USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 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 30 SER OG : rot -54:sc= 0.943 USER MOD Set 1.2: A 33 ASN : amide:sc= -0.0596 X(o=0.88,f=0.94) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.584 K(o=-0.58,f=-1.9) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.0378 (180deg=-0.471) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 14 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 25 ASN : amide:sc=-0.00544 K(o=-0.0054,f=-0.7) USER MOD Single : A 29 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.019) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.141 K(o=-0.14,f=-5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-5.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.591 K(o=-0.59,f=-4.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= -0.0457 (180deg=-0.345) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.196) USER MOD Single : A 63 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -0.720 -0.420 2.621 1.00 0.00 N ATOM 32 CA ILE A 3 0.189 0.619 2.150 1.00 0.00 C ATOM 33 C ILE A 3 1.630 0.269 2.508 1.00 0.00 C ATOM 34 O ILE A 3 1.901 -0.264 3.584 1.00 0.00 O ATOM 35 CB ILE A 3 -0.188 1.964 2.775 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.368 3.100 1.912 1.00 0.00 C ATOM 37 CG2 ILE A 3 0.400 2.061 4.185 1.00 0.00 C ATOM 38 CD1 ILE A 3 -0.513 3.279 0.674 1.00 0.00 C ATOM 0 HA ILE A 3 0.105 0.690 1.066 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.274 2.044 2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.399 4.026 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.392 2.876 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.130 3.020 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.004 1.253 4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.486 1.979 4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.117 4.088 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.521 2.355 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.530 3.522 0.983 1.00 0.00 H new ATOM 50 N GLU A 4 2.550 0.570 1.599 1.00 0.00 N ATOM 51 CA GLU A 4 3.961 0.281 1.830 1.00 0.00 C ATOM 52 C GLU A 4 4.544 1.245 2.858 1.00 0.00 C ATOM 53 O GLU A 4 3.880 2.191 3.281 1.00 0.00 O ATOM 54 CB GLU A 4 4.740 0.397 0.518 1.00 0.00 C ATOM 55 CG GLU A 4 4.707 1.846 0.029 1.00 0.00 C ATOM 56 CD GLU A 4 5.406 1.956 -1.322 1.00 0.00 C ATOM 57 OE1 GLU A 4 5.867 0.939 -1.812 1.00 0.00 O ATOM 58 OE2 GLU A 4 5.470 3.056 -1.846 1.00 0.00 O ATOM 0 H GLU A 4 2.347 1.011 0.702 1.00 0.00 H new ATOM 0 HA GLU A 4 4.046 -0.736 2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.771 0.076 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.306 -0.261 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.675 2.186 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.197 2.495 0.755 1.00 0.00 H new ATOM 65 N SER A 5 5.787 0.999 3.255 1.00 0.00 N ATOM 66 CA SER A 5 6.448 1.853 4.235 1.00 0.00 C ATOM 67 C SER A 5 6.720 3.232 3.644 1.00 0.00 C ATOM 68 O SER A 5 6.725 3.406 2.425 1.00 0.00 O ATOM 69 CB SER A 5 7.765 1.217 4.680 1.00 0.00 C ATOM 70 OG SER A 5 8.689 1.247 3.600 1.00 0.00 O ATOM 0 H SER A 5 6.354 0.222 2.917 1.00 0.00 H new ATOM 0 HA SER A 5 5.790 1.962 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.171 1.755 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.596 0.189 5.001 1.00 0.00 H new ATOM 0 HG SER A 5 9.535 0.842 3.882 1.00 0.00 H new ATOM 76 N HIS A 6 6.943 4.210 4.515 1.00 0.00 N ATOM 77 CA HIS A 6 7.214 5.571 4.067 1.00 0.00 C ATOM 78 C HIS A 6 8.714 5.799 3.910 1.00 0.00 C ATOM 79 O HIS A 6 9.190 6.932 3.982 1.00 0.00 O ATOM 80 CB HIS A 6 6.647 6.574 5.074 1.00 0.00 C ATOM 81 CG HIS A 6 7.302 6.367 6.412 1.00 0.00 C ATOM 82 ND1 HIS A 6 8.531 6.925 6.729 1.00 0.00 N ATOM 83 CD2 HIS A 6 6.910 5.667 7.526 1.00 0.00 C ATOM 84 CE1 HIS A 6 8.832 6.555 7.987 1.00 0.00 C ATOM 85 NE2 HIS A 6 7.878 5.787 8.519 1.00 0.00 N ATOM 0 H HIS A 6 6.942 4.088 5.528 1.00 0.00 H new ATOM 0 HA HIS A 6 6.735 5.715 3.099 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.821 7.592 4.726 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.568 6.447 5.162 1.00 0.00 H new ATOM 0 HD1 HIS A 6 9.103 7.510 6.119 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.990 5.108 7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.735 6.844 8.504 1.00 0.00 H new ATOM 94 N GLN A 7 9.455 4.716 3.695 1.00 0.00 N ATOM 95 CA GLN A 7 10.900 4.814 3.530 1.00 0.00 C ATOM 96 C GLN A 7 11.243 5.375 2.154 1.00 0.00 C ATOM 97 O GLN A 7 11.424 4.625 1.194 1.00 0.00 O ATOM 98 CB GLN A 7 11.539 3.434 3.697 1.00 0.00 C ATOM 99 CG GLN A 7 13.036 3.594 3.967 1.00 0.00 C ATOM 100 CD GLN A 7 13.681 2.225 4.154 1.00 0.00 C ATOM 101 OE1 GLN A 7 13.679 1.405 3.235 1.00 0.00 O ATOM 102 NE2 GLN A 7 14.235 1.926 5.297 1.00 0.00 N ATOM 0 H GLN A 7 9.082 3.769 3.631 1.00 0.00 H new ATOM 0 HA GLN A 7 11.291 5.488 4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.065 2.899 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.383 2.838 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.510 4.118 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.190 4.203 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.236 2.606 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.667 1.012 5.431 1.00 0.00 H new ATOM 111 N VAL A 8 11.330 6.698 2.065 1.00 0.00 N ATOM 112 CA VAL A 8 11.651 7.352 0.802 1.00 0.00 C ATOM 113 C VAL A 8 12.612 8.514 1.031 1.00 0.00 C ATOM 114 O VAL A 8 12.575 9.166 2.075 1.00 0.00 O ATOM 115 CB VAL A 8 10.372 7.867 0.141 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.711 8.908 1.045 1.00 0.00 C ATOM 117 CG2 VAL A 8 10.716 8.509 -1.205 1.00 0.00 C ATOM 0 H VAL A 8 11.184 7.335 2.848 1.00 0.00 H new ATOM 0 HA VAL A 8 12.129 6.623 0.147 1.00 0.00 H new ATOM 0 HB VAL A 8 9.686 7.034 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.800 9.274 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.465 8.453 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.397 9.740 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.804 8.876 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.403 9.340 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.186 7.768 -1.852 1.00 0.00 H new ATOM 127 N GLU A 9 13.472 8.769 0.050 1.00 0.00 N ATOM 128 CA GLU A 9 14.438 9.856 0.159 1.00 0.00 C ATOM 129 C GLU A 9 14.499 10.654 -1.140 1.00 0.00 C ATOM 130 O GLU A 9 14.119 10.161 -2.202 1.00 0.00 O ATOM 131 CB GLU A 9 15.827 9.299 0.484 1.00 0.00 C ATOM 132 CG GLU A 9 15.994 7.914 -0.147 1.00 0.00 C ATOM 133 CD GLU A 9 15.674 7.975 -1.636 1.00 0.00 C ATOM 134 OE1 GLU A 9 16.245 8.816 -2.311 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.862 7.180 -2.081 1.00 0.00 O ATOM 0 H GLU A 9 13.520 8.243 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 9 14.117 10.517 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.596 9.974 