USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0878 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.064) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.8!) USER MOD Single : A 16 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.058) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= 0.743 (180deg=-1.41) USER MOD Single : A 26 SER OG : rot 146:sc= 0.227 USER MOD Single : A 27 SER OG : rot 56:sc= 1.03 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 177:sc= 0 (180deg=-0.0181) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.219 USER MOD Single : A 46 ASN : amide:sc= -4.09! C(o=-4.1!,f=-9.5!) USER MOD Single : A 52 THR OG1 : rot 35:sc= 1.5 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.118) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc=-0.00392 (180deg=-0.161) USER MOD Single : A 59 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.044) USER MOD Single : A 62 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.17) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc=-0.00938 X(o=-0.0094,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.196 7.587 29.426 1.00 1.00 N ATOM 2 CA MET A 1 -6.956 6.307 29.474 1.00 1.00 C ATOM 3 C MET A 1 -6.193 5.237 28.699 1.00 1.00 C ATOM 4 O MET A 1 -5.064 5.458 28.264 1.00 1.00 O ATOM 5 CB MET A 1 -8.339 6.514 28.854 1.00 1.00 C ATOM 6 CG MET A 1 -9.405 6.443 29.949 1.00 1.00 C ATOM 7 SD MET A 1 -11.025 6.829 29.240 1.00 1.00 S ATOM 8 CE MET A 1 -12.025 6.275 30.643 1.00 1.00 C ATOM 0 H1 MET A 1 -5.866 7.831 30.382 1.00 1.00 H new ATOM 0 H2 MET A 1 -5.377 7.481 28.793 1.00 1.00 H new ATOM 0 H3 MET A 1 -6.813 8.344 29.070 1.00 1.00 H new ATOM 0 HA MET A 1 -7.072 5.986 30.509 1.00 1.00 H new ATOM 0 HB2 MET A 1 -8.383 7.480 28.351 1.00 1.00 H new ATOM 0 HB3 MET A 1 -8.528 5.752 28.098 1.00 1.00 H new ATOM 0 HG2 MET A 1 -9.419 5.448 30.394 1.00 1.00 H new ATOM 0 HG3 MET A 1 -9.169 7.146 30.748 1.00 1.00 H new ATOM 0 HE1 MET A 1 -13.081 6.424 30.419 1.00 1.00 H new ATOM 0 HE2 MET A 1 -11.839 5.217 30.827 1.00 1.00 H new ATOM 0 HE3 MET A 1 -11.758 6.850 31.530 1.00 1.00 H new ATOM 20 N GLU A 2 -6.819 4.077 28.531 1.00 1.00 N ATOM 21 CA GLU A 2 -6.191 2.978 27.807 1.00 1.00 C ATOM 22 C GLU A 2 -7.131 1.780 27.726 1.00 1.00 C ATOM 23 O GLU A 2 -7.076 0.879 28.562 1.00 1.00 O ATOM 24 CB GLU A 2 -4.894 2.566 28.507 1.00 1.00 C ATOM 25 CG GLU A 2 -5.129 2.499 30.017 1.00 1.00 C ATOM 26 CD GLU A 2 -4.425 1.279 30.601 1.00 1.00 C ATOM 27 OE1 GLU A 2 -3.216 1.190 30.455 1.00 1.00 O ATOM 28 OE2 GLU A 2 -5.104 0.452 31.187 1.00 1.00 O ATOM 0 H GLU A 2 -7.754 3.874 28.884 1.00 1.00 H new ATOM 0 HA GLU A 2 -5.967 3.316 26.795 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.560 1.597 28.137 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.104 3.282 28.283 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -4.756 3.406 30.492 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -6.198 2.447 30.225 1.00 1.00 H new ATOM 35 N GLU A 3 -7.994 1.779 26.715 1.00 1.00 N ATOM 36 CA GLU A 3 -8.944 0.686 26.535 1.00 1.00 C ATOM 37 C GLU A 3 -9.045 0.302 25.063 1.00 1.00 C ATOM 38 O GLU A 3 -10.124 0.351 24.472 1.00 1.00 O ATOM 39 CB GLU A 3 -10.322 1.102 27.052 1.00 1.00 C ATOM 40 CG GLU A 3 -10.351 0.986 28.578 1.00 1.00 C ATOM 41 CD GLU A 3 -10.721 -0.435 28.986 1.00 1.00 C ATOM 42 OE1 GLU A 3 -9.975 -1.340 28.650 1.00 1.00 O ATOM 43 OE2 GLU A 3 -11.744 -0.599 29.630 1.00 1.00 O ATOM 0 H GLU A 3 -8.056 2.516 26.013 1.00 1.00 H new ATOM 0 HA GLU A 3 -8.590 -0.176 27.100 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -10.541 2.126 26.750 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -11.093 0.468 26.614 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -9.377 1.249 28.989 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -11.072 1.691 28.991 1.00 1.00 H new ATOM 50 N GLY A 4 -7.915 -0.080 24.477 1.00 1.00 N ATOM 51 CA GLY A 4 -7.889 -0.471 23.072 1.00 1.00 C ATOM 52 C GLY A 4 -6.460 -0.503 22.542 1.00 1.00 C ATOM 53 O GLY A 4 -5.947 -1.561 22.176 1.00 1.00 O ATOM 0 H GLY A 4 -7.012 -0.127 24.949 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -8.346 -1.454 22.955 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -8.483 0.229 22.485 1.00 1.00 H new ATOM 57 N GLY A 5 -5.822 0.662 22.503 1.00 1.00 N ATOM 58 CA GLY A 5 -4.450 0.755 22.015 1.00 1.00 C ATOM 59 C GLY A 5 -4.414 1.306 20.594 1.00 1.00 C ATOM 60 O GLY A 5 -5.402 1.228 19.863 1.00 1.00 O ATOM 0 H GLY A 5 -6.229 1.549 22.801 1.00 1.00 H new ATOM 0 HA2 GLY A 5 -3.868 1.400 22.674 1.00 1.00 H new ATOM 0 HA3 GLY A 5 -3.984 -0.230 22.039 1.00 1.00 H new ATOM 64 N ASP A 6 -3.270 1.860 20.208 1.00 1.00 N ATOM 65 CA ASP A 6 -3.116 2.420 18.871 1.00 1.00 C ATOM 66 C ASP A 6 -1.648 2.424 18.457 1.00 1.00 C ATOM 67 O ASP A 6 -1.019 3.480 18.374 1.00 1.00 O ATOM 68 CB ASP A 6 -3.662 3.849 18.837 1.00 1.00 C ATOM 69 CG ASP A 6 -3.761 4.335 17.395 1.00 1.00 C ATOM 70 OD1 ASP A 6 -4.067 3.524 16.538 1.00 1.00 O ATOM 71 OD2 ASP A 6 -3.530 5.512 17.171 1.00 1.00 O ATOM 0 H ASP A 6 -2.441 1.933 20.798 1.00 1.00 H new ATOM 0 HA ASP A 6 -3.677 1.800 18.171 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -4.644 3.883 19.309 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -3.010 4.510 19.408 1.00 1.00 H new ATOM 76 N PHE A 7 -1.107 1.238 18.200 1.00 1.00 N ATOM 77 CA PHE A 7 0.288 1.117 17.795 1.00 1.00 C ATOM 78 C PHE A 7 0.533 1.858 16.484 1.00 1.00 C ATOM 79 O PHE A 7 -0.274 1.783 15.558 1.00 1.00 O ATOM 80 CB PHE A 7 0.657 -0.358 17.626 1.00 1.00 C ATOM 81 CG PHE A 7 -0.563 -1.137 17.196 1.00 1.00 C ATOM 82 CD1 PHE A 7 -0.852 -1.292 15.835 1.00 1.00 C ATOM 83 CD2 PHE A 7 -1.407 -1.703 18.159 1.00 1.00 C ATOM 84 CE1 PHE A 7 -1.983 -2.014 15.437 1.00 1.00 C ATOM 85 CE2 PHE A 7 -2.540 -2.423 17.762 1.00 1.00 C ATOM 86 CZ PHE A 7 -2.827 -2.580 16.400 1.00 1.00 C ATOM 0 H PHE A 7 -1.609 0.353 18.264 1.00 1.00 H new ATOM 0 HA PHE A 7 0.911 1.561 18.571 1.00 1.00 H new ATOM 0 HB2 PHE A 7 1.449 -0.463 16.884 1.00 1.00 H new ATOM 0 HB3 PHE A 7 1.044 -0.757 18.564 1.00 1.00 H new ATOM 0 HD1 PHE A 7 -0.202 -0.854 15.092 1.00 1.00 H new ATOM 0 HD2 PHE A 7 -1.184 -1.584 19.209 1.00 1.00 H new ATOM 0 HE1 PHE A 7 -2.205 -2.135 14.387 1.00 1.00 H new ATOM 0 HE2 PHE A 7 -3.192 -2.857 18.505 1.00 1.00 H new ATOM 0 HZ PHE A 7 -3.699 -3.138 16.093 1.00 1.00 H new ATOM 96 N ASP A 8 1.651 2.574 16.414 1.00 1.00 N ATOM 97 CA ASP A 8 1.991 3.325 15.213 1.00 1.00 C ATOM 98 C ASP A 8 3.505 3.395 15.034 1.00 1.00 C ATOM 99 O ASP A 8 4.055 4.450 14.720 1.00 1.00 O ATOM 100 CB ASP A 8 1.421 4.741 15.303 1.00 1.00 C ATOM 101 CG ASP A 8 -0.097 4.702 15.160 1.00 1.00 C ATOM 102 OD1 ASP A 8 -0.740 4.133 16.027 1.00 1.00 O ATOM 103 OD2 ASP A 8 -0.595 5.242 14.185 1.00 1.00 O ATOM 0 H ASP A 8 2.332 2.649 17.170 1.00 1.00 H new ATOM 0 HA ASP A 8 1.558 2.813 14.354 1.00 1.00 H new ATOM 0 HB2 ASP A 8 1.693 5.192 16.257 1.00 1.00 H new ATOM 0 HB3 ASP A 8 1.852 5.366 14.521 1.00 1.00 H new ATOM 108 N ASN A 9 4.171 2.264 15.237 1.00 1.00 N ATOM 109 CA ASN A 9 5.622 2.208 15.096 1.00 1.00 C ATOM 110 C ASN A 9 6.046 