USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 831 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 43 ASN : amide:sc= -0.107 K(o=1.4,f=-0.7) USER MOD Set 1.2: A 76 ASN : amide:sc= 0.837 K(o=1.4,f=-0.14) USER MOD Set 1.3: A 77 ASN : amide:sc= 0.703 K(o=1.4,f=-1.6!) USER MOD Set 2.1: A 52 THR OG1 : rot -170:sc= 0.699 USER MOD Set 2.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 55 CYS SG : rot -3:sc= 0.787 USER MOD Set 3.1: A 37 GLN : amide:sc= 0.89 K(o=1.1,f=-0.75) USER MOD Set 3.2: A 45 LYS NZ :NH3+ -172:sc= 0.248 (180deg=0) USER MOD Single : A 2 MET CE :methyl -178:sc= 0 (180deg=-0.00775) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -0.01 (180deg=-0.147) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.0923 X(o=0.092,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 17:sc= 0.0181 USER MOD Single : A 41 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.2) USER MOD Single : A 42 ASN : amide:sc= -2.03! K(o=-2!,f=-0.79) USER MOD Single : A 48 MET CE :methyl -132:sc= 0 (180deg=-0.0685) USER MOD Single : A 49 THR OG1 : rot 81:sc= 0.986 USER MOD Single : A 50 MET CE :methyl -168:sc= -0.219 (180deg=-0.426) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -179:sc= 0 (180deg=-0.00214) USER MOD Single : A 63 SER OG : rot 69:sc= 1.24 USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 89 THR OG1 : rot 71:sc= 0.69 USER MOD Single : A 93 MET CE :methyl 171:sc= -0.054 (180deg=-0.274) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -108:sc= 1.76 (180deg=-0.545) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 2 16.988 -2.064 -19.755 1.00 0.00 N ATOM 2 CA MET A 2 17.966 -1.376 -18.901 1.00 0.00 C ATOM 3 C MET A 2 17.211 -0.752 -17.745 1.00 0.00 C ATOM 4 O MET A 2 16.457 0.198 -17.962 1.00 0.00 O ATOM 5 CB MET A 2 18.702 -0.264 -19.665 1.00 0.00 C ATOM 6 CG MET A 2 19.906 0.275 -18.881 1.00 0.00 C ATOM 7 SD MET A 2 20.476 1.942 -19.322 1.00 0.00 S ATOM 8 CE MET A 2 20.717 1.792 -21.114 1.00 0.00 C ATOM 0 HA MET A 2 18.708 -2.098 -18.560 1.00 0.00 H new ATOM 0 HB2 MET A 2 19.039 -0.648 -20.628 1.00 0.00 H new ATOM 0 HB3 MET A 2 18.010 0.552 -19.872 1.00 0.00 H new ATOM 0 HG2 MET A 2 19.653 0.270 -17.821 1.00 0.00 H new ATOM 0 HG3 MET A 2 20.738 -0.417 -19.014 1.00 0.00 H new ATOM 0 HE1 MET A 2 21.100 2.733 -21.510 1.00 0.00 H new ATOM 0 HE2 MET A 2 21.431 0.994 -21.320 1.00 0.00 H new ATOM 0 HE3 MET A 2 19.765 1.559 -21.591 1.00 0.00 H new ATOM 18 N SER A 3 17.410 -1.233 -16.523 1.00 0.00 N ATOM 19 CA SER A 3 16.968 -0.518 -15.343 1.00 0.00 C ATOM 20 C SER A 3 17.767 -1.017 -14.152 1.00 0.00 C ATOM 21 O SER A 3 18.312 -2.129 -14.168 1.00 0.00 O ATOM 22 CB SER A 3 15.457 -0.701 -15.143 1.00 0.00 C ATOM 23 OG SER A 3 14.998 0.169 -14.123 1.00 0.00 O ATOM 0 H SER A 3 17.877 -2.119 -16.329 1.00 0.00 H new ATOM 0 HA SER A 3 17.142 0.552 -15.457 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.930 -0.494 -16.074 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.239 -1.735 -14.877 1.00 0.00 H new ATOM 0 HG SER A 3 14.033 0.049 -14.001 1.00 0.00 H new ATOM 29 N LYS A 4 17.830 -0.169 -13.132 1.00 0.00 N ATOM 30 CA LYS A 4 18.308 -0.429 -11.789 1.00 0.00 C ATOM 31 C LYS A 4 17.883 0.752 -10.923 1.00 0.00 C ATOM 32 O LYS A 4 17.570 1.832 -11.431 1.00 0.00 O ATOM 33 CB LYS A 4 19.831 -0.619 -11.772 1.00 0.00 C ATOM 34 CG LYS A 4 20.604 0.515 -12.467 1.00 0.00 C ATOM 35 CD LYS A 4 22.088 0.504 -12.106 1.00 0.00 C ATOM 36 CE LYS A 4 22.285 1.090 -10.704 1.00 0.00 C ATOM 37 NZ LYS A 4 23.454 0.508 -10.027 1.00 0.00 N ATOM 0 H LYS A 4 17.521 0.797 -13.237 1.00 0.00 H new ATOM 0 HA LYS A 4 17.881 -1.354 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.167 -0.695 -10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.076 -1.564 -12.257 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.493 0.420 -13.547 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.170 1.474 -12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.473 -0.515 -12.142 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.654 1.084 -12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.408 2.171 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.392 0.910 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 23.553 0.930 -9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.326 -0.520 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.310 0.702 -10.584 1.00 0.00 H new ATOM 51 N LYS A 5 17.971 0.573 -9.608 1.00 0.00 N ATOM 52 CA LYS A 5 17.327 1.352 -8.566 1.00 0.00 C ATOM 53 C LYS A 5 15.825 1.502 -8.801 1.00 0.00 C ATOM 54 O LYS A 5 15.365 1.902 -9.864 1.00 0.00 O ATOM 55 CB LYS A 5 18.105 2.635 -8.250 1.00 0.00 C ATOM 56 CG LYS A 5 17.197 3.853 -8.020 1.00 0.00 C ATOM 57 CD LYS A 5 17.998 5.108 -7.676 1.00 0.00 C ATOM 58 CE LYS A 5 17.203 6.376 -8.000 1.00 0.00 C ATOM 59 NZ LYS A 5 17.122 6.616 -9.455 1.00 0.00 N ATOM 0 H LYS A 5 18.539 -0.179 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 5 17.372 0.793 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.716 2.472 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.788 2.849 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.603 4.036 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.498 3.637 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.258 5.099 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.934 5.110 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.197 6.289 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.672 7.233 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.841 7.602 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.051 6.439 -9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.417 5.976 -9.874 1.00 0.00 H new ATOM 73 N VAL A 6 15.073 1.199 -7.755 1.00 0.00 N ATOM 74 CA VAL A 6 13.628 1.320 -7.728 1.00 0.00 C ATOM 75 C VAL A 6 13.285 2.492 -6.787 1.00 0.00 C ATOM 76 O VAL A 6 14.102 2.859 -5.939 1.00 0.00 O ATOM 77 CB VAL A 6 13.040 -0.056 -7.343 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.569 -0.142 -7.790 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.760 -1.217 -8.034 1.00 0.00 C ATOM 0 H VAL A 6 15.464 0.853 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 6 13.178 1.565 -8.690 1.00 0.00 H new ATOM 0 HB VAL A 6 13.154 -0.139 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.161 -1.115 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.994 0.644 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.509 -0.016 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.307 -2.160 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.674 -1.107 -9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.813 -1.212 -7.752 1.00 0.00 H new ATOM 89 N THR A 7 12.125 3.124 -6.973 1.00 0.00 N ATOM 90 CA THR A 7 11.773 4.428 -6.413 1.00 0.00 C ATOM 91 C THR A 7 10.395 4.405 -5.766 1.00 0.00 C ATOM 92 O THR A 7 9.663 3.413 -5.836 1.00 0.00 O ATOM 93 CB THR A 7 11.771 5.435 -7.581 1.00 0.00 C ATOM 94 OG1 THR A 7 10.751 5.127 -8.513 1.00 0.00 O ATOM 95 CG2 THR A 7 13.098 5.454 -8.329 1.00 0.00 C ATOM 0 H THR A 7 11.377 2.725 -7.540 1.00 0.00 H new ATOM 0 HA THR A 7 12.492 4.702 -5.641 1.00 0.00 H new ATOM 0 HB THR A 7 11.598 6.414 -7.134 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.768 5.780 -9.244 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.047 6.178 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.898 5.734 -7.644 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.300 4.464 -8.737 1.00 0.00 H new ATOM 103 N LYS A 8 10.032 5.525 -5.134 1.00 0.00 N ATOM 104 CA LYS A 8 8.728 5.718 -4.526 1.00 0.00 C ATOM 105 C LYS A 8 7.624 5.802 -5.567 1.00 0.00 C ATOM 106 O LYS A 8 6.505 5.370 -5.296 1.00 0.00 O ATOM 107 CB LYS A 8 8.758 6.960 -3.624 1.00 0.00 C ATOM 108 CG LYS A 8 9.574 8.167 -4.122 1.00 0.00 C ATOM 109 CD LYS A 8 9.278 9.472 -3.368 1.00 0.00 C ATOM 110 CE LYS A 8 9.306 9.278 -1.845 1.00 0.00 C ATOM 111 NZ LYS A 8 9.150 10.549 -1.114 1.00 0.00 N ATOM 0 H LYS A 8 10.650 6.330 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 8 8.500 4.847 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.731 7.288 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.152 6.663 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.636 7.938 -4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.371 8.318 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.011 10.228 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.300 9.849 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.509 8.594 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.248 8.810 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.175 10.366 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.925 11.194 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.240 10.985 -1.365 1.00 0.00 H new ATOM 125 N GLU A 9 7.936 6.335 -6.746 1.00 0.00 N ATOM 126 CA GLU A 9 6.935 6.484 -7.797 1.00 0.00 C ATOM 127 C GLU A 9 6.481 5.109 -8.294 1.00 0.00 C ATOM 128 O GLU A 9 5.305 4.883 -8.581 1.00 0.00 O ATOM 129 CB GLU A 9 7.513 7.297 -8.967 1.00 0.00 C ATOM 130 CG GLU A 9 6.415 8.132 -9.635 1.00 0.00 C ATOM 131 CD GLU A 9 6.301 9.491 -8.945 1.00 0.00 C ATOM 132 OE1 GLU A 9 6.844 10.473 -9.502 1.00 0.00 O ATOM 133 OE2 GLU A 9 5.762 9.565 -7.817 1.00 0.00 O ATOM 0 H GLU A 9 8.867 6.668 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 9 6.075 7.014 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.307 7.951 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.962 6.625 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.643 8.269 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.462 7.606 -9.580 1.00 0.00 H new ATOM 141 N ASP A 10 7.437 4.182 -8.367 1.00 0.00 N ATOM 142 CA ASP A 10 7.240 2.835 -8.870 1.00 0.00 C ATOM 143 C ASP A 10 6.400 2.078 -7.885 1.00 0.00 C ATOM 144 O ASP A 10 5.445 1.413 -8.244 1.00 0.00 O ATOM 145 CB ASP A 10 8.577 2.105 -8.985 1.00 0.00 C ATOM 146 CG ASP A 10 8.635 1.357 -10.301 1.00 0.00 C ATOM 147 OD1 ASP A 10 9.443 1.798 -11.153 1.00 0.00 O ATOM 148 OD2 ASP A 10 7.857 0.406 -10.495 1.00 0.00 O ATOM 0 H ASP A 10 8.396 4.360 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 10 6.764 2.893 -9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.399 2.818 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.696 1.410 -8.154 1.00 0.00 H new ATOM 154 N VAL A 11 6.757 2.196 -6.612 1.00 0.00 N ATOM 155 CA VAL A 11 6.072 1.471 -5.549 1.00 0.00 C ATOM 156 C VAL A 11 4.585 1.836 -5.492 1.00 0.00 C ATOM 157 O VAL A 11 3.767 0.972 -5.182 1.00 0.00 O ATOM 158 CB VAL A 11 6.834 1.727 -4.246 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.120 1.271 -2.974 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.181 1.008 -4.335 1.00 0.00 C ATOM 0 H VAL A 11 7.521 2.790 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 11 6.075 0.398 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 11 6.931 2.809 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.741 1.497 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.168 1.794 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.941 0.197 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.744 1.175 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.015 -0.061 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.745 1.396 -5.183 1.00 0.00 H new ATOM 170 N LEU A 12 4.201 3.066 -5.847 1.00 0.00 N ATOM 171 CA LEU A 12 2.806 3.438 -5.984 1.00 0.00 C ATOM 172 C LEU A 12 2.226 2.693 -7.177 1.00 0.00 C ATOM 173 O LEU A 12 1.207 2.024 -7.049 1.00 0.00 O ATOM 174 CB LEU A 12 2.700 4.954 -6.184 1.00 0.00 C ATOM 175 CG LEU A 12 2.998 5.754 -4.907 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.365 7.199 -5.263 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.807 5.742 -3.941 1.00 0.00 C ATOM 0 H LEU