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.959 9.234 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.014 7.560 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.335 7.199 0.346 1.00 0.00 H new ATOM 142 N LYS A 10 14.977 11.891 -1.045 1.00 0.00 N ATOM 143 CA LYS A 10 15.082 12.751 -2.218 1.00 0.00 C ATOM 144 C LYS A 10 16.390 13.536 -2.192 1.00 0.00 C ATOM 145 O LYS A 10 17.062 13.607 -1.163 1.00 0.00 O ATOM 146 CB LYS A 10 13.902 13.723 -2.259 1.00 0.00 C ATOM 147 CG LYS A 10 13.734 14.380 -0.888 1.00 0.00 C ATOM 148 CD LYS A 10 12.532 13.764 -0.169 1.00 0.00 C ATOM 149 CE LYS A 10 12.807 13.717 1.335 1.00 0.00 C ATOM 150 NZ LYS A 10 11.641 13.107 2.034 1.00 0.00 N ATOM 0 H LYS A 10 15.295 12.318 -0.175 1.00 0.00 H new ATOM 0 HA LYS A 10 15.067 12.123 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.071 14.484 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.990 13.193 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.637 14.241 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.591 15.454 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.636 14.352 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.344 12.759 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.708 13.136 1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.987 14.723 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.827 13.075 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.791 13.679 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.490 12.141 1.679 1.00 0.00 H new ATOM 164 N ARG A 11 16.744 14.125 -3.330 1.00 0.00 N ATOM 165 CA ARG A 11 17.973 14.905 -3.424 1.00 0.00 C ATOM 166 C ARG A 11 17.783 16.093 -4.361 1.00 0.00 C ATOM 167 O ARG A 11 16.811 16.152 -5.113 1.00 0.00 O ATOM 168 CB ARG A 11 19.143 14.033 -3.913 1.00 0.00 C ATOM 169 CG ARG A 11 18.674 13.000 -4.952 1.00 0.00 C ATOM 170 CD ARG A 11 18.241 13.706 -6.239 1.00 0.00 C ATOM 171 NE ARG A 11 16.785 13.784 -6.310 1.00 0.00 N ATOM 172 CZ ARG A 11 16.037 12.713 -6.585 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.591 11.546 -6.801 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.738 12.830 -6.640 1.00 0.00 N ATOM 0 H ARG A 11 16.202 14.078 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 11 18.211 15.275 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 11 19.914 14.667 -4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 11 19.596 13.519 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 11 19.479 12.298 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.844 12.420 -4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 11 18.668 14.708 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 11 18.626 13.167 -7.105 1.00 0.00 H new ATOM 0 HE ARG A 11 16.327 14.680 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.605 11.448 -6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.008 10.736 -7.010 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.300 13.736 -6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.161 12.015 -6.850 1.00 0.00 H new ATOM 188 N LYS A 12 18.715 17.038 -4.309 1.00 0.00 N ATOM 189 CA LYS A 12 18.636 18.221 -5.158 1.00 0.00 C ATOM 190 C LYS A 12 19.923 18.402 -5.954 1.00 0.00 C ATOM 191 O LYS A 12 21.004 18.028 -5.500 1.00 0.00 O ATOM 192 CB LYS A 12 18.385 19.464 -4.300 1.00 0.00 C ATOM 193 CG LYS A 12 19.572 19.687 -3.360 1.00 0.00 C ATOM 194 CD LYS A 12 19.312 20.921 -2.493 1.00 0.00 C ATOM 195 CE LYS A 12 20.469 21.106 -1.509 1.00 0.00 C ATOM 196 NZ LYS A 12 21.728 21.360 -2.266 1.00 0.00 N ATOM 0 H LYS A 12 19.528 17.009 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 12 17.809 18.087 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.245 20.336 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.469 19.341 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.719 18.811 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.487 19.821 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.210 21.806 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.374 20.806 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.261 21.940 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.578 20.217 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.430 21.796 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.101 20.460 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.532 22.001 -3.061 1.00 0.00 H new ATOM 210 N CYS A 13 19.797 18.980 -7.144 1.00 0.00 N ATOM 211 CA CYS A 13 20.957 19.208 -7.997 1.00 0.00 C ATOM 212 C CYS A 13 22.049 19.938 -7.221 1.00 0.00 C ATOM 213 O CYS A 13 21.931 21.130 -6.940 1.00 0.00 O ATOM 214 CB CYS A 13 20.554 20.036 -9.217 1.00 0.00 C ATOM 215 SG CYS A 13 21.872 19.963 -10.455 1.00 0.00 S ATOM 0 H CYS A 13 18.911 19.297 -7.537 1.00 0.00 H new ATOM 0 HA CYS A 13 21.341 18.243 -8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.623 19.655 -9.638 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.372 21.070 -8.924 1.00 0.00 H new ATOM 0 HG CYS A 13 21.530 20.665 -11.495 1.00 0.00 H new ATOM 220 N ASN A 14 23.107 19.212 -6.873 1.00 0.00 N ATOM 221 CA ASN A 14 24.211 19.801 -6.123 1.00 0.00 C ATOM 222 C ASN A 14 25.523 19.677 -6.893 1.00 0.00 C ATOM 223 O ASN A 14 26.601 19.682 -6.299 1.00 0.00 O ATOM 224 CB ASN A 14 24.345 19.107 -4.766 1.00 0.00 C ATOM 225 CG ASN A 14 24.510 17.603 -4.962 1.00 0.00 C ATOM 226 OD1 ASN A 14 25.294 17.168 -5.806 1.00 0.00 O ATOM 227 ND2 ASN A 14 23.812 16.779 -4.229 1.00 0.00 N ATOM 0 H ASN A 14 23.223 18.223 -7.096 1.00 0.00 H new ATOM 0 HA ASN A 14 23.996 20.859 -5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 14 25.203 19.508 -4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.464 19.308 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 14 23.915 15.772 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 14 23.163 17.142 -3.531 1.00 0.00 H new ATOM 234 N THR A 15 25.428 19.566 -8.215 1.00 0.00 N ATOM 235 CA THR A 15 26.623 19.443 -9.044 1.00 0.00 C ATOM 236 C THR A 15 27.064 20.811 -9.559 1.00 0.00 C ATOM 237 O THR A 15 26.355 21.805 -9.399 1.00 0.00 O ATOM 238 CB THR A 15 26.353 18.506 -10.227 1.00 0.00 C ATOM 239 OG1 THR A 15 27.492 18.478 -11.076 1.00 0.00 O ATOM 240 CG2 THR A 15 25.139 18.998 -11.017 1.00 0.00 C ATOM 0 H THR A 15 24.548 19.559 -8.730 1.00 0.00 H new ATOM 0 HA THR A 15 27.422 19.025 -8.432 1.00 0.00 H new ATOM 0 HB THR A 15 26.151 17.503 -9.851 1.00 0.00 H new ATOM 0 HG1 THR A 15 27.322 17.878 -11.832 1.00 0.00 H new ATOM 0 HG21 THR A 15 24.954 18.327 -11.856 1.00 0.00 H new ATOM 0 HG22 THR A 15 24.264 19.016 -10.367 1.00 0.00 H new ATOM 0 HG23 THR A 15 25.332 20.003 -11.392 1.00 0.00 H new ATOM 306 N GLN A 21 24.238 27.619 -13.460 1.00 0.00 N ATOM 307 CA GLN A 21 22.872 28.089 -13.661 1.00 0.00 C ATOM 308 C GLN A 21 22.530 29.198 -12.669 1.00 0.00 C ATOM 309 O GLN A 21 21.715 30.073 -12.964 1.00 0.00 O ATOM 310 CB GLN A 21 21.888 26.918 -13.517 1.00 0.00 C ATOM 311 CG GLN A 