0.904 14.428 1.00 1.00 C ATOM 111 O ASN A 9 7.014 0.268 14.843 1.00 1.00 O ATOM 112 CB ASN A 9 6.285 2.317 16.471 1.00 1.00 C ATOM 113 CG ASN A 9 7.629 3.028 16.347 1.00 1.00 C ATOM 114 OD1 ASN A 9 8.651 2.508 16.793 1.00 1.00 O ATOM 115 ND2 ASN A 9 7.687 4.194 15.764 1.00 1.00 N ATOM 0 H ASN A 9 3.734 1.380 15.498 1.00 1.00 H new ATOM 0 HA ASN A 9 5.940 3.043 14.472 1.00 1.00 H new ATOM 0 HB2 ASN A 9 5.636 2.865 17.154 1.00 1.00 H new ATOM 0 HB3 ASN A 9 6.428 1.323 16.895 1.00 1.00 H new ATOM 0 HD21 ASN A 9 8.581 4.677 15.677 1.00 1.00 H new ATOM 0 HD22 ASN A 9 6.838 4.623 15.395 1.00 1.00 H new ATOM 122 N TYR A 10 5.315 0.514 13.388 1.00 1.00 N ATOM 123 CA TYR A 10 5.626 -0.716 12.669 1.00 1.00 C ATOM 124 C TYR A 10 7.070 -0.701 12.180 1.00 1.00 C ATOM 125 O TYR A 10 7.620 0.356 11.871 1.00 1.00 O ATOM 126 CB TYR A 10 4.682 -0.874 11.475 1.00 1.00 C ATOM 127 CG TYR A 10 3.678 -1.964 11.765 1.00 1.00 C ATOM 128 CD1 TYR A 10 2.583 -1.704 12.597 1.00 1.00 C ATOM 129 CD2 TYR A 10 3.844 -3.236 11.204 1.00 1.00 C ATOM 130 CE1 TYR A 10 1.653 -2.715 12.868 1.00 1.00 C ATOM 131 CE2 TYR A 10 2.915 -4.247 11.474 1.00 1.00 C ATOM 132 CZ TYR A 10 1.818 -3.986 12.306 1.00 1.00 C ATOM 133 OH TYR A 10 0.902 -4.983 12.572 1.00 1.00 O ATOM 0 H TYR A 10 4.510 1.027 13.027 1.00 1.00 H new ATOM 0 HA TYR A 10 5.495 -1.557 13.350 1.00 1.00 H new ATOM 0 HB2 TYR A 10 4.167 0.066 11.279 1.00 1.00 H new ATOM 0 HB3 TYR A 10 5.251 -1.119 10.578 1.00 1.00 H new ATOM 0 HD1 TYR A 10 2.455 -0.723 13.030 1.00 1.00 H new ATOM 0 HD2 TYR A 10 4.689 -3.437 10.563 1.00 1.00 H new ATOM 0 HE1 TYR A 10 0.809 -2.514 13.511 1.00 1.00 H new ATOM 0 HE2 TYR A 10 3.043 -5.228 11.041 1.00 1.00 H new ATOM 0 HH TYR A 10 1.165 -5.802 12.103 1.00 1.00 H new ATOM 143 N TYR A 11 7.678 -1.881 12.112 1.00 1.00 N ATOM 144 CA TYR A 11 9.060 -1.991 11.659 1.00 1.00 C ATOM 145 C TYR A 11 9.261 -1.221 10.359 1.00 1.00 C ATOM 146 O TYR A 11 8.696 -1.573 9.323 1.00 1.00 O ATOM 147 CB TYR A 11 9.423 -3.462 11.444 1.00 1.00 C ATOM 148 CG TYR A 11 9.969 -4.039 12.729 1.00 1.00 C ATOM 149 CD1 TYR A 11 11.294 -3.787 13.102 1.00 1.00 C ATOM 150 CD2 TYR A 11 9.149 -4.826 13.546 1.00 1.00 C ATOM 151 CE1 TYR A 11 11.800 -4.321 14.292 1.00 1.00 C ATOM 152 CE2 TYR A 11 9.655 -5.362 14.736 1.00 1.00 C ATOM 153 CZ TYR A 11 10.980 -5.109 15.109 1.00 1.00 C ATOM 154 OH TYR A 11 11.479 -5.637 16.283 1.00 1.00 O ATOM 0 H TYR A 11 7.240 -2.768 12.362 1.00 1.00 H new ATOM 0 HA TYR A 11 9.708 -1.564 12.424 1.00 1.00 H new ATOM 0 HB2 TYR A 11 8.543 -4.022 11.126 1.00 1.00 H new ATOM 0 HB3 TYR A 11 10.163 -3.553 10.649 1.00 1.00 H new ATOM 0 HD1 TYR A 11 11.926 -3.180 12.471 1.00 1.00 H new ATOM 0 HD2 TYR A 11 8.126 -5.020 13.258 1.00 1.00 H new ATOM 0 HE1 TYR A 11 12.822 -4.126 14.580 1.00 1.00 H new ATOM 0 HE2 TYR A 11 9.023 -5.971 15.366 1.00 1.00 H new ATOM 0 HH TYR A 11 10.780 -6.158 16.731 1.00 1.00 H new ATOM 164 N GLY A 12 10.069 -0.168 10.419 1.00 1.00 N ATOM 165 CA GLY A 12 10.337 0.647 9.239 1.00 1.00 C ATOM 166 C GLY A 12 11.223 1.837 9.589 1.00 1.00 C ATOM 167 O GLY A 12 10.781 2.985 9.548 1.00 1.00 O ATOM 0 H GLY A 12 10.547 0.140 11.266 1.00 1.00 H new ATOM 0 HA2 GLY A 12 10.822 0.039 8.475 1.00 1.00 H new ATOM 0 HA3 GLY A 12 9.397 1.001 8.815 1.00 1.00 H new ATOM 171 N ALA A 13 12.476 1.555 9.932 1.00 1.00 N ATOM 172 CA ALA A 13 13.416 2.613 10.287 1.00 1.00 C ATOM 173 C ALA A 13 14.850 2.095 10.231 1.00 1.00 C ATOM 174 O ALA A 13 15.620 2.268 11.176 1.00 1.00 O ATOM 175 CB ALA A 13 13.113 3.131 11.693 1.00 1.00 C ATOM 0 H ALA A 13 12.862 0.612 9.972 1.00 1.00 H new ATOM 0 HA ALA A 13 13.307 3.427 9.570 1.00 1.00 H new ATOM 0 HB1 ALA A 13 13.819 3.920 11.950 1.00 1.00 H new ATOM 0 HB2 ALA A 13 12.098 3.528 11.724 1.00 1.00 H new ATOM 0 HB3 ALA A 13 13.205 2.315 12.409 1.00 1.00 H new ATOM 181 N ASP A 14 15.201 1.458 9.119 1.00 1.00 N ATOM 182 CA ASP A 14 16.546 0.919 8.952 1.00 1.00 C ATOM 183 C ASP A 14 17.513 2.015 8.517 1.00 1.00 C ATOM 184 O ASP A 14 18.358 1.802 7.647 1.00 1.00 O ATOM 185 CB ASP A 14 16.535 -0.198 7.906 1.00 1.00 C ATOM 186 CG ASP A 14 16.003 0.333 6.581 1.00 1.00 C ATOM 187 OD1 ASP A 14 16.060 1.536 6.382 1.00 1.00 O ATOM 188 OD2 ASP A 14 15.545 -0.469 5.783 1.00 1.00 O ATOM 0 H ASP A 14 14.579 1.303 8.326 1.00 1.00 H new ATOM 0 HA ASP A 14 16.877 0.517 9.910 1.00 1.00 H new ATOM 0 HB2 ASP A 14 17.543 -0.591 7.771 1.00 1.00 H new ATOM 0 HB3 ASP A 14 15.914 -1.025 8.251 1.00 1.00 H new ATOM 193 N ASN A 15 17.383 3.188 9.127 1.00 1.00 N ATOM 194 CA ASN A 15 18.252 4.311 8.795 1.00 1.00 C ATOM 195 C ASN A 15 19.419 4.394 9.773 1.00 1.00 C ATOM 196 O ASN A 15 20.436 5.027 9.488 1.00 1.00 O ATOM 197 CB ASN A 15 17.455 5.617 8.837 1.00 1.00 C ATOM 198 CG ASN A 15 16.931 5.863 10.247 1.00 1.00 C ATOM 199 OD1 ASN A 15 17.715 6.038 11.180 1.00 1.00 O ATOM 200 ND2 ASN A 15 15.644 5.888 10.461 1.00 1.00 N ATOM 0 H ASN A 15 16.690 3.385 9.849 1.00 1.00 H new ATOM 0 HA ASN A 15 18.646 4.157 7.790 1.00 1.00 H new ATOM 0 HB2 ASN A 15 18.087 6.448 8.525 1.00 1.00 H new ATOM 0 HB3 ASN A 15 16.623 5.568 8.134 1.00 1.00 H new ATOM 0 HD21 ASN A 15 15.287 6.053 11.402 1.00 1.00 H new ATOM 0 HD22 ASN A 15 14.995 5.743 9.687 1.00 1.00 H new ATOM 207 N GLN A 16 19.266 3.749 10.925 1.00 1.00 N ATOM 208 CA GLN A 16 20.316 3.758 11.938 1.00 1.00 C ATOM 209 C GLN A 16 21.538 2.987 11.449 1.00 1.00 C ATOM 210 O GLN A 16 22.492 2.778 12.198 1.00 1.00 O ATOM 211 CB GLN A 16 19.797 3.126 13.232 1.00 1.00 C ATOM 212 CG GLN A 16 19.549 1.633 13.008 1.00 1.00 C ATOM 213 CD GLN A 16 18.262 1.209 13.709 1.00 1.00 C ATOM 214 OE1 GLN A 16 18.283 0.321 14.562 1.00 1.00 O ATOM 215 NE2 GLN A 16 17.138 1.792 13.398 1.00 1.00 N ATOM 0 H GLN A 16 18.433 3.218 11.179 1.00 1.00 H new ATOM 0 HA GLN A 16 20.604 4.792 12.128 1.00 1.00 H new ATOM 0 HB2 GLN A 16 20.521 3.269 14.034 1.00 1.00 H new ATOM 0 HB3 GLN A 16 18.875 3.616 13.544 1.00 1.00 H new ATOM 0 HG2 GLN A 16 19.478 1.423 11.941 1.00 1.00 H new ATOM 0 HG3 GLN A 16 20.390 1.054 13.391 1.00 1.00 H new ATOM 0 HE21 GLN A 16 17.123 2.527 12.691 1.00 1.00 H new ATOM 0 HE22 GLN A 16 16.273 1.513 13.862 1.00 1.00 H new ATOM 224 N SER A 17 21.502 2.568 10.188 1.00 1.00 N ATOM 225 CA SER A 17 22.613 1.822 9.609 1.00 1.00 C ATOM 226 C SER A 17 23.909 2.618 9.723 1.00 1.00 C ATOM 227 O SER A 17 24.109 3.601 9.010 1.00 1.00 O ATOM 228 CB SER A 17 22.327 1.516 8.139 1.00 1.00 C ATOM 229 OG SER A 17 23.288 0.585 7.658 1.00 1.00 O ATOM 0 H SER A 17 20.722 2.731 9.552 1.00 1.00 H new ATOM 0 HA SER A 17 22.724 0.887 10.159 1.00 1.00 H new ATOM 0 HB2 SER A 17 21.322 1.108 8.029 1.00 1.00 H new ATOM 0 HB3 SER A 17 22.365 2.433 7.551 1.00 1.00 H new ATOM 0 HG SER A 17 23.107 0.385 6.716 1.00 1.00 H new ATOM 235 N GLU A 18 24.786 2.185 10.622 1.00 1.00 N ATOM 236 CA GLU A 18 26.061 2.866 10.819 1.00 1.00 C ATOM 237 C GLU A 18 27.076 1.926 11.464 1.00 1.00 C ATOM 238 O GLU A 18 26.961 1.587 12.643 1.00 1.00 O ATOM 239 CB GLU A 18 25.865 4.095 11.709 1.00 1.00 C ATOM 240 CG GLU A 18 26.106 5.364 10.888 1.00 1.00 C ATOM 241 CD GLU A 18 25.737 6.594 11.709 1.00 1.00 C ATOM 242 OE1 