A 12 4.854 3.824 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 12 2.247 3.172 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.393 5.260 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.697 5.199 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 12 3.841 5.277 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.574 7.757 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.248 7.203 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.534 7.666 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.056 6.318 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.939 6.185 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.579 4.715 -3.657 1.00 0.00 H new ATOM 189 N ASN A 13 2.881 2.780 -8.332 1.00 0.00 N ATOM 190 CA ASN A 13 2.398 2.153 -9.558 1.00 0.00 C ATOM 191 C ASN A 13 2.288 0.626 -9.435 1.00 0.00 C ATOM 192 O ASN A 13 1.347 0.022 -9.946 1.00 0.00 O ATOM 193 CB ASN A 13 3.332 2.551 -10.709 1.00 0.00 C ATOM 194 CG ASN A 13 2.584 3.438 -11.681 1.00 0.00 C ATOM 195 OD1 ASN A 13 1.857 2.949 -12.534 1.00 0.00 O ATOM 196 ND2 ASN A 13 2.703 4.748 -11.539 1.00 0.00 N ATOM 0 H ASN A 13 3.760 3.286 -8.444 1.00 0.00 H new ATOM 0 HA ASN A 13 1.387 2.509 -9.756 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.205 3.075 -10.319 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.697 1.660 -11.220 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.181 5.377 -12.150 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.317 5.129 -10.819 1.00 0.00 H new ATOM 203 N ALA A 14 3.193 -0.013 -8.695 1.00 0.00 N ATOM 204 CA ALA A 14 3.238 -1.454 -8.539 1.00 0.00 C ATOM 205 C ALA A 14 2.111 -1.911 -7.626 1.00 0.00 C ATOM 206 O ALA A 14 1.673 -3.054 -7.702 1.00 0.00 O ATOM 207 CB ALA A 14 4.584 -1.843 -7.931 1.00 0.00 C ATOM 0 H ALA A 14 3.927 0.472 -8.180 1.00 0.00 H new ATOM 0 HA ALA A 14 3.119 -1.932 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.629 -2.925 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.389 -1.518 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.696 -1.363 -6.959 1.00 0.00 H new ATOM 213 N LEU A 15 1.645 -1.022 -6.748 1.00 0.00 N ATOM 214 CA LEU A 15 0.539 -1.285 -5.856 1.00 0.00 C ATOM 215 C LEU A 15 -0.806 -0.950 -6.486 1.00 0.00 C ATOM 216 O LEU A 15 -1.828 -1.423 -5.999 1.00 0.00 O ATOM 217 CB LEU A 15 0.742 -0.512 -4.553 1.00 0.00 C ATOM 218 CG LEU A 15 1.799 -1.157 -3.648 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.135 -0.167 -2.538 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.315 -2.473 -3.029 1.00 0.00 C ATOM 0 H LEU A 15 2.039 -0.087 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 15 0.522 -2.354 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.040 0.511 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.205 -0.455 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 15 2.675 -1.393 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.886 -0.601 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.524 0.752 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.235 0.057 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.100 -2.889 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.426 -2.286 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.074 -3.181 -3.822 1.00 0.00 H new ATOM 232 N LYS A 16 -0.843 -0.217 -7.601 1.00 0.00 N ATOM 233 CA LYS A 16 -2.028 -0.025 -8.449 1.00 0.00 C ATOM 234 C LYS A 16 -2.325 -1.291 -9.263 1.00 0.00 C ATOM 235 O LYS A 16 -2.683 -1.210 -10.436 1.00 0.00 O ATOM 236 CB LYS A 16 -1.802 1.200 -9.350 1.00 0.00 C ATOM 237 CG LYS A 16 -1.821 2.504 -8.541 1.00 0.00 C ATOM 238 CD LYS A 16 -1.134 3.689 -9.237 1.00 0.00 C ATOM 239 CE LYS A 16 -1.999 4.941 -9.070 1.00 0.00 C ATOM 240 NZ LYS A 16 -1.481 6.117 -9.793 1.00 0.00 N ATOM 0 H LYS A 16 -0.023 0.277 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.904 0.158 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.846 1.103 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.575 1.236 -10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.856 2.772 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.335 2.330 -7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.146 3.855 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.989 3.471 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.008 4.725 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.075 5.181 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.114 6.927 -9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.529 6.348 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.434 5.906 -10.810 1.00 0.00 H new ATOM 254 N ASN A 17 -2.051 -2.455 -8.676 1.00 0.00 N ATOM 255 CA ASN A 17 -2.138 -3.785 -9.255 1.00 0.00 C ATOM 256 C ASN A 17 -2.521 -4.810 -8.162 1.00 0.00 C ATOM 257 O ASN A 17 -2.658 -6.002 -8.462 1.00 0.00 O ATOM 258 CB ASN A 17 -0.788 -4.182 -9.889 1.00 0.00 C ATOM 259 CG ASN A 17 -0.503 -3.580 -11.261 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.730 -4.235 -12.275 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.055 -2.379 -11.338 1.00 0.00 N ATOM 0 H ASN A 17 -1.738 -2.490 -7.706 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.905 -3.780 -10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.012 -3.889 -9.210 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.752 -5.268 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.301 -1.988 -12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.238 -1.846 -10.488 1.00 0.00 H new ATOM 268 N VAL A 18 -2.645 -4.416 -6.887 1.00 0.00 N ATOM 269 CA VAL A 18 -2.898 -5.288 -5.750 1.00 0.00 C ATOM 270 C VAL A 18 -4.193 -4.795 -5.135 1.00 0.00 C ATOM 271 O VAL A 18 -4.207 -3.859 -4.342 1.00 0.00 O ATOM 272 CB VAL A 18 -1.689 -5.312 -4.795 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.060 -5.694 -3.356 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.681 -6.338 -5.324 1.00 0.00 C ATOM 0 H VAL A 18 -2.567 -3.436 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.018 -6.334 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.277 -4.303 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.163 -5.692 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.776 -4.973 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.505 -6.689 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.185 -6.372 -4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.149 -7.322 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.361 -6.051 -6.326 1.00 0.00 H new ATOM 284 N ILE A 19 -5.293 -5.416 -5.539 1.00 0.00 N ATOM 285 CA ILE A 19 -6.619 -5.069 -5.077 1.00 0.00 C ATOM 286 C ILE A 19 -6.886 -5.856 -3.792 1.00 0.00 C ATOM 287 O ILE A 19 -6.667 -7.073 -3.744 1.00 0.00 O ATOM 288 CB ILE A 19 -7.650 -5.412 -6.164 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.382 -4.765 -7.547 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.048 -5.070 -5.662 1.00 0.00 C ATOM 291 CD1 ILE A 19 -7.994 -3.374 -7.774 1.00 0.00 C ATOM 0 H ILE A 19 -5.283 -6.186 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.697 -4.001 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.559 -6.483 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.304 -4.692 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.760 -5.436 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.781 -5.313 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.263 -5.647 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.102 -4.006 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.740 -3.024 -8.774 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.078 -3.433 -7.674 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.599 -2.678 -7.034 1.00 0.00 H new ATOM 303 N ASP A 20 -7.422 -5.172 -2.786 1.00 0.00 N ATOM 304 CA ASP A 20 -7.961 -5.708 -1.544 1.00 0.00 C ATOM 305 C ASP A 20 -9.248 -6.449 -1.876 1.00 0.00 C ATOM 306 O ASP A 20 -10.255 -5.843 -2.265 1.00 0.00 O ATOM 307 CB ASP A 20 -8.271 -4.601 -0.512 1.00 0.00 C ATOM 308 CG ASP A 20 -7.187 -4.447 0.551 1.00 0.00 C ATOM 309 OD1 ASP A 20 -5.989 -4.432 0.175 1.00 0.00 O ATOM 310 OD2 ASP A 20 -7.567 -4.384 1.741 1.00 0.00 O ATOM 0 H ASP A 20 -7.496 -4.155 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.215 -6.367 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.396 -3.652 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.220 -4.824 -0.024 1.00 0.00 H new ATOM 316 N PHE A 21 -9.237 -7.768 -1.695 1.00 0.00 N ATOM 317 CA PHE A 21 -10.431 -8.597 -1.800 1.00 0.00 C ATOM 318 C PHE A 21 -11.511 -8.186 -0.788 1.00 0.00 C ATOM 319 O PHE A 21 -12.673 -8.531 -0.989 1.00 0.00 O ATOM 320 CB PHE A 21 -10.051 -10.071 -1.588 1.00 0.00 C ATOM 321 CG PHE A 21 -9.529 -10.790 -2.817 1.00 0.00 C ATOM 322 CD1 PHE A 21 -8.192 -10.629 -3.220 1.00 0.00 C ATOM 323 CD2 PHE A 21 -10.378 -11.643 -3.550 1.00 0.00 C ATOM 324 CE1 PHE A 21 -7.712 -11.294 -4.360 1.00 0.00 C ATOM 325 CE2 PHE A 21 -9.898 -12.309 -4.693 1.00 0.00 C ATOM 326 CZ PHE A 21 -8.567 -12.120 -5.105 1.00 0.00 C ATOM 0 H PHE A 21 -8.392 -8.293 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.848 -8.456 -2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.293 -10.125 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.927 -10.605 -1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.532 -9.992 -2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -11.401 -11.786 -3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.683 -11.169 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.550 -12.963 -5.252 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.203 -12.611 -5.995 1.00 0.00 H new ATOM 336 N GLU A 22 -11.176 -7.474 0.298 1.00 0.00 N ATOM 337 CA GLU A 22 -12.154 -7.169 1.343 1.00 0.00 C ATOM 338 C GLU A 22 -13.126 -6.043 0.976 1.00 0.00 C ATOM 339 O GLU A 22 -14.097 -5.837 1.709 1.00 0.00 O ATOM 340 CB GLU A 22 -11.485 -6.915 2.697 1.00 0.00 C ATOM 341 CG GLU A 22 -10.805 -5.554 2.891 1.00 0.00 C ATOM 342 CD GLU A 22 -11.240 -4.868 4.200 1.00 0.00 C ATOM 343 OE1 GLU A 22 -11.692 -3.705 4.147 1.00 0.00 O ATOM 344 OE2 GLU A 22 -11.169 -5.494 5.289 1.00 0.00 O ATOM 0 H GLU A 22 -10.242 -7.103 0.472 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.765 -8.067 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.239 -7.031 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.739 -7.693 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.723 -5.687 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.043 -4.907 2.047 1.00 0.00 H new ATOM 352 N LEU A 23 -12.876 -5.314 -0.119 1.00 0.00 N ATOM 353 CA LEU A 23 -13.690 -4.161 -0.511 1.00 0.00 C ATOM 354 C LEU A 23 -13.737 -3.950 -2.022 1.00 0.00 C ATOM 355 O LEU A 23 -14.788 -3.575 -2.550 1.00 0.00 O ATOM 356 CB LEU A 23 -13.185 -2.901 0.190 1.00 0.00 C ATOM 357 CG LEU A 23 -14.399 -2.017 0.549 1.00 0.00 C ATOM 358 CD1 LEU A 23 -14.739 -2.144 2.035 1.00 0.00 C ATOM 359 CD2 LEU A 23 -14.115 -0.588 0.134 1.00 0.00 C ATOM 0 H LEU A 23 -12.104 -5.508 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.712 -4.371 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.630 -3.165 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.499 -2.356 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 23 -15.280 -2.355 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -15.597 -1.513 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.979 -3.182 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.884 -1.827 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.969 0.040 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.231 -0.226 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.940 -0.549 -0.941 1.00 0.00 H new ATOM 371 N GLY A 24 -12.632 -4.216 -2.723 1.00 0.00 N ATOM 372 CA GLY A 24 -12.589 -4.246 -4.176 1.00 0.00 C ATOM 373 C GLY A 24 -11.586 -3.284 -4.805 1.00 0.00 C ATOM 374 O GLY A 24 -11.629 -3.105 -6.021 1.00 0.00 O ATOM 0 H GLY A 24 -11.733 -4.419 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.350 -5.260 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.583 -4.015 -4.560 1.00 0.00 H new ATOM 378 N LEU A 25 -10.724 -2.650 -4.013 1.00 0.00 N ATOM 379 CA LEU A 25 -9.945 -1.464 -4.355 1.00 0.00 C ATOM 380 C LEU A 25 -8.489 -1.739 -4.087 1.00 0.00 C ATOM 381 O LEU A 25 -8.164 -2.502 -3.188 1.00 0.00 O ATOM 382 CB LEU A 25 -10.392 -0.319 -3.436 1.00 0.00 C ATOM 383 CG LEU A 25 -11.743 0.348 -3.714 1.00 0.00 C ATOM 384 CD1 LEU A 25 -11.722 1.092 -5.047 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.956 -0.598 -3.667 1.00 0.00 C ATOM 0 H LEU A 25 -10.541 -2.969 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.092 -1.206 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.413 -0.700 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.625 0.455 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.877 1.049 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.693 1.556 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.951 1.862 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.507 0.390 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.865 -0.034 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.835 -1.382 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.028 -1.048 -2.677 1.00 0.00 H new ATOM 397 N ASP A 26 -7.624 -1.103 -4.863 1.00 0.00 N ATOM 398 CA ASP A 26 -6.195 -1.119 -4.614 1.00 0.00 C ATOM 399 C ASP A 26 -5.904 -0.247 -3.384 1.00 0.00 C ATOM 400 O ASP A 26 -6.542 0.795 -3.216 1.00 0.00 O ATOM 401 CB ASP A 26 -5.454 -0.473 -5.787 1.00 0.00 C ATOM 402 CG ASP A 26 -5.277 -1.213 -7.115 1.00 0.00 C ATOM 403 OD1 ASP A 26 -5.382 -0.524 -8.152 1.00 0.00 O ATOM 404 OD2 ASP A 26 -4.892 -2.401 -7.151 1.00 0.00 O ATOM 0 H ASP A 26 -7.896 -0.561 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.874 -2.151 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.965 0.464 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.457 -0.215 -5.431 1.00 0.00 H new ATOM 410 N VAL A 27 -4.835 -0.515 -2.624 1.00 0.00 N ATOM 411 CA VAL A 27 -4.327 0.335 -1.545 1.00 0.00 C ATOM 412 C VAL A 27 -4.115 1.778 -2.003 1.00 0.00 C ATOM 413 O VAL A 27 -4.251 2.726 -1.226 1.00 0.00 O ATOM 414 CB VAL A 27 -3.011 -0.236 -0.976 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.164 -1.644 -0.408 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.843 -0.274 -1.967 1.00 0.00 C ATOM 0 H VAL A 27 -4.281 -1.362 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.084 0.343 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.776 0.475 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.204 -1.988 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.895 -1.633 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.503 -2.319 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.963 -0.690 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.111 -0.896 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.623 0.737 -2.309 1.00 0.00 H new ATOM 426 N VAL A 28 -3.782 1.968 -3.277 1.00 0.00 N ATOM 427 CA VAL A 28 -3.523 3.274 -3.847 1.00 0.00 C ATOM 428 C VAL A 28 -4.845 3.984 -4.145 1.00 0.00 C ATOM 429 O VAL A 28 -4.925 5.209 -4.023 1.00 0.00 O ATOM 430 CB VAL A 28 -2.588 3.121 -5.060 1.00 0.00 C ATOM 431 CG1 VAL A 28 -2.096 4.483 -5.559 1.00 0.00 C ATOM 432 CG2 VAL A 28 -1.354 2.289 -4.677 1.00 0.00 C ATOM 0 H VAL A 28 -3.685 1.204 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.001 3.918 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.159 2.627 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.438 4.340 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.950 5.092 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.549 4.987 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.700 2.188 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.815 2.788 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.671 1.301 -4.344 1.00 0.00 H new ATOM 442 N SER A 29 -5.916 3.241 -4.434 1.00 0.00 N ATOM 443 CA SER A 29 -7.262 3.791 -4.489 1.00 0.00 C ATOM 444 C SER A 29 -7.808 4.064 -3.088 1.00 0.00 C ATOM 445 O SER A 29 -8.569 5.016 -2.933 1.00 0.00 O ATOM 446 CB SER A 29 -8.196 2.830 -5.224 1.00 0.00 C ATOM 447 OG SER A 29 -7.743 2.638 -6.554 1.00 0.00 O ATOM 0 H SER A 29 -5.869 2.242 -4.636 1.00 0.00 H new ATOM 0 HA SER A 29 -7.213 4.736 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.232 1.874 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.210 3.229 -5.230 1.00 0.00 H new ATOM 0 HG SER A 29 -8.345 2.020 -7.019 1.00 0.00 H new ATOM 453 N LEU A 30 -7.455 3.262 -2.080 1.00 0.00 N ATOM 454 CA LEU A 30 -7.760 3.564 -0.690 1.00 0.00 C ATOM 455 C LEU A 30 -7.061 4.856 -0.278 1.00 0.00 C ATOM 456 O LEU A 30 -7.660 5.658 0.427 1.00 0.00 O ATOM 457 CB LEU A 30 -7.350 2.412 0.234 1.00 0.00 C ATOM 458 CG LEU A 30 -8.494 1.420 0.507 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.453 0.225 -0.444 1.00 0.00 C ATOM 460 CD2 LEU A 30 -8.427 0.934 1.948 1.00 0.00 C ATOM 0 H LEU A 30 -6.950 2.386 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.838 3.694 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.512 1.877 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.998 2.821 1.181 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.433 1.947 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.278 -0.450 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.544 0.575 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.508 -0.304 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.240 0.232 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.472 0.437 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.521 1.784 2.623 1.00 0.00 H new ATOM 472 N GLY A 31 -5.812 5.057 -0.695 1.00 0.00 N ATOM 473 CA GLY A 31 -4.974 6.123 -0.169 1.00 0.00 C ATOM 474 C GLY A 31 -4.357 5.671 1.151 1.00 0.00 C ATOM 475 O GLY A 31 -4.476 6.364 2.161 1.00 0.00 O ATOM 0 H GLY A 31 -5.357 4.484 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.190 6.372 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.566 7.026 -0.017 1.00 0.00 H new ATOM 479 N LEU A 32 -3.766 4.470 1.174 1.00 0.00 N ATOM 480 CA LEU A 32 -2.903 3.979 2.249 1.00 0.00 C ATOM 481 C LEU A 32 -1.527 4.641 2.082 1.00 0.00 C ATOM 482 O LEU A 32 -1.441 5.710 1.477 1.00 0.00 O ATOM 483 CB LEU A 32 -2.819 2.436 2.212 1.00 0.00 C ATOM 484 CG LEU A 32 -4.166 1.686 2.185 1.00 0.00 C ATOM 485 CD1 LEU A 32 -3.985 0.178 2.363 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.109 2.205 3.269 1.00 0.00 C ATOM 0 H LEU A 32 -3.881 3.793 0.419 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.309 4.240 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.246 2.144 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.257 2.102 3.084 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.602 1.872 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.959 -0.311 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.363 -0.211 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.504 -0.020 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.050 1.657 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.651 2.062 4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.299 3.266 3.108 1.00 0.00 H new ATOM 498 N VAL A 33 -0.455 4.003 2.570 1.00 0.00 N ATOM 499 CA VAL A 33 0.946 4.410 2.427 1.00 0.00 C ATOM 500 C VAL A 33 1.140 5.897 2.802 1.00 0.00 C ATOM 501 O VAL A 33 1.094 6.814 1.978 1.00 0.00 O ATOM 502 CB VAL A 33 1.517 3.937 1.061 1.00 0.00 C ATOM 503 CG1 VAL A 33 0.636 4.085 -0.186 1.00 0.00 C ATOM 504 CG2 VAL A 33 2.870 4.581 0.750 1.00 0.00 C ATOM 0 H VAL A 33 -0.549 3.140 3.105 1.00 0.00 H new ATOM 0 HA VAL A 33 1.572 3.896 3.156 1.00 0.00 H new ATOM 0 HB VAL A 33 1.592 2.864 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.174 3.712 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.282 3.512 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.390 5.136 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.231 4.222 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.758 5.665 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.586 4.316 1.528 1.00 0.00 H new ATOM 514 N TYR A 34 1.353 6.127 4.099 1.00 0.00 N ATOM 515 CA TYR A 34 1.753 7.402 4.669 1.00 0.00 C ATOM 516 C TYR A 34 3.123 7.852 4.159 1.00 0.00 C ATOM 517 O TYR A 34 3.307 9.056 3.979 1.00 0.00 O ATOM 518 CB TYR A 34 1.841 7.286 6.196 1.00 0.00 C ATOM 519 CG TYR A 34 0.543 7.233 6.974 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.436 8.235 6.812 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.379 6.244 7.963 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.564 8.265 7.656 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.731 6.285 8.820 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.697 7.304 8.683 1.00 0.00 C ATOM 525 OH TYR A 34 -2.688 7.389 9.610 1.00 0.00 O ATOM 0 H TYR A 34 1.246 5.397 4.804 1.00 0.00 H new ATOM 0 HA TYR A 34 1.002 8.133 4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.410 6.387 6.432 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.418 8.134 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.321 8.981 6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.108 5.453 8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.324 9.020 7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.846 5.534 9.587 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.383 8.001 9.290 1.00 0.00 H new ATOM 535 N ASP A 35 4.096 6.954 3.961 1.00 0.00 N ATOM 536 CA ASP A 35 5.424 7.344 3.469 1.00 0.00 C ATOM 537 C ASP A 35 6.078 6.224 2.668 1.00 0.00 C ATOM 538 O ASP A 35 5.739 5.059 2.868 1.00 0.00 O ATOM 539 CB ASP A 35 6.350 7.687 4.639 1.00 0.00 C ATOM 540 CG ASP A 35 7.509 8.557 4.148 1.00 0.00 C ATOM 541 OD1 ASP A 35 7.319 9.782 3.947 1.00 0.00 O ATOM 542 OD2 ASP A 35 8.621 8.048 3.885 1.00 0.00 O ATOM 0 H ASP A 35 3.989 5.954 4.133 1.00 0.00 H new ATOM 0 HA ASP A 35 5.279 8.213 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.792 8.213 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.736 6.772 5.089 1.00 0.00 H new ATOM 548 N ILE A 36 7.044 6.559 1.809 1.00 0.00 N ATOM 549 CA ILE A 36 7.865 5.633 1.037 1.00 0.00 C ATOM 550 C ILE A 36 9.289 6.198 1.027 1.00 0.00 C ATOM 551 O ILE A 36 9.490 7.393 0.766 1.00 0.00 O ATOM 552 CB ILE A 36 7.344 5.497 -0.418 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.810 5.426 -0.558 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.964 4.232 -1.037 1.00 0.00 C ATOM 555 CD1 ILE A 36 5.315 5.640 -1.990 1.00 0.00 C ATOM 0 H ILE A 36 7.284 7.533 1.627 1.00 0.00 H new ATOM 0 HA ILE A 36 7.832 4.641 1.487 1.00 0.00 H new ATOM 0 HB ILE A 36 7.643 6.408 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.466 4.454 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.359 6.178 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.610 4.117 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.050 4.321 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.671 3.360 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.227 5.576 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.628 6.624 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.737 4.873 -2.639 1.00 0.00 H new ATOM 567 N GLN A 37 10.279 5.344 1.259 1.00 0.00 N ATOM 568 CA GLN A 37 11.696 5.675 1.283 1.00 0.00 C ATOM 569 C GLN A 37 12.479 4.441 0.837 1.00 0.00 C ATOM 570 O GLN A 37 12.215 3.347 1.329 1.00 0.00 O ATOM 571 CB GLN A 37 12.084 6.150 2.694 1.00 0.00 C ATOM 572 CG GLN A 37 11.775 5.144 3.813 1.00 0.00 C ATOM 573 CD GLN A 37 11.614 5.777 5.198 1.00 0.00 C ATOM 574 OE1 GLN A 37 12.316 5.447 6.150 1.00 0.00 O ATOM 575 NE2 GLN A 