21 21.069 27.055 -12.227 1.00 0.00 C ATOM 312 CD GLN A 21 20.234 25.798 -12.009 1.00 0.00 C ATOM 313 OE1 GLN A 21 19.525 25.358 -12.914 1.00 0.00 O ATOM 314 NE2 GLN A 21 20.275 25.191 -10.855 1.00 0.00 N ATOM 0 HA GLN A 21 22.790 28.498 -14.668 1.00 0.00 H new ATOM 0 HB2 GLN A 21 21.219 26.890 -14.377 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.435 25.975 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 21 21.734 27.212 -11.378 1.00 0.00 H new ATOM 0 HG3 GLN A 21 20.419 27.928 -12.289 1.00 0.00 H new ATOM 0 HE21 GLN A 21 20.863 25.557 -10.107 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.719 24.350 -10.701 1.00 0.00 H new ATOM 323 N ARG A 22 23.154 29.162 -11.493 1.00 0.00 N ATOM 324 CA ARG A 22 22.894 30.178 -10.480 1.00 0.00 C ATOM 325 C ARG A 22 23.555 31.498 -10.869 1.00 0.00 C ATOM 326 O ARG A 22 23.118 32.570 -10.448 1.00 0.00 O ATOM 327 CB ARG A 22 23.382 29.695 -9.099 1.00 0.00 C ATOM 328 CG ARG A 22 24.819 30.158 -8.809 1.00 0.00 C ATOM 329 CD ARG A 22 24.791 31.514 -8.098 1.00 0.00 C ATOM 330 NE ARG A 22 25.272 31.375 -6.726 1.00 0.00 N ATOM 331 CZ ARG A 22 26.574 31.324 -6.438 1.00 0.00 C ATOM 332 NH1 ARG A 22 27.475 31.395 -7.386 1.00 0.00 N ATOM 333 NH2 ARG A 22 26.955 31.201 -5.196 1.00 0.00 N ATOM 0 H ARG A 22 23.833 28.451 -11.222 1.00 0.00 H new ATOM 0 HA ARG A 22 21.819 30.346 -10.417 1.00 0.00 H new ATOM 0 HB2 ARG A 22 22.715 30.073 -8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 22 23.335 28.607 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.330 29.422 -8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.381 30.236 -9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 22 25.412 32.229 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 22 23.776 31.911 -8.097 1.00 0.00 H new ATOM 0 HE ARG A 22 24.594 31.315 -5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 22 27.185 31.491 -8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 22 28.467 31.355 -7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.259 31.144 -4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 22 27.949 31.161 -4.969 1.00 0.00 H new ATOM 347 N LEU A 23 24.607 31.413 -11.679 1.00 0.00 N ATOM 348 CA LEU A 23 25.316 32.607 -12.124 1.00 0.00 C ATOM 349 C LEU A 23 24.425 33.438 -13.043 1.00 0.00 C ATOM 350 O LEU A 23 24.451 34.668 -13.004 1.00 0.00 O ATOM 351 CB LEU A 23 26.596 32.210 -12.866 1.00 0.00 C ATOM 352 CG LEU A 23 27.365 33.464 -13.293 1.00 0.00 C ATOM 353 CD1 LEU A 23 27.854 34.218 -12.054 1.00 0.00 C ATOM 354 CD2 LEU A 23 28.568 33.055 -14.146 1.00 0.00 C ATOM 0 H LEU A 23 24.984 30.536 -12.038 1.00 0.00 H new ATOM 0 HA LEU A 23 25.578 33.204 -11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.222 31.591 -12.223 1.00 0.00 H new ATOM 0 HB3 LEU A 23 26.347 31.610 -13.742 1.00 0.00 H new ATOM 0 HG LEU A 23 26.707 34.111 -13.872 1.00 0.00 H new ATOM 0 HD11 LEU A 23 28.400 35.109 -12.363 1.00 0.00 H new ATOM 0 HD12 LEU A 23 26.999 34.510 -11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 23 28.512 33.573 -11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 23 29.117 33.946 -14.451 1.00 0.00 H new ATOM 0 HD22 LEU A 23 29.223 32.407 -13.564 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.222 32.521 -15.031 1.00 0.00 H new ATOM 366 N ALA A 24 23.636 32.756 -13.867 1.00 0.00 N ATOM 367 CA ALA A 24 22.736 33.439 -14.789 1.00 0.00 C ATOM 368 C ALA A 24 21.685 34.230 -14.017 1.00 0.00 C ATOM 369 O ALA A 24 21.325 35.343 -14.399 1.00 0.00 O ATOM 370 CB ALA A 24 22.046 32.421 -15.698 1.00 0.00 C ATOM 0 H ALA A 24 23.601 31.738 -13.915 1.00 0.00 H new ATOM 0 HA ALA A 24 23.322 34.128 -15.398 1.00 0.00 H new ATOM 0 HB1 ALA A 24 21.376 32.940 -16.383 1.00 0.00 H new ATOM 0 HB2 ALA A 24 22.797 31.875 -16.269 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.473 31.721 -15.091 1.00 0.00 H new ATOM 376 N ASN A 25 21.202 33.647 -12.925 1.00 0.00 N ATOM 377 CA ASN A 25 20.197 34.303 -12.098 1.00 0.00 C ATOM 378 C ASN A 25 20.776 35.553 -11.445 1.00 0.00 C ATOM 379 O ASN A 25 20.072 36.543 -11.246 1.00 0.00 O ATOM 380 CB ASN A 25 19.707 33.341 -11.015 1.00 0.00 C ATOM 381 CG ASN A 25 18.888 32.220 -11.645 1.00 0.00 C ATOM 382 OD1 ASN A 25 19.279 31.054 -11.584 1.00 0.00 O ATOM 383 ND2 ASN A 25 17.768 32.504 -12.252 1.00 0.00 N ATOM 0 H ASN A 25 21.489 32.726 -12.594 1.00 0.00 H new ATOM 0 HA ASN A 25 19.360 34.593 -12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 25 20.558 32.923 -10.477 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.102 33.879 -10.286 1.00 0.00 H new ATOM 0 HD21 ASN A 25 17.215 31.759 -12.677 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.446 33.470 -12.302 1.00 0.00 H new ATOM 390 N PHE A 26 22.060 35.498 -11.109 1.00 0.00 N ATOM 391 CA PHE A 26 22.726 36.630 -10.474 1.00 0.00 C ATOM 392 C PHE A 26 22.830 37.813 -11.435 1.00 0.00 C ATOM 393 O PHE A 26 22.678 38.965 -11.031 1.00 0.00 O ATOM 394 CB PHE A 26 24.127 36.220 -10.013 1.00 0.00 C ATOM 395 CG PHE A 26 24.794 37.389 -9.328 1.00 0.00 C ATOM 396 CD1 PHE A 26 24.494 37.682 -7.993 1.00 0.00 C ATOM 397 CD2 PHE A 26 25.713 38.179 -10.029 1.00 0.00 C ATOM 398 CE1 PHE A 26 25.114 38.766 -7.358 1.00 0.00 C ATOM 399 CE2 PHE A 26 26.332 39.262 -9.395 1.00 0.00 C ATOM 400 CZ PHE A 26 26.033 39.556 -8.059 1.00 0.00 C ATOM 0 H PHE A 26 22.658 34.687 -11.264 1.00 0.00 H new ATOM 0 HA PHE A 26 22.131 36.934 -9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.063 35.373 -9.330 1.00 0.00 H new ATOM 0 HB3 PHE A 26 24.722 35.897 -10.867 1.00 0.00 H new ATOM 0 HD1 PHE A 26 23.785 37.073 -7.452 1.00 0.00 H new ATOM 0 HD2 PHE A 26 25.944 37.952 -11.059 1.00 0.00 H new ATOM 0 HE1 PHE A 26 24.883 38.992 -6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 26 27.041 39.871 -9.936 1.00 0.00 H new ATOM 0 HZ PHE A 26 26.511 40.392 -7.570 1.00 0.00 H new ATOM 410 N LEU A 27 23.097 37.522 -12.705 1.00 0.00 N ATOM 411 CA LEU A 27 23.227 38.575 -13.708 1.00 0.00 C ATOM 412 C LEU A 27 21.916 39.348 -13.831 1.00 0.00 C ATOM 413 O LEU A 27 21.915 40.574 -13.926 1.00 0.00 O ATOM 414 CB LEU A 27 23.624 37.945 -15.059 1.00 0.00 C ATOM 415 CG LEU A 27 23.840 38.997 -16.174 1.00 0.00 C ATOM 416 CD1 LEU A 27 22.497 39.403 -16.803 1.00 0.00 C ATOM 417 CD2 LEU A 27 24.558 40.240 -15.628 1.00 0.00 C ATOM 0 H LEU A 27 23.227 36.575 -13.062 1.00 0.00 H new ATOM 0 HA LEU A 27 24.004 39.277 -13.405 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.539 37.367 -14.