GLU A 18 25.113 6.425 12.745 1.00 1.00 O ATOM 243 OE2 GLU A 18 26.085 7.686 11.292 1.00 1.00 O ATOM 0 H GLU A 18 24.640 1.373 11.221 1.00 1.00 H new ATOM 0 HA GLU A 18 26.439 3.179 9.846 1.00 1.00 H new ATOM 0 HB2 GLU A 18 24.856 4.102 12.121 1.00 1.00 H new ATOM 0 HB3 GLU A 18 26.553 4.059 12.553 1.00 1.00 H new ATOM 0 HG2 GLU A 18 27.152 5.419 10.586 1.00 1.00 H new ATOM 0 HG3 GLU A 18 25.512 5.335 9.975 1.00 1.00 H new ATOM 250 N CYS A 19 28.068 1.510 10.684 1.00 1.00 N ATOM 251 CA CYS A 19 29.097 0.609 11.189 1.00 1.00 C ATOM 252 C CYS A 19 30.198 0.418 10.151 1.00 1.00 C ATOM 253 O CYS A 19 29.989 0.648 8.960 1.00 1.00 O ATOM 254 CB CYS A 19 28.480 -0.747 11.536 1.00 1.00 C ATOM 255 SG CYS A 19 27.662 -1.430 10.074 1.00 1.00 S ATOM 0 H CYS A 19 28.181 1.780 9.707 1.00 1.00 H new ATOM 0 HA CYS A 19 29.531 1.050 12.086 1.00 1.00 H new ATOM 0 HB2 CYS A 19 29.253 -1.431 11.886 1.00 1.00 H new ATOM 0 HB3 CYS A 19 27.762 -0.635 12.348 1.00 1.00 H new ATOM 0 HG CYS A 19 27.140 -2.583 10.368 1.00 1.00 H new ATOM 261 N GLU A 20 31.372 -0.002 10.611 1.00 1.00 N ATOM 262 CA GLU A 20 32.500 -0.221 9.713 1.00 1.00 C ATOM 263 C GLU A 20 33.059 1.110 9.221 1.00 1.00 C ATOM 264 O GLU A 20 33.965 1.144 8.389 1.00 1.00 O ATOM 265 CB GLU A 20 32.059 -1.064 8.516 1.00 1.00 C ATOM 266 CG GLU A 20 33.164 -2.059 8.155 1.00 1.00 C ATOM 267 CD GLU A 20 32.848 -2.729 6.823 1.00 1.00 C ATOM 268 OE1 GLU A 20 31.955 -2.256 6.141 1.00 1.00 O ATOM 269 OE2 GLU A 20 33.505 -3.707 6.505 1.00 1.00 O ATOM 0 H GLU A 20 31.567 -0.196 11.593 1.00 1.00 H new ATOM 0 HA GLU A 20 33.279 -0.750 10.262 1.00 1.00 H new ATOM 0 HB2 GLU A 20 31.139 -1.597 8.753 1.00 1.00 H new ATOM 0 HB3 GLU A 20 31.843 -0.419 7.664 1.00 1.00 H new ATOM 0 HG2 GLU A 20 34.123 -1.544 8.094 1.00 1.00 H new ATOM 0 HG3 GLU A 20 33.256 -2.812 8.937 1.00 1.00 H new ATOM 276 N TYR A 21 32.514 2.204 9.741 1.00 1.00 N ATOM 277 CA TYR A 21 32.967 3.533 9.349 1.00 1.00 C ATOM 278 C TYR A 21 34.010 4.055 10.330 1.00 1.00 C ATOM 279 O TYR A 21 34.751 4.989 10.026 1.00 1.00 O ATOM 280 CB TYR A 21 31.780 4.497 9.300 1.00 1.00 C ATOM 281 CG TYR A 21 32.276 5.915 9.447 1.00 1.00 C ATOM 282 CD1 TYR A 21 32.944 6.537 8.386 1.00 1.00 C ATOM 283 CD2 TYR A 21 32.070 6.608 10.646 1.00 1.00 C ATOM 284 CE1 TYR A 21 33.405 7.852 8.522 1.00 1.00 C ATOM 285 CE2 TYR A 21 32.530 7.923 10.784 1.00 1.00 C ATOM 286 CZ TYR A 21 33.197 8.545 9.721 1.00 1.00 C ATOM 287 OH TYR A 21 33.651 9.841 9.856 1.00 1.00 O ATOM 0 H TYR A 21 31.763 2.197 10.431 1.00 1.00 H new ATOM 0 HA TYR A 21 33.419 3.465 8.360 1.00 1.00 H new ATOM 0 HB2 TYR A 21 31.245 4.384 8.357 1.00 1.00 H new ATOM 0 HB3 TYR A 21 31.075 4.263 10.097 1.00 1.00 H new ATOM 0 HD1 TYR A 21 33.104 6.002 7.462 1.00 1.00 H new ATOM 0 HD2 TYR A 21 31.556 6.128 11.465 1.00 1.00 H new ATOM 0 HE1 TYR A 21 33.921 8.331 7.703 1.00 1.00 H new ATOM 0 HE2 TYR A 21 32.371 8.457 11.709 1.00 1.00 H new ATOM 0 HH TYR A 21 33.424 10.176 10.749 1.00 1.00 H new ATOM 297 N THR A 22 34.061 3.446 11.511 1.00 1.00 N ATOM 298 CA THR A 22 35.019 3.857 12.531 1.00 1.00 C ATOM 299 C THR A 22 36.235 2.937 12.528 1.00 1.00 C ATOM 300 O THR A 22 37.315 3.317 12.979 1.00 1.00 O ATOM 301 CB THR A 22 34.357 3.824 13.911 1.00 1.00 C ATOM 302 OG1 THR A 22 33.071 4.423 13.832 1.00 1.00 O ATOM 303 CG2 THR A 22 35.221 4.594 14.911 1.00 1.00 C ATOM 0 H THR A 22 33.455 2.672 11.784 1.00 1.00 H new ATOM 0 HA THR A 22 35.346 4.872 12.307 1.00 1.00 H new ATOM 0 HB THR A 22 34.256 2.790 14.242 1.00 1.00 H new ATOM 0 HG1 THR A 22 32.645 4.401 14.714 1.00 1.00 H new ATOM 0 HG21 THR A 22 34.749 4.570 15.893 1.00 1.00 H new ATOM 0 HG22 THR A 22 36.207 4.133 14.971 1.00 1.00 H new ATOM 0 HG23 THR A 22 35.323 5.628 14.583 1.00 1.00 H new ATOM 311 N ASP A 23 36.049 1.724 12.018 1.00 1.00 N ATOM 312 CA ASP A 23 37.139 0.756 11.962 1.00 1.00 C ATOM 313 C ASP A 23 37.958 0.943 10.688 1.00 1.00 C ATOM 314 O ASP A 23 39.004 0.317 10.514 1.00 1.00 O ATOM 315 CB ASP A 23 36.575 -0.665 12.005 1.00 1.00 C ATOM 316 CG ASP A 23 36.900 -1.394 10.705 1.00 1.00 C ATOM 317 OD1 ASP A 23 37.966 -1.982 10.628 1.00 1.00 O ATOM 318 OD2 ASP A 23 36.077 -1.354 9.805 1.00 1.00 O ATOM 0 H ASP A 23 35.162 1.390 11.641 1.00 1.00 H new ATOM 0 HA ASP A 23 37.788 0.916 12.823 1.00 1.00 H new ATOM 0 HB2 ASP A 23 36.997 -1.207 12.851 1.00 1.00 H new ATOM 0 HB3 ASP A 23 35.496 -0.633 12.154 1.00 1.00 H new ATOM 323 N TRP A 24 37.477 1.808 9.802 1.00 1.00 N ATOM 324 CA TRP A 24 38.175 2.070 8.548 1.00 1.00 C ATOM 325 C TRP A 24 39.578 2.612 8.815 1.00 1.00 C ATOM 326 O TRP A 24 39.736 3.704 9.360 1.00 1.00 O ATOM 327 CB TRP A 24 37.376 3.064 7.695 1.00 1.00 C ATOM 328 CG TRP A 24 37.504 4.447 8.253 1.00 1.00 C ATOM 329 CD1 TRP A 24 37.360 4.779 9.557 1.00 1.00 C ATOM 330 CD2 TRP A 24 37.794 5.687 7.545 1.00 1.00 C ATOM 331 NE1 TRP A 24 37.545 6.143 9.694 1.00 1.00 N ATOM 332 CE2 TRP A 24 37.815 6.747 8.482 1.00 1.00 C ATOM 333 CE3 TRP A 24 38.041 5.991 6.194 1.00 1.00 C ATOM 334 CZ2 TRP A 24 38.070 8.062 8.092 1.00 1.00 C ATOM 335 CZ3 TRP A 24 38.297 7.314 5.799 1.00 1.00 C ATOM 336 CH2 TRP A 24 38.312 8.347 6.746 1.00 1.00 C ATOM 0 H TRP A 24 36.613 2.336 9.927 1.00 1.00 H new ATOM 0 HA TRP A 24 38.267 1.131 8.002 1.00 1.00 H new ATOM 0 HB2 TRP A 24 37.738 3.044 6.667 1.00 1.00 H new ATOM 0 HB3 TRP A 24 36.327 2.770 7.669 1.00 1.00 H new ATOM 0 HD1 TRP A 24 37.137 4.091 10.359 1.00 1.00 H new ATOM 0 HE1 TRP A 24 37.489 6.642 10.582 1.00 1.00 H new ATOM 0 HE3 TRP A 24 38.034 5.202 5.456 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 38.080 8.854 8.826 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 38.484 7.537 4.759 1.00 1.00 H new ATOM 0 HH2 TRP A 24 38.510 9.362 6.436 1.00 1.00 H new ATOM 347 N LYS A 25 40.581 1.823 8.422 1.00 1.00 N ATOM 348 CA LYS A 25 41.996 2.179 8.601 1.00 1.00 C ATOM 349 C LYS A 25 42.196 3.226 9.691 1.00 1.00 C ATOM 350 O LYS A 25 42.883 4.227 9.488 1.00 1.00 O ATOM 351 CB LYS A 25 42.588 2.683 7.282 1.00 1.00 C ATOM 352 CG LYS A 25 41.956 4.022 6.887 1.00 1.00 C ATOM 353 CD LYS A 25 41.437 3.932 5.452 1.00 1.00 C ATOM 354 CE LYS A 25 40.998 5.319 4.978 1.00 1.00 C ATOM 355 NZ LYS A 25 39.921 5.176 3.957 1.00 1.00 N ATOM 0 H LYS A 25 40.438 0.919 7.971 1.00 1.00 H new ATOM 0 HA LYS A 25 42.516 1.274 8.915 1.00 1.00 H new ATOM 0 HB2 LYS A 25 43.667 2.799 7.382 1.00 1.00 H new ATOM 0 HB3 LYS A 25 42.418 1.948 6.496 1.00 1.00 H new ATOM 0 HG2 LYS A 25 41.140 4.266 7.567 1.00 1.00 H new ATOM 0 HG3 LYS A 25 42.691 4.823 6.971 1.00 1.00 H new ATOM 0 HD2 LYS A 25 42.216 3.542 4.797 1.00 1.00 H new ATOM 0 HD3 LYS A 25 40.599 3.237 5.400 1.00 1.00 H new ATOM 0 HE2 LYS A 25 40.638 5.907 5.822 1.00 1.00 H new ATOM 0 HE3 LYS A 25 41.847 5.856 4.