USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 55 ASN : amide:sc= -6.17! C(o=-11!,f=-13!) USER MOD Set 1.2: A 82 SER OG : rot 22:sc= -5! USER MOD Single : A 1 THR N :NH3+ -141:sc= -2.33! (180deg=-3.09!) USER MOD Single : A 1 THR OG1 : rot -49:sc= 0.814 USER MOD Single : A 3 THR OG1 : rot 63:sc= 0.872 USER MOD Single : A 5 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.7!) USER MOD Single : A 6 MET CE :methyl -162:sc=-0.00803 (180deg=-0.246) USER MOD Single : A 9 HIS : no HD1:sc= -0.0024 X(o=-0.0024,f=-0.0052) USER MOD Single : A 10 HIS : no HD1:sc= -0.614 K(o=-0.61,f=0.016) USER MOD Single : A 15 SER OG : rot 48:sc= 0.00306 USER MOD Single : A 19 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.031 K(o=-0.031,f=-4.6!) USER MOD Single : A 29 TYR OH : rot 45:sc= 1 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 159:sc= 0 (180deg=-0.182) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2 K(o=-2,f=-3.8!) USER MOD Single : A 58 ASN : amide:sc= -0.201 K(o=-0.2,f=-0.8) USER MOD Single : A 61 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.2!) USER MOD Single : A 62 MET CE :methyl -171:sc= -5.23! (180deg=-5.67!) USER MOD Single : A 63 SER OG : rot -22:sc= -1.43! USER MOD Single : A 64 ASN : amide:sc= 0.38 K(o=0.38,f=-6.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 157:sc= 0.0396 USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0915) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 7.963 -4.649 -0.191 1.00 0.00 N ATOM 2 CA THR A 1 8.301 -3.872 -1.371 1.00 0.00 C ATOM 3 C THR A 1 7.634 -4.468 -2.612 1.00 0.00 C ATOM 4 O THR A 1 8.061 -4.207 -3.736 1.00 0.00 O ATOM 5 CB THR A 1 9.826 -3.807 -1.473 1.00 0.00 C ATOM 6 OG1 THR A 1 10.065 -2.852 -2.504 1.00 0.00 O ATOM 7 CG2 THR A 1 10.433 -5.102 -2.017 1.00 0.00 C ATOM 0 H1 THR A 1 7.809 -4.009 0.614 1.00 0.00 H new ATOM 0 H2 THR A 1 7.096 -5.194 -0.371 1.00 0.00 H new ATOM 0 H3 THR A 1 8.742 -5.301 0.030 1.00 0.00 H new ATOM 0 HA THR A 1 7.922 -2.853 -1.295 1.00 0.00 H new ATOM 0 HB THR A 1 10.246 -3.594 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 1 9.510 -3.066 -3.283 1.00 0.00 H new ATOM 0 HG21 THR A 1 11.517 -5.002 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 1 10.176 -5.930 -1.356 1.00 0.00 H new ATOM 0 HG23 THR A 1 10.039 -5.298 -3.014 1.00 0.00 H new ATOM 15 N VAL A 2 6.598 -5.257 -2.367 1.00 0.00 N ATOM 16 CA VAL A 2 5.869 -5.892 -3.450 1.00 0.00 C ATOM 17 C VAL A 2 5.716 -4.901 -4.606 1.00 0.00 C ATOM 18 O VAL A 2 5.156 -3.820 -4.431 1.00 0.00 O ATOM 19 CB VAL A 2 4.528 -6.423 -2.937 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.806 -7.228 -4.021 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.719 -7.258 -1.670 1.00 0.00 C ATOM 0 H VAL A 2 6.247 -5.471 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 2 6.421 -6.752 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 2 3.903 -5.567 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.856 -7.594 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.622 -6.590 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.425 -8.074 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.751 -7.623 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.370 -8.105 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.171 -6.642 -0.893 1.00 0.00 H new ATOM 31 N THR A 3 6.222 -5.307 -5.761 1.00 0.00 N ATOM 32 CA THR A 3 6.149 -4.467 -6.946 1.00 0.00 C ATOM 33 C THR A 3 5.296 -5.140 -8.024 1.00 0.00 C ATOM 34 O THR A 3 5.779 -6.005 -8.751 1.00 0.00 O ATOM 35 CB THR A 3 7.579 -4.168 -7.401 1.00 0.00 C ATOM 36 OG1 THR A 3 8.078 -3.271 -6.413 1.00 0.00 O ATOM 37 CG2 THR A 3 7.622 -3.354 -8.697 1.00 0.00 C ATOM 0 H THR A 3 6.684 -6.205 -5.902 1.00 0.00 H new ATOM 0 HA THR A 3 5.656 -3.519 -6.730 1.00 0.00 H new ATOM 0 HB THR A 3 8.118 -5.105 -7.541 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.099 -3.721 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.659 -3.169 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.126 -3.910 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.112 -2.403 -8.546 1.00 0.00 H new ATOM 45 N LEU A 4 4.043 -4.715 -8.091 1.00 0.00 N ATOM 46 CA LEU A 4 3.118 -5.265 -9.067 1.00 0.00 C ATOM 47 C LEU A 4 3.087 -4.361 -10.301 1.00 0.00 C ATOM 48 O LEU A 4 2.597 -3.233 -10.236 1.00 0.00 O ATOM 49 CB LEU A 4 1.743 -5.490 -8.435 1.00 0.00 C ATOM 50 CG LEU A 4 1.368 -4.546 -7.291 1.00 0.00 C ATOM 51 CD1 LEU A 4 -0.150 -4.404 -7.172 1.00 0.00 C ATOM 52 CD2 LEU A 4 2.006 -4.999 -5.976 1.00 0.00 C ATOM 0 H LEU A 4 3.647 -3.996 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 4 3.455 -6.247 -9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.987 -5.401 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.699 -6.514 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 4 1.766 -3.557 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.389 -3.728 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.552 -4.002 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.593 -5.381 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.724 -4.311 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.658 -6.002 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.091 -5.007 -6.082 1.00 0.00 H new ATOM 63 N ASN A 5 3.618 -4.887 -11.394 1.00 0.00 N ATOM 64 CA ASN A 5 3.658 -4.141 -12.640 1.00 0.00 C ATOM 65 C ASN A 5 2.259 -3.601 -12.952 1.00 0.00 C ATOM 66 O ASN A 5 1.259 -4.197 -12.556 1.00 0.00 O ATOM 67 CB ASN A 5 4.090 -5.035 -13.805 1.00 0.00 C ATOM 68 CG ASN A 5 4.952 -4.258 -14.801 1.00 0.00 C ATOM 69 OD1 ASN A 5 5.075 -3.045 -14.742 1.00 0.00 O ATOM 70 ND2 ASN A 5 5.540 -5.022 -15.717 1.00 0.00 N ATOM 0 H ASN A 5 4.024 -5.821 -11.443 1.00 0.00 H new ATOM 0 HA ASN A 5 4.376 -3.329 -12.523 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.649 -5.890 -13.424 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.209 -5.430 -14.311 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.137 -4.598 -16.428 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.394 -6.032 -15.709 1.00 0.00 H new ATOM 76 N MET A 6 2.237 -2.481 -13.659 1.00 0.00 N ATOM 77 CA MET A 6 0.978 -1.855 -14.028 1.00 0.00 C ATOM 78 C MET A 6 1.217 -0.585 -14.847 1.00 0.00 C ATOM 79 O MET A 6 1.932 0.314 -14.410 1.00 0.00 O ATOM 80 CB MET A 6 0.191 -1.506 -12.763 1.00 0.00 C ATOM 81 CG MET A 6 -1.316 -1.565 -13.021 1.00 0.00 C ATOM 82 SD MET A 6 -2.206 -1.422 -11.480 1.00 0.00 S ATOM 83 CE MET A 6 -3.120 -2.954 -11.505 1.00 0.00 C ATOM 0 H MET A 6 3.070 -1.991 -13.986 1.00 0.00 H new ATOM 0 HA MET A 6 0.410 -2.557 -14.638 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.454 -2.199 -11.964 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.467 -0.508 -12.423 1.00 0.00 H new ATOM 0 HG2 MET A 6 -1.609 -0.761 -13.696 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.573 -2.503 -13.513 1.00 0.00 H new ATOM 0 HE1 MET A 6 -3.951 -2.893 -10.802 1.00 0.00 H new ATOM 0 HE2 MET A 6 -3.506 -3.131 -12.509 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.462 -3.775 -11.219 1.00 0.00 H new ATOM 91 N GLU A 7 0.603 -0.553 -16.021 1.00 0.00 N ATOM 92 CA GLU A 7 0.740 0.591 -16.905 1.00 0.00 C ATOM 93 C GLU A 7 -0.254 1.687 -16.514 1.00 0.00 C ATOM 94 O GLU A 7 -1.187 1.979 -17.260 1.00 0.00 O ATOM 95 CB GLU A 7 0.555 0.181 -18.368 1.00 0.00 C ATOM 96 CG GLU A 7 1.569 0.887 -19.269 1.00 0.00 C ATOM 97 CD GLU A 7 0.888 1.953 -20.129 1.00 0.00 C ATOM 98 OE1 GLU A 7 -0.086 2.579 -19.686 1.00 0.00 O ATOM 99 OE2 GLU A 7 1.406 2.123 -21.299 1.00 0.00 O ATOM 0 H GLU A 7 0.010 -1.301 -16.380 1.00 0.00 H new ATOM 0 HA GLU A 7 1.750 0.987 -16.798 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.669 -0.899 -18.464 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.457 0.425 -18.692 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.345 1.348 -18.658 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.061 0.156 -19.911 1.00 0.00 H new ATOM 105 N ARG A 8 -0.020 2.264 -15.345 1.00 0.00 N ATOM 106 CA ARG A 8 -0.883 3.321 -14.845 1.00 0.00 C ATOM 107 C ARG A 8 -2.348 2.995 -15.144 1.00 0.00 C ATOM 108 O ARG A 8 -2.891 3.435 -16.156 1.00 0.00 O ATOM 109 CB ARG A 8 -0.527 4.668 -15.478 1.00 0.00 C ATOM 110 CG ARG A 8 -0.161 5.697 -14.407 1.00 0.00 C ATOM 111 CD ARG A 8 1.323 6.060 -14.480 1.00 0.00 C ATOM 112 NE ARG A 8 2.152 4.859 -14.226 1.00 0.00 N ATOM 113 CZ ARG A 8 2.725 4.116 -15.196 1.00 0.00 C ATOM 114 NH1 ARG A 8 2.566 4.444 -16.496 1.00 0.00 N ATOM 115 NH2 ARG A 8 3.444 3.063 -14.854 1.00 0.00 N ATOM 0 H ARG A 8 0.755 2.020 -14.729 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.735 3.389 -13.767 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.309 4.541 -16.166 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.370 5.032 -16.065 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.765 6.594 -14.538 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.393 5.298 -13.420 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.557 6.472 -15.461 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.553 6.833 -13.746 1.00 0.00 H new ATOM 0 HE ARG A 8 2.299 4.576 -13.257 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.009 5.259 -16.752 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.003 3.877 -17.222 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.559 2.822 -13.870 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.884 2.490 -15.574 1.00 0.00 H new ATOM 125 N HIS A 9 -2.945 2.227 -14.246 1.00 0.00 N ATOM 126 CA HIS A 9 -4.337 1.837 -14.401 1.00 0.00 C ATOM 127 C HIS A 9 -5.182 2.514 -13.320 1.00 0.00 C ATOM 128 O HIS A 9 -4.645 3.058 -12.356 1.00 0.00 O ATOM 129 CB HIS A 9 -4.478 0.314 -14.396 1.00 0.00 C ATOM 130 CG HIS A 9 -4.638 -0.292 -15.771 1.00 0.00 C ATOM 131 ND1 HIS A 9 -3.704 -1.147 -16.326 1.00 0.00 N ATOM 132 CD2 HIS A 9 -5.633 -0.156 -16.694 1.00 0.00 C ATOM 133 CE1 HIS A 9 -4.127 -1.505 -17.530 1.00 0.00 C ATOM 134 NE2 HIS A 9 -5.323 -0.889 -17.756 1.00 0.00 N ATOM 0 H HIS A 9 -2.491 1.864 -13.408 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.708 2.175 -15.369 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -3.600 -0.121 -13.918 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.340 0.041 -13.787 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.522 0.446 -16.580 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.615 -2.168 -18.212 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.886 -0.977 -18.602 1.00 0.00 H new ATOM 141 N HIS A 10 -6.491 2.458 -13.517 1.00 0.00 N ATOM 142 CA HIS A 10 -7.417 3.059 -12.572 1.00 0.00 C ATOM 143 C HIS A 10 -8.273 1.967 -11.927 1.00 0.00 C ATOM 144 O HIS A 10 -8.118 0.787 -12.238 1.00 0.00 O ATOM 145 CB HIS A 10 -8.254 4.147 -13.247 1.00 0.00 C ATOM 146 CG HIS A 10 -8.871 3.722 -14.558 1.00 0.00 C ATOM 147 ND1 HIS A 10 -9.146 