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 22.847 37.247 -15.371 1.00 0.00 H new ATOM 0 HG LEU A 27 24.468 38.544 -16.941 1.00 0.00 H new ATOM 0 HD11 LEU A 27 22.670 40.143 -17.584 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.017 38.525 -17.235 1.00 0.00 H new ATOM 0 HD13 LEU A 27 21.850 39.830 -16.036 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.697 40.963 -16.432 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.958 40.689 -14.837 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.530 39.952 -15.227 1.00 0.00 H new ATOM 429 N VAL A 28 20.799 38.628 -13.815 1.00 0.00 N ATOM 430 CA VAL A 28 19.492 39.269 -13.914 1.00 0.00 C ATOM 431 C VAL A 28 19.058 39.804 -12.551 1.00 0.00 C ATOM 432 O VAL A 28 18.324 40.789 -12.468 1.00 0.00 O ATOM 433 CB VAL A 28 18.450 38.280 -14.443 1.00 0.00 C ATOM 434 CG1 VAL A 28 18.895 37.751 -15.808 1.00 0.00 C ATOM 435 CG2 VAL A 28 18.306 37.109 -13.468 1.00 0.00 C ATOM 0 H VAL A 28 20.771 37.611 -13.735 1.00 0.00 H new ATOM 0 HA VAL A 28 19.570 40.103 -14.612 1.00 0.00 H new ATOM 0 HB VAL A 28 17.491 38.788 -14.542 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.153 37.047 -16.185 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.993 38.582 -16.506 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.856 37.246 -15.707 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.563 36.408 -13.849 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.265 36.601 -13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.987 37.483 -12.495 1.00 0.00 H new ATOM 445 N HIS A 29 19.520 39.157 -11.488 1.00 0.00 N ATOM 446 CA HIS A 29 19.176 39.588 -10.137 1.00 0.00 C ATOM 447 C HIS A 29 19.877 40.901 -9.801 1.00 0.00 C ATOM 448 O HIS A 29 19.394 41.680 -8.979 1.00 0.00 O ATOM 449 CB HIS A 29 19.582 38.515 -9.126 1.00 0.00 C ATOM 450 CG HIS A 29 19.188 38.955 -7.743 1.00 0.00 C ATOM 451 ND1 HIS A 29 17.865 38.996 -7.330 1.00 0.00 N ATOM 452 CD2 HIS A 29 19.930 39.377 -6.668 1.00 0.00 C ATOM 453 CE1 HIS A 29 17.852 39.429 -6.055 1.00 0.00 C ATOM 454 NE2 HIS A 29 19.084 39.675 -5.603 1.00 0.00 N ATOM 0 H HIS A 29 20.128 38.339 -11.533 1.00 0.00 H new ATOM 0 HA HIS A 29 18.098 39.741 -10.087 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.099 37.569 -9.370 1.00 0.00 H new ATOM 0 HB3 HIS A 29 20.658 38.345 -9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 29 21.006 39.465 -6.651 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.954 39.561 -5.469 1.00 0.00 H new ATOM 0 HE2 HIS A 29 19.349 40.009 -4.676 1.00 0.00 H new ATOM 463 N SER A 30 21.016 41.138 -10.448 1.00 0.00 N ATOM 464 CA SER A 30 21.772 42.365 -10.212 1.00 0.00 C ATOM 465 C SER A 30 21.888 43.196 -11.490 1.00 0.00 C ATOM 466 O SER A 30 22.738 44.081 -11.586 1.00 0.00 O ATOM 467 CB SER A 30 23.167 42.032 -9.683 1.00 0.00 C ATOM 468 OG SER A 30 23.850 43.238 -9.366 1.00 0.00 O ATOM 0 H SER A 30 21.432 40.505 -11.132 1.00 0.00 H new ATOM 0 HA SER A 30 21.234 42.953 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 30 23.092 41.400 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 30 23.727 41.469 -10.430 1.00 0.00 H new ATOM 0 HG SER A 30 23.841 43.833 -10.144 1.00 0.00 H new ATOM 474 N SER A 31 21.033 42.909 -12.468 1.00 0.00 N ATOM 475 CA SER A 31 21.059 43.642 -13.730 1.00 0.00 C ATOM 476 C SER A 31 20.676 45.101 -13.515 1.00 0.00 C ATOM 477 O SER A 31 21.256 46.000 -14.124 1.00 0.00 O ATOM 478 CB SER A 31 20.096 43.003 -14.731 1.00 0.00 C ATOM 479 OG SER A 31 20.110 43.753 -15.939 1.00 0.00 O ATOM 0 H SER A 31 20.320 42.181 -12.412 1.00 0.00 H new ATOM 0 HA SER A 31 22.074 43.600 -14.126 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.388 41.971 -14.926 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.088 42.976 -14.317 1.00 0.00 H new ATOM 0 HG SER A 31 19.495 43.346 -16.584 1.00 0.00 H new ATOM 485 N ASN A 32 19.696 45.333 -12.649 1.00 0.00 N ATOM 486 CA ASN A 32 19.246 46.691 -12.367 1.00 0.00 C ATOM 487 C ASN A 32 20.375 47.516 -11.762 1.00 0.00 C ATOM 488 O ASN A 32 20.499 48.711 -12.033 1.00 0.00 O ATOM 489 CB ASN A 32 18.064 46.656 -11.398 1.00 0.00 C ATOM 490 CG ASN A 32 18.456 45.918 -10.123 1.00 0.00 C ATOM 491 OD1 ASN A 32 18.897 44.770 -10.180 1.00 0.00 O ATOM 492 ND2 ASN A 32 18.323 46.512 -8.969 1.00 0.00 N ATOM 0 H ASN A 32 19.201 44.605 -12.134 1.00 0.00 H new ATOM 0 HA ASN A 32 18.937 47.153 -13.304 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.750 47.672 -11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.213 46.162 -11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.585 46.025 -8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.957 47.463 -8.924 1.00 0.00 H new ATOM 499 N ASN A 33 21.197 46.871 -10.943 1.00 0.00 N ATOM 500 CA ASN A 33 22.313 47.561 -10.311 1.00 0.00 C ATOM 501 C ASN A 33 23.380 47.885 -11.350 1.00 0.00 C ATOM 502 O ASN A 33 23.987 48.954 -11.324 1.00 0.00 O ATOM 503 CB ASN A 33 22.914 46.694 -9.203 1.00 0.00 C ATOM 504 CG ASN A 33 21.933 46.582 -8.040 1.00 0.00 C ATOM 505 OD1 ASN A 33 21.532 45.479 -7.669 1.00 0.00 O ATOM 506 ND2 ASN A 33 21.521 47.666 -7.441 1.00 0.00 N ATOM 0 H ASN A 33 21.113 45.883 -10.703 1.00 0.00 H new ATOM 0 HA ASN A 33 21.947 48.489 -9.872 1.00 0.00 H new ATOM 0 HB2 ASN A 33 23.146 45.702 -9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 33 23.852 47.129 -8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 33 20.865 47.601 -6.663 1.00 0.00 H new ATOM 0 HD22 ASN A 33 21.855 48.578 -7.751 1.00 0.00 H new ATOM 513 N PHE A 34 23.600 46.940 -12.259 1.00 0.00 N ATOM 514 CA PHE A 34 24.598 47.112 -13.310 1.00 0.00 C ATOM 515 C PHE A 34 24.436 48.473 -13.981 1.00 0.00 C ATOM 516 O PHE A 34 25.419 49.155 -14.268 1.00 0.00 O ATOM 517 CB PHE A 34 24.461 46.003 -14.355 1.00 0.00 C ATOM 518 CG PHE A 34 25.514 46.182 -15.421 1.00 0.00 C ATOM 519 CD1 PHE A 34 26.839 45.809 -15.166 1.00 0.00 C ATOM 520 CD2 PHE A 34 25.166 46.723 -16.665 1.00 0.00 C ATOM 521 CE1 PHE A 34 27.816 45.975 -16.155 1.00 0.00 C ATOM 522 CE2 PHE A 34 26.144 46.889 -17.654 1.00 0.00 C ATOM 523 CZ PHE A 34 27.468 46.516 -17.399 1.00 0.00 C ATOM 0 H PHE A 34 23.103 46.050 -12.289 1.00 0.00 H new ATOM 0 HA PHE A 34 25.588 47.057 -12.857 1.00 0.00 H new ATOM 0 HB2 PHE A 34 24.570 45.027 -13.882 1.00 0.00 H new ATOM 0 HB3 PHE A 34 23.467 46.031 -14.802 1.00 0.00 H new ATOM 0 HD1 PHE A 34 27.108 45.393 -14.206 1.00 0.00 H new ATOM 0 HD2 PHE A 34 24.144 47.012 -16.862 1.00 0.00 H new ATOM 0 HE1 PHE A 34 28.838 45.686 -15.959 1.00 0.00 H new ATOM 0 HE2 PHE A 34 25.876 47.305 -18.614 1.00 0.00 H new ATOM 0 HZ PHE A 34 28.222 46.645 -18.162 1.00 0.00 H new ATOM 533 N GLY A 35 23.189 48.866 -14.217 1.00 0.00 N ATOM 534 CA GLY A 35 22.912 50.155 -14.841 1.00 0.00 C ATOM 535 C GLY A 35 23.422 51.295 -13.966 1.00 0.00 C ATOM 536 O GLY A 35 24.131 52.182 -14.441 1.00 0.00 O ATOM 0 H GLY A 35 22.361 48.316 -13.988 1.00 0.00 H new ATOM 0 HA2 GLY A 35 23.387 50.201 -15.821 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.839 50.264 -15.002 1.00 0.00 H new ATOM 540 N ALA A 36 23.055 51.269 -12.689 1.00 0.00 N ATOM 541 CA ALA A 36 23.483 52.313 -11.764 1.00 0.00 C ATOM 542 C ALA A 36 25.006 52.363 -11.682 1.00 0.00 C ATOM 543 O ALA A 36 25.598 53.437 -11.571 1.00 0.00 O ATOM 544 CB ALA A 36 22.903 52.049 -10.373 1.00 0.00 C ATOM 0 H ALA A 36 22.469 50.545 -12.274 1.00 0.00 H new ATOM 0 HA ALA A 36 23.118 