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 40.232 5.606 3.062 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 39.719 4.167 3.805 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 39.060 5.655 4.291 1.00 1.00 H new ATOM 369 N SER A 26 41.589 2.986 10.847 1.00 1.00 N ATOM 370 CA SER A 26 41.702 3.912 11.967 1.00 1.00 C ATOM 371 C SER A 26 42.921 3.573 12.819 1.00 1.00 C ATOM 372 O SER A 26 43.395 4.400 13.598 1.00 1.00 O ATOM 373 CB SER A 26 40.442 3.848 12.829 1.00 1.00 C ATOM 374 OG SER A 26 39.721 5.066 12.698 1.00 1.00 O ATOM 0 H SER A 26 41.016 2.163 11.033 1.00 1.00 H new ATOM 0 HA SER A 26 41.817 4.920 11.570 1.00 1.00 H new ATOM 0 HB2 SER A 26 39.819 3.008 12.521 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.709 3.681 13.872 1.00 1.00 H new ATOM 0 HG SER A 26 38.759 4.883 12.745 1.00 1.00 H new ATOM 380 N SER A 27 43.423 2.352 12.665 1.00 1.00 N ATOM 381 CA SER A 27 44.587 1.913 13.427 1.00 1.00 C ATOM 382 C SER A 27 44.713 0.393 13.383 1.00 1.00 C ATOM 383 O SER A 27 45.794 -0.156 13.593 1.00 1.00 O ATOM 384 CB SER A 27 44.467 2.374 14.879 1.00 1.00 C ATOM 385 OG SER A 27 45.119 3.628 15.029 1.00 1.00 O ATOM 0 H SER A 27 43.046 1.653 12.025 1.00 1.00 H new ATOM 0 HA SER A 27 45.477 2.354 12.979 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.417 2.461 15.159 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.915 1.636 15.545 1.00 1.00 H new ATOM 0 HG SER A 27 44.742 4.271 14.393 1.00 1.00 H new ATOM 391 N GLY A 28 43.600 -0.280 13.109 1.00 1.00 N ATOM 392 CA GLY A 28 43.596 -1.737 13.040 1.00 1.00 C ATOM 393 C GLY A 28 42.372 -2.312 13.743 1.00 1.00 C ATOM 394 O GLY A 28 42.168 -3.527 13.759 1.00 1.00 O ATOM 0 H GLY A 28 42.695 0.156 12.932 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.605 -2.056 11.998 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.503 -2.129 13.501 1.00 1.00 H new ATOM 398 N ALA A 29 41.561 -1.434 14.324 1.00 1.00 N ATOM 399 CA ALA A 29 40.359 -1.869 15.027 1.00 1.00 C ATOM 400 C ALA A 29 40.720 -2.459 16.386 1.00 1.00 C ATOM 401 O ALA A 29 40.075 -3.399 16.854 1.00 1.00 O ATOM 402 CB ALA A 29 39.616 -2.914 14.194 1.00 1.00 C ATOM 0 H ALA A 29 41.712 -0.425 14.323 1.00 1.00 H new ATOM 0 HA ALA A 29 39.715 -1.003 15.179 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.720 -3.233 14.726 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.333 -2.481 13.235 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.264 -3.774 14.027 1.00 1.00 H new ATOM 408 N LEU A 30 41.752 -1.900 17.012 1.00 1.00 N ATOM 409 CA LEU A 30 42.197 -2.373 18.319 1.00 1.00 C ATOM 410 C LEU A 30 42.262 -1.216 19.310 1.00 1.00 C ATOM 411 O LEU A 30 42.106 -1.410 20.515 1.00 1.00 O ATOM 412 CB LEU A 30 43.578 -3.020 18.197 1.00 1.00 C ATOM 413 CG LEU A 30 43.437 -4.407 17.568 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.687 -4.724 16.744 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.277 -5.454 18.673 1.00 1.00 C ATOM 0 H LEU A 30 42.294 -1.122 16.637 1.00 1.00 H new ATOM 0 HA LEU A 30 41.481 -3.110 18.683 1.00 1.00 H new ATOM 0 HB2 LEU A 30 44.231 -2.397 17.586 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.042 -3.100 19.180 1.00 1.00 H new ATOM 0 HG LEU A 30 42.561 -4.424 16.920 1.00 1.00 H new ATOM 0 HD11 LEU A 30 44.586 -5.712 16.296 1.00 1.00 H new ATOM 0 HD12 LEU A 30 44.803 -3.979 15.957 1.00 1.00 H new ATOM 0 HD13 LEU A 30 45.564 -4.707 17.392 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.176 -6.443 18.226 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.153 -5.436 19.321 1.00 1.00 H new ATOM 0 HD23 LEU A 30 42.387 -5.230 19.261 1.00 1.00 H new ATOM 427 N ILE A 31 42.492 -0.013 18.793 1.00 1.00 N ATOM 428 CA ILE A 31 42.573 1.168 19.643 1.00 1.00 C ATOM 429 C ILE A 31 41.179 1.718 19.976 1.00 1.00 C ATOM 430 O ILE A 31 40.971 2.240 21.072 1.00 1.00 O ATOM 431 CB ILE A 31 43.422 2.252 18.963 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.905 1.995 19.263 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.022 3.638 19.483 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.306 2.678 20.575 1.00 1.00 C ATOM 0 H ILE A 31 42.624 0.168 17.798 1.00 1.00 H new ATOM 0 HA ILE A 31 43.048 0.874 20.579 1.00 1.00 H new ATOM 0 HB ILE A 31 43.254 2.218 17.887 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.089 0.923 19.332 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.520 2.372 18.446 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.630 4.399 18.994 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.970 3.819 19.264 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.182 3.682 20.560 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.360 2.488 20.777 1.00 1.00 H new ATOM 0 HD12 ILE A 31 45.140 3.752 20.492 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.703 2.280 21.391 1.00 1.00 H new ATOM 446 N PRO A 32 40.224 1.622 19.076 1.00 1.00 N ATOM 447 CA PRO A 32 38.843 2.134 19.331 1.00 1.00 C ATOM 448 C PRO A 32 38.209 1.478 20.555 1.00 1.00 C ATOM 449 O PRO A 32 37.310 2.041 21.178 1.00 1.00 O ATOM 450 CB PRO A 32 38.065 1.778 18.059 1.00 1.00 C ATOM 451 CG PRO A 32 39.097 1.537 17.009 1.00 1.00 C ATOM 452 CD PRO A 32 40.336 1.024 17.735 1.00 1.00 C ATOM 0 HA PRO A 32 38.842 3.203 19.542 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.448 0.893 18.212 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.395 2.588 17.771 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.745 0.809 16.278 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.318 2.454 16.464 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.351 -0.065 17.782 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.252 1.334 17.233 1.00 1.00 H new ATOM 460 N ALA A 33 38.689 0.285 20.893 1.00 1.00 N ATOM 461 CA ALA A 33 38.164 -0.440 22.045 1.00 1.00 C ATOM 462 C ALA A 33 38.430 0.335 23.330 1.00 1.00 C ATOM 463 O ALA A 33 37.597 0.355 24.238 1.00 1.00 O ATOM 464 CB ALA A 33 38.818 -1.820 22.134 1.00 1.00 C ATOM 0 H ALA A 33 39.434 -0.197 20.390 1.00 1.00 H new ATOM 0 HA ALA A 33 37.087 -0.556 21.920 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.421 -2.356 22.996 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.603 -2.384 21.226 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.896 -1.705 22.243 1.00 1.00 H new ATOM 470 N ILE A 34 39.594 0.972 23.401 1.00 1.00 N ATOM 471 CA ILE A 34 39.959 1.746 24.582 1.00 1.00 C ATOM 472 C ILE A 34 39.449 3.178 24.460 1.00 1.00 C ATOM 473 O ILE A 34 39.183 3.841 25.463 1.00 1.00 O ATOM 474 CB ILE A 34 41.479 1.757 24.749 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.943 0.396 25.273 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.876 2.849 25.745 1.00 1.00 C ATOM 477 CD1 ILE A 34 41.552 -0.695 24.276 1.00 1.00 C ATOM 0 H ILE A 34 40.296 0.968 22.661 1.00 1.00 H new ATOM 0 HA ILE A 34 39.501 1.281 25.455 1.00 1.00 H new ATOM 0 HB ILE A 34 41.949 1.956 23.786 1.00 1.00 H new ATOM 0 HG12 ILE A 34 43.023 0.400 25.419 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.491 0.195 26.244 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.959 2.857 25.864 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.545 3.819 25.373 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.407 2.651 26.709 1.00 1.00 H new ATOM 0 HD11 ILE A 34 41.882 -1.664 24.649 1.00 1.00 H new ATOM 0 HD12 ILE A 34 40.469 -0.704 24.152 1.00 1.00 H new ATOM 0 HD13 ILE A 34 42.025 -0.496 23.315 1.00 1.00 H new ATOM 489 N TYR A 35 39.311 3.648 23.224 1.00 1.00 N