4.612 -15.581 1.00 0.00 N ATOM 148 CD2 HIS A 10 -9.262 2.493 -15.002 1.00 0.00 C ATOM 149 CE1 HIS A 10 -9.679 3.940 -16.590 1.00 0.00 C ATOM 150 NE2 HIS A 10 -9.751 2.626 -16.229 1.00 0.00 N ATOM 0 H HIS A 10 -6.933 2.005 -14.317 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.860 3.553 -11.776 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.048 4.455 -12.567 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.625 5.020 -13.419 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.187 1.568 -14.449 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.000 4.358 -17.533 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.120 1.871 -16.807 1.00 0.00 H new ATOM 157 N PHE A 11 -9.158 2.400 -11.040 1.00 0.00 N ATOM 158 CA PHE A 11 -10.039 1.473 -10.349 1.00 0.00 C ATOM 159 C PHE A 11 -9.235 0.432 -9.568 1.00 0.00 C ATOM 160 O PHE A 11 -8.542 -0.394 -10.161 1.00 0.00 O ATOM 161 CB PHE A 11 -10.869 0.763 -11.420 1.00 0.00 C ATOM 162 CG PHE A 11 -12.262 1.361 -11.625 1.00 0.00 C ATOM 163 CD1 PHE A 11 -13.195 1.267 -10.639 1.00 0.00 C ATOM 164 CD2 PHE A 11 -12.568 1.986 -12.794 1.00 0.00 C ATOM 165 CE1 PHE A 11 -14.488 1.822 -10.830 1.00 0.00 C ATOM 166 CE2 PHE A 11 -13.862 2.541 -12.984 1.00 0.00 C ATOM 167 CZ PHE A 11 -14.794 2.447 -11.999 1.00 0.00 C ATOM 0 H PHE A 11 -9.284 3.379 -10.784 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.667 2.013 -9.640 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.328 0.796 -12.366 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.972 -0.288 -11.148 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.952 0.770 -9.711 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.828 2.060 -13.577 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.228 1.748 -10.047 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.105 3.038 -13.912 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.778 2.869 -12.144 1.00 0.00 H new ATOM 176 N LEU A 12 -9.355 0.505 -8.251 1.00 0.00 N ATOM 177 CA LEU A 12 -8.649 -0.422 -7.384 1.00 0.00 C ATOM 178 C LEU A 12 -9.536 -0.775 -6.189 1.00 0.00 C ATOM 179 O LEU A 12 -9.906 -1.934 -6.006 1.00 0.00 O ATOM 180 CB LEU A 12 -7.284 0.148 -6.989 1.00 0.00 C ATOM 181 CG LEU A 12 -6.109 -0.832 -7.039 1.00 0.00 C ATOM 182 CD1 LEU A 12 -4.887 -0.187 -7.695 1.00 0.00 C ATOM 183 CD2 LEU A 12 -5.789 -1.376 -5.645 1.00 0.00 C ATOM 0 H LEU A 12 -9.930 1.192 -7.763 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.441 -1.353 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.059 0.988 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.357 0.546 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.398 -1.681 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.066 -0.904 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.136 0.113 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.587 0.690 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.951 -2.070 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.527 -0.550 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.661 -1.896 -5.248 1.00 0.00 H new ATOM 194 N GLY A 13 -9.855 0.247 -5.408 1.00 0.00 N ATOM 195 CA GLY A 13 -10.693 0.060 -4.235 1.00 0.00 C ATOM 196 C GLY A 13 -9.859 -0.367 -3.026 1.00 0.00 C ATOM 197 O GLY A 13 -10.090 -1.430 -2.453 1.00 0.00 O ATOM 0 H GLY A 13 -9.548 1.207 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.219 0.987 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.452 -0.695 -4.443 1.00 0.00 H new ATOM 201 N ILE A 14 -8.905 0.485 -2.676 1.00 0.00 N ATOM 202 CA ILE A 14 -8.036 0.209 -1.544 1.00 0.00 C ATOM 203 C ILE A 14 -8.180 1.327 -0.510 1.00 0.00 C ATOM 204 O ILE A 14 -8.815 2.346 -0.777 1.00 0.00 O ATOM 205 CB ILE A 14 -6.597 -0.010 -2.018 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.250 0.932 -3.172 1.00 0.00 C ATOM 207 CG2 ILE A 14 -6.356 -1.477 -2.381 1.00 0.00 C ATOM 208 CD1 ILE A 14 -6.126 2.376 -2.683 1.00 0.00 C ATOM 0 H ILE A 14 -8.715 1.365 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.332 -0.718 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.926 0.231 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.313 0.619 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.020 0.870 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.326 -1.605 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.534 -2.102 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.036 -1.770 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.879 3.025 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.072 2.694 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.339 2.439 -1.932 1.00 0.00 H new ATOM 219 N SER A 15 -7.581 1.098 0.649 1.00 0.00 N ATOM 220 CA SER A 15 -7.635 2.073 1.724 1.00 0.00 C ATOM 221 C SER A 15 -6.519 1.800 2.735 1.00 0.00 C ATOM 222 O SER A 15 -5.999 0.688 2.806 1.00 0.00 O ATOM 223 CB SER A 15 -8.998 2.050 2.421 1.00 0.00 C ATOM 224 OG SER A 15 -9.773 3.204 2.111 1.00 0.00 O ATOM 0 H SER A 15 -7.056 0.251 0.867 1.00 0.00 H new ATOM 0 HA SER A 15 -7.493 3.064 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.544 1.155 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.853 1.989 3.500 1.00 0.00 H new ATOM 0 HG SER A 15 -9.760 3.357 1.143 1.00 0.00 H new ATOM 229 N ILE A 16 -6.183 2.834 3.492 1.00 0.00 N ATOM 230 CA ILE A 16 -5.139 2.720 4.495 1.00 0.00 C ATOM 231 C ILE A 16 -5.765 2.791 5.889 1.00 0.00 C ATOM 232 O ILE A 16 -6.966 3.027 6.023 1.00 0.00 O ATOM 233 CB ILE A 16 -4.050 3.769 4.256 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.625 5.184 4.334 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.326 3.516 2.932 1.00 0.00 C ATOM 236 CD1 ILE A 16 -3.948 5.992 5.442 1.00 0.00 C ATOM 0 H ILE A 16 -6.616 3.755 3.430 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.642 1.753 4.418 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.309 3.679 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.490 5.688 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.698 5.134 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.558 4.275 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.862 2.530 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.042 3.562 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.376 6.994 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.106 5.498 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.879 6.061 5.241 1.00 0.00 H new ATOM 247 N VAL A 17 -4.925 2.584 6.892 1.00 0.00 N ATOM 248 CA VAL A 17 -5.383 2.620 8.270 1.00 0.00 C ATOM 249 C VAL A 17 -4.187 2.868 9.193 1.00 0.00 C ATOM 250 O VAL A 17 -3.040 2.833 8.751 1.00 0.00 O ATOM 251 CB VAL A 17 -6.140 1.334 8.606 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.239 0.109 8.445 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.733 1.399 10.016 1.00 0.00 C ATOM 0 H VAL A 17 -3.930 2.391 6.778 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.085 3.441 8.417 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.965 1.237 7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.802 -0.792 8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.888 0.048 7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.384 0.196 9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.266 0.472 10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.931 1.532 10.742 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.425 2.239 10.081 1.00 0.00 H new ATOM 263 N GLY A 18 -4.497 3.112 10.458 1.00 0.00 N ATOM 264 CA GLY A 18 -3.462 3.365 11.446 1.00 0.00 C ATOM 265 C GLY A 18 -3.758 2.624 12.751 1.00 0.00 C ATOM 266 O GLY A 18 -4.589 1.717 12.781 1.00 0.00 O ATOM 0 H GLY A 18 -5.450 3.140 10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.495 3.048 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.392 4.435 11.639 1.00 0.00 H new ATOM 270 N GLN A 19 -3.062 3.038 13.800 1.00 0.00 N ATOM 271 CA GLN A 19 -3.240 2.425 15.106 1.00 0.00 C ATOM 272 C GLN A 19 -2.218 2.982 16.098 1.00 0.00 C ATOM 273 O GLN A 19 -2.573 3.359 17.215 1.00 0.00 O ATOM 274 CB GLN A 19 -3.138 0.900 15.013 1.00 0.00 C ATOM 275 CG GLN A 19 -4.319 0.228 15.720 1.00 0.00 C ATOM 276 CD GLN A 19 -3.831 -0.765 16.776 1.00 0.00 C ATOM 277 OE1 GLN A 19 -3.196 -0.408 17.755 1.00 0.00 O ATOM 278 NE2 GLN A 19 -4.164 -2.027 16.526 1.00 0.00 N ATOM 0 H GLN A 19 -2.374 3.790 13.772 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.239 2.670 15.468 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.115 0.596 13.966 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.203 0.566 15.462 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.945 0.986 16.190 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.939 -0.289 14.988 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.697 -2.257 15.687 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.887 -2.765 17.173 1.00 0.00 H new ATOM 285 N SER A 20 -0.970 3.020 15.656 1.00 0.00 N ATOM 286 CA SER A 20 0.105 3.525 16.491 1.00 0.00 C ATOM 287 C SER A 20 0.227 2.678 17.759 1.00 0.00 C ATOM 288 O SER A 20 -0.766 2.145 18.251 1.00 0.00 O ATOM 289 CB SER A 20 -0.124 4.994 16.855 1.00 0.00 C ATOM 290 OG SER A 20 -0.161 5.830 15.702 1.00 0.00 O ATOM 0 H SER A 20 -0.679 2.709 14.729 1.00 0.00 H new ATOM 0 HA SER A 20 1.035 3.458 15.927 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.062 5.090 17.403 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.670 5.330 17.521 1.00 0.00 H new ATOM 0 HG SER A 20 -0.311 6.759 15.976 1.00 0.00 H new ATOM 295 N ASN A 21 1.453 2.578 18.250 1.00 0.00 N ATOM 296 CA ASN A 21 1.718 1.804 19.451 1.00 0.00 C ATOM 297 C ASN A 21 2.432 2.688 20.476 1.00 0.00 C ATOM 298 O ASN A 21 3.190 3.584 20.108 1.00 0.00 O ATOM 299 CB ASN A 21 2.623 0.608 19.147 1.00 0.00 C ATOM 300 CG ASN A 21 2.300 -0.571 20.067 1.00 0.00 C ATOM 301 OD1 ASN A 21 2.125 -0.426 21.266 1.00 0.00 O ATOM 302 ND2 ASN A 21 2.234 -1.743 19.442 1.00 0.00 N ATOM 0 H ASN A 21 2.275 3.020 17.838 1.00 0.00 H new ATOM 0 HA ASN A 21 0.764 1.446 19.838 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.497 0.307 18.107 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.667 0.896 19.272 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.026 -2.591 19.969 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.391 -1.794 18.435 1.00 0.00 H new ATOM 308 N ASP A 22 2.164 2.404 21.742 1.00 0.00 N ATOM 309 CA ASP A 22 2.771 3.163 22.823 1.00 0.00 C ATOM 310 C ASP A 22 2.303 4.617 22.746 1.00 0.00 C ATOM 311 O ASP A 22 1.375 5.013 23.450 1.00 0.00 O ATOM 312 CB ASP A 22 4.297 3.150 22.715 1.00 0.00 C ATOM 313 CG ASP A 22 5.002 2.151 23.634 1.00 0.00 C ATOM 314 OD1 ASP A 22 4.937 2.262 24.867 1.00 0.00 O ATOM 315 OD2 ASP A 22 5.650 1.215 23.027 1.00 0.00 O ATOM 0 H ASP A 22 1.535 1.660 22.044 1.00 0.00 H new ATOM 0 HA ASP A 22 2.472 2.705 23.766 