37 10.624 6.636 5.383 1.00 0.00 N ATOM 0 H GLN A 37 10.106 4.356 1.444 1.00 0.00 H new ATOM 0 HA GLN A 37 11.931 6.491 0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.151 6.373 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.561 7.082 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.860 4.608 3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.576 4.406 3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.037 6.915 4.597 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.448 7.019 6.312 1.00 0.00 H new ATOM 584 N ILE A 38 13.367 4.589 -0.148 1.00 0.00 N ATOM 585 CA ILE A 38 14.121 3.496 -0.723 1.00 0.00 C ATOM 586 C ILE A 38 15.582 3.909 -0.696 1.00 0.00 C ATOM 587 O ILE A 38 15.992 4.789 -1.460 1.00 0.00 O ATOM 588 CB ILE A 38 13.632 3.187 -2.149 1.00 0.00 C ATOM 589 CG1 ILE A 38 12.102 3.081 -2.258 1.00 0.00 C ATOM 590 CG2 ILE A 38 14.293 1.897 -2.648 1.00 0.00 C ATOM 591 CD1 ILE A 38 11.428 4.415 -2.516 1.00 0.00 C ATOM 0 H ILE A 38 13.579 5.493 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 38 13.984 2.576 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 38 13.924 4.028 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.848 2.391 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.707 2.654 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.947 1.678 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.376 2.022 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 38 14.027 1.072 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.350 4.271 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.653 5.100 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.796 4.834 -3.453 1.00 0.00 H new ATOM 603 N ASP A 39 16.355 3.292 0.194 1.00 0.00 N ATOM 604 CA ASP A 39 17.795 3.491 0.211 1.00 0.00 C ATOM 605 C ASP A 39 18.409 2.868 -1.048 1.00 0.00 C ATOM 606 O ASP A 39 17.738 2.129 -1.774 1.00 0.00 O ATOM 607 CB ASP A 39 18.402 2.893 1.480 1.00 0.00 C ATOM 608 CG ASP A 39 19.774 3.498 1.730 1.00 0.00 C ATOM 609 OD1 ASP A 39 20.785 2.778 1.577 1.00 0.00 O ATOM 610 OD2 ASP A 39 19.846 4.721 1.990 1.00 0.00 O ATOM 0 H ASP A 39 16.007 2.653 0.909 1.00 0.00 H new ATOM 0 HA ASP A 39 18.015 4.558 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.749 3.085 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.485 1.811 1.379 1.00 0.00 H new ATOM 616 N ASP A 40 19.687 3.124 -1.332 1.00 0.00 N ATOM 617 CA ASP A 40 20.271 2.769 -2.633 1.00 0.00 C ATOM 618 C ASP A 40 20.323 1.259 -2.823 1.00 0.00 C ATOM 619 O ASP A 40 20.327 0.791 -3.961 1.00 0.00 O ATOM 620 CB ASP A 40 21.696 3.301 -2.850 1.00 0.00 C ATOM 621 CG ASP A 40 21.918 4.697 -2.310 1.00 0.00 C ATOM 622 OD1 ASP A 40 21.763 5.653 -3.100 1.00 0.00 O ATOM 623 OD2 ASP A 40 22.228 4.790 -1.102 1.00 0.00 O ATOM 0 H ASP A 40 20.336 3.573 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 40 19.610 3.242 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 40 22.403 2.621 -2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 40 21.917 3.295 -3.917 1.00 0.00 H new ATOM 629 N GLN A 41 20.319 0.497 -1.721 1.00 0.00 N ATOM 630 CA GLN A 41 20.300 -0.958 -1.749 1.00 0.00 C ATOM 631 C GLN A 41 18.890 -1.483 -2.015 1.00 0.00 C ATOM 632 O GLN A 41 18.653 -2.678 -1.868 1.00 0.00 O ATOM 633 CB GLN A 41 20.896 -1.565 -0.467 1.00 0.00 C ATOM 634 CG GLN A 41 22.344 -1.189 -0.150 1.00 0.00 C ATOM 635 CD GLN A 41 23.225 -1.021 -1.388 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.713 -1.973 -1.986 1.00 0.00 O ATOM 637 NE2 GLN A 41 23.415 0.208 -1.830 1.00 0.00 N ATOM 0 H GLN A 41 20.329 0.885 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 41 20.936 -1.276 -2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.272 -1.266 0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.833 -2.651 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.352 -0.259 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.777 -1.957 0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 41 23.008 0.998 -1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 41 23.969 0.367 -2.671 1.00 0.00 H new ATOM 646 N ASN A 42 17.953 -0.608 -2.397 1.00 0.00 N ATOM 647 CA ASN A 42 16.566 -0.895 -2.738 1.00 0.00 C ATOM 648 C ASN A 42 15.838 -1.546 -1.571 1.00 0.00 C ATOM 649 O ASN A 42 14.945 -2.371 -1.775 1.00 0.00 O ATOM 650 CB ASN A 42 16.439 -1.788 -3.980 1.00 0.00 C ATOM 651 CG ASN A 42 17.542 -1.633 -4.991 1.00 0.00 C ATOM 652 OD1 ASN A 42 18.468 -2.425 -5.088 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.441 -0.604 -5.794 1.00 0.00 N ATOM 0 H ASN A 42 18.164 0.386 -2.480 1.00 0.00 H new ATOM 0 HA ASN A 42 16.104 0.066 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.405 -2.829 -3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.488 -1.574 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.143 -0.451 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.660 0.045 -5.696 1.00 0.00 H new ATOM 660 N ASN A 43 16.244 -1.196 -0.352 1.00 0.00 N ATOM 661 CA ASN A 43 15.519 -1.513 0.863 1.00 0.00 C ATOM 662 C ASN A 43 14.255 -0.655 0.750 1.00 0.00 C ATOM 663 O ASN A 43 14.274 0.498 1.188 1.00 0.00 O ATOM 664 CB ASN A 43 16.368 -1.171 2.127 1.00 0.00 C ATOM 665 CG ASN A 43 17.883 -1.344 2.008 1.00 0.00 C ATOM 666 OD1 ASN A 43 18.646 -0.447 2.323 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.397 -2.458 1.518 1.00 0.00 N ATOM 0 H ASN A 43 17.104 -0.674 -0.185 1.00 0.00 H new ATOM 0 HA ASN A 43 15.287 -2.572 0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.165 -0.136 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 43 16.019 -1.795 2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.407 -2.550 1.412 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.784 -3.226 1.246 1.00 0.00 H new ATOM 674 N VAL A 44 13.205 -1.110 0.047 1.00 0.00 N ATOM 675 CA VAL A 44 11.998 -0.301 -0.036 1.00 0.00 C ATOM 676 C VAL A 44 11.333 -0.353 1.319 1.00 0.00 C ATOM 677 O VAL A 44 10.998 -1.445 1.792 1.00 0.00 O ATOM 678 CB VAL A 44 11.100 -0.843 -1.148 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.699 -0.211 -1.133 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.740 -0.553 -2.502 1.00 0.00 C ATOM 0 H VAL A 44 13.173 -2.000 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 44 12.216 0.737 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 44 10.993 -1.915 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.102 -0.631 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.215 -0.421 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.785 0.867 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.101 -0.939 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.861 0.523 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.716 -1.036 -2.554 1.00 0.00 H new ATOM 690 N LYS A 45 11.142 0.804 1.950 1.00 0.00 N ATOM 691 CA LYS A 45 10.518 0.895 3.233 1.00 0.00 C ATOM 692 C LYS A 45 9.327 1.798 3.035 1.00 0.00 C ATOM 693 O LYS A 45 9.366 2.767 2.271 1.00 0.00 O ATOM 694 CB LYS A 45 11.539 1.408 4.241 1.00 0.00 C ATOM 695 CG LYS A 45 10.920 1.527 5.639 1.00 0.00 C ATOM 696 CD LYS A 45 11.862 2.207 6.634 1.00 0.00 C ATOM 697 CE LYS A 45 11.007 2.931 7.676 1.00 0.00 C ATOM 698 NZ LYS A 45 11.814 3.751 8.599 1.00 0.00 N ATOM 0 H LYS A 45 11.426 1.705 1.565 1.00 0.00 H new ATOM 0 HA LYS A 45 10.172 -0.058 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.394 0.732 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.914 2.380 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.991 2.094 5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.663 0.533 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.505 1.470 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.515 2.913 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.283 3.568 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.440 2.197 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.208 4.111 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.575 3.170 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.228 4.552 8.080 1.00 0.00 H new ATOM 712 N VAL A 46 8.248 1.428 3.692 1.00 0.00 N ATOM 713 CA VAL A 46 6.964 2.064 3.537 1.00 0.00 C ATOM 714 C VAL A 46 6.369 2.166 4.927 1.00 0.00 C ATOM 715 O VAL A 46 6.372 1.182 5.662 1.00 0.00 O ATOM 716 CB VAL A 46 6.068 1.233 2.599 1.00 0.00 C ATOM 717 CG1 VAL A 46 4.843 2.067 2.225 1.00 0.00 C ATOM 718 CG2 VAL A 46 6.786 0.767 1.317 1.00 0.00 C ATOM 0 H VAL A 46 8.243 0.659 4.363 1.00 0.00 H new ATOM 0 HA VAL A 46 7.054 3.053 3.087 1.00 0.00 H new ATOM 0 HB VAL A 46 5.784 0.329 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.199 1.490 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.291 2.328 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.164 2.978 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.096 0.188 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.129 1.636 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.642 0.147 1.584 1.00 0.00 H new ATOM 728 N LEU A 47 5.834 3.332 5.274 1.00 0.00 N ATOM 729 CA LEU A 47 4.858 3.447 6.343 1.00 0.00 C ATOM 730 C LEU A 47 3.501 3.365 5.666 1.00 0.00 C ATOM 731 O LEU A 47 3.153 4.278 4.924 1.00 0.00 O ATOM 732 CB LEU A 47 5.037 4.776 7.106 1.00 0.00 C ATOM 733 CG LEU A 47 5.482 4.531 8.551 1.00 0.00 C ATOM 734 CD1 LEU A 47 6.959 4.139 8.599 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.266 5.770 9.419 1.00 0.00 C ATOM 0 H LEU A 47 6.065 4.217 4.823 1.00 0.00 H new ATOM 0 HA LEU A 47 4.972 2.659 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.775 5.395 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.098 5.330 7.101 1.00 0.00 H new ATOM 0 HG LEU A 47 4.873 3.717 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.257 3.969 9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.112 3.227 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.562 4.942 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.592 5.562 10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.844 6.602 9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.208 6.031 9.423 1.00 0.00 H new ATOM 747 N MET A 48 2.733 2.297 5.862 1.00 0.00 N ATOM 748 CA MET A 48 1.312 2.234 5.511 1.00 0.00 C ATOM 749 C MET A 48 0.561 1.761 6.750 1.00 0.00 C ATOM 750 O MET A 48 1.041 1.896 7.880 1.00 0.00 O ATOM 751 CB MET A 48 1.007 1.426 4.217 1.00 0.00 C ATOM 752 CG MET A 48 1.742 0.128 4.085 1.00 0.00 C ATOM 753 SD MET A 48 1.226 -1.175 5.233 1.00 0.00 S ATOM 754 CE MET A 48 -0.284 -1.718 4.375 1.00 0.00 C ATOM 0 H MET A 48 3.084 1.434 6.277 1.00 0.00 H new ATOM 0 HA MET A 48 0.957 3.226 5.233 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.063 1.224 4.178 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.245 2.049 3.355 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.618 -0.239 3.066 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.806 0.316 4.229 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.104 -1.785 5.090 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.539 -0.999 3.597 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.115 -2.696 3.924 1.00 0.00 H new ATOM 764 N THR A 49 -0.683 1.367 6.549 1.00 0.00 N ATOM 765 CA THR A 49 -1.682 1.093 7.557 1.00 0.00 C ATOM 766 C THR A 49 -2.796 0.314 6.834 1.00 0.00 C ATOM 767 O THR A 49 -2.851 0.335 5.602 1.00 0.00 O ATOM 768 CB THR A 49 -2.105 2.462 8.158 1.00 0.00 C ATOM 769 OG1 THR A 49 -3.157 2.367 9.085 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.520 3.506 7.106 1.00 0.00 C ATOM 0 H THR A 49 -1.045 1.220 5.607 1.00 0.00 H new ATOM 0 HA THR A 49 -1.353 0.484 8.399 1.00 0.00 H new ATOM 0 HB THR A 49 -1.195 2.792 8.659 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.801 2.097 9.957 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.801 4.433 7.605 