ATOM 490 CA TYR A 35 38.829 5.003 22.982 1.00 1.00 C ATOM 491 C TYR A 35 37.397 5.159 23.485 1.00 1.00 C ATOM 492 O TYR A 35 36.990 6.244 23.900 1.00 1.00 O ATOM 493 CB TYR A 35 38.884 5.317 21.486 1.00 1.00 C ATOM 494 CG TYR A 35 39.011 6.809 21.288 1.00 1.00 C ATOM 495 CD1 TYR A 35 37.862 7.605 21.214 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.277 7.395 21.179 1.00 1.00 C ATOM 497 CE1 TYR A 35 37.978 8.987 21.030 1.00 1.00 C ATOM 498 CE2 TYR A 35 40.394 8.778 20.995 1.00 1.00 C ATOM 499 CZ TYR A 35 39.245 9.575 20.921 1.00 1.00 C ATOM 500 OH TYR A 35 39.361 10.938 20.740 1.00 1.00 O ATOM 0 H TYR A 35 39.524 3.115 22.381 1.00 1.00 H new ATOM 0 HA TYR A 35 39.470 5.699 23.523 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.730 4.805 21.027 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.984 4.949 20.993 1.00 1.00 H new ATOM 0 HD1 TYR A 35 36.885 7.152 21.299 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.163 6.781 21.237 1.00 1.00 H new ATOM 0 HE1 TYR A 35 37.091 9.600 20.972 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.371 9.230 20.910 1.00 1.00 H new ATOM 0 HH TYR A 35 40.309 11.181 20.685 1.00 1.00 H new ATOM 510 N MET A 36 36.639 4.068 23.443 1.00 1.00 N ATOM 511 CA MET A 36 35.254 4.095 23.897 1.00 1.00 C ATOM 512 C MET A 36 35.189 4.039 25.420 1.00 1.00 C ATOM 513 O MET A 36 34.340 4.680 26.039 1.00 1.00 O ATOM 514 CB MET A 36 34.489 2.909 23.308 1.00 1.00 C ATOM 515 CG MET A 36 34.363 3.085 21.793 1.00 1.00 C ATOM 516 SD MET A 36 34.403 1.463 20.992 1.00 1.00 S ATOM 517 CE MET A 36 34.699 2.050 19.306 1.00 1.00 C ATOM 0 H MET A 36 36.957 3.161 23.102 1.00 1.00 H new ATOM 0 HA MET A 36 34.798 5.025 23.559 1.00 1.00 H new ATOM 0 HB2 MET A 36 35.009 1.978 23.535 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.500 2.840 23.760 1.00 1.00 H new ATOM 0 HG2 MET A 36 33.432 3.599 21.552 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.176 3.707 21.419 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.813 1.196 18.638 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.855 2.656 18.978 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.608 2.652 19.284 1.00 1.00 H new ATOM 527 N LEU A 37 36.091 3.268 26.017 1.00 1.00 N ATOM 528 CA LEU A 37 36.128 3.134 27.469 1.00 1.00 C ATOM 529 C LEU A 37 36.165 4.507 28.132 1.00 1.00 C ATOM 530 O LEU A 37 35.685 4.677 29.253 1.00 1.00 O ATOM 531 CB LEU A 37 37.359 2.328 27.888 1.00 1.00 C ATOM 532 CG LEU A 37 36.917 0.993 28.489 1.00 1.00 C ATOM 533 CD1 LEU A 37 38.144 0.116 28.743 1.00 1.00 C ATOM 534 CD2 LEU A 37 36.190 1.245 29.812 1.00 1.00 C ATOM 0 H LEU A 37 36.802 2.729 25.522 1.00 1.00 H new ATOM 0 HA LEU A 37 35.227 2.612 27.791 1.00 1.00 H new ATOM 0 HB2 LEU A 37 38.004 2.155 27.026 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.944 2.890 28.616 1.00 1.00 H new ATOM 0 HG LEU A 37 36.246 0.487 27.795 1.00 1.00 H new ATOM 0 HD11 LEU A 37 37.829 -0.835 29.171 1.00 1.00 H new ATOM 0 HD12 LEU A 37 38.664 -0.064 27.802 1.00 1.00 H new ATOM 0 HD13 LEU A 37 38.815 0.622 29.437 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.875 0.294 30.241 1.00 1.00 H new ATOM 0 HD22 LEU A 37 36.862 1.751 30.506 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.315 1.870 29.633 1.00 1.00 H new ATOM 546 N VAL A 38 36.736 5.481 27.433 1.00 1.00 N ATOM 547 CA VAL A 38 36.831 6.837 27.963 1.00 1.00 C ATOM 548 C VAL A 38 35.789 7.742 27.314 1.00 1.00 C ATOM 549 O VAL A 38 35.742 8.943 27.582 1.00 1.00 O ATOM 550 CB VAL A 38 38.229 7.401 27.706 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.525 8.517 28.711 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.265 6.287 27.866 1.00 1.00 C ATOM 0 H VAL A 38 37.138 5.359 26.504 1.00 1.00 H new ATOM 0 HA VAL A 38 36.645 6.800 29.036 1.00 1.00 H new ATOM 0 HB VAL A 38 38.276 7.802 26.694 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.522 8.918 28.526 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.788 9.312 28.599 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.477 8.117 29.724 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.262 6.688 27.683 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.215 5.887 28.879 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.057 5.491 27.151 1.00 1.00 H new ATOM 562 N PHE A 39 34.955 7.157 26.459 1.00 1.00 N ATOM 563 CA PHE A 39 33.915 7.920 25.774 1.00 1.00 C ATOM 564 C PHE A 39 32.550 7.645 26.395 1.00 1.00 C ATOM 565 O PHE A 39 31.536 8.187 25.953 1.00 1.00 O ATOM 566 CB PHE A 39 33.887 7.550 24.291 1.00 1.00 C ATOM 567 CG PHE A 39 33.341 8.709 23.492 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.128 9.848 23.284 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.048 8.644 22.959 1.00 1.00 C ATOM 570 CE1 PHE A 39 33.622 10.923 22.543 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.542 9.718 22.218 1.00 1.00 C ATOM 572 CZ PHE A 39 32.329 10.858 22.010 1.00 1.00 C ATOM 0 H PHE A 39 34.978 6.165 26.225 1.00 1.00 H new ATOM 0 HA PHE A 39 34.141 8.981 25.879 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.891 7.300 23.949 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.269 6.666 24.138 1.00 1.00 H new ATOM 0 HD1 PHE A 39 35.125 9.898 23.695 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.441 7.765 23.120 1.00 1.00 H new ATOM 0 HE1 PHE A 39 34.229 11.802 22.383 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.545 9.668 21.807 1.00 1.00 H new ATOM 0 HZ PHE A 39 31.938 11.687 21.438 1.00 1.00 H new ATOM 582 N LEU A 40 32.529 6.799 27.420 1.00 1.00 N ATOM 583 CA LEU A 40 31.279 6.460 28.092 1.00 1.00 C ATOM 584 C LEU A 40 31.496 6.324 29.595 1.00 1.00 C ATOM 585 O LEU A 40 30.552 6.419 30.379 1.00 1.00 O ATOM 586 CB LEU A 40 30.724 5.148 27.533 1.00 1.00 C ATOM 587 CG LEU A 40 31.745 4.029 27.744 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.296 3.140 28.905 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.847 3.186 26.470 1.00 1.00 C ATOM 0 H LEU A 40 33.356 6.339 27.801 1.00 1.00 H new ATOM 0 HA LEU A 40 30.564 7.263 27.912 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.786 4.897 28.029 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.503 5.258 26.471 1.00 1.00 H new ATOM 0 HG LEU A 40 32.718 4.464 27.974 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.024 2.343 29.055 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.220 3.738 29.813 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.323 2.705 28.675 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.574 2.388 26.619 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.874 2.752 26.242 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.166 3.817 25.641 1.00 1.00 H new ATOM 601 N LEU A 41 32.745 6.101 29.991 1.00 1.00 N ATOM 602 CA LEU A 41 33.073 5.953 31.405 1.00 1.00 C ATOM 603 C LEU A 41 32.316 6.981 32.240 1.00 1.00 C ATOM 604 O LEU A 41 31.958 6.721 33.389 1.00 1.00 O ATOM 605 CB LEU A 41 34.577 6.131 31.614 1.00 1.00 C ATOM 606 CG LEU A 41 35.190 4.807 32.074 1.00 1.00 C ATOM 607 CD1 LEU A 41 36.714 4.937 32.113 1.00 1.00 C ATOM 608 CD2 LEU A 41 34.673 4.466 33.473 1.00 1.00 C ATOM 