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.571 2.928 21.684 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.670 4.150 22.936 1.00 0.00 H new ATOM 320 N ARG A 23 2.966 5.373 21.882 1.00 0.00 N ATOM 321 CA ARG A 23 2.630 6.775 21.704 1.00 0.00 C ATOM 322 C ARG A 23 3.030 7.244 20.303 1.00 0.00 C ATOM 323 O ARG A 23 4.213 7.441 20.026 1.00 0.00 O ATOM 324 CB ARG A 23 3.333 7.648 22.746 1.00 0.00 C ATOM 325 CG ARG A 23 2.610 8.986 22.917 1.00 0.00 C ATOM 326 CD ARG A 23 3.355 9.887 23.905 1.00 0.00 C ATOM 327 NE ARG A 23 3.640 11.197 23.279 1.00 0.00 N ATOM 328 CZ ARG A 23 4.654 11.419 22.414 1.00 0.00 C ATOM 329 NH1 ARG A 23 5.488 10.416 22.066 1.00 0.00 N ATOM 330 NH2 ARG A 23 4.816 12.630 21.915 1.00 0.00 N ATOM 0 H ARG A 23 3.734 5.041 21.298 1.00 0.00 H new ATOM 0 HA ARG A 23 1.552 6.875 21.831 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.367 7.124 23.701 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.365 7.824 22.442 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.529 9.486 21.952 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.594 8.812 23.272 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.756 10.027 24.805 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.286 9.411 24.213 1.00 0.00 H new ATOM 0 HE ARG A 23 3.033 11.982 23.515 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.355 9.483 22.457 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.251 10.591 21.412 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.181 13.381 22.184 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.576 12.814 21.261 1.00 0.00 H new ATOM 340 N GLY A 24 2.023 7.407 19.458 1.00 0.00 N ATOM 341 CA GLY A 24 2.256 7.847 18.093 1.00 0.00 C ATOM 342 C GLY A 24 3.560 7.265 17.543 1.00 0.00 C ATOM 343 O GLY A 24 4.621 7.872 17.677 1.00 0.00 O ATOM 0 H GLY A 24 1.044 7.242 19.692 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.422 7.541 17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.297 8.936 18.060 1.00 0.00 H new ATOM 347 N ASP A 25 3.437 6.094 16.937 1.00 0.00 N ATOM 348 CA ASP A 25 4.592 5.421 16.367 1.00 0.00 C ATOM 349 C ASP A 25 4.206 3.993 15.976 1.00 0.00 C ATOM 350 O ASP A 25 4.048 3.132 16.840 1.00 0.00 O ATOM 351 CB ASP A 25 5.739 5.342 17.377 1.00 0.00 C ATOM 352 CG ASP A 25 7.094 5.822 16.857 1.00 0.00 C ATOM 353 OD1 ASP A 25 7.733 6.700 17.455 1.00 0.00 O ATOM 354 OD2 ASP A 25 7.497 5.248 15.774 1.00 0.00 O ATOM 0 H ASP A 25 2.555 5.593 16.828 1.00 0.00 H new ATOM 0 HA ASP A 25 4.917 5.991 15.497 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.473 5.934 18.253 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.840 4.309 17.709 1.00 0.00 H new ATOM 359 N GLY A 26 4.064 3.787 14.676 1.00 0.00 N ATOM 360 CA GLY A 26 3.699 2.477 14.161 1.00 0.00 C ATOM 361 C GLY A 26 3.997 2.375 12.664 1.00 0.00 C ATOM 362 O GLY A 26 5.056 1.890 12.270 1.00 0.00 O ATOM 0 H GLY A 26 4.195 4.504 13.963 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.249 1.705 14.699 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.639 2.295 14.338 1.00 0.00 H new ATOM 366 N GLY A 27 3.042 2.838 11.871 1.00 0.00 N ATOM 367 CA GLY A 27 3.189 2.803 10.425 1.00 0.00 C ATOM 368 C GLY A 27 1.869 2.427 9.749 1.00 0.00 C ATOM 369 O GLY A 27 1.461 1.267 9.778 1.00 0.00 O ATOM 0 H GLY A 27 2.164 3.239 12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.521 3.777 10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.960 2.083 10.152 1.00 0.00 H new ATOM 373 N ILE A 28 1.238 3.429 9.156 1.00 0.00 N ATOM 374 CA ILE A 28 -0.027 3.218 8.474 1.00 0.00 C ATOM 375 C ILE A 28 0.107 2.035 7.513 1.00 0.00 C ATOM 376 O ILE A 28 1.131 1.885 6.847 1.00 0.00 O ATOM 377 CB ILE A 28 -0.494 4.510 7.798 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.659 5.635 8.820 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.773 4.276 6.992 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.630 5.230 9.931 1.00 0.00 C ATOM 0 H ILE A 28 1.579 4.390 9.134 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.807 2.960 9.190 1.00 0.00 H new ATOM 0 HB ILE A 28 0.277 4.825 7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.310 5.883 9.252 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.025 6.533 8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.083 5.209 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.586 3.527 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.562 3.924 7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.729 6.048 10.644 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.605 5.006 9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.249 4.347 10.443 1.00 0.00 H new ATOM 391 N TYR A 29 -0.940 1.225 7.471 1.00 0.00 N ATOM 392 CA TYR A 29 -0.951 0.060 6.603 1.00 0.00 C ATOM 393 C TYR A 29 -2.274 -0.043 5.841 1.00 0.00 C ATOM 394 O TYR A 29 -3.273 0.554 6.241 1.00 0.00 O ATOM 395 CB TYR A 29 -0.811 -1.154 7.524 1.00 0.00 C ATOM 396 CG TYR A 29 -1.721 -1.110 8.753 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.428 -0.258 9.799 1.00 0.00 C ATOM 398 CD2 TYR A 29 -2.835 -1.922 8.818 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.284 -0.217 10.956 1.00 0.00 C ATOM 400 CE2 TYR A 29 -3.690 -1.881 9.975 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.373 -1.030 10.987 1.00 0.00 C ATOM 402 OH TYR A 29 -4.181 -0.991 12.080 1.00 0.00 O ATOM 0 H TYR A 29 -1.787 1.352 8.024 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.149 0.122 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.030 -2.057 6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.225 -1.229 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.556 0.378 9.749 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.065 -2.589 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.066 0.445 11.781 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.564 -2.512 10.038 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.347 -0.058 12.331 1.00 0.00 H new ATOM 411 N ILE A 30 -2.237 -0.804 4.757 1.00 0.00 N ATOM 412 CA ILE A 30 -3.421 -0.993 3.936 1.00 0.00 C ATOM 413 C ILE A 30 -4.569 -1.499 4.811 1.00 0.00 C ATOM 414 O ILE A 30 -4.456 -2.548 5.443 1.00 0.00 O ATOM 415 CB ILE A 30 -3.107 -1.902 2.746 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.967 -1.536 1.533 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.255 -3.376 3.128 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.653 -0.119 1.047 1.00 0.00 C ATOM 0 H ILE A 30 -1.406 -1.297 4.428 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.743 -0.044 3.507 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.066 -1.745 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.789 -2.249 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.022 -1.609 1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.026 -4.000 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.567 -3.612 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.278 -3.567 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.277 0.117 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.855 0.593 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.603 -0.056 0.763 1.00 0.00 H new ATOM 429 N GLY A 31 -5.648 -0.730 4.819 1.00 0.00 N ATOM 430 CA GLY A 31 -6.815 -1.088 5.606 1.00 0.00 C ATOM 431 C GLY A 31 -7.310 -2.491 5.248 1.00 0.00 C ATOM 432 O GLY A 31 -7.537 -3.317 6.131 1.00 0.00 O ATOM 0 H GLY A 31 -5.738 0.139 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.569 -1.045 6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.610 -0.363 5.434 1.00 0.00 H new ATOM 436 N SER A 32 -7.461 -2.717 3.952 1.00 0.00 N ATOM 437 CA SER A 32 -7.923 -4.006 3.465 1.00 0.00 C ATOM 438 C SER A 32 -8.008 -3.990 1.938 1.00 0.00 C ATOM 439 O SER A 32 -7.870 -2.937 1.316 1.00 0.00 O ATOM 440 CB SER A 32 -9.283 -4.367 4.068 1.00 0.00 C ATOM 441 OG SER A 32 -10.360 -3.763 3.356 1.00 0.00 O ATOM 0 H SER A 32 -7.272 -2.029 3.223 1.00 0.00 H new ATOM 0 HA SER A 32 -7.205 -4.765 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.406 -5.450 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.314 -4.049 5.110 1.00 0.00 H new ATOM 0 HG SER A 32 -11.210 -4.019 3.770 1.00 0.00 H new ATOM 446 N ILE A 33 -8.234 -5.169 1.377 1.00 0.00 N ATOM 447 CA ILE A 33 -8.339 -5.304 -0.066 1.00 0.00 C ATOM 448 C ILE A 33 -9.648 -6.014 -0.414 1.00 0.00 C ATOM 449 O ILE A 33 -10.028 -6.982 0.245 1.00 0.00 O ATOM 450 CB ILE A 33 -7.095 -5.992 -0.631 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.838 -5.162 -0.362 1.00 0.00 C ATOM 452 CG2 ILE A 33 -7.269 -6.305 -2.118 1.00 0.00 C ATOM 453 CD1 ILE A 33 -5.288 -5.437 1.039 1.00 0.00 C ATOM 0 H ILE A 33 -8.347 -6.040 1.896 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.374 -4.323 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.968 -6.944 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.078 -5.395 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.069 -4.102 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.370 -6.794 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.125 -6.966 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.436 -5.379 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.395 -4.834 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.042 -5.180 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.035 -6.493 1.130 1.00 0.00 H new ATOM 464 N MET A 34 -10.302 -5.509 -1.449 1.00 0.00 N ATOM 465 CA MET A 34 -11.560 -6.083 -1.894 1.00 0.00 C ATOM 466 C MET A 34 -11.323 -7.232 -2.876 1.00 0.00 C ATOM 467 O MET A 34 -12.173 -7.520 -3.717 1.00 0.00 O ATOM 468 CB MET A 34 -12.407 -5.001 -2.567 1.00 0.00 C ATOM 469 CG MET A 34 -13.049 -4.081 -1.527 1.00 0.00 C ATOM 470 SD MET A 34 -14.447 -3.233 -2.243 1.00 0.00 S ATOM 471 CE MET A 34 -13.759 -1.596 -2.423 1.00 0.00 C ATOM 0 H MET A 34 -9.984 -4.707 -1.993 1.00 0.00 H new ATOM 0 HA MET A 34 -12.085 -6.477 -1.024 1.00 0.00 H new ATOM 0 HB2 MET A 34 -11.784 -4.414 -3.242 1.00 0.00 H new ATOM 0 HB3 MET A 34 -13.183 -5.467 -3.174 1.00 0.00 H new ATOM 0 HG2 MET A 34 -13.370 -4.663 -0.663 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.318 -3.356 -1.169 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.327 -1.043 -3.170 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.810 -1.073 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.719 -1.671 -2.741 1.00 0.00 H new ATOM 479 N LYS A 35 -10.162 -7.855 -2.739 1.00 0.00 N ATOM 480 CA LYS A 35 -9.801 -8.965 -3.604 1.00 0.00 C ATOM 481 C LYS A 35 -10.306 -8.686 -5.021 1.00 0.00 C ATOM 482 O LYS A 35 -10.805 -9.586 -5.694 1.00 0.00 O ATOM 483 CB LYS A 35 -10.306 -10.286 -3.020 1.00 0.00 C ATOM 484 CG LYS A 35 -9.247 -10.930 -2.123 1.00 0.00 C ATOM 485 CD LYS A 35 -9.895 -11.647 -0.938 1.00 0.00 C ATOM 486 CE LYS A 35 -8.835 -12.277 -0.031 1.00 0.00 C ATOM 487 NZ LYS A 