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.685 3.695 6.432 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.369 3.130 6.535 1.00 0.00 H new ATOM 778 N MET A 50 -3.665 -0.369 7.575 1.00 0.00 N ATOM 779 CA MET A 50 -4.866 -1.050 7.115 1.00 0.00 C ATOM 780 C MET A 50 -6.049 -0.487 7.891 1.00 0.00 C ATOM 781 O MET A 50 -5.909 -0.093 9.052 1.00 0.00 O ATOM 782 CB MET A 50 -4.766 -2.569 7.357 1.00 0.00 C ATOM 783 CG MET A 50 -4.193 -3.349 6.175 1.00 0.00 C ATOM 784 SD MET A 50 -5.188 -3.198 4.675 1.00 0.00 S ATOM 785 CE MET A 50 -4.276 -4.360 3.635 1.00 0.00 C ATOM 0 H MET A 50 -3.537 -0.466 8.582 1.00 0.00 H new ATOM 0 HA MET A 50 -4.989 -0.889 6.044 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.143 -2.747 8.233 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.758 -2.956 7.588 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.182 -2.996 5.970 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.114 -4.402 6.447 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.601 -4.254 2.600 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.209 -4.149 3.703 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.467 -5.378 3.973 1.00 0.00 H new ATOM 795 N THR A 51 -7.223 -0.467 7.257 1.00 0.00 N ATOM 796 CA THR A 51 -8.387 0.230 7.793 1.00 0.00 C ATOM 797 C THR A 51 -8.793 -0.372 9.136 1.00 0.00 C ATOM 798 O THR A 51 -9.118 0.356 10.081 1.00 0.00 O ATOM 799 CB THR A 51 -9.532 0.257 6.758 1.00 0.00 C ATOM 800 OG1 THR A 51 -10.712 0.787 7.327 1.00 0.00 O ATOM 801 CG2 THR A 51 -9.808 -1.077 6.039 1.00 0.00 C ATOM 0 H THR A 51 -7.390 -0.931 6.364 1.00 0.00 H new ATOM 0 HA THR A 51 -8.131 1.272 7.986 1.00 0.00 H new ATOM 0 HB THR A 51 -9.177 0.919 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.424 0.796 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.630 -0.948 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.914 -1.392 5.500 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.075 -1.837 6.773 1.00 0.00 H new ATOM 809 N THR A 52 -8.766 -1.700 9.240 1.00 0.00 N ATOM 810 CA THR A 52 -9.283 -2.404 10.390 1.00 0.00 C ATOM 811 C THR A 52 -8.288 -3.521 10.749 1.00 0.00 C ATOM 812 O THR A 52 -7.596 -4.049 9.870 1.00 0.00 O ATOM 813 CB THR A 52 -10.724 -2.887 10.088 1.00 0.00 C ATOM 814 OG1 THR A 52 -10.712 -4.047 9.290 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.633 -1.840 9.423 1.00 0.00 C ATOM 0 H THR A 52 -8.381 -2.312 8.520 1.00 0.00 H new ATOM 0 HA THR A 52 -9.370 -1.766 11.269 1.00 0.00 H new ATOM 0 HB THR A 52 -11.148 -3.093 11.071 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.622 -4.242 8.982 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.619 -2.271 9.251 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.725 -0.971 10.075 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.200 -1.535 8.471 1.00 0.00 H new ATOM 823 N PRO A 53 -8.208 -3.919 12.029 1.00 0.00 N ATOM 824 CA PRO A 53 -7.432 -5.078 12.456 1.00 0.00 C ATOM 825 C PRO A 53 -8.179 -6.395 12.190 1.00 0.00 C ATOM 826 O PRO A 53 -7.697 -7.468 12.559 1.00 0.00 O ATOM 827 CB PRO A 53 -7.211 -4.838 13.951 1.00 0.00 C ATOM 828 CG PRO A 53 -8.504 -4.156 14.387 1.00 0.00 C ATOM 829 CD PRO A 53 -8.822 -3.274 13.181 1.00 0.00 C ATOM 0 HA PRO A 53 -6.495 -5.180 11.908 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.046 -5.772 14.489 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.341 -4.207 14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.298 -4.876 14.586 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.369 -3.570 15.296 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.899 -3.177 13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.426 -2.268 13.320 1.00 0.00 H new ATOM 837 N MET A 54 -9.370 -6.333 11.580 1.00 0.00 N ATOM 838 CA MET A 54 -10.383 -7.380 11.630 1.00 0.00 C ATOM 839 C MET A 54 -10.783 -7.888 10.238 1.00 0.00 C ATOM 840 O MET A 54 -11.794 -8.583 10.128 1.00 0.00 O ATOM 841 CB MET A 54 -11.590 -6.863 12.439 1.00 0.00 C ATOM 842 CG MET A 54 -12.295 -5.684 11.762 1.00 0.00 C ATOM 843 SD MET A 54 -14.086 -5.625 11.982 1.00 0.00 S ATOM 844 CE MET A 54 -14.503 -4.717 10.471 1.00 0.00 C ATOM 0 H MET A 54 -9.657 -5.528 11.024 1.00 0.00 H new ATOM 0 HA MET A 54 -9.963 -8.251 12.133 1.00 0.00 H new ATOM 0 HB2 MET A 54 -12.303 -7.675 12.579 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.254 -6.559 13.431 1.00 0.00 H new ATOM 0 HG2 MET A 54 -11.868 -4.758 12.146 1.00 0.00 H new ATOM 0 HG3 MET A 54 -12.078 -5.717 10.694 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.582 -4.575 10.418 1.00 0.00 H new ATOM 0 HE2 MET A 54 -14.009 -3.745 10.483 1.00 0.00 H new ATOM 0 HE3 MET A 54 -14.168 -5.284 9.602 1.00 0.00 H new ATOM 854 N CYS A 55 -10.020 -7.539 9.192 1.00 0.00 N ATOM 855 CA CYS A 55 -10.265 -7.888 7.793 1.00 0.00 C ATOM 856 C CYS A 55 -10.452 -9.412 7.600 1.00 0.00 C ATOM 857 O CYS A 55 -10.149 -10.196 8.509 1.00 0.00 O ATOM 858 CB CYS A 55 -9.084 -7.356 6.966 1.00 0.00 C ATOM 859 SG CYS A 55 -8.795 -5.596 7.282 1.00 0.00 S ATOM 0 H CYS A 55 -9.176 -6.979 9.309 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.196 -7.431 7.458 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.185 -7.923 7.207 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.283 -7.509 5.905 1.00 0.00 H new ATOM 0 HG CYS A 55 -9.695 -5.150 8.107 1.00 0.00 H new ATOM 865 N PRO A 56 -10.918 -9.883 6.429 1.00 0.00 N ATOM 866 CA PRO A 56 -11.349 -11.264 6.259 1.00 0.00 C ATOM 867 C PRO A 56 -10.156 -12.220 6.192 1.00 0.00 C ATOM 868 O PRO A 56 -10.170 -13.310 6.770 1.00 0.00 O ATOM 869 CB PRO A 56 -12.203 -11.275 4.988 1.00 0.00 C ATOM 870 CG PRO A 56 -11.656 -10.116 4.158 1.00 0.00 C ATOM 871 CD PRO A 56 -11.014 -9.167 5.171 1.00 0.00 C ATOM 0 HA PRO A 56 -11.931 -11.619 7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.113 -12.222 4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.260 -11.137 5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.926 -10.465 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.451 -9.620 3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.027 -8.852 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.614 -8.265 5.287 1.00 0.00 H new ATOM 879 N LEU A 57 -9.111 -11.792 5.491 1.00 0.00 N ATOM 880 CA LEU A 57 -7.861 -12.490 5.246 1.00 0.00 C ATOM 881 C LEU A 57 -6.786 -11.403 5.132 1.00 0.00 C ATOM 882 O LEU A 57 -6.109 -11.298 4.112 1.00 0.00 O ATOM 883 CB LEU A 57 -7.968 -13.449 4.022 1.00 0.00 C ATOM 884 CG LEU A 57 -9.029 -13.133 2.939 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.676 -11.887 2.127 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.214 -14.310 1.979 1.00 0.00 C ATOM 0 H LEU A 57 -9.121 -10.874 5.046 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.593 -13.165 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.993 -13.479 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.166 -14.452 4.400 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.959 -12.948 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.450 -11.707 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.607 -11.027 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.719 -12.037 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.965 -14.055 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.268 -14.527 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.541 -15.187 2.538 1.00 0.00 H new ATOM 898 N ALA A 58 -6.637 -10.586 6.191 1.00 0.00 N ATOM 899 CA ALA A 58 -5.641 -9.512 6.275 1.00 0.00 C ATOM 900 C ALA A 58 -4.278 -10.066 5.871 1.00 0.00 C ATOM 901 O ALA A 58 -3.620 -9.487 5.024 1.00 0.00 O ATOM 902 CB ALA A 58 -5.510 -8.964 7.703 1.00 0.00 C ATOM 0 H ALA A 58 -7.219 -10.659 7.026 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.967 -8.709 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.763 -8.171 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.470 -8.565 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.204 -9.767 8.374 1.00 0.00 H new ATOM 908 N GLY A 59 -3.874 -11.204 6.439 1.00 0.00 N ATOM 909 CA GLY A 59 -2.597 -11.837 6.172 1.00 0.00 C ATOM 910 C GLY A 59 -2.349 -12.101 4.691 1.00 0.00 C ATOM 911 O GLY A 59 -1.223 -11.928 4.230 1.00 0.00 O ATOM 0 H GLY A 59 -4.444 -11.717 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.798 -11.204 6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.547 -12.781 6.715 1.00 0.00 H new ATOM 915 N MET A 60 -3.380 -12.510 3.953 1.00 0.00 N ATOM 916 CA MET A 60 -3.300 -12.807 2.529 1.00 0.00 C ATOM 917 C MET A 60 -3.126 -11.511 1.738 1.00 0.00 C ATOM 918 O MET A 60 -2.297 -11.445 0.833 1.00 0.00 O ATOM 919 CB MET A 60 -4.584 -13.545 2.127 1.00 0.00 C ATOM 920 CG MET A 60 -4.391 -14.442 0.905 1.00 0.00 C ATOM 921 SD MET A 60 -5.901 -15.239 0.290 1.00 0.00 S ATOM 922 CE MET A 60 -6.159 -16.486 1.582 1.00 0.00 C ATOM 0 H MET A 60 -4.314 -12.646 4.340 1.00 0.00 H new ATOM 0 HA MET A 60 -2.439 -13.439 2.310 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.928 -14.150 2.966 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.367 -12.816 1.917 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.960 -13.846 0.101 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.665 -15.216 1.153 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.043 -17.078 1.345 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.288 -17.140 1.636 1.00 0.00 H new ATOM 0 HE3 MET A 60 -6.301 -15.991 2.543 1.00 0.00 H new ATOM 932 N ILE A 61 -3.892 -10.482 2.106 1.00 0.00 N ATOM 933 CA ILE A 61 -3.873 -9.154 1.506 1.00 0.00 C ATOM 934 C ILE A 61 -2.503 -8.491 1.755 1.00 0.00 C ATOM 935 O ILE A 61 -1.880 -7.975 0.832 1.00 0.00 O ATOM 936 CB ILE A 61 -5.053 -8.340 2.096 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.447 -8.917 1.750 1.00 0.00 C ATOM 938 CG2 ILE A 61 -4.986 -6.908 1.586 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.580 -8.339 2.620 1.00 0.00 C ATOM 0 H ILE A 61 -4.571 -10.559 2.864 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.002 -9.204 0.425 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.943 -8.390 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.665 -8.716 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.424 -10.000 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.815 -6.335 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.043 -6.456 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.051 -6.906 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.529 -8.786 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.384 -8.563 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.629 -7.259 2.483 1.00 0.00 H new ATOM 951 N LEU A 62 -2.029 -8.493 3.004 1.00 0.00 N ATOM 952 CA LEU A 62 -0.771 -7.888 3.436 1.00 0.00 C ATOM 953 C LEU A 62 0.413 -8.563 2.757 1.00 0.00 C ATOM 954 O LEU A 62 1.408 -7.897 2.468 1.00 0.00 O ATOM 955 CB LEU A 62 -0.604 -8.030 4.960 1.00 0.00 C ATOM 956 CG LEU A 62 -1.546 -7.154 5.804 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.506 -7.637 7.258 1.00 0.00 C ATOM 958 CD2 LEU A 62 -1.160 -5.676 5.762 1.00 0.00 C ATOM 0 H LEU A 62 -2.534 -8.935 3.772 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.799 -6.834 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.763 -9.074 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.426 -7.786 5.221 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.548 -7.247 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.171 -7.022 7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.830 -8.677 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.488 -7.557 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.855 -5.101 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.149 -5.553 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.200 -5.319 4.733 1.00 0.00 H