0 H LEU A 41 33.541 6.019 29.359 1.00 1.00 H new ATOM 0 HA LEU A 41 32.779 4.953 31.725 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.047 6.459 30.687 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.762 6.907 32.357 1.00 1.00 H new ATOM 0 HG LEU A 41 34.910 4.016 31.379 1.00 1.00 H new ATOM 0 HD11 LEU A 41 37.151 3.994 32.441 1.00 1.00 H new ATOM 0 HD12 LEU A 41 37.084 5.182 31.117 1.00 1.00 H new ATOM 0 HD13 LEU A 41 36.994 5.728 32.809 1.00 1.00 H new ATOM 0 HD21 LEU A 41 35.109 3.523 33.802 1.00 1.00 H new ATOM 0 HD22 LEU A 41 34.954 5.258 34.168 1.00 1.00 H new ATOM 0 HD23 LEU A 41 33.587 4.374 33.447 1.00 1.00 H new ATOM 620 N GLY A 42 32.077 8.151 31.655 1.00 1.00 N ATOM 621 CA GLY A 42 31.362 9.212 32.355 1.00 1.00 C ATOM 622 C GLY A 42 31.655 10.571 31.728 1.00 1.00 C ATOM 623 O GLY A 42 31.962 11.535 32.428 1.00 1.00 O ATOM 0 H GLY A 42 32.365 8.387 30.706 1.00 1.00 H new ATOM 0 HA2 GLY A 42 30.290 9.016 32.323 1.00 1.00 H new ATOM 0 HA3 GLY A 42 31.654 9.221 33.405 1.00 1.00 H new ATOM 627 N THR A 43 31.557 10.639 30.404 1.00 1.00 N ATOM 628 CA THR A 43 31.813 11.886 29.693 1.00 1.00 C ATOM 629 C THR A 43 30.504 12.596 29.366 1.00 1.00 C ATOM 630 O THR A 43 30.374 13.804 29.565 1.00 1.00 O ATOM 631 CB THR A 43 32.579 11.601 28.399 1.00 1.00 C ATOM 632 OG1 THR A 43 32.855 12.827 27.735 1.00 1.00 O ATOM 633 CG2 THR A 43 31.737 10.705 27.492 1.00 1.00 C ATOM 0 H THR A 43 31.304 9.852 29.806 1.00 1.00 H new ATOM 0 HA THR A 43 32.412 12.532 30.335 1.00 1.00 H new ATOM 0 HB THR A 43 33.516 11.096 28.634 1.00 1.00 H new ATOM 0 HG1 THR A 43 33.347 12.647 26.907 1.00 1.00 H new ATOM 0 HG21 THR A 43 32.284 10.503 26.571 1.00 1.00 H new ATOM 0 HG22 THR A 43 31.527 9.765 28.003 1.00 1.00 H new ATOM 0 HG23 THR A 43 30.799 11.207 27.254 1.00 1.00 H new ATOM 641 N THR A 44 29.536 11.837 28.861 1.00 1.00 N ATOM 642 CA THR A 44 28.239 12.405 28.509 1.00 1.00 C ATOM 643 C THR A 44 27.218 12.132 29.610 1.00 1.00 C ATOM 644 O THR A 44 27.152 12.858 30.602 1.00 1.00 O ATOM 645 CB THR A 44 27.746 11.802 27.192 1.00 1.00 C ATOM 646 OG1 THR A 44 28.023 10.410 27.177 1.00 1.00 O ATOM 647 CG2 THR A 44 28.458 12.479 26.020 1.00 1.00 C ATOM 0 H THR A 44 29.623 10.836 28.687 1.00 1.00 H new ATOM 0 HA THR A 44 28.354 13.483 28.395 1.00 1.00 H new ATOM 0 HB THR A 44 26.671 11.959 27.100 1.00 1.00 H new ATOM 0 HG1 THR A 44 27.706 10.022 26.335 1.00 1.00 H new ATOM 0 HG21 THR A 44 28.106 12.048 25.083 1.00 1.00 H new ATOM 0 HG22 THR A 44 28.243 13.548 26.032 1.00 1.00 H new ATOM 0 HG23 THR A 44 29.533 12.324 26.109 1.00 1.00 H new ATOM 655 N GLY A 45 26.426 11.080 29.427 1.00 1.00 N ATOM 656 CA GLY A 45 25.411 10.720 30.410 1.00 1.00 C ATOM 657 C GLY A 45 25.853 9.516 31.232 1.00 1.00 C ATOM 658 O GLY A 45 26.314 9.660 32.365 1.00 1.00 O ATOM 0 H GLY A 45 26.467 10.466 28.613 1.00 1.00 H new ATOM 0 HA2 GLY A 45 25.222 11.566 31.070 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.472 10.495 29.904 1.00 1.00 H new ATOM 662 N ASN A 46 25.709 8.326 30.656 1.00 1.00 N ATOM 663 CA ASN A 46 26.096 7.102 31.346 1.00 1.00 C ATOM 664 C ASN A 46 25.519 7.076 32.758 1.00 1.00 C ATOM 665 O ASN A 46 26.061 7.696 33.672 1.00 1.00 O ATOM 666 CB ASN A 46 27.621 7.002 31.414 1.00 1.00 C ATOM 667 CG ASN A 46 28.243 7.655 30.185 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.226 8.386 30.299 1.00 1.00 O ATOM 669 ND2 ASN A 46 27.724 7.435 29.008 1.00 1.00 N ATOM 0 H ASN A 46 25.330 8.185 29.720 1.00 1.00 H new ATOM 0 HA ASN A 46 25.700 6.253 30.789 1.00 1.00 H new ATOM 0 HB2 ASN A 46 27.985 7.489 32.318 1.00 1.00 H new ATOM 0 HB3 ASN A 46 27.923 5.956 31.472 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.133 7.869 28.181 1.00 1.00 H new ATOM 0 HD22 ASN A 46 26.909 6.829 28.915 1.00 1.00 H new ATOM 676 N GLY A 47 24.415 6.355 32.927 1.00 1.00 N ATOM 677 CA GLY A 47 23.772 6.255 34.232 1.00 1.00 C ATOM 678 C GLY A 47 22.716 7.342 34.402 1.00 1.00 C ATOM 679 O GLY A 47 21.818 7.223 35.236 1.00 1.00 O ATOM 0 H GLY A 47 23.950 5.835 32.183 1.00 1.00 H new ATOM 0 HA2 GLY A 47 23.310 5.274 34.340 1.00 1.00 H new ATOM 0 HA3 GLY A 47 24.521 6.344 35.019 1.00 1.00 H new ATOM 683 N LEU A 48 22.828 8.400 33.606 1.00 1.00 N ATOM 684 CA LEU A 48 21.876 9.502 33.677 1.00 1.00 C ATOM 685 C LEU A 48 20.851 9.393 32.553 1.00 1.00 C ATOM 686 O LEU A 48 19.656 9.603 32.766 1.00 1.00 O ATOM 687 CB LEU A 48 22.619 10.839 33.573 1.00 1.00 C ATOM 688 CG LEU A 48 21.646 12.004 33.804 1.00 1.00 C ATOM 689 CD1 LEU A 48 21.096 11.960 35.233 1.00 1.00 C ATOM 690 CD2 LEU A 48 22.386 13.327 33.590 1.00 1.00 C ATOM 0 H LEU A 48 23.563 8.518 32.909 1.00 1.00 H new ATOM 0 HA LEU A 48 21.355 9.452 34.633 1.00 1.00 H new ATOM 0 HB2 LEU A 48 23.423 10.875 34.308 1.00 1.00 H new ATOM 0 HB3 LEU A 48 23.082 10.931 32.590 1.00 1.00 H new ATOM 0 HG LEU A 48 20.817 11.920 33.101 1.00 1.00 H new ATOM 0 HD11 LEU A 48 20.407 12.791 35.384 1.00 1.00 H new ATOM 0 HD12 LEU A 48 20.569 11.019 35.391 1.00 1.00 H new ATOM 0 HD13 LEU A 48 21.920 12.038 35.942 1.00 1.00 H new ATOM 0 HD21 LEU A 48 21.700 14.158 33.753 1.00 1.00 H new ATOM 0 HD22 LEU A 48 23.215 13.398 34.294 1.00 1.00 H new ATOM 0 HD23 LEU A 48 22.770 13.368 32.571 1.00 1.00 H new ATOM 702 N VAL A 49 21.325 9.064 31.356 1.00 1.00 N ATOM 703 CA VAL A 49 20.440 8.931 30.205 1.00 1.00 C ATOM 704 C VAL A 49 19.300 7.966 30.515 1.00 1.00 C ATOM 705 O VAL A 49 18.238 8.025 29.896 1.00 1.00 O ATOM 706 CB VAL A 49 21.229 8.420 28.997 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.266 8.138 27.841 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.243 9.482 28.566 1.00 1.00 C ATOM 0 H VAL A 49 22.310 8.886 31.158 1.00 1.00 H new ATOM 0 HA VAL A 49 20.020 9.911 29.977 1.00 1.00 H new ATOM 0 HB VAL A 49 21.753 7.503 29.266 1.00 1.00 H new ATOM 0 HG11 VAL A 49 20.827 7.774 26.980 1.00 1.00 H new ATOM 0 HG12 VAL A 49 19.541 7.384 28.147 1.00 1.00 H new ATOM 0 HG13 VAL A 49 19.743 9.055 27.571 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.806 9.120 27.706 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.718 10.398 28.296 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.929 9.686 29.389 1.00 1.00 H new ATOM 718 N LEU A 50 19.528 7.078 31.477 1.00 1.00 N ATOM 719 CA LEU A 50 18.513 6.104 31.861 1.00 1.00 C ATOM 720 C LEU A 50 17.493 6.737 32.804 1.00 1.00 C ATOM 721 O LEU A 50 16.311 6.398 32.773 1.00 1.00 O ATOM 722 CB LEU A 50 19.170 4.906 32.548 1.00 1.00 C ATOM 723 CG LEU A 50 20.211 4.289 31.613 1.00 1.00 C ATOM 724 CD1 LEU A 50 21.584 4.317 32.287 1.00 1.00 C ATOM 725 CD2 LEU A 50 19.825 2.841 31.304 1.00 1.00 C ATOM 0 H LEU A 50 20.400 7.013 32.002 1.00 1.00 H new ATOM 0 HA LEU A 50 18.000 5.768 30.960 1.00 1.00 H new ATOM 0 HB2 LEU A 50 19.643 5.221 33.478 1.00 1.00 H new ATOM 0 HB3 LEU A 50 18.415 4.164 32.809 1.00 1.00 H new ATOM 0 HG LEU A 50 20.250 4.861 30.686 1.00 1.00 H new ATOM 0 HD11 LEU A 50 22.326 3.877 31.620 1.00 1.00 H new ATOM 0 HD12 LEU A 50 21.860 5.348 32.507 1.00 1.00 H new ATOM 0 HD13 LEU A 50 21.546 3.746 33.214 1.00 1.00 H new ATOM 0 HD21 LEU A 50 20.567 2.401 30.638 1.00 1.00 