35 -9.225 -12.148 1.390 1.00 0.00 N ATOM 0 H LYS A 35 -9.459 -7.612 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.717 -9.064 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.216 -10.110 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.567 -10.969 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.656 -11.639 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.560 -10.166 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.495 -10.940 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.573 -12.419 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.709 -13.329 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.873 -11.792 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.495 -12.581 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.322 -11.142 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.133 -12.631 1.546 1.00 0.00 H new ATOM 496 N GLY A 36 -10.159 -7.435 -5.432 1.00 0.00 N ATOM 497 CA GLY A 36 -10.594 -7.026 -6.756 1.00 0.00 C ATOM 498 C GLY A 36 -9.870 -7.826 -7.842 1.00 0.00 C ATOM 499 O GLY A 36 -9.904 -9.055 -7.840 1.00 0.00 O ATOM 0 H GLY A 36 -9.744 -6.691 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.670 -7.170 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.401 -5.962 -6.894 1.00 0.00 H new ATOM 503 N GLY A 37 -9.231 -7.093 -8.743 1.00 0.00 N ATOM 504 CA GLY A 37 -8.499 -7.719 -9.832 1.00 0.00 C ATOM 505 C GLY A 37 -7.042 -7.252 -9.854 1.00 0.00 C ATOM 506 O GLY A 37 -6.210 -7.834 -10.548 1.00 0.00 O ATOM 0 H GLY A 37 -9.205 -6.073 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.535 -8.803 -9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.976 -7.478 -10.782 1.00 0.00 H new ATOM 510 N ALA A 38 -6.778 -6.206 -9.084 1.00 0.00 N ATOM 511 CA ALA A 38 -5.436 -5.655 -9.005 1.00 0.00 C ATOM 512 C ALA A 38 -4.652 -6.385 -7.913 1.00 0.00 C ATOM 513 O ALA A 38 -3.908 -7.321 -8.199 1.00 0.00 O ATOM 514 CB ALA A 38 -5.517 -4.147 -8.757 1.00 0.00 C ATOM 0 H ALA A 38 -7.471 -5.726 -8.510 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.905 -5.803 -9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.510 -3.733 -8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.057 -3.672 -9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.042 -3.960 -7.820 1.00 0.00 H new ATOM 520 N VAL A 39 -4.847 -5.928 -6.684 1.00 0.00 N ATOM 521 CA VAL A 39 -4.167 -6.527 -5.547 1.00 0.00 C ATOM 522 C VAL A 39 -4.658 -7.963 -5.363 1.00 0.00 C ATOM 523 O VAL A 39 -3.973 -8.785 -4.758 1.00 0.00 O ATOM 524 CB VAL A 39 -4.372 -5.661 -4.302 1.00 0.00 C ATOM 525 CG1 VAL A 39 -4.052 -6.448 -3.030 1.00 0.00 C ATOM 526 CG2 VAL A 39 -3.535 -4.383 -4.380 1.00 0.00 C ATOM 0 H VAL A 39 -5.465 -5.151 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.092 -6.572 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.422 -5.372 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.205 -5.810 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.708 -7.316 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.014 -6.779 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.699 -3.785 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.479 -4.644 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.830 -3.808 -5.258 1.00 0.00 H new ATOM 536 N ALA A 40 -5.842 -8.223 -5.899 1.00 0.00 N ATOM 537 CA ALA A 40 -6.433 -9.548 -5.800 1.00 0.00 C ATOM 538 C ALA A 40 -5.606 -10.532 -6.630 1.00 0.00 C ATOM 539 O ALA A 40 -5.258 -11.611 -6.152 1.00 0.00 O ATOM 540 CB ALA A 40 -7.895 -9.489 -6.251 1.00 0.00 C ATOM 0 H ALA A 40 -6.408 -7.540 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.424 -9.898 -4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.339 -10.482 -6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.445 -8.797 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.943 -9.146 -7.284 1.00 0.00 H new ATOM 546 N ALA A 41 -5.316 -10.126 -7.857 1.00 0.00 N ATOM 547 CA ALA A 41 -4.538 -10.959 -8.757 1.00 0.00 C ATOM 548 C ALA A 41 -3.222 -11.344 -8.078 1.00 0.00 C ATOM 549 O ALA A 41 -2.657 -12.399 -8.365 1.00 0.00 O ATOM 550 CB ALA A 41 -4.317 -10.217 -10.077 1.00 0.00 C ATOM 0 H ALA A 41 -5.606 -9.230 -8.249 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.073 -11.880 -8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.733 -10.842 -10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.281 -9.991 -10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.779 -9.288 -9.887 1.00 0.00 H new ATOM 556 N ASP A 42 -2.773 -10.470 -7.190 1.00 0.00 N ATOM 557 CA ASP A 42 -1.535 -10.706 -6.467 1.00 0.00 C ATOM 558 C ASP A 42 -1.652 -12.010 -5.676 1.00 0.00 C ATOM 559 O ASP A 42 -0.783 -12.876 -5.768 1.00 0.00 O ATOM 560 CB ASP A 42 -1.253 -9.575 -5.475 1.00 0.00 C ATOM 561 CG ASP A 42 0.172 -9.019 -5.518 1.00 0.00 C ATOM 562 OD1 ASP A 42 0.448 -8.022 -6.203 1.00 0.00 O ATOM 563 OD2 ASP A 42 1.030 -9.660 -4.800 1.00 0.00 O ATOM 0 H ASP A 42 -3.244 -9.597 -6.954 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.725 -10.759 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.951 -8.760 -5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.456 -9.937 -4.467 1.00 0.00 H new ATOM 568 N GLY A 43 -2.733 -12.111 -4.916 1.00 0.00 N ATOM 569 CA GLY A 43 -2.974 -13.295 -4.110 1.00 0.00 C ATOM 570 C GLY A 43 -3.903 -12.979 -2.937 1.00 0.00 C ATOM 571 O GLY A 43 -5.017 -12.497 -3.134 1.00 0.00 O ATOM 0 H GLY A 43 -3.452 -11.391 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.416 -14.077 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.027 -13.683 -3.734 1.00 0.00 H new ATOM 575 N ARG A 44 -3.411 -13.263 -1.741 1.00 0.00 N ATOM 576 CA ARG A 44 -4.182 -13.016 -0.534 1.00 0.00 C ATOM 577 C ARG A 44 -3.518 -11.923 0.306 1.00 0.00 C ATOM 578 O ARG A 44 -3.242 -12.126 1.487 1.00 0.00 O ATOM 579 CB ARG A 44 -4.314 -14.288 0.306 1.00 0.00 C ATOM 580 CG ARG A 44 -5.637 -14.999 0.019 1.00 0.00 C ATOM 581 CD ARG A 44 -5.875 -16.137 1.015 1.00 0.00 C ATOM 582 NE ARG A 44 -5.292 -17.394 0.497 1.00 0.00 N ATOM 583 CZ ARG A 44 -5.723 -18.627 0.840 1.00 0.00 C ATOM 584 NH1 ARG A 44 -6.746 -18.777 1.708 1.00 0.00 N ATOM 585 NH2 ARG A 44 -5.128 -19.682 0.317 1.00 0.00 N ATOM 0 H ARG A 44 -2.486 -13.663 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.177 -12.691 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.482 -14.959 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.254 -14.037 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.458 -14.284 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.628 -15.395 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.427 -15.888 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.944 -16.265 1.184 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.515 -17.325 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.199 -17.956 2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.066 -19.711 1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.354 -19.560 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.442 -20.620 0.566 1.00 0.00 H new ATOM 595 N ILE A 45 -3.281 -10.789 -0.336 1.00 0.00 N ATOM 596 CA ILE A 45 -2.655 -9.665 0.338 1.00 0.00 C ATOM 597 C ILE A 45 -3.256 -9.514 1.736 1.00 0.00 C ATOM 598 O ILE A 45 -4.310 -10.079 2.027 1.00 0.00 O ATOM 599 CB ILE A 45 -2.763 -8.400 -0.517 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.820 -8.470 -1.721 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.523 -7.146 0.326 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.403 -8.851 -1.287 1.00 0.00 C ATOM 0 H ILE A 45 -3.511 -10.624 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.588 -9.845 0.467 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.779 -8.337 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.194 -9.201 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.802 -7.506 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.605 -6.262 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.267 -7.094 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.526 -7.187 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.246 -8.894 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.023 -8.105 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.421 -9.826 -0.801 1.00 0.00 H new ATOM 613 N GLU A 46 -2.561 -8.750 2.566 1.00 0.00 N ATOM 614 CA GLU A 46 -3.013 -8.518 3.926 1.00 0.00 C ATOM 615 C GLU A 46 -3.084 -7.016 4.214 1.00 0.00 C ATOM 616 O GLU A 46 -2.494 -6.214 3.493 1.00 0.00 O ATOM 617 CB GLU A 46 -2.107 -9.226 4.934 1.00 0.00 C ATOM 618 CG GLU A 46 -2.361 -10.735 4.935 1.00 0.00 C ATOM 619 CD GLU A 46 -2.523 -11.263 6.361 1.00 0.00 C ATOM 620 OE1 GLU A 46 -1.522 -11.547 7.035 1.00 0.00 O ATOM 621 OE2 GLU A 46 -3.743 -11.375 6.766 1.00 0.00 O ATOM 0 H GLU A 46 -1.687 -8.284 2.322 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.014 -8.936 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.063 -9.030 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.283 -8.823 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.258 -10.957 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.532 -11.247 4.446 1.00 0.00 H new ATOM 627 N PRO A 47 -3.831 -6.673 5.297 1.00 0.00 N ATOM 628 CA PRO A 47 -3.987 -5.283 5.689 1.00 0.00 C ATOM 629 C PRO A 47 -2.715 -4.755 6.356 1.00 0.00 C ATOM 630 O PRO A 47 -2.355 -3.592 6.181 1.00 0.00 O ATOM 631 CB PRO A 47 -5.193 -5.267 6.614 1.00 0.00 C ATOM 632 CG PRO A 47 -5.384 -6.703 7.074 1.00 0.00 C ATOM 633 CD PRO A 47 -4.546 -7.596 6.175 1.00 0.00 C ATOM 0 HA PRO A 47 -4.147 -4.622 4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.026 -4.604 7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.079 -4.902 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.078 -6.814 8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.435 -6.985 7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.854 -8.205 6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.172 -8.281 5.603 1.00 0.00 H new ATOM 638 N GLY A 48 -2.069 -5.636 7.106 1.00 0.00 N ATOM 639 CA GLY A 48 -0.845 -5.274 7.800 1.00 0.00 C ATOM 640 C GLY A 48 0.364 -5.373 6.868 1.00 0.00 C ATOM 641 O GLY A 48 1.504 -5.395 7.325 1.00 0.00 O ATOM 0 H GLY A 48 -2.371 -6.600 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.929 -4.258 8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.702 -5.930 8.658 1.00 0.00 H new ATOM 645 N ASP A 49 0.071 -5.431 5.576 1.00 0.00 N ATOM 646 CA ASP A 49 1.120 -5.529 4.576 1.00 0.00 C ATOM 647 C ASP A 49 2.119 -4.387 4.777 1.00 0.00 C ATOM 648 O ASP A 49 3.303 -4.533 4.481 1.00 0.00 O ATOM 649 CB ASP A 49 0.546 -5.411 3.163 1.00 0.00 C ATOM 650 CG ASP A 49 1.501 -5.821 2.041 1.00 0.00 C ATOM 651 OD1 ASP A 49 2.049 -4.970 1.324 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.677 -7.094 1.912 1.00 0.00 O ATOM 0 H ASP A 49 -0.877 -5.412 