53.272 -12.133 1.00 0.00 H new ATOM 0 HB1 ALA A 36 23.227 52.833 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 36 21.814 52.043 -10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 36 23.253 51.083 -10.010 1.00 0.00 H new ATOM 550 N ILE A 37 25.633 51.193 -11.739 1.00 0.00 N ATOM 551 CA ILE A 37 27.088 51.106 -11.673 1.00 0.00 C ATOM 552 C ILE A 37 27.725 51.839 -12.848 1.00 0.00 C ATOM 553 O ILE A 37 28.755 52.497 -12.700 1.00 0.00 O ATOM 554 CB ILE A 37 27.525 49.639 -11.690 1.00 0.00 C ATOM 555 CG1 ILE A 37 27.193 48.993 -10.340 1.00 0.00 C ATOM 556 CG2 ILE A 37 29.033 49.558 -11.936 1.00 0.00 C ATOM 557 CD1 ILE A 37 27.362 47.475 -10.440 1.00 0.00 C ATOM 0 H ILE A 37 25.159 50.295 -11.830 1.00 0.00 H new ATOM 0 HA ILE A 37 27.417 51.574 -10.746 1.00 0.00 H new ATOM 0 HB ILE A 37 26.999 49.112 -12.486 1.00 0.00 H new ATOM 0 HG12 ILE A 37 27.847 49.391 -9.564 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.171 49.237 -10.051 1.00 0.00 H new ATOM 0 HG21 ILE A 37 29.344 48.513 -11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 37 29.270 50.018 -12.895 1.00 0.00 H new ATOM 0 HG23 ILE A 37 29.560 50.084 -11.140 1.00 0.00 H new ATOM 0 HD11 ILE A 37 27.125 47.018 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 37 26.689 47.084 -11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 37 28.392 47.241 -10.709 1.00 0.00 H new ATOM 569 N LEU A 38 27.104 51.716 -14.016 1.00 0.00 N ATOM 570 CA LEU A 38 27.615 52.364 -15.218 1.00 0.00 C ATOM 571 C LEU A 38 27.734 53.869 -15.004 1.00 0.00 C ATOM 572 O LEU A 38 28.636 54.511 -15.542 1.00 0.00 O ATOM 573 CB LEU A 38 26.683 52.082 -16.401 1.00 0.00 C ATOM 574 CG LEU A 38 27.254 52.710 -17.677 1.00 0.00 C ATOM 575 CD1 LEU A 38 28.566 52.015 -18.052 1.00 0.00 C ATOM 576 CD2 LEU A 38 26.247 52.543 -18.817 1.00 0.00 C ATOM 0 H LEU A 38 26.250 51.176 -14.156 1.00 0.00 H new ATOM 0 HA LEU A 38 28.604 51.961 -15.434 1.00 0.00 H new ATOM 0 HB2 LEU A 38 26.567 51.007 -16.535 1.00 0.00 H new ATOM 0 HB3 LEU A 38 25.691 52.487 -16.198 1.00 0.00 H new ATOM 0 HG LEU A 38 27.443 53.770 -17.506 1.00 0.00 H new ATOM 0 HD11 LEU A 38 28.969 52.464 -18.960 1.00 0.00 H new ATOM 0 HD12 LEU A 38 29.284 52.131 -17.240 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.380 50.955 -18.223 1.00 0.00 H new ATOM 0 HD21 LEU A 38 26.650 52.989 -19.727 1.00 0.00 H new ATOM 0 HD22 LEU A 38 26.060 51.482 -18.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.313 53.039 -18.553 1.00 0.00 H new ATOM 588 N SER A 39 26.824 54.426 -14.213 1.00 0.00 N ATOM 589 CA SER A 39 26.847 55.857 -13.934 1.00 0.00 C ATOM 590 C SER A 39 28.141 56.239 -13.224 1.00 0.00 C ATOM 591 O SER A 39 28.745 57.268 -13.524 1.00 0.00 O ATOM 592 CB SER A 39 25.651 56.238 -13.062 1.00 0.00 C ATOM 593 OG SER A 39 25.686 57.635 -12.801 1.00 0.00 O ATOM 0 H SER A 39 26.068 53.915 -13.758 1.00 0.00 H new ATOM 0 HA SER A 39 26.791 56.396 -14.880 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.721 55.974 -13.565 1.00 0.00 H new ATOM 0 HB3 SER A 39 25.677 55.681 -12.126 1.00 0.00 H new ATOM 0 HG SER A 39 24.919 57.883 -12.243 1.00 0.00 H new ATOM 599 N SER A 40 28.561 55.400 -12.282 1.00 0.00 N ATOM 600 CA SER A 40 29.786 55.657 -11.535 1.00 0.00 C ATOM 601 C SER A 40 30.972 54.954 -12.189 1.00 0.00 C ATOM 602 O SER A 40 31.974 54.667 -11.534 1.00 0.00 O ATOM 603 CB SER A 40 29.631 55.168 -10.095 1.00 0.00 C ATOM 604 OG SER A 40 28.620 55.929 -9.447 1.00 0.00 O ATOM 0 H SER A 40 28.075 54.543 -12.020 1.00 0.00 H new ATOM 0 HA SER A 40 29.971 56.731 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 40 29.369 54.110 -10.084 1.00 0.00 H new ATOM 0 HB3 SER A 40 30.576 55.268 -9.561 1.00 0.00 H new ATOM 0 HG SER A 40 28.517 55.617 -8.524 1.00 0.00 H new ATOM 610 N THR A 41 30.853 54.679 -13.485 1.00 0.00 N ATOM 611 CA THR A 41 31.924 54.010 -14.216 1.00 0.00 C ATOM 612 C THR A 41 33.228 54.793 -14.099 1.00 0.00 C ATOM 613 O THR A 41 34.314 54.233 -14.253 1.00 0.00 O ATOM 614 CB THR A 41 31.541 53.871 -15.691 1.00 0.00 C ATOM 615 OG1 THR A 41 32.563 53.163 -16.378 1.00 0.00 O ATOM 616 CG2 THR A 41 31.373 55.259 -16.309 1.00 0.00 C ATOM 0 H THR A 41 30.033 54.907 -14.047 1.00 0.00 H new ATOM 0 HA THR A 41 32.069 53.021 -13.782 1.00 0.00 H new ATOM 0 HB THR A 41 30.602 53.324 -15.774 1.00 0.00 H new ATOM 0 HG1 THR A 41 32.319 53.071 -17.323 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.100 55.159 -17.360 1.00 0.00 H new ATOM 0 HG22 THR A 41 30.588 55.800 -15.780 1.00 0.00 H new ATOM 0 HG23 THR A 41 32.311 55.809 -16.228 1.00 0.00 H new ATOM 624 N ASN A 42 33.116 56.089 -13.828 1.00 0.00 N ATOM 625 CA ASN A 42 34.297 56.935 -13.695 1.00 0.00 C ATOM 626 C ASN A 42 34.833 56.910 -12.264 1.00 0.00 C ATOM 627 O ASN A 42 35.644 57.756 -11.885 1.00 0.00 O ATOM 628 CB ASN A 42 33.952 58.374 -14.085 1.00 0.00 C ATOM 629 CG ASN A 42 32.984 58.971 -13.070 1.00 0.00 C ATOM 630 OD1 ASN A 42 32.170 58.253 -12.490 1.00 0.00 O ATOM 631 ND2 ASN A 42 33.024 60.252 -12.820 1.00 0.00 N ATOM 0 H ASN A 42 32.228 56.573 -13.697 1.00 0.00 H new ATOM 0 HA ASN A 42 35.068 56.547 -14.360 1.00 0.00 H new ATOM 0 HB2 ASN A 42 34.860 58.975 -14.131 1.00 0.00 H new ATOM 0 HB3 ASN A 42 33.507 58.393 -15.080 1.00 0.00 H new ATOM 0 HD21 ASN A 42 32.380 60.660 -12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 42 33.700 60.845 -13.302 1.00 0.00 H new ATOM 638 N VAL A 43 34.382 55.939 -11.472 1.00 0.00 N ATOM 639 CA VAL A 43 34.833 55.826 -10.089 1.00 0.00 C ATOM 640 C VAL A 43 36.303 55.422 -10.036 1.00 0.00 C ATOM 641 O VAL A 43 37.002 55.713 -9.065 1.00 0.00 O ATOM 642 CB VAL A 43 33.988 54.790 -9.346 1.00 0.00 C ATOM 643 CG1 VAL A 43 34.265 53.398 -9.917 1.00 0.00 C ATOM 644 CG2 VAL A 43 34.350 54.811 -7.859 1.00 0.00 C ATOM 0 H VAL A 43 33.712 55.227 -11.761 1.00 0.00 H new ATOM 0 HA VAL A 43 34.718 56.798 -9.609 1.00 0.00 H new ATOM 0 HB VAL A 43 32.931 55.028 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 43 33.662 52.661 -9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 43 34.009 53.382 -10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 43 35.321 53.158 -9.795 1.00 0.00 H new ATOM 0 HG21 VAL A 43 33.749 54.073 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 43 35.407 54.573 -7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 43 34.153 55.802 -7.450 1.00 0.00 H new ATOM 654 N GLY A 44 36.766 54.748 -11.085 1.00 0.00 N ATOM 655 CA GLY A 44 38.155 54.308 -11.145 1.00 0.00 C ATOM 656 C GLY A 44 38.240 52.796 -11.326 1.00 0.00 C ATOM 657 O GLY A 44 39.232 52.171 -10.950 1.00 0.00 O ATOM 0 H GLY A 44 36.204 54.497 -11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 44 38.663 54.806 -11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 44 38.672 54.598 -10.231 1.00 0.00 H new ATOM 661 N SER A 45 37.194 52.213 -11.903 1.00 0.00 N ATOM 662 CA SER A 45 37.162 50.772 -12.126 1.00 0.00 C ATOM 663 C SER A 45 36.719 50.456 -13.552 1.00 0.00 C ATOM 664 O SER A 45 36.047 49.454 -13.794 1.00 0.00 O ATOM 665 CB SER A 45 36.201 50.114 -11.136 1.00 0.00 C ATOM 666 OG SER A 45 34.899 50.657 -11.314 1.00 0.00 O ATOM 0 H SER A 45 36.363 52.712 -12.222 1.00 0.00 H new ATOM 0 HA SER A 45 38.168 50.379 -11.976 1.00 0.00 H new ATOM 0 HB2 SER A 45 36.182 49.035 -11.292 1.00 0.00 H new ATOM 0 HB3 SER A 45 36.541 50.283 -10.114 1.00 0.00 H new ATOM 0 HG SER A 45 34.280 50.236 -10.682 1.00 0.00 H new ATOM 672 N ASN A 46 37.095 51.318 -14.491 1.00 0.00 N ATOM 673 CA ASN A 46 36.726 51.119 -15.889 1.00 0.00 C ATOM 674 C ASN A 46 37.852 50.431 -16.655 1.00 0.00 C ATOM 675 O ASN A 46 37.985 50.602 -17.867 1.00 0.00 O ATOM 676 CB ASN A 46 36.400 52.464 -16.544 1.00 0.00 C ATOM 677 CG ASN A 46 37.670 53.291 -16.714 1.00 0.00 C ATOM 678 OD1 ASN A 46 38.699 52.985 -16.112 1.00 0.00 O ATOM 679 ND2 ASN A 46 37.657 54.330 -17.504 1.00 0.00 N ATOM 0 H ASN A 46 37.650 52.155 -14.312 1.00 0.00 H new ATOM 0 HA ASN A 46 35.844 50.480 -15.921 1.00 0.00 H new ATOM 0 HB2 ASN A 46 35.932 52.300 -17.515 1.00 0.00 H new ATOM 0 HB3 ASN A 46 35.682 53.010 -15.932 1.00 0.00 H new ATOM 0 HD21 ASN A 46 38.501 54.890 -17.624 1.00 0.00 H new ATOM 0 HD22 ASN A 46 36.803 54.582 -18.002 1.00 0.00 H new ATOM 686 N THR A 47 38.662 49.653 -15.942 1.00 0.00 N ATOM 687 CA THR A 47 39.775 48.946 -16.569 1.00 0.00 C ATOM 688 C THR A 47 39.340 47.566 -17.058 1.00 0.00 C ATOM 689 O THR A 47 40.169 46.673 -17.235 1.00 0.00 O ATOM 690 CB THR A 47 40.925 48.794 -15.572 1.00 0.00 C ATOM 691 OG1 THR A 47 40.985 49.945 -14.741 1.00 0.00 O ATOM 692 CG2 THR A 47 42.244 48.642 -16.331 1.00 0.00 C ATOM 0 H THR A 47 38.570 49.497 -14.938 1.00 0.00 H new ATOM 0 HA THR A 47 40.108 49.531 -17.427 1.00 0.00 H new ATOM 0 HB THR A 47 40.758 47.910 -14.957 1.00 0.00 H new ATOM 0 HG1 THR A 47 41.720 49.848 -14.101 1.00 0.00 H new ATOM 0 HG21 THR A 47 43.063 48.534 -15.620 1.00 0.00 H new ATOM 0 HG22 THR A 47 42.198 47.759 -16.968 1.00 0.00 H new ATOM 0 HG23 THR A 47 42.413 49.525 -16.947 1.00 0.00 H new ATOM 700 N TYR A 48 38.040 47.396 -17.279 1.00 0.00 N ATOM 701 CA TYR A 48 37.518 46.118 -17.752 1.00 0.00 C ATOM 702 C TYR A 48 36.648 46.315 -18.992 1.00 0.00 C ATOM 703 O TYR A 48 35.798 45.482 -19.304 1.00 0.00 O ATOM 704 CB TYR A 48 36.697 45.446 -16.648 1.00 0.00 C ATOM 705 CG TYR A 48 35.411 46.209 -16.434 1.00 0.00 C ATOM 706 CD1 TYR A 48 34.213 45.728 -16.976 1.00 0.00 C ATOM 707 CD2 TYR A 48 35.418 47.397 -15.693 1.00 0.00 C ATOM 708 CE1 TYR A 48 33.021 46.436 -16.776 1.00 0.00 C ATOM 709 CE2 TYR A 48 34.226 48.104 -15.494 1.00 0.00 C ATOM 710 CZ TYR A 48 33.028 47.623 -16.035 1.00 0.00 C ATOM 711 OH TYR A 48 31.853 48.320 -15.838 1.00 0.00 O ATOM 0 H TYR A 48 37.334 48.119 -17.140 1.00 0.00 H new ATOM 0 HA TYR A 48 38.362 45.480 -18.015 1.00 0.00 H new ATOM 0 HB2 TYR A 48 36.478 44.414 -16.922 1.00 0.00 H new ATOM 0 HB3 TYR A 48 37.271 45.415 -15.722 1.00 0.00 H new ATOM 0 HD1 TYR A 48 34.208 44.812 -17.548 1.00 0.00 H new ATOM 0 HD2 TYR A 48 36.342 47.768 -15.275 1.00 0.00 H new ATOM 0 HE1 TYR A 48 32.096 46.066 -17.194 1.00 0.00 H new ATOM 0 HE2 TYR A 48 34.231 49.021 -14.923 1.00 0.00 H new ATOM 0 HH TYR A 48 32.033 49.120 -15.302 1.00 0.00 H new ATOM 721 N GLY A 49 36.868 47.422 -19.696 1.00 0.00 N ATOM 722 CA GLY A 49 36.097 47.717 -20.898 1.00 0.00 C ATOM 723 C GLY A 49 36.281 46.626 -21.948 1.00 0.00 C ATOM 724 O GLY A 49 37.364 46.057 -22.084 1.00 0.00 O ATOM 0 H GLY A 49 37.568 48.124 -19.457 1.00 0.00 H new ATOM 0 HA2 GLY A 49 35.041 47.807 -20.644 1.00 0.00 H new ATOM 0 HA3 GLY A 49 36.409 48.677 -21.308 1.00 0.00 H new ATOM 728 N LYS A 50 35.214 46.342 -22.687 1.00 0.00 N ATOM 729 CA LYS A 50 35.264 45.319 -23.725 1.00 0.00 C ATOM 730 C LYS A 50 36.241 45.716 -24.827 1.00 0.00 C ATOM 731 O LYS A 50 36.945 44.871 -25.379 1.00 0.00 O ATOM 732 CB LYS A 50 33.870 45.115 -24.323 1.00 0.00 C ATOM 733 CG LYS A 50 32.968 44.433 -23.292 1.00 0.00 C ATOM 734 CD LYS A 50 31.632 44.066 -23.943 1.00 0.00 C ATOM 735 CE LYS A 50 30.766 45.320 -24.084 1.00 0.00 C ATOM 736 NZ LYS A 50 30.256 45.729 -22.744 1.00 0.00 N ATOM 0 H LYS A 50 34.309 46.803 -22.588 1.00 0.00 H new ATOM 0 HA LYS A 50 35.606 44.388 -23.274 1.00 0.00 H new ATOM 0 HB2 LYS A 50 33.444 46.075 -24.616 1.00 0.00 H new ATOM 0 HB3 LYS A 50 33.935 44.506 -25.225 1.00 0.00 H new ATOM 0 HG2 LYS A 50 33.454 43.537 -22.905 1.00 0.00 H new ATOM 0 HG3 LYS A 50 32.801 45.097 -22.444 1.00 0.00 H new ATOM 0 HD2 LYS A 50 31.804 43.619 -24.922 1.00 0.00 H new ATOM 0 HD3 LYS A 50 31.114 43.321 -23.339 1.00 0.00 H new ATOM 0 HE2 LYS A 50 31.349 46.129 -24.525 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.932 45.124 -24.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 29.415 46.329 -22.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.003 44.882 -22.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 30.994 46.261 -22.239 1.00 0.00 H new ATOM 750 N ARG A 51 36.272 47.007 -25.146 1.00 0.00 N ATOM 751 CA ARG A 51 37.161 47.507 -26.191 1.00 0.00 C ATOM 752 C ARG A 51 38.578 46.977 -25.993 1.00 0.00 C ATOM 753 O ARG A 51 39.325 46.801 -26.955 1.00 0.00 O ATOM 754 CB ARG A 51 37.172 49.040 -26.183 1.00 0.00 C ATOM 755 CG ARG A 51 37.777 49.551 -24.871 1.00 0.00 C ATOM 756 CD ARG A 51 37.824 51.081 -24.886 1.00 0.00 C ATOM 757 NE ARG A 51 36.479 51.637 -24.742 1.00 0.00 N ATOM 758 CZ ARG A 51 35.713 51.940 -25.796 1.00 0.00 C ATOM 759 NH1 ARG A 51 36.128 51.728 -27.020 1.00 0.00 N ATOM 760 NH2 ARG A 51 34.531 52.457 -25.600 1.00 0.00 N ATOM 0 H ARG A 51 35.697 47.721 -24.700 1.00 0.00 H new ATOM 0 HA ARG A 51 36.791 47.156 -27.154 1.00 0.00 H new ATOM 0 HB2 ARG A 51 37.749 49.413 -27.029 1.00 0.00 H new ATOM 0 HB3 ARG A 51 36.157 49.420 -26.298 1.00 0.00 H new ATOM 0 HG2 ARG A 51 37.183 49.204 -24.026 1.00 0.00 H new ATOM 0 HG3 ARG A 51 38.781 49.148 -24.741 1.00 0.00 H new ATOM 0 HD2 ARG A 51 38.460 51.439 -24.077 1.00 0.00 H new ATOM 0 HD3 ARG A 51 38.269 51.428 -25.819 1.00 0.00 H new ATOM 0 HE ARG A 51 36.112 51.800 -23.804 1.00 0.00 H new ATOM 0 HH11 ARG A 51 37.051 51.325 -27.183 1.00 0.00 H new ATOM 0 HH12 ARG A 51 35.529 51.966 -27.810 1.00 0.00 H new ATOM 0 HH21 ARG A 51 34.199 52.626 -24.650 1.00 0.00 H new ATOM 0 HH22 ARG A 51 33.939 52.692 -26.396 1.00 0.00 H new ATOM 774 N ASN A 52 38.943 46.724 -24.742 1.00 0.00 N ATOM 775 CA ASN A 52 40.275 46.213 -24.438 1.00 0.00 C ATOM 776 C ASN A 52 40.503 44.873 -25.130 1.00 0.00 C ATOM 777 O ASN A 52 41.588 44.605 -25.645 1.00 0.00 O ATOM 778 CB ASN A 52 40.437 46.042 -22.926 1.00 0.00 C ATOM 779 CG ASN A 52 41.839 45.533 -22.609 1.00 0.00 C ATOM 780 OD1 ASN A 52 42.817 46.264 -22.766 1.00 0.00 O ATOM 781 ND2 ASN A 52 41.996 44.314 -22.171 1.00 0.00 N ATOM 0 H ASN A 52 38.343 46.862 -23.929 1.00 0.00 H new ATOM 0 HA ASN A 52 41.011 46.929 -24.803 1.00 0.00 H new ATOM 0 HB2 ASN A 52 40.264 46.993 -22.423 1.00 0.00 H new ATOM 0 HB3 ASN A 52 39.692 45.341 -22.549 1.00 0.00 H new ATOM 0 HD21 ASN A 52 42.930 43.965 -21.958 1.00 0.00 H new ATOM 0 HD22 ASN A 52 41.184 43.710 -22.042 1.00 0.00 H new ATOM 788 N ALA A 53 39.471 44.035 -25.135 1.00 0.00 N ATOM 789 CA ALA A 53 39.566 42.723 -25.764 1.00 0.00 C ATOM 790 C ALA A 53 39.788 42.854 -27.269 1.00 0.00 C ATOM 791 O ALA A 53 40.628 42.160 -27.842 1.00 0.00 O ATOM 792 CB ALA A 53 38.286 41.927 -25.505 1.00 0.00 C ATOM 0 H ALA A 53 38.565 44.239 -24.713 1.00 0.00 H new ATOM 0 HA ALA A 53 40.418 42.199 -25.331 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.364 40.948 -25.978 1.00 0.00 H new ATOM 0 HB2 ALA A 53 38.147 41.801 -24.431 1.00 0.00 H new ATOM 0 HB3 ALA A 53 37.433 42.464 -25.921 1.00 0.00 H new ATOM 798 N VAL A 54 39.030 43.741 -27.904 1.00 0.00 N ATOM 799 CA VAL A 54 39.154 43.945 -29.345 1.00 0.00 C ATOM 800 C VAL A 54 40.410 44.747 -29.679 1.00 0.00 C ATOM 801 O VAL A 54 40.900 44.704 -30.807 1.00 0.00 O ATOM 802 CB VAL A 54 37.915 44.674 -29.876 1.00 0.00 C ATOM 803 CG1 VAL A 54 38.214 46.168 -30.038 1.00 0.00 C ATOM 804 CG2 VAL A 54 37.524 44.084 -31.233 1.00 0.00 C ATOM 0 H VAL A 54 38.329 44.326 -27.450 1.00 0.00 H new ATOM 0 HA VAL A 54 39.234 42.969 -29.823 1.00 0.00 H new ATOM 0 HB VAL A 54 37.095 44.549 -29.168 1.00 0.00 H new ATOM 0 HG11 VAL A 54 37.328 46.678 -30.416 1.00 0.00 H new ATOM 0 HG12 VAL A 54 38.491 46.590 -29.072 1.00 0.00 H new ATOM 0 HG13 VAL A 54 39.036 46.300 -30.741 1.00 0.00 H new ATOM 0 HG21 VAL A 54 36.643 44.600 -31.614 1.00 0.00 H new ATOM 0 HG22 VAL A 54 38.349 44.208 -31.935 1.00 0.00 H new ATOM 0 HG23 VAL A 54 37.302 43.023 -31.118 1.00 0.00 H new ATOM 814 N GLU A 55 40.927 45.477 -28.695 1.00 0.00 N ATOM 815 CA GLU A 55 42.125 46.281 -28.909 1.00 0.00 C ATOM 816 C GLU A 55 43.363 45.392 -28.960 1.00 0.00 C ATOM 817 O GLU A 55 44.106 45.401 -29.940 1.00 0.00 O ATOM 818 CB GLU A 55 42.274 47.310 -27.787 1.00 0.00 C ATOM 819 CG GLU A 55 43.310 48.360 -28.191 1.00 0.00 C ATOM 820 CD GLU A 55 44.720 47.829 -27.948 1.00 0.00 C ATOM 821 OE1 GLU A 55 44.884 47.034 -27.037 1.00 0.00 O ATOM 822 OE2 GLU A 55 45.614 48.225 -28.676 1.00 0.00 O ATOM 0 H GLU A 55 40.540 45.528 -27.752 1.00 0.00 H new ATOM 0 HA GLU A 55 42.026 46.800 -29.862 1.00 0.00 H new ATOM 0 HB2 GLU A 55 41.315 47.788 -27.588 1.00 0.00 H new ATOM 0 HB3 GLU A 55 42.581 46.816 -26.865 1.00 0.00 H new ATOM 0 HG2 GLU A 55 43.187 48.617 -29.243 1.00 0.00 H new ATOM 0 HG3 GLU A 55 43.154 49.274 -27.619 1.00 0.00 H new ATOM 829 N VAL A 56 43.580 44.627 -27.895 1.00 0.00 N ATOM 830 CA VAL A 56 44.735 43.738 -27.830 1.00 0.00 C ATOM 831 C VAL A 56 44.761 42.799 -29.033 1.00 0.00 C ATOM 832 O VAL A 56 45.829 42.400 -29.496 1.00 0.00 O ATOM 833 CB VAL A 56 44.693 42.918 -26.538 1.00 0.00 C ATOM 834 CG1 VAL A 56 43.477 41.992 -26.558 1.00 0.00 C ATOM 835 CG2 VAL A 56 45.968 42.080 -26.426 1.00 0.00 C ATOM 0 H VAL A 56 42.978 44.604 -27.072 1.00 0.00 H new ATOM 0 HA VAL A 56 45.638 44.348 -27.843 1.00 0.00 H new ATOM 0 HB VAL A 56 44.622 43.591 -25.684 1.00 0.00 H new ATOM 0 HG11 VAL A 56 43.449 41.409 -25.638 1.00 0.00 H new ATOM 0 HG12 VAL A 56 42.568 42.587 -26.639 1.00 0.00 H new ATOM 0 HG13 VAL A 56 43.547 41.318 -27.412 1.00 0.00 H new ATOM 0 HG21 VAL A 56 45.940 41.495 -25.506 1.00 0.00 H new ATOM 0 HG22 VAL A 56 46.038 41.408 -27.281 1.00 0.00 H new ATOM 0 HG23 VAL A 56 46.836 42.739 -26.410 1.00 0.00 H new ATOM 845 N LEU A 57 43.580 42.448 -29.535 1.00 0.00 N ATOM 846 CA LEU A 57 43.491 41.553 -30.685 1.00 0.00 C ATOM 847 C LEU A 57 44.148 42.189 -31.907 1.00 0.00 C ATOM 848 O LEU A 57 44.820 41.512 -32.685 1.00 0.00 O ATOM 849 CB LEU A 57 42.026 41.233 -30.997 1.00 0.00 C ATOM 850 CG LEU A 57 41.726 39.782 -30.616 1.00 0.00 C ATOM 851 CD1 LEU A 57 41.439 39.694 -29.116 1.00 0.00 C ATOM 852 CD2 LEU A 57 40.503 39.294 -31.398 1.00 0.00 C ATOM 0 H LEU A 57 42.682 42.765 -29.169 1.00 0.00 H new ATOM 0 HA LEU A 57 44.015 40.629 -30.441 1.00 0.00 H new ATOM 0 HB2 LEU A 57 41.370 41.907 -30.446 1.00 0.00 H new ATOM 0 HB3 LEU A 57 41.827 41.390 -32.057 1.00 0.00 H new ATOM 0 HG LEU A 57 42.587 39.158 -30.857 1.00 0.00 H new ATOM 0 HD11 LEU A 57 41.225 38.660 -28.846 1.00 0.00 H new ATOM 0 HD12 LEU A 57 42.308 40.042 -28.558 1.00 0.00 H new ATOM 0 HD13 LEU A 57 40.578 40.317 -28.873 1.00 0.00 H new ATOM 0 HD21 LEU A 57 40.287 38.260 -31.128 1.00 0.00 H new ATOM 0 HD22 LEU A 57 39.643 39.919 -31.156 1.00 0.00 H new ATOM 0 HD23 LEU A 57 40.707 39.355 -32.467 1.00 0.00 H new ATOM 864 N LYS A 58 43.949 43.493 -32.065 1.00 0.00 N ATOM 865 CA LYS A 58 44.527 44.217 -33.193 1.00 0.00 C ATOM 866 C LYS A 58 46.049 44.118 -33.172 1.00 0.00 C ATOM 867 O LYS A 58 46.684 43.958 -34.215 1.00 0.00 O ATOM 868 CB LYS A 58 44.113 45.689 -33.133 1.00 0.00 C ATOM 869 CG LYS A 58 42.627 45.820 -33.475 1.00 0.00 C ATOM 870 CD LYS A 58 42.437 45.702 -34.989 1.00 0.00 C ATOM 871 CE LYS A 58 40.978 45.992 -35.346 1.00 0.00 C ATOM 872 NZ LYS A 58 40.108 44.918 -34.789 1.00 0.00 N ATOM 0 H LYS A 58 43.395 44.068 -31.431 1.00 0.00 H new ATOM 0 HA LYS A 58 44.157 43.769 -34.115 1.00 0.00 H new ATOM 0 HB2 LYS A 58 44.304 46.090 -32.138 1.00 0.00 H new ATOM 0 HB3 LYS A 58 44.710 46.274 -33.833 1.00 0.00 H new ATOM 0 HG2 LYS A 58 42.056 45.044 -32.965 1.00 0.00 H new ATOM 0 HG3 LYS A 58 42.246 46.779 -33.124 1.00 0.00 H new ATOM 0 HD2 LYS A 58 43.094 46.403 -35.504 1.00 0.00 H new ATOM 0 HD3 LYS A 58 42.712 44.702 -35.324 1.00 0.00 H new ATOM 0 HE2 LYS A 58 40.680 46.961 -34.945 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.861 46.045 -36.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 39.159 44.988 -35.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 40.518 43.989 -35.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 40.039 45.027 -33.757 1.00 0.00 H new ATOM 886 N ARG A 59 46.629 44.215 -31.981 1.00 0.00 N ATOM 887 CA ARG A 59 48.079 44.136 -31.840 1.00 0.00 C ATOM 888 C ARG A 59 48.563 42.685 -31.888 1.00 0.00 C ATOM 889 O ARG A 59 49.750 42.417 -31.700 1.00 0.00 O ATOM 890 CB ARG A 59 48.509 44.775 -30.517 1.00 0.00 C ATOM 891 CG ARG A 59 49.977 45.198 -30.606 1.00 0.00 C ATOM 892 CD ARG A 59 50.374 45.944 -29.331 1.00 0.00 C ATOM 893 NE ARG A 59 51.757 46.402 -29.424 1.00 0.00 N ATOM 894 CZ ARG A 59 52.324 47.126 -28.457 1.00 0.00 C ATOM 895 NH1 ARG A 59 51.651 47.453 -27.382 1.00 0.00 N ATOM 896 NH2 ARG A 59 53.564 47.513 -28.585 1.00 0.00 N ATOM 0 H ARG A 59 46.123 44.347 -31.105 1.00 0.00 H new ATOM 0 HA ARG A 59 48.528 44.676 -32.674 1.00 0.00 H new ATOM 0 HB2 ARG A 59 47.883 45.640 -30.299 1.00 0.00 H new ATOM 0 HB3 ARG A 59 48.372 44.068 -29.699 1.00 0.00 H new ATOM 0 HG2 ARG A 59 50.611 44.321 -30.739 1.00 0.00 H new ATOM 0 HG3 ARG A 59 50.130 45.837 -31.476 1.00 0.00 H new ATOM 0 HD2 ARG A 59 49.711 46.795 -29.178 1.00 0.00 H new ATOM 0 HD3 ARG A 59 50.257 45.290 -28.467 1.00 