H new ATOM 0 HD22 LEU A 50 19.786 2.269 32.231 1.00 1.00 H new ATOM 0 HD23 LEU A 50 18.847 2.820 30.823 1.00 1.00 H new ATOM 737 N TRP A 51 17.960 7.658 33.641 1.00 1.00 N ATOM 738 CA TRP A 51 17.080 8.331 34.588 1.00 1.00 C ATOM 739 C TRP A 51 15.899 8.968 33.864 1.00 1.00 C ATOM 740 O TRP A 51 14.794 9.039 34.400 1.00 1.00 O ATOM 741 CB TRP A 51 17.857 9.409 35.347 1.00 1.00 C ATOM 742 CG TRP A 51 17.231 10.744 35.099 1.00 1.00 C ATOM 743 CD1 TRP A 51 17.347 11.455 33.953 1.00 1.00 C ATOM 744 CD2 TRP A 51 16.395 11.536 35.991 1.00 1.00 C ATOM 745 NE1 TRP A 51 16.637 12.634 34.086 1.00 1.00 N ATOM 746 CE2 TRP A 51 16.032 12.731 35.324 1.00 1.00 C ATOM 747 CE3 TRP A 51 15.921 11.338 37.300 1.00 1.00 C ATOM 748 CZ2 TRP A 51 15.228 13.694 35.935 1.00 1.00 C ATOM 749 CZ3 TRP A 51 15.112 12.305 37.917 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.766 13.481 37.236 1.00 1.00 C ATOM 0 H TRP A 51 18.935 7.953 33.683 1.00 1.00 H new ATOM 0 HA TRP A 51 16.702 7.590 35.293 1.00 1.00 H new ATOM 0 HB2 TRP A 51 17.857 9.188 36.414 1.00 1.00 H new ATOM 0 HB3 TRP A 51 18.898 9.418 35.023 1.00 1.00 H new ATOM 0 HD1 TRP A 51 17.903 11.151 33.078 1.00 1.00 H new ATOM 0 HE1 TRP A 51 16.568 13.346 33.358 1.00 1.00 H new ATOM 0 HE3 TRP A 51 16.181 10.436 37.834 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.965 14.598 35.406 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 14.754 12.142 38.923 1.00 1.00 H new ATOM 0 HH2 TRP A 51 14.143 14.221 37.717 1.00 1.00 H new ATOM 761 N THR A 52 16.141 9.429 32.641 1.00 1.00 N ATOM 762 CA THR A 52 15.088 10.058 31.850 1.00 1.00 C ATOM 763 C THR A 52 14.088 9.015 31.362 1.00 1.00 C ATOM 764 O THR A 52 12.883 9.265 31.327 1.00 1.00 O ATOM 765 CB THR A 52 15.700 10.784 30.649 1.00 1.00 C ATOM 766 OG1 THR A 52 16.292 12.000 31.085 1.00 1.00 O ATOM 767 CG2 THR A 52 14.607 11.085 29.622 1.00 1.00 C ATOM 0 H THR A 52 17.049 9.380 32.179 1.00 1.00 H new ATOM 0 HA THR A 52 14.566 10.777 32.481 1.00 1.00 H new ATOM 0 HB THR A 52 16.461 10.153 30.191 1.00 1.00 H new ATOM 0 HG1 THR A 52 16.672 11.877 31.980 1.00 1.00 H new ATOM 0 HG21 THR A 52 15.043 11.602 28.767 1.00 1.00 H new ATOM 0 HG22 THR A 52 14.154 10.151 29.289 1.00 1.00 H new ATOM 0 HG23 THR A 52 13.844 11.717 30.077 1.00 1.00 H new ATOM 775 N VAL A 53 14.596 7.846 30.987 1.00 1.00 N ATOM 776 CA VAL A 53 13.738 6.771 30.502 1.00 1.00 C ATOM 777 C VAL A 53 12.742 6.354 31.580 1.00 1.00 C ATOM 778 O VAL A 53 11.553 6.181 31.307 1.00 1.00 O ATOM 779 CB VAL A 53 14.588 5.566 30.097 1.00 1.00 C ATOM 780 CG1 VAL A 53 13.675 4.433 29.625 1.00 1.00 C ATOM 781 CG2 VAL A 53 15.531 5.968 28.961 1.00 1.00 C ATOM 0 H VAL A 53 15.590 7.619 31.009 1.00 1.00 H new ATOM 0 HA VAL A 53 13.187 7.134 29.634 1.00 1.00 H new ATOM 0 HB VAL A 53 15.172 5.228 30.953 1.00 1.00 H new ATOM 0 HG11 VAL A 53 14.281 3.574 29.336 1.00 1.00 H new ATOM 0 HG12 VAL A 53 13.002 4.147 30.433 1.00 1.00 H new ATOM 0 HG13 VAL A 53 13.091 4.769 28.768 1.00 1.00 H new ATOM 0 HG21 VAL A 53 16.138 5.110 28.671 1.00 1.00 H new ATOM 0 HG22 VAL A 53 14.946 6.305 28.105 1.00 1.00 H new ATOM 0 HG23 VAL A 53 16.182 6.776 29.297 1.00 1.00 H new ATOM 791 N PHE A 54 13.234 6.195 32.804 1.00 1.00 N ATOM 792 CA PHE A 54 12.377 5.798 33.915 1.00 1.00 C ATOM 793 C PHE A 54 11.367 6.897 34.232 1.00 1.00 C ATOM 794 O PHE A 54 10.263 6.621 34.704 1.00 1.00 O ATOM 795 CB PHE A 54 13.228 5.511 35.154 1.00 1.00 C ATOM 796 CG PHE A 54 13.030 4.076 35.580 1.00 1.00 C ATOM 797 CD1 PHE A 54 11.835 3.687 36.196 1.00 1.00 C ATOM 798 CD2 PHE A 54 14.042 3.135 35.359 1.00 1.00 C ATOM 799 CE1 PHE A 54 11.651 2.356 36.590 1.00 1.00 C ATOM 800 CE2 PHE A 54 13.859 1.804 35.754 1.00 1.00 C ATOM 801 CZ PHE A 54 12.663 1.415 36.370 1.00 1.00 C ATOM 0 H PHE A 54 14.214 6.334 33.051 1.00 1.00 H new ATOM 0 HA PHE A 54 11.837 4.896 33.629 1.00 1.00 H new ATOM 0 HB2 PHE A 54 14.280 5.695 34.936 1.00 1.00 H new ATOM 0 HB3 PHE A 54 12.948 6.184 35.964 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.055 4.414 36.367 1.00 1.00 H new ATOM 0 HD2 PHE A 54 14.964 3.435 34.884 1.00 1.00 H new ATOM 0 HE1 PHE A 54 10.728 2.056 37.064 1.00 1.00 H new ATOM 0 HE2 PHE A 54 14.640 1.078 35.584 1.00 1.00 H new ATOM 0 HZ PHE A 54 12.522 0.389 36.675 1.00 1.00 H new ATOM 811 N ARG A 55 11.752 8.141 33.971 1.00 1.00 N ATOM 812 CA ARG A 55 10.871 9.274 34.231 1.00 1.00 C ATOM 813 C ARG A 55 9.696 9.274 33.259 1.00 1.00 C ATOM 814 O ARG A 55 8.539 9.171 33.668 1.00 1.00 O ATOM 815 CB ARG A 55 11.650 10.583 34.095 1.00 1.00 C ATOM 816 CG ARG A 55 12.628 10.722 35.263 1.00 1.00 C ATOM 817 CD ARG A 55 12.086 11.743 36.264 1.00 1.00 C ATOM 818 NE ARG A 55 10.684 11.471 36.555 1.00 1.00 N ATOM 819 CZ ARG A 55 10.106 11.940 37.656 1.00 1.00 C ATOM 820 NH1 ARG A 55 10.797 12.659 38.499 1.00 1.00 N ATOM 821 NH2 ARG A 55 8.850 11.682 37.895 1.00 1.00 N ATOM 0 H ARG A 55 12.662 8.390 33.582 1.00 1.00 H new ATOM 0 HA ARG A 55 10.486 9.185 35.247 1.00 1.00 H new ATOM 0 HB2 ARG A 55 12.192 10.599 33.150 1.00 1.00 H new ATOM 0 HB3 ARG A 55 10.962 11.428 34.082 1.00 1.00 H new ATOM 0 HG2 ARG A 55 12.768 9.757 35.751 1.00 1.00 H new ATOM 0 HG3 ARG A 55 13.605 11.039 34.897 1.00 1.00 H new ATOM 0 HD2 ARG A 55 12.669 11.705 37.184 1.00 1.00 H new ATOM 0 HD3 ARG A 55 12.192 12.750 35.860 1.00 1.00 H new ATOM 0 HE ARG A 55 10.137 10.911 35.902 1.00 1.00 H new ATOM 0 HH11 ARG A 55 11.779 12.860 38.312 1.00 1.00 H new ATOM 0 HH12 ARG A 55 10.354 13.019 39.344 1.00 1.00 H new ATOM 0 HH21 ARG A 55 8.311 11.120 37.237 1.00 1.00 H new ATOM 0 HH22 ARG A 55 8.407 12.042 38.740 1.00 1.00 H new ATOM 835 N LYS A 56 10.001 9.391 31.971 1.00 1.00 N ATOM 836 CA LYS A 56 8.961 9.403 30.948 1.00 1.00 C ATOM 837 C LYS A 56 7.969 8.268 31.179 1.00 1.00 C ATOM 838 O LYS A 56 6.759 8.489 31.236 1.00 1.00 O ATOM 839 CB LYS A 56 9.589 9.260 29.561 1.00 1.00 C ATOM 840 CG LYS A 56 10.689 10.310 29.388 1.00 1.00 C ATOM 841 CD LYS A 56 10.402 11.149 28.141 1.00 1.00 C ATOM 842 CE LYS A 56 11.470 12.233 27.998 1.00 1.00 C ATOM 843 NZ LYS A 56 11.224 13.309 28.998 1.00 1.00 N ATOM 0 H LYS A 56 10.952 9.478 31.612 1.00 1.00 H new ATOM 0 HA LYS A 56 8.430 10.353 31.009 1.00 1.00 H new ATOM 0 HB2 LYS A 56 10.004 8.260 29.440 1.00 1.00 H new ATOM 0 HB3 LYS A 56 8.828 9.385 28.791 1.00 1.00 H new ATOM 0 HG2 LYS A 56 10.736 10.951 30.268 1.00 1.00 H new ATOM 0 HG3 LYS A 56 11.660 9.823 29.296 1.00 1.00 H new ATOM 0 HD2 LYS A 56 10.394 10.513 27.256 1.00 1.00 H new ATOM 0 HD3 LYS A 56 9.414 11.604 28.216 1.00 1.00 H new ATOM 0 HE2 LYS A 56 12.461 11.804 28.146 1.00 1.00 H new ATOM 0 HE3 LYS A 56 11.450 12.647 26.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 11.816 14.134 28.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 10.222 13.585 28.