5.200 1.00 0.00 H new ATOM 0 HA ASP A 49 1.604 -6.499 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.351 -6.027 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.237 -4.379 2.998 1.00 0.00 H new ATOM 657 N MET A 50 1.603 -3.274 5.279 1.00 0.00 N ATOM 658 CA MET A 50 2.434 -2.108 5.523 1.00 0.00 C ATOM 659 C MET A 50 2.631 -1.296 4.240 1.00 0.00 C ATOM 660 O MET A 50 3.759 -0.960 3.882 1.00 0.00 O ATOM 661 CB MET A 50 3.795 -2.554 6.059 1.00 0.00 C ATOM 662 CG MET A 50 4.318 -1.574 7.111 1.00 0.00 C ATOM 663 SD MET A 50 4.961 -2.470 8.514 1.00 0.00 S ATOM 664 CE MET A 50 5.563 -1.110 9.502 1.00 0.00 C ATOM 0 H MET A 50 0.620 -3.156 5.523 1.00 0.00 H new ATOM 0 HA MET A 50 1.934 -1.476 6.257 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.710 -3.549 6.495 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.508 -2.626 5.237 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.099 -0.948 6.680 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.516 -0.909 7.431 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.000 -1.495 10.423 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.320 -0.561 8.942 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.736 -0.442 9.744 1.00 0.00 H new ATOM 672 N LEU A 51 1.517 -1.006 3.584 1.00 0.00 N ATOM 673 CA LEU A 51 1.553 -0.241 2.350 1.00 0.00 C ATOM 674 C LEU A 51 1.456 1.250 2.676 1.00 0.00 C ATOM 675 O LEU A 51 0.374 1.834 2.613 1.00 0.00 O ATOM 676 CB LEU A 51 0.473 -0.731 1.384 1.00 0.00 C ATOM 677 CG LEU A 51 0.376 0.013 0.050 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.645 1.149 0.129 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.752 0.508 -0.401 1.00 0.00 C ATOM 0 H LEU A 51 0.584 -1.287 3.884 1.00 0.00 H new ATOM 0 HA LEU A 51 2.501 -0.394 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.651 -1.786 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.492 -0.664 1.886 1.00 0.00 H new ATOM 0 HG LEU A 51 0.021 -0.686 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.694 1.661 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.626 0.741 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.344 1.856 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.656 1.033 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.159 1.186 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.423 -0.343 -0.523 1.00 0.00 H new ATOM 690 N LEU A 52 2.600 1.825 3.017 1.00 0.00 N ATOM 691 CA LEU A 52 2.658 3.238 3.353 1.00 0.00 C ATOM 692 C LEU A 52 3.697 3.926 2.468 1.00 0.00 C ATOM 693 O LEU A 52 3.937 5.125 2.603 1.00 0.00 O ATOM 694 CB LEU A 52 2.907 3.422 4.851 1.00 0.00 C ATOM 695 CG LEU A 52 4.343 3.757 5.256 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.344 2.887 4.492 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.629 5.249 5.081 1.00 0.00 C ATOM 0 H LEU A 52 3.495 1.338 3.068 1.00 0.00 H new ATOM 0 HA LEU A 52 1.700 3.717 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.254 4.216 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.610 2.507 5.364 1.00 0.00 H new ATOM 0 HG LEU A 52 4.461 3.530 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.358 3.145 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.155 1.836 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.233 3.060 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.657 5.459 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.487 5.527 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.947 5.826 5.705 1.00 0.00 H new ATOM 708 N GLN A 53 4.288 3.139 1.580 1.00 0.00 N ATOM 709 CA GLN A 53 5.296 3.657 0.673 1.00 0.00 C ATOM 710 C GLN A 53 5.059 3.129 -0.743 1.00 0.00 C ATOM 711 O GLN A 53 4.468 2.065 -0.921 1.00 0.00 O ATOM 712 CB GLN A 53 6.704 3.308 1.159 1.00 0.00 C ATOM 713 CG GLN A 53 6.756 1.880 1.707 1.00 0.00 C ATOM 714 CD GLN A 53 7.832 1.745 2.785 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.161 2.685 3.491 1.00 0.00 O ATOM 716 NE2 GLN A 53 8.360 0.528 2.874 1.00 0.00 N ATOM 0 H GLN A 53 4.087 2.145 1.470 1.00 0.00 H new ATOM 0 HA GLN A 53 5.213 4.744 0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.413 3.412 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.010 4.010 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.785 1.610 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.960 1.182 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.039 -0.214 2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.086 0.336 3.564 1.00 0.00 H new ATOM 723 N VAL A 54 5.531 3.896 -1.715 1.00 0.00 N ATOM 724 CA VAL A 54 5.378 3.518 -3.109 1.00 0.00 C ATOM 725 C VAL A 54 6.660 3.862 -3.870 1.00 0.00 C ATOM 726 O VAL A 54 7.372 4.796 -3.504 1.00 0.00 O ATOM 727 CB VAL A 54 4.135 4.187 -3.699 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.188 4.192 -5.228 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.858 3.511 -3.198 1.00 0.00 C ATOM 0 H VAL A 54 6.020 4.778 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 54 5.225 2.442 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 54 4.121 5.223 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.293 4.673 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.070 4.740 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.239 3.166 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.990 4.006 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.862 2.461 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.810 3.583 -2.111 1.00 0.00 H new ATOM 739 N ASN A 55 6.915 3.089 -4.916 1.00 0.00 N ATOM 740 CA ASN A 55 8.099 3.299 -5.730 1.00 0.00 C ATOM 741 C ASN A 55 9.277 3.668 -4.826 1.00 0.00 C ATOM 742 O ASN A 55 9.428 3.112 -3.740 1.00 0.00 O ATOM 743 CB ASN A 55 7.888 4.444 -6.723 1.00 0.00 C ATOM 744 CG ASN A 55 8.791 4.284 -7.947 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.986 4.525 -7.905 1.00 0.00 O ATOM 746 ND2 ASN A 55 8.155 3.864 -9.038 1.00 0.00 N ATOM 0 H ASN A 55 6.321 2.316 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 55 8.299 2.378 -6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.845 4.469 -7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.097 5.396 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.670 3.726 -9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.152 3.680 -9.005 1.00 0.00 H new ATOM 752 N ASP A 56 10.081 4.604 -5.309 1.00 0.00 N ATOM 753 CA ASP A 56 11.242 5.054 -4.558 1.00 0.00 C ATOM 754 C ASP A 56 10.786 5.995 -3.440 1.00 0.00 C ATOM 755 O ASP A 56 11.608 6.503 -2.680 1.00 0.00 O ATOM 756 CB ASP A 56 12.215 5.822 -5.455 1.00 0.00 C ATOM 757 CG ASP A 56 13.619 5.223 -5.545 1.00 0.00 C ATOM 758 OD1 ASP A 56 14.252 4.922 -4.522 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.070 5.067 -6.744 1.00 0.00 O ATOM 0 H ASP A 56 9.952 5.063 -6.211 1.00 0.00 H new ATOM 0 HA ASP A 56 11.743 4.175 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.794 5.877 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.295 6.845 -5.087 1.00 0.00 H new ATOM 764 N VAL A 57 9.478 6.197 -3.377 1.00 0.00 N ATOM 765 CA VAL A 57 8.905 7.068 -2.366 1.00 0.00 C ATOM 766 C VAL A 57 8.732 6.284 -1.063 1.00 0.00 C ATOM 767 O VAL A 57 8.481 5.081 -1.087 1.00 0.00 O ATOM 768 CB VAL A 57 7.596 7.673 -2.877 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.612 7.904 -1.728 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.855 8.970 -3.645 1.00 0.00 C ATOM 0 H VAL A 57 8.799 5.773 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 57 9.574 7.903 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 57 7.144 6.959 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.690 8.335 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.391 6.954 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.053 8.588 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.908 9.379 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.340 9.691 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.501 8.765 -4.498 1.00 0.00 H new ATOM 780 N ASN A 58 8.873 6.999 0.043 1.00 0.00 N ATOM 781 CA ASN A 58 8.736 6.386 1.354 1.00 0.00 C ATOM 782 C ASN A 58 8.112 7.393 2.321 1.00 0.00 C ATOM 783 O ASN A 58 8.823 8.145 2.986 1.00 0.00 O ATOM 784 CB ASN A 58 10.099 5.974 1.915 1.00 0.00 C ATOM 785 CG ASN A 58 10.738 4.882 1.055 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.159 3.840 0.797 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.963 5.178 0.628 1.00 0.00 N ATOM 0 H ASN A 58 9.081 7.997 0.059 1.00 0.00 H new ATOM 0 HA ASN A 58 8.107 5.502 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.757 6.842 1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.982 5.615 2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.475 4.514 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.390 6.069 0.881 1.00 0.00 H new ATOM 793 N PHE A 59 6.788 7.376 2.369 1.00 0.00 N ATOM 794 CA PHE A 59 6.058 8.278 3.245 1.00 0.00 C ATOM 795 C PHE A 59 6.085 7.780 4.691 1.00 0.00 C ATOM 796 O PHE A 59 5.053 7.751 5.360 1.00 0.00 O ATOM 797 CB PHE A 59 4.610 8.305 2.753 1.00 0.00 C ATOM 798 CG PHE A 59 4.438 8.905 1.356 1.00 0.00 C ATOM 799 CD1 PHE A 59 5.184 9.978 0.979 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.539 8.363 0.489 1.00 0.00 C ATOM 801 CE1 PHE A 59 5.024 10.533 -0.318 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.380 8.918 -0.807 1.00 0.00 C ATOM 803 CZ PHE A 59 4.126 9.991 -1.184 1.00 0.00 C ATOM 0 H PHE A 59 6.201 6.752 1.815 1.00 0.00 H new ATOM 0 HA PHE A 59 6.513 9.268 3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.219 7.288 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.008 8.877 3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.898 10.408 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.947 7.511 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.615 11.386 -0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.666 8.488 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.005 10.413 -2.171 1.00 0.00 H new ATOM 812 N GLU A 60 7.275 7.400 5.130 1.00 0.00 N ATOM 813 CA GLU A 60 7.449 6.904 6.486 1.00 0.00 C ATOM 814 C GLU A 60 6.969 7.947 7.498 1.00 0.00 C ATOM 815 O GLU A 60 5.880 7.821 8.054 1.00 0.00 O ATOM 816 CB GLU A 60 8.907 6.518 6.745 1.00 0.00 C ATOM 817 CG GLU A 60 9.304 5.291 5.923 1.00 0.00 C ATOM 818 CD GLU A 60 9.371 4.041 6.802 1.00 0.00 C ATOM 819 OE1 GLU A 60 10.188 3.980 7.732 1.00 0.00 O ATOM 820 OE2 GLU A 60 8.535 3.110 6.490 1.00 0.00 O ATOM 0 H GLU A 60 8.128 7.425 4.572 1.00 0.00 H new ATOM 0 HA GLU A 60 6.843 6.006 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.559 7.355 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.049 6.311 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.583 5.137 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.272 5.462 5.453 1.00 0.00 H new ATOM 826 N ASN A 61 7.806 8.952 7.706 1.00 