0.00 H new ATOM 0 HE ARG A 59 52.305 46.162 -30.250 1.00 0.00 H new ATOM 0 HH11 ARG A 59 50.682 47.154 -27.277 1.00 0.00 H new ATOM 0 HH12 ARG A 59 52.096 48.007 -26.650 1.00 0.00 H new ATOM 0 HH21 ARG A 59 54.093 47.262 -29.420 1.00 0.00 H new ATOM 0 HH22 ARG A 59 54.004 48.067 -27.850 1.00 0.00 H new ATOM 910 N GLU A 60 47.648 41.750 -32.141 1.00 0.00 N ATOM 911 CA GLU A 60 48.017 40.341 -32.207 1.00 0.00 C ATOM 912 C GLU A 60 47.469 39.701 -33.478 1.00 0.00 C ATOM 913 O GLU A 60 46.631 38.801 -33.421 1.00 0.00 O ATOM 914 CB GLU A 60 47.471 39.601 -30.985 1.00 0.00 C ATOM 915 CG GLU A 60 48.037 40.231 -29.710 1.00 0.00 C ATOM 916 CD GLU A 60 49.527 39.929 -29.596 1.00 0.00 C ATOM 917 OE1 GLU A 60 49.988 39.046 -30.302 1.00 0.00 O ATOM 918 OE2 GLU A 60 50.185 40.584 -28.806 1.00 0.00 O ATOM 0 H GLU A 60 46.659 41.941 -32.301 1.00 0.00 H new ATOM 0 HA GLU A 60 49.105 40.271 -32.219 1.00 0.00 H new ATOM 0 HB2 GLU A 60 46.382 39.649 -30.974 1.00 0.00 H new ATOM 0 HB3 GLU A 60 47.743 38.547 -31.034 1.00 0.00 H new ATOM 0 HG2 GLU A 60 47.876 41.309 -29.725 1.00 0.00 H new ATOM 0 HG3 GLU A 60 47.511 39.842 -28.838 1.00 0.00 H new ATOM 925 N PRO A 61 47.928 40.148 -34.615 1.00 0.00 N ATOM 926 CA PRO A 61 47.482 39.611 -35.935 1.00 0.00 C ATOM 927 C PRO A 61 47.974 38.183 -36.179 1.00 0.00 C ATOM 928 O PRO A 61 47.522 37.513 -37.108 1.00 0.00 O ATOM 929 CB PRO A 61 48.093 40.580 -36.949 1.00 0.00 C ATOM 930 CG PRO A 61 49.264 41.194 -36.257 1.00 0.00 C ATOM 931 CD PRO A 61 48.926 41.218 -34.767 1.00 0.00 C ATOM 0 HA PRO A 61 46.396 39.547 -36.001 1.00 0.00 H new ATOM 0 HB2 PRO A 61 48.402 40.058 -37.854 1.00 0.00 H new ATOM 0 HB3 PRO A 61 47.372 41.340 -37.250 1.00 0.00 H new ATOM 0 HG2 PRO A 61 50.169 40.615 -36.440 1.00 0.00 H new ATOM 0 HG3 PRO A 61 49.449 42.202 -36.629 1.00 0.00 H new ATOM 0 HD2 PRO A 61 49.808 41.032 -34.154 1.00 0.00 H new ATOM 0 HD3 PRO A 61 48.525 42.185 -34.464 1.00 0.00 H new ATOM 939 N LEU A 62 48.902 37.725 -35.343 1.00 0.00 N ATOM 940 CA LEU A 62 49.446 36.380 -35.480 1.00 0.00 C ATOM 941 C LEU A 62 48.339 35.338 -35.354 1.00 0.00 C ATOM 942 O LEU A 62 48.335 34.333 -36.064 1.00 0.00 O ATOM 943 CB LEU A 62 50.501 36.135 -34.400 1.00 0.00 C ATOM 944 CG LEU A 62 51.185 34.791 -34.651 1.00 0.00 C ATOM 945 CD1 LEU A 62 52.680 34.914 -34.351 1.00 0.00 C ATOM 946 CD2 LEU A 62 50.569 33.728 -33.739 1.00 0.00 C ATOM 0 H LEU A 62 49.290 38.263 -34.568 1.00 0.00 H new ATOM 0 HA LEU A 62 49.903 36.291 -36.466 1.00 0.00 H new ATOM 0 HB2 LEU A 62 51.238 36.938 -34.408 1.00 0.00 H new ATOM 0 HB3 LEU A 62 50.036 36.140 -33.414 1.00 0.00 H new ATOM 0 HG LEU A 62 51.046 34.502 -35.693 1.00 0.00 H new ATOM 0 HD11 LEU A 62 53.167 33.955 -34.530 1.00 0.00 H new ATOM 0 HD12 LEU A 62 53.120 35.672 -35.000 1.00 0.00 H new ATOM 0 HD13 LEU A 62 52.819 35.203 -33.309 1.00 0.00 H new ATOM 0 HD21 LEU A 62 51.056 32.769 -33.917 1.00 0.00 H new ATOM 0 HD22 LEU A 62 50.708 34.018 -32.697 1.00 0.00 H new ATOM 0 HD23 LEU A 62 49.504 33.639 -33.952 1.00 0.00 H new ATOM 958 N ASN A 63 47.407 35.585 -34.440 1.00 0.00 N ATOM 959 CA ASN A 63 46.301 34.661 -34.220 1.00 0.00 C ATOM 960 C ASN A 63 45.447 34.522 -35.479 1.00 0.00 C ATOM 961 O ASN A 63 44.721 33.540 -35.639 1.00 0.00 O ATOM 962 CB ASN A 63 45.429 35.156 -33.064 1.00 0.00 C ATOM 963 CG ASN A 63 44.562 36.323 -33.524 1.00 0.00 C ATOM 964 OD1 ASN A 63 44.991 37.131 -34.347 1.00 0.00 O ATOM 965 ND2 ASN A 63 43.358 36.459 -33.040 1.00 0.00 N ATOM 0 H ASN A 63 47.395 36.412 -33.843 1.00 0.00 H new ATOM 0 HA ASN A 63 46.718 33.685 -33.973 1.00 0.00 H new ATOM 0 HB2 ASN A 63 44.798 34.345 -32.701 1.00 0.00 H new ATOM 0 HB3 ASN A 63 46.059 35.467 -32.231 1.00 0.00 H new ATOM 0 HD21 ASN A 63 42.771 37.236 -33.344 1.00 0.00 H new ATOM 0 HD22 ASN A 63 43.004 35.788 -32.358 1.00 0.00 H new ATOM 972 N TYR A 64 45.533 35.508 -36.367 1.00 0.00 N ATOM 973 CA TYR A 64 44.757 35.477 -37.601 1.00 0.00 C ATOM 974 C TYR A 64 45.352 34.474 -38.585 1.00 0.00 C ATOM 975 O TYR A 64 44.624 33.772 -39.287 1.00 0.00 O ATOM 976 CB TYR A 64 44.730 36.867 -38.238 1.00 0.00 C ATOM 977 CG TYR A 64 43.848 36.844 -39.463 1.00 0.00 C ATOM 978 CD1 TYR A 64 42.457 36.925 -39.326 1.00 0.00 C ATOM 979 CD2 TYR A 64 44.421 36.742 -40.736 1.00 0.00 C ATOM 980 CE1 TYR A 64 41.639 36.904 -40.462 1.00 0.00 C ATOM 981 CE2 TYR A 64 43.603 36.721 -41.873 1.00 0.00 C ATOM 982 CZ TYR A 64 42.212 36.802 -41.736 1.00 0.00 C ATOM 983 OH TYR A 64 41.406 36.781 -42.856 1.00 0.00 O ATOM 0 H TYR A 64 46.126 36.330 -36.257 1.00 0.00 H new ATOM 0 HA TYR A 64 43.739 35.170 -37.359 1.00 0.00 H new ATOM 0 HB2 TYR A 64 44.357 37.599 -37.522 1.00 0.00 H new ATOM 0 HB3 TYR A 64 45.740 37.173 -38.510 1.00 0.00 H new ATOM 0 HD1 TYR A 64 42.015 37.004 -38.344 1.00 0.00 H new ATOM 0 HD2 TYR A 64 45.494 36.679 -40.842 1.00 0.00 H new ATOM 0 HE1 TYR A 64 40.566 36.966 -40.356 1.00 0.00 H new ATOM 0 HE2 TYR A 64 44.045 36.642 -42.855 1.00 0.00 H new ATOM 0 HH TYR A 64 41.963 36.708 -43.659 1.00 0.00 H new ATOM 993 N LEU A 65 46.678 34.415 -38.631 1.00 0.00 N ATOM 994 CA LEU A 65 47.362 33.495 -39.533 1.00 0.00 C ATOM 995 C LEU A 65 47.203 32.055 -39.044 1.00 0.00 C ATOM 996 O LEU A 65 46.923 31.822 -37.868 1.00 0.00 O ATOM 997 CB LEU A 65 48.849 33.852 -39.606 1.00 0.00 C ATOM 998 CG LEU A 65 49.016 35.229 -40.253 1.00 0.00 C ATOM 999 CD1 LEU A 65 50.466 35.693 -40.094 1.00 0.00 C ATOM 1000 CD2 LEU A 65 48.670 35.142 -41.743 1.00 0.00 C ATOM 0 H LEU A 65 47.298 34.989 -38.059 1.00 0.00 H new ATOM 0 HA LEU A 65 46.918 33.582 -40.525 1.00 0.00 H new ATOM 0 HB2 LEU A 65 49.282 33.854 -38.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 49.386 33.100 -40.184 1.00 0.00 H new ATOM 0 HG LEU A 65 48.349 35.941 -39.767 1.00 0.00 H new ATOM 0 HD11 LEU A 65 50.587 36.674 -40.554 1.00 0.00 H new ATOM 0 HD12 LEU A 65 50.714 35.757 -39.034 1.00 0.00 H new ATOM 0 HD13 LEU A 65 51.132 34.980 -40.580 1.00 0.00 H new ATOM 0 HD21 LEU A 65 48.789 36.123 -42.202 1.00 0.00 H new ATOM 0 HD22 LEU A 65 49.336 34.430 -42.230 1.00 0.00 H new ATOM 0 HD23 LEU A 65 47.638 34.811 -41.858 1.00 0.00 H new ATOM 1012 N PRO A 66 47.372 31.088 -39.914 1.00 0.00 N ATOM 1013 CA PRO A 66 47.239 29.647 -39.545 1.00 0.00 C ATOM 1014 C PRO A 66 48.101 29.283 -38.339 1.00 0.00 C ATOM 1015 O PRO A 66 49.237 29.739 -38.215 1.00 0.00 O ATOM 1016 CB PRO A 66 47.712 28.901 -40.796 1.00 0.00 C ATOM 1017 CG PRO A 66 47.521 29.858 -41.924 1.00 0.00 C ATOM 1018 CD PRO A 66 47.706 31.256 -41.340 1.00 0.00 C ATOM 0 HA PRO A 66 46.219 29.394 -39.255 1.00 0.00 H new ATOM 0 HB2 PRO A 66 48.757 28.605 -40.705 1.00 0.00 H new ATOM 0 HB3 PRO A 66 47.135 27.990 -40.952 1.00 0.00 H new ATOM 0 HG2 PRO A 66 48.243 29.671 -42.719 1.00 0.00 H new ATOM 0 HG3 PRO A 66 46.529 29.748 -42.362 1.00 0.00 H new ATOM 0 HD2 PRO A 66 48.727 31.613 -41.472 1.00 0.00 H new ATOM 0 HD3 PRO A 66 47.050 31.981 -41.822 1.00 0.00 H new