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 11.462 12.961 29.948 1.00 1.00 H new ATOM 857 N LYS A 57 8.490 7.052 31.312 1.00 1.00 N ATOM 858 CA LYS A 57 7.639 5.888 31.537 1.00 1.00 C ATOM 859 C LYS A 57 7.129 5.868 32.974 1.00 1.00 C ATOM 860 O LYS A 57 7.349 4.903 33.707 1.00 1.00 O ATOM 861 CB LYS A 57 8.424 4.606 31.253 1.00 1.00 C ATOM 862 CG LYS A 57 8.517 4.387 29.742 1.00 1.00 C ATOM 863 CD LYS A 57 9.880 3.786 29.395 1.00 1.00 C ATOM 864 CE LYS A 57 9.943 3.495 27.895 1.00 1.00 C ATOM 865 NZ LYS A 57 9.117 2.295 27.586 1.00 1.00 N ATOM 0 H LYS A 57 9.488 6.848 31.268 1.00 1.00 H new ATOM 0 HA LYS A 57 6.785 5.948 30.862 1.00 1.00 H new ATOM 0 HB2 LYS A 57 9.423 4.676 31.683 1.00 1.00 H new ATOM 0 HB3 LYS A 57 7.933 3.755 31.725 1.00 1.00 H new ATOM 0 HG2 LYS A 57 7.720 3.722 29.411 1.00 1.00 H new ATOM 0 HG3 LYS A 57 8.381 5.333 29.218 1.00 1.00 H new ATOM 0 HD2 LYS A 57 10.676 4.476 29.676 1.00 1.00 H new ATOM 0 HD3 LYS A 57 10.039 2.868 29.961 1.00 1.00 H new ATOM 0 HE2 LYS A 57 9.580 4.354 27.332 1.00 1.00 H new ATOM 0 HE3 LYS A 57 10.976 3.327 27.590 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 9.342 1.956 26.629 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 9.323 1.545 28.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 8.109 2.545 27.636 1.00 1.00 H new ATOM 879 N GLY A 58 6.447 6.937 33.370 1.00 1.00 N ATOM 880 CA GLY A 58 5.909 7.031 34.722 1.00 1.00 C ATOM 881 C GLY A 58 4.483 6.495 34.779 1.00 1.00 C ATOM 882 O GLY A 58 4.175 5.456 34.196 1.00 1.00 O ATOM 0 H GLY A 58 6.254 7.745 32.779 1.00 1.00 H new ATOM 0 HA2 GLY A 58 6.541 6.468 35.409 1.00 1.00 H new ATOM 0 HA3 GLY A 58 5.925 8.070 35.053 1.00 1.00 H new ATOM 886 N HIS A 59 3.615 7.211 35.488 1.00 1.00 N ATOM 887 CA HIS A 59 2.223 6.798 35.616 1.00 1.00 C ATOM 888 C HIS A 59 1.291 7.995 35.466 1.00 1.00 C ATOM 889 O HIS A 59 0.745 8.239 34.390 1.00 1.00 O ATOM 890 CB HIS A 59 1.993 6.146 36.979 1.00 1.00 C ATOM 891 CG HIS A 59 1.977 4.651 36.824 1.00 1.00 C ATOM 892 ND1 HIS A 59 0.865 3.885 37.141 1.00 1.00 N ATOM 893 CD2 HIS A 59 2.929 3.763 36.387 1.00 1.00 C ATOM 894 CE1 HIS A 59 1.172 2.599 36.892 1.00 1.00 C ATOM 895 NE2 HIS A 59 2.419 2.469 36.430 1.00 1.00 N ATOM 0 H HIS A 59 3.849 8.074 35.979 1.00 1.00 H new ATOM 0 HA HIS A 59 2.007 6.079 34.826 1.00 1.00 H new ATOM 0 HB2 HIS A 59 2.780 6.442 37.673 1.00 1.00 H new ATOM 0 HB3 HIS A 59 1.049 6.488 37.403 1.00 1.00 H new ATOM 0 HD2 HIS A 59 3.923 4.029 36.059 1.00 1.00 H new ATOM 0 HE1 HIS A 59 0.494 1.773 37.047 1.00 1.00 H new ATOM 0 HE2 HIS A 59 2.895 1.606 36.166 1.00 1.00 H new ATOM 903 N HIS A 60 1.114 8.738 36.554 1.00 1.00 N ATOM 904 CA HIS A 60 0.249 9.906 36.537 1.00 1.00 C ATOM 905 C HIS A 60 0.895 11.067 37.285 1.00 1.00 C ATOM 906 O HIS A 60 0.239 12.061 37.595 1.00 1.00 O ATOM 907 CB HIS A 60 -1.099 9.569 37.178 1.00 1.00 C ATOM 908 CG HIS A 60 -2.045 9.067 36.123 1.00 1.00 C ATOM 909 ND1 HIS A 60 -2.824 9.923 35.362 1.00 1.00 N ATOM 910 CD2 HIS A 60 -2.350 7.800 35.693 1.00 1.00 C ATOM 911 CE1 HIS A 60 -3.553 9.169 34.519 1.00 1.00 C ATOM 912 NE2 HIS A 60 -3.302 7.866 34.679 1.00 1.00 N ATOM 0 H HIS A 60 1.557 8.551 37.453 1.00 1.00 H new ATOM 0 HA HIS A 60 0.094 10.202 35.499 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -0.967 8.813 37.952 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -1.514 10.453 37.663 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -1.917 6.890 36.082 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -4.255 9.568 33.801 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -3.718 7.087 34.168 1.00 1.00 H new ATOM 920 N HIS A 61 2.188 10.934 37.571 1.00 1.00 N ATOM 921 CA HIS A 61 2.915 11.977 38.283 1.00 1.00 C ATOM 922 C HIS A 61 2.133 12.440 39.510 1.00 1.00 C ATOM 923 O HIS A 61 1.206 13.242 39.402 1.00 1.00 O ATOM 924 CB HIS A 61 3.164 13.166 37.352 1.00 1.00 C ATOM 925 CG HIS A 61 4.467 13.823 37.715 1.00 1.00 C ATOM 926 ND1 HIS A 61 4.579 15.192 37.901 1.00 1.00 N ATOM 927 CD2 HIS A 61 5.724 13.312 37.930 1.00 1.00 C ATOM 928 CE1 HIS A 61 5.860 15.457 38.213 1.00 1.00 C ATOM 929 NE2 HIS A 61 6.601 14.346 38.244 1.00 1.00 N ATOM 0 H HIS A 61 2.749 10.119 37.322 1.00 1.00 H new ATOM 0 HA HIS A 61 3.870 11.567 38.613 1.00 1.00 H new ATOM 0 HB2 HIS A 61 3.190 12.830 36.315 1.00 1.00 H new ATOM 0 HB3 HIS A 61 2.347 13.883 37.434 1.00 1.00 H new ATOM 0 HD2 HIS A 61 5.991 12.267 37.865 1.00 1.00 H new ATOM 0 HE1 HIS A 61 6.243 16.447 38.414 1.00 1.00 H new ATOM 0 HE2 HIS A 61 7.597 14.271 38.453 1.00 1.00 H new ATOM 937 N HIS A 62 2.516 11.927 40.675 1.00 1.00 N ATOM 938 CA HIS A 62 1.846 12.293 41.914 1.00 1.00 C ATOM 939 C HIS A 62 2.757 12.043 43.111 1.00 1.00 C ATOM 940 O HIS A 62 2.689 10.991 43.747 1.00 1.00 O ATOM 941 CB HIS A 62 0.559 11.481 42.070 1.00 1.00 C ATOM 942 CG HIS A 62 -0.246 12.031 43.215 1.00 1.00 C ATOM 943 ND1 HIS A 62 -1.513 11.558 43.521 1.00 1.00 N ATOM 944 CD2 HIS A 62 0.019 13.013 44.137 1.00 1.00 C ATOM 945 CE1 HIS A 62 -1.958 12.249 44.586 1.00 1.00 C ATOM 946 NE2 HIS A 62 -1.063 13.149 45.001 1.00 1.00 N ATOM 0 H HIS A 62 3.281 11.262 40.785 1.00 1.00 H new ATOM 0 HA HIS A 62 1.603 13.355 41.874 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -0.023 11.522 41.149 1.00 1.00 H new ATOM 0 HB3 HIS A 62 0.797 10.433 42.250 1.00 1.00 H new ATOM 0 HD2 HIS A 62 0.929 13.592 44.184 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -2.922 12.095 45.049 1.00 1.00 H new ATOM 0 HE2 HIS A 62 -1.153 13.797 45.783 1.00 1.00 H new ATOM 954 N HIS A 63 3.610 13.017 43.413 1.00 1.00 N ATOM 955 CA HIS A 63 4.531 12.892 44.536 1.00 1.00 C ATOM 956 C HIS A 63 3.786 12.460 45.795 1.00 1.00 C ATOM 957 O HIS A 63 2.561 12.335 45.791 1.00 1.00 O ATOM 958 CB HIS A 63 5.231 14.228 44.789 1.00 1.00 C ATOM 959 CG HIS A 63 6.722 14.031 44.733 1.00 1.00 C ATOM 960 ND1 HIS A 63 7.527 14.160 45.854 1.00 1.00 N ATOM 961 CD2 HIS A 63 7.568 13.716 43.698 1.00 1.00 C ATOM 962 CE1 HIS A 63 8.795 13.925 45.471 1.00 1.00 C ATOM 963 NE2 HIS A 63 8.876 13.649 44.167 1.00 1.00 N ATOM 0 H HIS A 63 3.682 13.895 42.900 1.00 1.00 H new ATOM 0 HA HIS A 63 5.274 12.134 44.289 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.922 14.960 44.043 1.00 1.00 H new ATOM 0 HB3 HIS A 63 4.942 14.624 45.763 1.00 1.00 H new ATOM 0 HD2 HIS A 63 7.264 13.546 42.676 1.00 1.00 H new ATOM 0 HE1 HIS A 63 9.644 13.956 46.137 1.00 1.00 H new ATOM 0 HE2 HIS A 63 9.716 13.435 43.630 1.00 1.00 H new ATOM 971 N HIS A 64 4.533 12.233 46.871 1.00 1.00 N ATOM 972 CA HIS A 64 3.932 11.814 48.132 1.00 1.00 C ATOM 973 C HIS A 64 2.907 12.841 48.603 1.00 1.00 C ATOM 974 O HIS A 64 2.173 12.535 49.527 1.00 1.00 O ATOM 975 CB HIS A 64 5.017 11.646 49.197 1.00 1.00 C ATOM 976 CG HIS A 64 5.520 10.230 49.182 1.00 1.00 C ATOM 977 ND1 HIS A 64 5.743 9.536 48.002 1.00 1.00 N ATOM 978 CD2 HIS A 64 5.848 9.361 50.194 1.00 1.00 C ATOM 979 CE1 HIS A 64 6.185 8.309 48.330 1.00 1.00 C ATOM 980 NE2 HIS A 64 6.267 8.149 49.653 1.00 1.00 N ATOM 981 OXT HIS A 64 2.873 13.920 48.033 1.00 1.00 O ATOM 0 H HIS A 64 5.548 12.331 46.895 1.00 1.00 H new ATOM 0 HA HIS A 64 3.428 10.860 47.975 1.00 1.00 H new ATOM 0 HB2 HIS A 64 5.838 12.337 49.007 1.00 1.00 H new ATOM 0 HB3 HIS A 64 4.617 11.890 50.181 1.00 1.00 H new ATOM 0 HD2 HIS A 64 5.790 9.584 51.249 1.00 1.00 H new ATOM 0 HE1 HIS A 64 6.442 7.546 47.611 1.00 1.00 H new ATOM 0 HE2 HIS A 64 6.571 7.317 50.159 1.00 1.00 H new TER 989 HIS A 64