0.00 N ATOM 827 CA ASN A 61 7.480 10.015 8.641 1.00 0.00 C ATOM 828 C ASN A 61 5.998 10.370 8.508 1.00 0.00 C ATOM 829 O ASN A 61 5.302 10.526 9.510 1.00 0.00 O ATOM 830 CB ASN A 61 8.296 11.276 8.347 1.00 0.00 C ATOM 831 CG ASN A 61 9.265 11.581 9.490 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.006 11.304 10.650 1.00 0.00 O ATOM 833 ND2 ASN A 61 10.395 12.167 9.101 1.00 0.00 N ATOM 0 H ASN A 61 8.709 9.053 7.243 1.00 0.00 H new ATOM 0 HA ASN A 61 7.710 9.662 9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.853 11.145 7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.624 12.122 8.199 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.106 12.411 9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.550 12.372 8.114 1.00 0.00 H new ATOM 839 N MET A 62 5.559 10.485 7.264 1.00 0.00 N ATOM 840 CA MET A 62 4.172 10.817 6.988 1.00 0.00 C ATOM 841 C MET A 62 3.224 9.963 7.833 1.00 0.00 C ATOM 842 O MET A 62 2.766 10.398 8.888 1.00 0.00 O ATOM 843 CB MET A 62 3.878 10.589 5.503 1.00 0.00 C ATOM 844 CG MET A 62 4.020 11.889 4.710 1.00 0.00 C ATOM 845 SD MET A 62 2.489 12.265 3.874 1.00 0.00 S ATOM 846 CE MET A 62 2.732 11.357 2.357 1.00 0.00 C ATOM 0 H MET A 62 6.139 10.354 6.435 1.00 0.00 H new ATOM 0 HA MET A 62 4.012 11.864 7.243 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.561 9.839 5.104 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.869 10.195 5.385 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.288 12.706 5.380 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.827 11.795 3.983 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.941 11.610 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.699 11.618 1.927 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.704 10.287 2.565 1.00 0.00 H new ATOM 854 N SER A 63 2.959 8.763 7.337 1.00 0.00 N ATOM 855 CA SER A 63 2.075 7.845 8.034 1.00 0.00 C ATOM 856 C SER A 63 0.821 8.584 8.508 1.00 0.00 C ATOM 857 O SER A 63 0.160 8.149 9.450 1.00 0.00 O ATOM 858 CB SER A 63 2.785 7.189 9.220 1.00 0.00 C ATOM 859 OG SER A 63 1.903 6.970 10.316 1.00 0.00 O ATOM 0 H SER A 63 3.341 8.406 6.461 1.00 0.00 H new ATOM 0 HA SER A 63 1.784 7.057 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.214 6.238 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.613 7.821 9.542 1.00 0.00 H new ATOM 0 HG SER A 63 1.136 7.576 10.245 1.00 0.00 H new ATOM 864 N ASN A 64 0.534 9.688 7.835 1.00 0.00 N ATOM 865 CA ASN A 64 -0.629 10.490 8.176 1.00 0.00 C ATOM 866 C ASN A 64 -1.862 9.589 8.250 1.00 0.00 C ATOM 867 O ASN A 64 -1.845 8.464 7.749 1.00 0.00 O ATOM 868 CB ASN A 64 -0.888 11.560 7.114 1.00 0.00 C ATOM 869 CG ASN A 64 -1.456 12.834 7.747 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.314 12.797 8.613 1.00 0.00 O ATOM 871 ND2 ASN A 64 -0.931 13.957 7.265 1.00 0.00 N ATOM 0 H ASN A 64 1.086 10.046 7.056 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.438 10.971 9.135 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.040 11.792 6.592 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.586 11.177 6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.244 14.860 7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.215 13.915 6.539 1.00 0.00 H new ATOM 877 N ASP A 65 -2.903 10.114 8.878 1.00 0.00 N ATOM 878 CA ASP A 65 -4.143 9.371 9.024 1.00 0.00 C ATOM 879 C ASP A 65 -4.985 9.538 7.757 1.00 0.00 C ATOM 880 O ASP A 65 -6.190 9.775 7.835 1.00 0.00 O ATOM 881 CB ASP A 65 -4.961 9.892 10.207 1.00 0.00 C ATOM 882 CG ASP A 65 -6.305 9.192 10.421 1.00 0.00 C ATOM 883 OD1 ASP A 65 -7.373 9.805 10.279 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.226 7.948 10.752 1.00 0.00 O ATOM 0 H ASP A 65 -2.913 11.046 9.292 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.891 8.324 9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.366 9.789 11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.142 10.957 10.064 1.00 0.00 H new ATOM 889 N ASP A 66 -4.318 9.408 6.620 1.00 0.00 N ATOM 890 CA ASP A 66 -4.989 9.542 5.338 1.00 0.00 C ATOM 891 C ASP A 66 -3.953 9.831 4.252 1.00 0.00 C ATOM 892 O ASP A 66 -4.167 10.692 3.399 1.00 0.00 O ATOM 893 CB ASP A 66 -5.989 10.699 5.359 1.00 0.00 C ATOM 894 CG ASP A 66 -5.492 11.971 6.049 1.00 0.00 C ATOM 895 OD1 ASP A 66 -4.847 12.826 5.423 1.00 0.00 O ATOM 896 OD2 ASP A 66 -5.796 12.069 7.298 1.00 0.00 O ATOM 0 H ASP A 66 -3.319 9.211 6.560 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.519 8.611 5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.261 10.943 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.898 10.364 5.858 1.00 0.00 H new ATOM 901 N ALA A 67 -2.851 9.098 4.318 1.00 0.00 N ATOM 902 CA ALA A 67 -1.781 9.265 3.350 1.00 0.00 C ATOM 903 C ALA A 67 -2.320 8.983 1.946 1.00 0.00 C ATOM 904 O ALA A 67 -1.677 9.318 0.952 1.00 0.00 O ATOM 905 CB ALA A 67 -0.610 8.353 3.720 1.00 0.00 C ATOM 0 H ALA A 67 -2.676 8.387 5.028 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.411 10.290 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.193 8.479 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.245 8.615 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.942 7.315 3.718 1.00 0.00 H new ATOM 911 N VAL A 68 -3.493 8.371 1.910 1.00 0.00 N ATOM 912 CA VAL A 68 -4.126 8.040 0.644 1.00 0.00 C ATOM 913 C VAL A 68 -4.376 9.325 -0.148 1.00 0.00 C ATOM 914 O VAL A 68 -4.189 9.357 -1.363 1.00 0.00 O ATOM 915 CB VAL A 68 -5.402 7.233 0.891 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.418 7.455 -0.231 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.086 5.745 1.059 1.00 0.00 C ATOM 0 H VAL A 68 -4.023 8.095 2.737 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.470 7.410 0.043 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.848 7.588 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.315 6.870 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.678 8.512 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.985 7.141 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.010 5.194 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.606 5.371 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.417 5.609 1.909 1.00 0.00 H new ATOM 927 N ARG A 69 -4.796 10.355 0.574 1.00 0.00 N ATOM 928 CA ARG A 69 -5.072 11.639 -0.046 1.00 0.00 C ATOM 929 C ARG A 69 -3.978 11.989 -1.057 1.00 0.00 C ATOM 930 O ARG A 69 -4.216 12.744 -1.998 1.00 0.00 O ATOM 931 CB ARG A 69 -5.161 12.749 1.003 1.00 0.00 C ATOM 932 CG ARG A 69 -5.428 14.105 0.346 1.00 0.00 C ATOM 933 CD ARG A 69 -6.769 14.682 0.805 1.00 0.00 C ATOM 934 NE ARG A 69 -7.741 14.655 -0.311 1.00 0.00 N ATOM 935 CZ ARG A 69 -9.080 14.603 -0.146 1.00 0.00 C ATOM 936 NH1 ARG A 69 -9.618 14.573 1.091 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.855 14.582 -1.214 1.00 0.00 N ATOM 0 H ARG A 69 -4.951 10.325 1.582 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.031 11.560 -0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.957 12.521 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.232 12.793 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.625 14.799 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.428 13.994 -0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.153 14.106 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.633 15.705 1.155 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.377 14.677 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.012 14.590 1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.631 14.534 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.440 14.605 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.869 14.543 -1.108 1.00 0.00 H new ATOM 947 N VAL A 70 -2.803 11.421 -0.828 1.00 0.00 N ATOM 948 CA VAL A 70 -1.671 11.663 -1.707 1.00 0.00 C ATOM 949 C VAL A 70 -1.446 10.434 -2.590 1.00 0.00 C ATOM 950 O VAL A 70 -1.322 10.555 -3.808 1.00 0.00 O ATOM 951 CB VAL A 70 -0.440 12.041 -0.882 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.690 11.029 -1.088 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.029 13.460 -1.213 1.00 0.00 C ATOM 0 H VAL A 70 -2.610 10.794 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.873 12.506 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.723 12.019 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.553 11.321 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.353 10.039 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.969 11.005 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.905 13.703 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.286 13.521 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.770 14.168 -0.992 1.00 0.00 H new ATOM 963 N LEU A 71 -1.399 9.280 -1.942 1.00 0.00 N ATOM 964 CA LEU A 71 -1.190 8.031 -2.653 1.00 0.00 C ATOM 965 C LEU A 71 -2.149 7.960 -3.843 1.00 0.00 C ATOM 966 O LEU A 71 -1.758 7.555 -4.938 1.00 0.00 O ATOM 967 CB LEU A 71 -1.309 6.843 -1.696 1.00 0.00 C ATOM 968 CG LEU A 71 -0.235 5.762 -1.833 1.00 0.00 C ATOM 969 CD1 LEU A 71 -0.154 5.247 -3.272 1.00 0.00 C ATOM 970 CD2 LEU A 71 1.119 6.265 -1.328 1.00 0.00 C ATOM 0 H LEU A 71 -1.502 9.184 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.178 7.987 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.287 7.221 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.284 6.379 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.520 4.918 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.617 4.480 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.115 4.822 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.094 6.072 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.864 5.477 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.424 7.135 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.035 6.542 -0.277 1.00 0.00 H new ATOM 981 N ARG A 72 -3.386 8.358 -3.589 1.00 0.00 N ATOM 982 CA ARG A 72 -4.405 8.346 -4.627 1.00 0.00 C ATOM 983 C ARG A 72 -4.006 9.275 -5.774 1.00 0.00 C ATOM 984 O ARG A 72 -4.487 9.123 -6.897 1.00 0.00 O ATOM 985 CB ARG A 72 -5.761 8.785 -4.072 1.00 0.00 C ATOM 986 CG ARG A 72 -6.896 8.376 -5.012 1.00 0.00 C ATOM 987 CD ARG A 72 -8.188 9.120 -4.668 1.00 0.00 C ATOM 988 NE ARG A 72 -8.716 9.799 -5.872 1.00 0.00 N ATOM 989 CZ ARG A 72 -8.241 10.968 -6.352 1.00 0.00 C ATOM 990 NH1 ARG A 72 -7.220 11.599 -5.733 1.00 0.00 N ATOM 991 NH2 ARG A 72 -8.790 11.485 -7.436 1.00 0.00 N ATOM 0 H ARG A 72 -3.707 8.691 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.490 7.324 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.918 8.338 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.769 9.866 -3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.613 8.588 -6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.062 7.301 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.928 8.420 -4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.998 9.851 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.488 9.356 -6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.802 11.193 -4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.867 12.482 -6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.561 11.002 -7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.443 12.368 -7.812 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.129 10.216 -5.454 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.660 11.169 -6.445 1.00 0.00 C ATOM 1003 C GLU A 73 -1.667 10.500 -7.398 1.00 0.00 C ATOM 1004 O GLU A 73 -1.426 10.995 -8.497 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.034 12.394 -5.774 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.507 12.341 -5.851 1.00 0.00 C ATOM 1007 CD GLU A 73 0.115 13.627 -5.305 1.00 0.00 C ATOM 1008 OE1 GLU A 73 0.207 13.800 -4.080 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.512 14.465 -6.202 1.00 0.00 O ATOM 0 H GLU A 73 -2.731 10.338 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.517 11.510 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.395 13.302 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.348 12.442 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.140 11.486 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.197 12.193 -6.885 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.119 9.383 -6.941 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.159 8.641 -7.740 1.00 0.00 C ATOM 1017 C ILE A 74 -0.875 8.011 -8.937 1.00 0.00 C ATOM 1018 O ILE A 74 -1.006 8.638 -9.987 1.00 0.00 O ATOM 1019 CB ILE A 74 0.592 7.629 -6.871 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.200 8.308 -5.642 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.643 6.877 -7.690 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.677 8.635 -5.871 1.00 0.00 C ATOM 0 H ILE A 74 -1.322 8.975 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 74 0.602 9.311 -8.140 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.123 6.890 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.652 9.223 -5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.098 7.656 -4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.162 6.164 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.155 6.343 -8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.362 7.587 -8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.085 9.117 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.227 7.715 -6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.773 9.306 -6.724 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.322 6.779 -8.738 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.022 6.058 -9.786 1.00 0.00 C ATOM 1035 C VAL A 75 -2.919 7.029 -10.556 1.00 0.00 C ATOM 1036 O VAL A 75 -3.053 6.925 -11.774 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.792 4.880 -9.187 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -1.979 3.588 -9.283 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.195 5.168 -7.740 1.00 0.00 C ATOM 0 H VAL A 75 -1.212 6.262 -7.865 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.313 5.636 -10.498 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.704 4.745 -9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.549 2.766 -8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.765 3.370 -10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.042 3.706 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.741 4.315 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.301 5.342 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.831 6.053 -7.709 1.00 0.00 H new ATOM 1049 N SER A 76 -3.510 7.953 -9.814 1.00 0.00 N ATOM 1050 CA SER A 76 -4.391 8.943 -10.411 1.00 0.00 C ATOM 1051 C SER A 76 -3.676 9.654 -11.561 1.00 0.00 C ATOM 1052 O SER A 76 -4.149 9.636 -12.696 1.00 0.00 O ATOM 1053 CB SER A 76 -4.862 9.961 -9.370 1.00 0.00 C ATOM 1054 OG SER A 76 -5.402 11.132 -9.975 1.00 0.00 O ATOM 0 H SER A 76 -3.396 8.038 -8.804 1.00 0.00 H new ATOM 0 HA SER A 76 -5.269 8.428 -10.800 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.616 9.503 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.025 10.237 -8.729 1.00 0.00 H new ATOM 0 HG SER A 76 -5.693 11.756 -9.278 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.546 10.262 -11.228 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.762 10.977 -12.220 1.00 0.00 C ATOM 1061 C GLN A 77 -0.273 10.670 -12.040 1.00 0.00 C ATOM 1062 O GLN A 77 0.132 9.509 -12.063 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.024 12.483 -12.146 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.515 12.787 -12.303 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.740 13.933 -13.293 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.727 13.756 -14.499 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.946 15.113 -12.715 1.00 0.00 N ATOM 0 H GLN A 77 -2.156 10.274 -10.286 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.067 10.637 -13.210 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.668 12.871 -11.192 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.461 12.993 -12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.037 11.895 -12.649 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.940 13.050 -11.334 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.944 15.190 -11.698 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.106 15.941 -13.289 1.00 0.00 H new ATOM 1074 N THR A 78 0.500 11.732 -11.865 1.00 0.00 N ATOM 1075 CA THR A 78 1.934 11.591 -11.682 1.00 0.00 C ATOM 1076 C THR A 78 2.236 10.490 -10.663 1.00 0.00 C ATOM 1077 O THR A 78 1.323 9.941 -10.049 1.00 0.00 O ATOM 1078 CB THR A 78 2.496 12.958 -11.284 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.880 13.235 -10.029 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.005 14.082 -12.197 1.00 0.00 C ATOM 0 H THR A 78 0.160 12.693 -11.846 1.00 0.00 H new ATOM 0 HA THR A 78 2.422 11.279 -12.605 1.00 0.00 H new ATOM 0 HB THR A 78 3.585 12.923 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.190 14.103 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.434 15.029 -11.870 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.313 13.879 -13.223 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.918 14.140 -12.150 1.00 0.00 H new ATOM 1088 N GLY A 79 3.521 10.201 -10.515 1.00 0.00 N ATOM 1089 CA GLY A 79 3.954 9.175 -9.581 1.00 0.00 C ATOM 1090 C GLY A 79 3.903 7.789 -10.227 1.00 0.00 C ATOM 1091 O GLY A 79 2.846 7.348 -10.676 1.00 0.00 O ATOM 0 H GLY A 79 4.276 10.659 -11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.970 9.387 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.318 9.191 -8.696 1.00 0.00 H new ATOM 1095 N PRO A 80 5.089 7.124 -10.255 1.00 0.00 N ATOM 1096 CA PRO A 80 5.190 5.797 -10.839 1.00 0.00 C ATOM 1097 C PRO A 80 4.581 4.743 -9.912 1.00 0.00 C ATOM 1098 O PRO A 80 4.520 4.939 -8.699 1.00 0.00 O ATOM 1099 CB PRO A 80 6.675 5.586 -11.083 1.00 0.00 C ATOM 1100 CG PRO A 80 7.390 6.602 -10.206 1.00 0.00 C ATOM 1101 CD PRO A 80 6.361 7.616 -9.733 1.00 0.00 C ATOM 0 HA PRO A 80 4.630 5.703 -11.770 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.973 4.570 -10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.923 5.734 -12.134 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.859 6.108 -9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.184 7.097 -10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.343 7.684 -8.645 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.585 8.613 -10.111 1.00 0.00 H new ATOM 1106 N ILE A 81 4.144 3.649 -10.518 1.00 0.00 N ATOM 1107 CA ILE A 81 3.543 2.563 -9.763 1.00 0.00 C ATOM 1108 C ILE A 81 4.644 1.633 -9.248 1.00 0.00 C ATOM 1109 O ILE A 81 5.661 1.443 -9.914 1.00 0.00 O ATOM 1110 CB ILE A 81 2.479 1.852 -10.602 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.105 2.495 -10.405 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.458 0.352 -10.303 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.155 2.121 -11.544 1.00 0.00 C ATOM 0 H ILE A 81 4.194 3.491 -11.524 1.00 0.00 H new ATOM 0 HA ILE A 81 3.020 2.951 -8.889 1.00 0.00 H new ATOM 0 HB ILE A 81 2.740 1.967 -11.654 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.682 2.173 -9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.211 3.579 -10.356 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.693 -0.130 -10.912 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.432 -0.079 -10.535 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.234 0.194 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.814 2.591 -11.379 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.569 2.466 -12.491 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.032 1.038 -11.575 1.00 0.00 H new ATOM 1124 N SER A 82 4.403 1.079 -8.070 1.00 0.00 N ATOM 1125 CA SER A 82 5.361 0.173 -7.459 1.00 0.00 C ATOM 1126 C SER A 82 5.235 0.228 -5.935 1.00 0.00 C ATOM 1127 O SER A 82 6.238 0.302 -5.227 1.00 0.00 O ATOM 1128 CB SER A 82 6.790 0.515 -7.886 1.00 0.00 C ATOM 1129 OG SER A 82 6.996 1.921 -7.987 1.00 0.00 O ATOM 0 H SER A 82 3.558 1.240 -7.522 1.00 0.00 H new ATOM 0 HA SER A 82 5.141 -0.839 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.493 0.097 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.002 0.048 -8.848 1.00 0.00 H new ATOM 0 HG SER A 82 6.327 2.389 -7.445 1.00 0.00 H new ATOM 1134 N LEU A 83 3.993 0.191 -5.474 1.00 0.00 N ATOM 1135 CA LEU A 83 3.723 0.235 -4.047 1.00 0.00 C ATOM 1136 C LEU A 83 4.868 -0.445 -3.294 1.00 0.00 C ATOM 1137 O LEU A 83 5.436 -1.425 -3.774 1.00 0.00 O ATOM 1138 CB LEU A 83 2.347 -0.362 -3.743 1.00 0.00 C ATOM 1139 CG LEU A 83 1.285 -0.187 -4.832 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.384 -1.298 -5.878 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.114 -0.097 -4.221 1.00 0.00 C ATOM 0 H LEU A 83 3.163 0.131 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 83 3.681 1.267 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.470 -1.428 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.973 0.087 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 83 1.474 0.755 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.619 -1.150 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.369 -1.273 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.235 -2.265 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.850 0.027 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.328 -1.011 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.162 0.757 -3.545 1.00 0.00 H new ATOM 1152 N THR A 84 5.173 0.103 -2.127 1.00 0.00 N ATOM 1153 CA THR A 84 6.241 -0.439 -1.303 1.00 0.00 C ATOM 1154 C THR A 84 5.758 -0.631 0.136 1.00 0.00 C ATOM 1155 O THR A 84 5.000 0.188 