new ATOM 970 N SER A 63 0.317 -9.873 2.523 1.00 0.00 N ATOM 971 CA SER A 63 1.287 -10.590 1.722 1.00 0.00 C ATOM 972 C SER A 63 1.234 -10.066 0.287 1.00 0.00 C ATOM 973 O SER A 63 2.280 -9.694 -0.226 1.00 0.00 O ATOM 974 CB SER A 63 1.028 -12.093 1.791 1.00 0.00 C ATOM 975 OG SER A 63 1.112 -12.558 3.124 1.00 0.00 O ATOM 0 H SER A 63 -0.436 -10.457 2.886 1.00 0.00 H new ATOM 0 HA SER A 63 2.291 -10.422 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.041 -12.315 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.753 -12.620 1.171 1.00 0.00 H new ATOM 0 HG SER A 63 0.358 -12.205 3.642 1.00 0.00 H new ATOM 981 N ASP A 64 0.055 -9.972 -0.343 1.00 0.00 N ATOM 982 CA ASP A 64 -0.093 -9.525 -1.737 1.00 0.00 C ATOM 983 C ASP A 64 0.516 -8.134 -1.957 1.00 0.00 C ATOM 984 O ASP A 64 1.181 -7.900 -2.964 1.00 0.00 O ATOM 985 CB ASP A 64 -1.565 -9.544 -2.174 1.00 0.00 C ATOM 986 CG ASP A 64 -1.773 -9.459 -3.693 1.00 0.00 C ATOM 987 OD1 ASP A 64 -0.929 -9.924 -4.493 1.00 0.00 O ATOM 988 OD2 ASP A 64 -2.872 -9.013 -4.104 1.00 0.00 O ATOM 0 H ASP A 64 -0.832 -10.206 0.104 1.00 0.00 H new ATOM 0 HA ASP A 64 0.458 -10.231 -2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.030 -10.459 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.083 -8.710 -1.701 1.00 0.00 H new ATOM 994 N ALA A 65 0.368 -7.219 -0.987 1.00 0.00 N ATOM 995 CA ALA A 65 1.008 -5.903 -1.027 1.00 0.00 C ATOM 996 C ALA A 65 2.530 -6.048 -1.118 1.00 0.00 C ATOM 997 O ALA A 65 3.166 -5.468 -2.006 1.00 0.00 O ATOM 998 CB ALA A 65 0.589 -5.079 0.195 1.00 0.00 C ATOM 0 H ALA A 65 -0.200 -7.374 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 65 0.678 -5.371 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.070 -4.102 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.493 -4.951 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.892 -5.597 1.105 1.00 0.00 H new ATOM 1004 N GLU A 66 3.120 -6.846 -0.233 1.00 0.00 N ATOM 1005 CA GLU A 66 4.532 -7.167 -0.250 1.00 0.00 C ATOM 1006 C GLU A 66 4.921 -7.831 -1.578 1.00 0.00 C ATOM 1007 O GLU A 66 5.978 -7.527 -2.127 1.00 0.00 O ATOM 1008 CB GLU A 66 4.852 -8.073 0.951 1.00 0.00 C ATOM 1009 CG GLU A 66 6.248 -7.748 1.477 1.00 0.00 C ATOM 1010 CD GLU A 66 6.751 -8.797 2.459 1.00 0.00 C ATOM 1011 OE1 GLU A 66 6.713 -8.570 3.695 1.00 0.00 O ATOM 1012 OE2 GLU A 66 7.222 -9.850 1.988 1.00 0.00 O ATOM 0 H GLU A 66 2.613 -7.294 0.530 1.00 0.00 H new ATOM 0 HA GLU A 66 5.119 -6.252 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.112 -7.926 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.798 -9.120 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.942 -7.674 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.233 -6.774 1.965 1.00 0.00 H new ATOM 1020 N GLU A 67 4.069 -8.706 -2.119 1.00 0.00 N ATOM 1021 CA GLU A 67 4.228 -9.456 -3.364 1.00 0.00 C ATOM 1022 C GLU A 67 4.112 -8.554 -4.602 1.00 0.00 C ATOM 1023 O GLU A 67 4.490 -8.961 -5.701 1.00 0.00 O ATOM 1024 CB GLU A 67 3.210 -10.606 -3.423 1.00 0.00 C ATOM 1025 CG GLU A 67 3.361 -11.624 -2.274 1.00 0.00 C ATOM 1026 CD GLU A 67 3.761 -13.021 -2.730 1.00 0.00 C ATOM 1027 OE1 GLU A 67 4.871 -13.496 -2.382 1.00 0.00 O ATOM 1028 OE2 GLU A 67 2.907 -13.711 -3.338 1.00 0.00 O ATOM 0 H GLU A 67 3.184 -8.924 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 67 5.234 -9.874 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.203 -10.190 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.317 -11.126 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.108 -11.255 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.417 -11.687 -1.732 1.00 0.00 H new ATOM 1036 N ALA A 68 3.620 -7.323 -4.463 1.00 0.00 N ATOM 1037 CA ALA A 68 3.767 -6.277 -5.473 1.00 0.00 C ATOM 1038 C ALA A 68 5.121 -5.623 -5.299 1.00 0.00 C ATOM 1039 O ALA A 68 5.905 -5.543 -6.241 1.00 0.00 O ATOM 1040 CB ALA A 68 2.666 -5.219 -5.374 1.00 0.00 C ATOM 0 H ALA A 68 3.103 -7.022 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 68 3.683 -6.738 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.817 -4.463 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.694 -5.691 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.701 -4.748 -4.392 1.00 0.00 H new ATOM 1046 N ILE A 69 5.398 -5.146 -4.092 1.00 0.00 N ATOM 1047 CA ILE A 69 6.574 -4.344 -3.806 1.00 0.00 C ATOM 1048 C ILE A 69 7.847 -5.135 -4.143 1.00 0.00 C ATOM 1049 O ILE A 69 8.751 -4.582 -4.764 1.00 0.00 O ATOM 1050 CB ILE A 69 6.471 -3.825 -2.356 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.237 -2.898 -2.214 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.733 -3.058 -1.953 1.00 0.00 C ATOM 1053 CD1 ILE A 69 4.811 -2.686 -0.762 1.00 0.00 C ATOM 0 H ILE A 69 4.805 -5.308 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 69 6.632 -3.459 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 69 6.364 -4.686 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.462 -1.932 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.404 -3.324 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.632 -2.704 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.598 -3.717 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.869 -2.206 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.942 -2.028 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.556 -3.646 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.631 -2.232 -0.205 1.00 0.00 H new ATOM 1065 N LYS A 70 7.910 -6.435 -3.843 1.00 0.00 N ATOM 1066 CA LYS A 70 9.050 -7.268 -4.214 1.00 0.00 C ATOM 1067 C LYS A 70 9.147 -7.524 -5.716 1.00 0.00 C ATOM 1068 O LYS A 70 10.249 -7.798 -6.185 1.00 0.00 O ATOM 1069 CB LYS A 70 9.035 -8.600 -3.439 1.00 0.00 C ATOM 1070 CG LYS A 70 7.927 -9.582 -3.843 1.00 0.00 C ATOM 1071 CD LYS A 70 7.834 -10.766 -2.864 1.00 0.00 C ATOM 1072 CE LYS A 70 7.224 -10.368 -1.506 1.00 0.00 C ATOM 1073 NZ LYS A 70 7.829 -11.101 -0.368 1.00 0.00 N ATOM 0 H LYS A 70 7.176 -6.934 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 70 9.940 -6.703 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.999 -9.090 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.934 -8.382 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.971 -9.060 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.120 -9.955 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.230 -11.556 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.830 -11.179 -2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.356 -9.297 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.151 -10.558 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.508 -10.679 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.539 -12.099 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.865 -11.040 -0.427 1.00 0.00 H new ATOM 1087 N LYS A 71 8.061 -7.451 -6.500 1.00 0.00 N ATOM 1088 CA LYS A 71 8.113 -7.946 -7.875 1.00 0.00 C ATOM 1089 C LYS A 71 8.914 -6.997 -8.754 1.00 0.00 C ATOM 1090 O LYS A 71 9.252 -7.366 -9.878 1.00 0.00 O ATOM 1091 CB LYS A 71 6.721 -8.289 -8.433 1.00 0.00 C ATOM 1092 CG LYS A 71 5.901 -7.064 -8.850 1.00 0.00 C ATOM 1093 CD LYS A 71 5.436 -7.088 -10.310 1.00 0.00 C ATOM 1094 CE LYS A 71 4.221 -8.009 -10.501 1.00 0.00 C ATOM 1095 NZ LYS A 71 3.042 -7.300 -11.047 1.00 0.00 N ATOM 0 H LYS A 71 7.162 -7.065 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 71 8.646 -8.897 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.837 -8.947 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.165 -8.847 -7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.027 -6.988 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.498 -6.167 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.181 -6.077 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.253 -7.426 -10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.491 -8.824 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.958 -8.458 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.253 -7.969 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.763 -6.538 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.280 -6.893 -11.974 1.00 0.00 H new ATOM 1109 N ILE A 72 9.229 -5.794 -8.262 1.00 0.00 N ATOM 1110 CA ILE A 72 9.766 -4.699 -9.046 1.00 0.00 C ATOM 1111 C ILE A 72 11.290 -4.844 -9.232 1.00 0.00 C ATOM 1112 O ILE A 72 12.035 -3.884 -9.073 1.00 0.00 O ATOM 1113 CB ILE A 72 9.337 -3.326 -8.475 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.953 -3.268 -7.799 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.407 -2.281 -9.601 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.750 -1.974 -6.994 1.00 0.00 C ATOM 0 H ILE A 72 9.110 -5.558 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 72 9.334 -4.747 -10.046 1.00 0.00 H new ATOM 0 HB ILE A 72 10.039 -3.119 -7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.176 -3.346 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.838 -4.127 -7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.107 -1.308 -9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.427 -2.222 -9.980 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.736 -2.572 -10.409 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.760 -1.981 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.509 -1.908 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.837 -1.115 -7.659 1.00 0.00 H new ATOM 1128 N GLU A 73 11.742 -6.062 -9.531 1.00 0.00 N ATOM 1129 CA GLU A 73 13.053 -6.487 -10.018 1.00 0.00 C ATOM 1130 C GLU A 73 14.264 -5.647 -9.578 1.00 0.00 C ATOM 1131 O GLU A 73 15.163 -5.326 -10.368 1.00 0.00 O ATOM 1132 CB GLU A 73 12.986 -6.733 -11.536 1.00 0.00 C ATOM 1133 CG GLU A 73 12.572 -5.473 -12.290 1.00 0.00 C ATOM 1134 CD GLU A 73 12.955 -5.510 -13.770 1.00 0.00 C ATOM 1135 OE1 GLU A 73 13.868 -4.729 -14.141 1.00 0.00 O ATOM 1136 OE2 GLU A 73 12.321 -6.245 -14.562 1.00 0.00 O ATOM 0 H GLU A 73 11.125 -6.867 -9.425 1.00 0.00 H new ATOM 0 HA GLU A 73 13.266 -7.427 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.959 -7.069 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.276 -7.533 -11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.493 -5.342 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.038 -4.606 -11.821 1.00 0.00 H new ATOM 1144 N GLY A 74 14.315 -5.307 -8.296 1.00 0.00 N ATOM 1145 CA GLY A 74 15.236 -4.313 -7.793 1.00 0.00 C ATOM 1146 C GLY A 74 15.118 -4.208 -6.293 1.00 0.00 C ATOM 1147 O GLY A 74 16.149 -4.212 -5.641 1.00 0.00 O ATOM 0 H GLY A 74 13.715 -5.717 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.257 -4.580 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.025 -3.346 -8.251 1.00 0.00 H new ATOM 1151 N VAL A 75 13.888 -4.127 -5.786 1.00 0.00 N ATOM 1152 CA VAL A 75 13.368 -4.148 -4.423 1.00 0.00 C ATOM 1153 C VAL A 75 13.887 -5.260 -3.539 1.00 0.00 C ATOM 1154 O VAL A 75 13.221 -6.255 -3.263 1.00 0.00 O ATOM 1155 CB VAL A 75 11.868 -3.959 -4.330 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.473 -3.717 -2.894 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.480 -2.810 -5.246 1.00 0.00 C ATOM 0 H VAL A 75 13.108 -4.029 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 75 13.806 -3.250 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 75 11.334 -4.852 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.393 -3.582 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.767 -4.573 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.973 -2.821 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.402 -2.654 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.993 -1.902 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.766 -3.049 -6.270 1.00 0.00 H new ATOM 1167 N ASN A 76 15.166 -5.147 -3.298 1.00 0.00 N ATOM 1168 CA ASN A 76 16.041 -6.112 -2.702 1.00 0.00 C ATOM 1169 C ASN A 76 15.379 -6.790 -1.515 1.00 0.00 C ATOM 1170 O ASN A 76 15.265 -8.012 -1.463 1.00 0.00 O ATOM 1171 CB ASN A 76 17.284 -5.355 -2.248 1.00 0.00 C ATOM 1172 CG ASN A 76 18.237 -6.257 -1.479 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.912 -7.098 -2.058 1.00 0.00 O ATOM 1174 ND2 ASN A 76 18.307 -6.093 -0.170 1.00 0.00 N ATOM 0 H ASN A 76 15.666 -4.292 -3.539 1.00 0.00 H new ATOM 0 HA ASN A 76 16.291 -6.894 -3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.796 -4.940 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.990 -4.515 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.935 -6.675 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.733 -5.384 0.287 1.00 0.00 H new ATOM 1181 N ASN A 77 14.923 -5.946 -0.594 1.00 0.00 N ATOM 1182 CA ASN A 77 14.127 -6.285 0.561 1.00 0.00 C ATOM 1183 C ASN A 77 12.966 -5.313 0.703 1.00 0.00 C ATOM 1184 O ASN A 77 12.911 -4.292 0.012 1.00 0.00 O ATOM 1185 CB ASN A 77 15.009 -6.299 1.806 1.00 0.00 C ATOM 1186 CG ASN A 77 15.665 -4.982 2.145 1.00 0.00 C ATOM 1187 OD1 ASN A 77 16.490 -4.474 1.390 1.00 0.00 O ATOM 1188 ND2 ASN A 77 15.443 -4.497 3.351 1.00 0.00 N ATOM 0 H ASN A 77 15.117 -4.946 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 77 13.705 -7.282 0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.404 -6.615 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.787 -7.050 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.962 -3.681 3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.752 -4.937 3.959 1.00 0.00 H new ATOM 1195 N VAL A 78 12.026 -5.652 1.590 1.00 0.00 N ATOM 1196 CA VAL A 78 10.743 -4.989 1.722 1.00 0.00 C ATOM 1197 C VAL A 78 10.505 -4.788 3.213 1.00 0.00 C ATOM 1198 O VAL A 78 10.508 -5.757 3.970 1.00 0.00 O ATOM 1199 CB VAL A 78 9.640 -5.838 1.053 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.323 -5.059 1.041 1.00 0.00 C ATOM 1201 CG2 VAL A 78 9.954 -6.201 -0.399 1.00 0.00 C ATOM 0 H VAL A 78 12.149 -6.419 2.251 1.00 0.00 H new ATOM 0 HA VAL A 78 10.727 -4.022 1.219 1.00 0.00 H new ATOM 0 HB VAL A 78 9.574 -6.755 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.548 -5.662 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.028 -4.827 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.453 -4.132 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.139 -6.797 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.068 -5.289 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.880 -6.775 -0.438 1.00 0.00 H new ATOM 1211 N GLU A 79 10.339 -3.537 3.636 1.00 0.00 N ATOM 1212 CA GLU A 79 10.172 -3.124 5.024 1.00 0.00 C ATOM 1213 C GLU A 79 8.851 -2.348 5.092 1.00 0.00 C ATOM 1214 O GLU A 79 8.840 -1.119 5.170 1.00 0.00 O ATOM 1215 CB GLU A 79 11.401 -2.286 5.440 1.00 0.00 C ATOM 1216 CG GLU A 79 12.726 -3.063 5.495 1.00 0.00 C ATOM 1217 CD GLU A 79 13.022 -3.591 6.896 1.00 0.00 C ATOM 1218 OE1 GLU A 79 13.426 -2.798 7.777 1.00 0.00 O ATOM 1219 OE2 GLU A 79 12.848 -4.816 7.102 1.00 0.00 O ATOM 0 H GLU A 79 10.316 -2.749 2.989 1.00 0.00 H new ATOM 0 HA GLU A 79 10.119 -3.960 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.511 -1.458 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.211 -1.851 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.686 -3.897 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.540 -2.414 5.173 1.00 0.00 H new ATOM 1227 N VAL A 80 7.722 -3.047 4.944 1.00 0.00 N ATOM 1228 CA VAL A 80 6.408 -2.417 4.911 1.00 0.00 C ATOM 1229 C VAL A 80 5.847 -2.431 6.332 1.00 0.00 C ATOM 1230 O VAL A 80 5.326 -3.440 6.816 1.00 0.00 O ATOM 1231 CB VAL A 80 5.494 -3.074 3.865 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.122 -2.388 3.867 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.071 -2.939 2.450 1.00 0.00 C ATOM 0 H VAL A 80 7.698 -4.062 4.844 1.00 0.00 H new ATOM 0 HA VAL A 80 6.480 -1.379 4.586 1.00 0.00 H new ATOM 0 HB VAL A 80 5.410 -4.128 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.479 -2.858 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.668 -2.485 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.243 -1.332 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.399 -3.415 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.178 -1.883 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.047 -3.423 2.407 1.00 0.00 H new ATOM 1243 N GLU A 81 5.978 -1.289 6.992 1.00 0.00 N ATOM 1244 CA GLU A 81 5.559 -1.043 8.351 1.00 0.00 C ATOM 1245 C GLU A 81 4.050 -0.798 8.344 1.00 0.00 C ATOM 1246 O GLU A 81 3.526 -0.058 7.504 1.00 0.00 O ATOM 1247 CB GLU A 81 6.354 0.167 8.852 1.00 0.00 C ATOM 1248 CG GLU A 81 6.143 0.422 10.340 1.00 0.00 C ATOM 1249 CD GLU A 81 7.113 1.433 10.951 1.00 0.00 C ATOM 1250 OE1 GLU A 81 8.213 1.681 10.402 1.00 0.00 O ATOM 1251 OE2 GLU A 81 6.817 1.907 12.069 1.00 0.00 O ATOM 0 H GLU A 81 6.404 -0.468 6.563 1.00 0.00 H new ATOM 0 HA GLU A 81 5.751 -1.883 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.415 0.007 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.058 1.052 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.124 0.776 10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.237 -0.523 10.875 1.00 0.00 H new ATOM 1259 N LEU A 82 3.350 -1.453 9.274 1.00 0.00 N ATOM 1260 CA LEU A 82 1.898 -1.552 9.306 1.00 0.00 C ATOM 1261 C LEU A 82 1.408 -0.831 10.548 1.00 0.00 C ATOM 1262 O LEU A 82 1.271 -1.393 11.637 1.00 0.00 O ATOM 1263 CB LEU A 82 1.452 -3.016 9.229 1.00 0.00 C ATOM 1264 CG LEU A 82 -0.076 -3.179 9.193 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.709 -2.649 7.904 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.415 -4.662 9.305 1.00 0.00 C ATOM 0 H LEU A 82 3.798 -1.943 10.048 1.00 0.00 H new ATOM 0 HA LEU A 82 1.451 -1.071 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.881 -3.474 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.849 -3.556 10.088 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.476 -2.599 10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.789 -2.794 7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.489 -1.586 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.301 -3.189 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.497 -4.791 9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.034 -5.202 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.024 -5.055 10.244 1.00 0.00 H new ATOM 1278 N THR A 83 1.219 0.466 10.373 1.00 0.00 N ATOM 1279 CA THR A 83 0.971 1.392 11.449 1.00 0.00 C ATOM 1280 C THR A 83 -0.502 1.276 11.837 1.00 0.00 C ATOM 1281 O THR A 83 -1.379 1.634 11.047 1.00 0.00 O ATOM 1282 CB THR A 83 1.345 2.813 10.981 1.00 0.00 C ATOM 1283 OG1 THR A 83 2.405 2.845 10.041 1.00 0.00 O ATOM 1284 CG2 THR A 83 1.795 3.625 12.185 1.00 0.00 C ATOM 0 H THR A 83 1.235 0.908 9.454 1.00 0.00 H new ATOM 0 HA THR A 83 1.577 1.168 12.327 1.00 0.00 H new ATOM 0 HB THR A 83 0.454 3.218 10.501 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.053 2.662 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.062 4.632 11.865 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.984 3.678 12.912 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.662 3.148 12.642 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.797 0.727 13.015 1.00 0.00 N ATOM 1293 CA PHE A 84 -2.171 0.511 13.461 1.00 0.00 C ATOM 1294 C PHE A 84 -2.607 1.474 14.562 1.00 0.00 C ATOM 1295 O PHE A 84 -3.802 1.644 14.790 1.00 0.00 O ATOM 1296 CB PHE A 84 -2.360 -0.956 13.883 1.00 0.00 C ATOM 1297 CG PHE A 84 -3.104 -1.791 12.860 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.408 -1.429 12.469 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.490 -2.908 12.265 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -5.071 -2.150 11.464 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.171 -3.654 11.291 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.451 -3.263 10.874 1.00 0.00 C ATOM 0 H PHE A 84 -0.091 0.420 13.685 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.823 0.725 12.615 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.382 -1.403 14.062 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.902 -0.986 14.828 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.900 -0.593 12.945 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.491 -3.193 12.559 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.058 -1.849 11.145 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.708 -4.531 10.862 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.960 -3.818 10.099 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.659 2.143 15.224 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.937 3.108 16.276 1.00 0.00 C ATOM 1314 C ASP A 85 -2.686 4.321 15.702 1.00 0.00 C ATOM 1315 O ASP A 85 -3.765 4.637 16.212 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.628 3.576 16.934 1.00 0.00 C ATOM 1317 CG ASP A 85 -0.411 2.927 18.298 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -0.730 3.579 19.323 1.00 0.00 O ATOM 1319 OD2 ASP A 85 0.047 1.762 18.318 1.00 0.00 O ATOM 0 H ASP A 85 -0.664 2.023 15.037 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.561 2.625 17.028 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.212 3.337 16.281 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.646 4.660 17.047 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.183 5.024 14.665 1.00 0.00 N ATOM 1326 CA PRO A 86 -2.812 6.245 14.192 1.00 0.00 C ATOM 1327 C PRO A 86 -4.078 5.935 13.374 1.00 0.00 C ATOM 1328 O PRO A 86 -4.175 4.873 12.755 1.00 0.00 O ATOM 1329 CB PRO A 86 -1.765 6.961 13.340 1.00 0.00 C ATOM 1330 CG PRO A 86 -0.966 5.802 12.760 1.00 0.00 C ATOM 1331 CD PRO A 86 -0.973 4.779 13.894 1.00 0.00 C ATOM 0 HA PRO A 86 -3.134 6.870 15.025 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.223 7.569 12.560 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.141 7.626 13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.428 5.406 11.856 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.047 6.103 12.494 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.964 3.763 13.500 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.086 4.887 14.519 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.058 6.848 13.349 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.216 6.739 12.479 1.00 0.00 C ATOM 1341 C PRO A 87 -5.797 7.011 11.029 1.00 0.00 C ATOM 1342 O PRO A 87 -5.173 8.040 10.762 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.224 7.769 12.996 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.467 8.686 13.956 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.095 8.045 14.166 1.00 0.00 C ATOM 0 HA PRO A 87 -6.660 5.743 12.489 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.650 8.340 12.171 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.053 7.277 13.505 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.369 9.689 13.540 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.000 8.784 14.902 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.300 8.733 13.879 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.940 7.800 15.217 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.126 6.110 10.099 1.00 0.00 N ATOM 1354 CA TRP A 88 -5.856 6.274 8.668 1.00 0.00 C ATOM 1355 C TRP A 88 -6.748 7.392 8.101 1.00 0.00 C ATOM 1356 O TRP A 88 -6.322 8.545 8.163 1.00 0.00 O ATOM 1357 CB TRP A 88 -5.924 4.918 7.952 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.185 4.952 6.476 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.379 5.388 5.479 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -7.412 4.530 5.824 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.074 5.360 4.288 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -7.325 4.815 4.436 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -8.591 3.929 6.291 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -8.372 4.537 3.550 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -9.641 3.640 5.412 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -9.537 3.951 4.048 1.00 0.00 C ATOM 0 H TRP A 88 -6.595 5.232 10.323 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.836 6.613 8.489 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.982 4.396 8.120 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.706 4.323 8.423 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.354 5.707 5.598 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.702 5.704 3.402 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.689 3.687 7.