 -10.952 1.00 41.51 N ATOM 1200 CA HIS A 76 -8.409 -11.224 -12.099 1.00 15.44 C ATOM 1201 C HIS A 76 -8.353 -12.752 -12.252 1.00 0.05 C ATOM 1202 O HIS A 76 -8.043 -13.270 -13.327 1.00 54.21 O ATOM 1203 CB HIS A 76 -6.992 -10.651 -11.934 1.00 41.31 C ATOM 1204 CG HIS A 76 -6.078 -10.912 -13.097 1.00 52.14 C ATOM 1205 ND1 HIS A 76 -5.207 -11.980 -13.149 1.00 70.22 N ATOM 1206 CD2 HIS A 76 -5.887 -10.223 -14.250 1.00 41.11 C ATOM 1207 CE1 HIS A 76 -4.523 -11.937 -14.274 1.00 14.21 C ATOM 1208 NE2 HIS A 76 -4.916 -10.883 -14.958 1.00 43.33 N ATOM 0 H HIS A 76 -8.735 -10.332 -10.223 1.00 41.51 H new ATOM 0 HA HIS A 76 -8.859 -10.815 -13.004 1.00 15.44 H new ATOM 0 HB2 HIS A 76 -7.064 -9.575 -11.779 1.00 41.31 H new ATOM 0 HB3 HIS A 76 -6.545 -11.073 -11.034 1.00 41.31 H new ATOM 0 HD2 HIS A 76 -6.403 -9.324 -14.553 1.00 41.11 H new ATOM 0 HE1 HIS A 76 -3.769 -12.646 -14.583 1.00 14.21 H new ATOM 0 HE2 HIS A 76 -4.555 -10.602 -15.870 1.00 43.33 H new ATOM 1217 N HIS A 77 -8.667 -13.460 -11.165 1.00 61.33 N ATOM 1218 CA HIS A 77 -8.720 -14.925 -11.160 1.00 1.44 C ATOM 1219 C HIS A 77 -9.823 -15.448 -12.101 1.00 33.41 C ATOM 1220 O HIS A 77 -9.830 -16.621 -12.475 1.00 35.21 O ATOM 1221 CB HIS A 77 -8.957 -15.422 -9.722 1.00 52.12 C ATOM 1222 CG HIS A 77 -8.810 -16.904 -9.543 1.00 50.11 C ATOM 1223 ND1 HIS A 77 -7.659 -17.492 -9.063 1.00 63.43 N ATOM 1224 CD2 HIS A 77 -9.679 -17.920 -9.762 1.00 61.42 C ATOM 1225 CE1 HIS A 77 -7.826 -18.798 -8.999 1.00 42.24 C ATOM 1226 NE2 HIS A 77 -9.041 -19.082 -9.415 1.00 50.32 N ATOM 0 H HIS A 77 -8.891 -13.036 -10.265 1.00 61.33 H new ATOM 0 HA HIS A 77 -7.768 -15.310 -11.525 1.00 1.44 H new ATOM 0 HB2 HIS A 77 -8.256 -14.917 -9.057 1.00 52.12 H new ATOM 0 HB3 HIS A 77 -9.960 -15.129 -9.411 1.00 52.12 H new ATOM 0 HD2 HIS A 77 -10.687 -17.831 -10.140 1.00 61.42 H new ATOM 0 HE1 HIS A 77 -7.090 -19.513 -8.662 1.00 42.24 H new ATOM 0 HE2 HIS A 77 -9.444 -20.017 -9.470 1.00 50.32 H new ATOM 1235 N HIS A 78 -10.755 -14.570 -12.476 1.00 74.15 N ATOM 1236 CA HIS A 78 -11.840 -14.930 -13.396 1.00 40.21 C ATOM 1237 C HIS A 78 -11.610 -14.386 -14.814 1.00 13.32 C ATOM 1238 O HIS A 78 -11.403 -13.188 -15.013 1.00 44.42 O ATOM 1239 CB HIS A 78 -13.194 -14.418 -12.868 1.00 20.00 C ATOM 1240 CG HIS A 78 -14.032 -15.475 -12.218 1.00 24.42 C ATOM 1241 ND1 HIS A 78 -14.874 -16.311 -12.927 1.00 33.14 N ATOM 1242 CD2 HIS A 78 -14.165 -15.830 -10.919 1.00 25.22 C ATOM 1243 CE1 HIS A 78 -15.485 -17.126 -12.094 1.00 70.13 C ATOM 1244 NE2 HIS A 78 -15.073 -16.857 -10.873 1.00 23.24 N ATOM 0 H HIS A 78 -10.782 -13.602 -12.157 1.00 74.15 H new ATOM 0 HA HIS A 78 -11.852 -16.019 -13.450 1.00 40.21 H new ATOM 0 HB2 HIS A 78 -13.014 -13.619 -12.149 1.00 20.00 H new ATOM 0 HB3 HIS A 78 -13.754 -13.982 -13.695 1.00 20.00 H new ATOM 0 HD2 HIS A 78 -13.653 -15.388 -10.077 1.00 25.22 H new ATOM 0 HE1 HIS A 78 -16.202 -17.886 -12.366 1.00 70.13 H new ATOM 0 HE2 HIS A 78 -15.380 -17.336 -10.027 1.00 23.24 H new