0.655 1.00 0.00 O ATOM 1156 CB THR A 84 7.448 0.493 -1.421 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.801 0.432 -2.799 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.681 -0.050 -0.695 1.00 0.00 C ATOM 0 H THR A 84 4.700 0.916 -1.732 1.00 0.00 H new ATOM 0 HA THR A 84 6.543 -1.429 -1.646 1.00 0.00 H new ATOM 0 HB THR A 84 7.191 1.472 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.298 1.240 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.509 0.650 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.455 -0.173 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.959 -1.014 -1.121 1.00 0.00 H new ATOM 1166 N VAL A 85 6.218 -1.716 0.741 1.00 0.00 N ATOM 1167 CA VAL A 85 5.843 -2.026 2.111 1.00 0.00 C ATOM 1168 C VAL A 85 7.084 -2.478 2.884 1.00 0.00 C ATOM 1169 O VAL A 85 8.043 -2.971 2.294 1.00 0.00 O ATOM 1170 CB VAL A 85 4.719 -3.063 2.123 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.548 -2.614 1.247 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.235 -4.436 1.688 1.00 0.00 C ATOM 0 H VAL A 85 6.847 -2.392 0.308 1.00 0.00 H new ATOM 0 HA VAL A 85 5.454 -1.140 2.612 1.00 0.00 H new ATOM 0 HB VAL A 85 4.356 -3.151 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.763 -3.370 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.155 -1.669 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.891 -2.483 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.416 -5.155 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.638 -4.370 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.019 -4.763 2.371 1.00 0.00 H new ATOM 1182 N ALA A 86 7.023 -2.294 4.195 1.00 0.00 N ATOM 1183 CA ALA A 86 8.129 -2.677 5.057 1.00 0.00 C ATOM 1184 C ALA A 86 7.901 -4.100 5.570 1.00 0.00 C ATOM 1185 O ALA A 86 8.180 -4.397 6.731 1.00 0.00 O ATOM 1186 CB ALA A 86 8.267 -1.662 6.193 1.00 0.00 C ATOM 0 H ALA A 86 6.225 -1.885 4.681 1.00 0.00 H new ATOM 0 HA ALA A 86 9.067 -2.673 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.096 -1.950 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.458 -0.673 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.345 -1.639 6.774 1.00 0.00 H new ATOM 1192 N LYS A 87 7.395 -4.942 4.681 1.00 0.00 N ATOM 1193 CA LYS A 87 7.126 -6.327 5.029 1.00 0.00 C ATOM 1194 C LYS A 87 6.254 -6.371 6.286 1.00 0.00 C ATOM 1195 O LYS A 87 5.992 -5.338 6.901 1.00 0.00 O ATOM 1196 CB LYS A 87 8.434 -7.110 5.160 1.00 0.00 C ATOM 1197 CG LYS A 87 8.304 -8.500 4.535 1.00 0.00 C ATOM 1198 CD LYS A 87 8.499 -8.440 3.019 1.00 0.00 C ATOM 1199 CE LYS A 87 7.174 -8.161 2.307 1.00 0.00 C ATOM 1200 NZ LYS A 87 7.043 -9.013 1.103 1.00 0.00 N ATOM 0 H LYS A 87 7.164 -4.692 3.720 1.00 0.00 H new ATOM 0 HA LYS A 87 6.566 -6.819 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.241 -6.562 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.702 -7.204 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.043 -9.171 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.322 -8.915 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.220 -7.661 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.915 -9.383 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.343 -8.350 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.121 -7.110 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.081 -8.925 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.732 -8.709 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.224 -10.005 1.358 1.00 0.00 H new ATOM 1209 N ALA A 88 5.829 -7.578 6.629 1.00 0.00 N ATOM 1210 CA ALA A 88 4.991 -7.771 7.801 1.00 0.00 C ATOM 1211 C ALA A 88 4.596 -9.246 7.904 1.00 0.00 C ATOM 1212 O ALA A 88 3.575 -9.658 7.356 1.00 0.00 O ATOM 1213 CB ALA A 88 3.776 -6.846 7.718 1.00 0.00 C ATOM 0 H ALA A 88 6.049 -8.432 6.116 1.00 0.00 H new ATOM 0 HA ALA A 88 5.536 -7.512 8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.148 -6.991 8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.110 -5.809 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.203 -7.078 6.820 1.00 0.00 H new ATOM 1219 N TRP A 89 5.426 -10.000 8.608 1.00 0.00 N ATOM 1220 CA TRP A 89 5.176 -11.421 8.789 1.00 0.00 C ATOM 1221 C TRP A 89 5.496 -12.128 7.471 1.00 0.00 C ATOM 1222 O TRP A 89 4.863 -11.864 6.450 1.00 0.00 O ATOM 1223 CB TRP A 89 3.745 -11.669 9.268 1.00 0.00 C ATOM 1224 CG TRP A 89 3.654 -12.259 10.677 1.00 0.00 C ATOM 1225 CD1 TRP A 89 3.078 -11.723 11.762 1.00 0.00 C ATOM 1226 CD2 TRP A 89 4.182 -13.531 11.112 1.00 0.00 C ATOM 1227 NE1 TRP A 89 3.195 -12.551 12.859 1.00 0.00 N ATOM 1228 CE2 TRP A 89 3.888 -13.686 12.451 1.00 0.00 C ATOM 1229 CE3 TRP A 89 4.884 -14.516 10.397 1.00 0.00 C ATOM 1230 CZ2 TRP A 89 4.258 -14.815 13.190 1.00 0.00 C ATOM 1231 CZ3 TRP A 89 5.247 -15.639 11.151 1.00 0.00 C ATOM 1232 CH2 TRP A 89 4.959 -15.810 12.500 1.00 0.00 C ATOM 0 H TRP A 89 6.273 -9.655 9.060 1.00 0.00 H new ATOM 0 HA TRP A 89 5.819 -11.830 9.569 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.196 -10.728 9.243 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.251 -12.345 8.570 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.584 -10.763 11.776 1.00 0.00 H new ATOM 0 HE1 TRP A 89 2.839 -12.365 13.797 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.125 -14.415 9.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 4.015 -14.913 14.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.789 -16.427 10.649 1.00 0.00 H new ATOM 0 HH2 TRP A 89 5.275 -16.706 13.013 1.00 0.00 H new ATOM 1242 N ASP A 90 6.480 -13.014 7.535 1.00 0.00 N ATOM 1243 CA ASP A 90 6.891 -13.762 6.359 1.00 0.00 C ATOM 1244 C ASP A 90 5.652 -14.154 5.550 1.00 0.00 C ATOM 1245 O ASP A 90 4.968 -15.120 5.884 1.00 0.00 O ATOM 1246 CB ASP A 90 7.625 -15.046 6.752 1.00 0.00 C ATOM 1247 CG ASP A 90 6.872 -15.946 7.734 1.00 0.00 C ATOM 1248 OD1 ASP A 90 6.054 -16.786 7.332 1.00 0.00 O ATOM 1249 OD2 ASP A 90 7.160 -15.756 8.977 1.00 0.00 O ATOM 0 H ASP A 90 7.004 -13.230 8.383 1.00 0.00 H new ATOM 0 HA ASP A 90 7.558 -13.130 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.837 -15.617 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.586 -14.778 7.192 1.00 0.00 H new ATOM 1254 N PRO A 91 5.396 -13.363 4.475 1.00 0.00 N ATOM 1255 CA PRO A 91 4.252 -13.617 3.615 1.00 0.00 C ATOM 1256 C PRO A 91 4.503 -14.826 2.710 1.00 0.00 C ATOM 1257 O PRO A 91 5.401 -15.625 2.971 1.00 0.00 O ATOM 1258 CB PRO A 91 4.048 -12.326 2.839 1.00 0.00 C ATOM 1259 CG PRO A 91 5.357 -11.563 2.948 1.00 0.00 C ATOM 1260 CD PRO A 91 6.183 -12.210 4.048 1.00 0.00 C ATOM 0 HA PRO A 91 3.354 -13.875 4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.801 -12.531 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.223 -11.747 3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.895 -11.590 2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.170 -10.514 3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.163 -12.514 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.353 -11.519 4.874 1.00 0.00 H new ATOM 1265 N THR A 92 3.694 -14.922 1.666 1.00 0.00 N ATOM 1266 CA THR A 92 3.817 -16.019 0.721 1.00 0.00 C ATOM 1267 C THR A 92 4.755 -15.633 -0.424 1.00 0.00 C ATOM 1268 O THR A 92 4.808 -14.472 -0.825 1.00 0.00 O ATOM 1269 CB THR A 92 2.412 -16.401 0.253 1.00 0.00 C ATOM 1270 OG1 THR A 92 2.637 -17.377 -0.759 1.00 0.00 O ATOM 1271 CG2 THR A 92 1.708 -15.257 -0.480 1.00 0.00 C ATOM 0 H THR A 92 2.950 -14.258 1.453 1.00 0.00 H new ATOM 0 HA THR A 92 4.268 -16.895 1.188 1.00 0.00 H new ATOM 0 HB THR A 92 1.813 -16.704 1.112 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.777 -17.681 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.715 -15.581 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.618 -14.399 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.289 -14.975 -1.358 1.00 0.00 H new ATOM 1279 N PRO A 93 5.493 -16.657 -0.932 1.00 0.00 N ATOM 1280 CA PRO A 93 6.427 -16.437 -2.024 1.00 0.00 C ATOM 1281 C PRO A 93 5.686 -16.265 -3.352 1.00 0.00 C ATOM 1282 O PRO A 93 4.469 -16.427 -3.413 1.00 0.00 O ATOM 1283 CB PRO A 93 7.344 -17.649 -2.007 1.00 0.00 C ATOM 1284 CG PRO A 93 6.609 -18.717 -1.214 1.00 0.00 C ATOM 1285 CD PRO A 93 5.458 -18.045 -0.482 1.00 0.00 C ATOM 0 HA PRO A 93 7.002 -15.518 -1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 93 7.557 -17.992 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 93 8.301 -17.408 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.236 -19.496 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.283 -19.198 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.505 -18.516 -0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.582 -18.114 0.599 1.00 0.00 H new ATOM 1290 N ARG A 94 6.454 -15.941 -4.382 1.00 0.00 N ATOM 1291 CA ARG A 94 5.886 -15.745 -5.705 1.00 0.00 C ATOM 1292 C ARG A 94 6.846 -16.266 -6.777 1.00 0.00 C ATOM 1293 O ARG A 94 7.988 -16.611 -6.477 1.00 0.00 O ATOM 1294 CB ARG A 94 5.595 -14.266 -5.967 1.00 0.00 C ATOM 1295 CG ARG A 94 6.884 -13.442 -5.948 1.00 0.00 C ATOM 1296 CD ARG A 94 6.593 -11.978 -5.610 1.00 0.00 C ATOM 1297 NE ARG A 94 6.385 -11.826 -4.153 1.00 0.00 N ATOM 1298 CZ ARG A 94 7.384 -11.706 -3.254 1.00 0.00 C ATOM 1299 NH1 ARG A 94 8.672 -11.719 -3.656 1.00 0.00 N ATOM 1300 NH2 ARG A 94 7.082 -11.576 -1.975 1.00 0.00 N ATOM 0 H ARG A 94 7.464 -15.809 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 94 4.949 -16.301 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.102 -14.154 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.906 -13.888 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.575 -13.858 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.374 -13.504 -6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.422 -11.350 -5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.708 -11.641 -6.149 1.00 0.00 H new ATOM 0 HE ARG A 94 5.426 -11.811 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.896 -11.820 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.421 -11.628 -2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.106 -11.567 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.825 -11.484 -1.282 1.00 0.00 H new ATOM 1310 N SER A 95 6.347 -16.307 -8.004 1.00 0.00 N ATOM 1311 CA SER A 95 7.146 -16.780 -9.121 1.00 0.00 C ATOM 1312 C SER A 95 7.994 -17.977 -8.688 1.00 0.00 C ATOM 1313 O SER A 95 7.523 -18.843 -7.951 1.00 0.00 O ATOM 1314 CB SER A 95 8.040 -15.667 -9.669 1.00 0.00 C ATOM 1315 OG SER A 95 8.702 -16.055 -10.870 1.00 0.00 O ATOM 0 H SER A 95 5.399 -16.020 -8.249 1.00 0.00 H new ATOM 0 HA SER A 95 6.470 -17.091 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.438 -14.779 -9.858 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.782 -15.395 -8.918 1.00 0.00 H new ATOM 0 HG SER A 95 9.262 -15.316 -11.188 1.00 0.00 H new TER 1320 SER A 95