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.280 4.772 2.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -10.540 3.173 5.787 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.360 3.737 3.382 1.00 0.00 H new ATOM 1377 N THR A 89 -7.929 7.069 7.548 1.00 0.00 N ATOM 1378 CA THR A 89 -9.158 7.842 7.334 1.00 0.00 C ATOM 1379 C THR A 89 -9.963 7.182 6.191 1.00 0.00 C ATOM 1380 O THR A 89 -9.455 7.101 5.076 1.00 0.00 O ATOM 1381 CB THR A 89 -8.901 9.349 7.138 1.00 0.00 C ATOM 1382 OG1 THR A 89 -8.671 9.949 8.397 1.00 0.00 O ATOM 1383 CG2 THR A 89 -10.025 10.148 6.489 1.00 0.00 C ATOM 0 H THR A 89 -8.057 6.122 7.191 1.00 0.00 H new ATOM 0 HA THR A 89 -9.765 7.812 8.239 1.00 0.00 H new ATOM 0 HB THR A 89 -8.050 9.382 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.803 9.657 8.745 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.727 11.193 6.405 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.229 9.748 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.924 10.075 7.101 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.232 6.779 6.376 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.012 6.113 5.331 1.00 0.00 C ATOM 1393 C PRO A 90 -12.525 7.102 4.275 1.00 0.00 C ATOM 1394 O PRO A 90 -13.138 6.699 3.285 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.119 5.402 6.103 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.428 6.391 7.222 1.00 0.00 C ATOM 1397 CD PRO A 90 -12.104 7.108 7.490 1.00 0.00 C ATOM 0 HA PRO A 90 -11.426 5.409 4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.991 5.211 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.788 4.439 6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.205 7.095 6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.787 5.878 8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.253 8.185 7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.669 6.782 8.435 1.00 0.00 H new ATOM 1405 N GLU A 91 -12.262 8.398 4.469 1.00 0.00 N ATOM 1406 CA GLU A 91 -12.437 9.438 3.480 1.00 0.00 C ATOM 1407 C GLU A 91 -11.354 9.415 2.404 1.00 0.00 C ATOM 1408 O GLU A 91 -11.564 10.013 1.356 1.00 0.00 O ATOM 1409 CB GLU A 91 -12.413 10.794 4.209 1.00 0.00 C ATOM 1410 CG GLU A 91 -13.406 11.776 3.603 1.00 0.00 C ATOM 1411 CD GLU A 91 -12.891 12.752 2.538 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -13.730 13.176 1.707 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -11.699 13.151 2.547 1.00 0.00 O ATOM 0 H GLU A 91 -11.908 8.753 5.357 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.387 9.274 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.646 10.645 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.409 11.215 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.220 11.200 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.834 12.363 4.416 1.00 0.00 H new ATOM 1421 N ARG A 92 -10.210 8.747 2.622 1.00 0.00 N ATOM 1422 CA ARG A 92 -9.115 8.850 1.656 1.00 0.00 C ATOM 1423 C ARG A 92 -9.438 8.166 0.326 1.00 0.00 C ATOM 1424 O ARG A 92 -8.806 8.462 -0.686 1.00 0.00 O ATOM 1425 CB ARG A 92 -7.787 8.313 2.224 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.305 9.080 3.463 1.00 0.00 C ATOM 1427 CD ARG A 92 -5.777 9.057 3.573 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.305 9.870 4.706 1.00 0.00 N ATOM 1429 CZ ARG A 92 -4.081 10.393 4.846 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -3.081 10.059 4.048 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -3.849 11.258 5.823 1.00 0.00 N ATOM 0 H ARG A 92 -10.026 8.151 3.429 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.995 9.916 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.908 7.261 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.021 8.366 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.653 10.112 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.743 8.640 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.435 8.029 3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.339 9.431 2.648 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.974 10.052 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.230 9.384 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.160 10.477 4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.600 11.520 6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.919 11.661 5.937 1.00 0.00 H new ATOM 1445 N MET A 93 -10.415 7.264 0.347 1.00 0.00 N ATOM 1446 CA MET A 93 -10.867 6.407 -0.735 1.00 0.00 C ATOM 1447 C MET A 93 -11.321 7.179 -1.977 1.00 0.00 C ATOM 1448 O MET A 93 -11.384 8.414 -2.013 1.00 0.00 O ATOM 1449 CB MET A 93 -11.986 5.523 -0.166 1.00 0.00 C ATOM 1450 CG MET A 93 -11.393 4.330 0.593 1.00 0.00 C ATOM 1451 SD MET A 93 -12.519 3.319 1.607 1.00 0.00 S ATOM 1452 CE MET A 93 -14.170 3.995 1.265 1.00 0.00 C ATOM 0 H MET A 93 -10.955 7.103 1.197 1.00 0.00 H new ATOM 0 HA MET A 93 -10.033 5.802 -1.090 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.617 6.109 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.623 5.167 -0.975 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.918 3.673 -0.136 1.00 0.00 H new ATOM 0 HG3 MET A 93 -10.604 4.707 1.244 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.927 3.348 1.708 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.250 4.994 1.695 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.325 4.050 0.187 1.00 0.00 H new ATOM 1462 N SER A 94 -11.661 6.435 -3.029 1.00 0.00 N ATOM 1463 CA SER A 94 -12.112 6.972 -4.299 1.00 0.00 C ATOM 1464 C SER A 94 -13.332 7.875 -4.100 1.00 0.00 C ATOM 1465 O SER A 94 -14.164 7.583 -3.233 1.00 0.00 O ATOM 1466 CB SER A 94 -12.484 5.825 -5.241 1.00 0.00 C ATOM 1467 OG SER A 94 -11.456 4.851 -5.318 1.00 0.00 O ATOM 0 H SER A 94 -11.627 5.416 -3.014 1.00 0.00 H new ATOM 0 HA SER A 94 -11.303 7.560 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.405 5.355 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.683 6.222 -6.236 1.00 0.00 H new ATOM 0 HG SER A 94 -11.730 4.134 -5.927 1.00 0.00 H new ATOM 1473 N PRO A 95 -13.519 8.903 -4.941 1.00 0.00 N ATOM 1474 CA PRO A 95 -14.676 9.783 -4.846 1.00 0.00 C ATOM 1475 C PRO A 95 -15.971 9.007 -5.081 1.00 0.00 C ATOM 1476 O PRO A 95 -16.983 9.289 -4.435 1.00 0.00 O ATOM 1477 CB PRO A 95 -14.420 10.869 -5.887 1.00 0.00 C ATOM 1478 CG PRO A 95 -13.579 10.166 -6.945 1.00 0.00 C ATOM 1479 CD PRO A 95 -12.699 9.257 -6.093 1.00 0.00 C ATOM 0 HA PRO A 95 -14.802 10.223 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.352 11.250 -6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.892 11.720 -5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.193 9.600 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.990 10.870 -7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.396 8.369 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.787 9.768 -5.785 1.00 0.00 H new ATOM 1487 N GLU A 96 -15.942 7.963 -5.917 1.00 0.00 N ATOM 1488 CA GLU A 96 -17.097 7.150 -6.186 1.00 0.00 C ATOM 1489 C GLU A 96 -17.489 6.339 -4.969 1.00 0.00 C ATOM 1490 O GLU A 96 -18.621 5.881 -4.905 1.00 0.00 O ATOM 1491 CB GLU A 96 -16.853 6.249 -7.396 1.00 0.00 C ATOM 1492 CG GLU A 96 -16.090 4.950 -7.142 1.00 0.00 C ATOM 1493 CD GLU A 96 -16.310 3.984 -8.303 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -17.300 3.212 -8.244 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -15.539 4.050 -9.292 1.00 0.00 O ATOM 0 H GLU A 96 -15.105 7.670 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.930 7.812 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -17.819 5.996 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -16.306 6.824 -8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.026 5.159 -7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.427 4.496 -6.210 1.00 0.00 H new ATOM 1503 N LEU A 97 -16.568 6.090 -4.034 1.00 0.00 N ATOM 1504 CA LEU A 97 -16.915 5.365 -2.831 1.00 0.00 C ATOM 1505 C LEU A 97 -17.428 6.307 -1.773 1.00 0.00 C ATOM 1506 O LEU A 97 -18.359 5.924 -1.081 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.777 4.553 -2.230 1.00 0.00 C ATOM 1508 CG LEU A 97 -15.261 3.429 -3.126 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -14.232 2.667 -2.310 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -16.352 2.454 -3.586 1.00 0.00 C ATOM 0 H LEU A 97 -15.592 6.379 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.684 4.660 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.950 5.225 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -16.113 4.123 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.852 3.871 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.829 1.848 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.424 3.340 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.704 2.265 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.909 1.684 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.814 1.988 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.110 2.996 -4.152 1.00 0.00 H new ATOM 1522 N ARG A 98 -16.847 7.504 -1.639 1.00 0.00 N ATOM 1523 CA ARG A 98 -17.279 8.441 -0.609 1.00 0.00 C ATOM 1524 C ARG A 98 -18.774 8.711 -0.757 1.00 0.00 C ATOM 1525 O ARG A 98 -19.500 8.537 0.217 1.00 0.00 O ATOM 1526 CB ARG A 98 -16.437 9.728 -0.639 1.00 0.00 C ATOM 1527 CG ARG A 98 -15.049 9.477 -0.019 1.00 0.00 C ATOM 1528 CD ARG A 98 -13.893 10.046 -0.848 1.00 0.00 C ATOM 1529 NE ARG A 98 -13.698 11.482 -0.630 1.00 0.00 N ATOM 1530 CZ ARG A 98 -12.953 12.328 -1.346 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -12.377 11.955 -2.486 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -12.787 13.560 -0.891 1.00 0.00 N ATOM 0 H ARG A 98 -16.084 7.840 -2.227 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.117 7.998 0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -16.326 10.074 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -16.950 10.518 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.021 9.917 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -14.904 8.404 0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.975 9.516 -0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.086 9.865 -1.906 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.192 11.885 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.500 11.003 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.813 12.621 -3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.223 13.843 -0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.223 14.227 -1.418 1.00 0.00 H new ATOM 1546 N GLU A 99 -19.235 8.995 -1.977 1.00 0.00 N ATOM 1547 CA GLU A 99 -20.651 9.263 -2.217 1.00 0.00 C ATOM 1548 C GLU A 99 -21.495 7.986 -2.129 1.00 0.00 C ATOM 1549 O GLU A 99 -22.583 7.999 -1.563 1.00 0.00 O ATOM 1550 CB GLU A 99 -20.823 9.931 -3.588 1.00 0.00 C ATOM 1551 CG GLU A 99 -20.201 11.334 -3.592 1.00 0.00 C ATOM 1552 CD GLU A 99 -20.594 12.149 -4.815 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -20.472 11.642 -5.959 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -21.008 13.314 -4.640 1.00 0.00 O ATOM 0 H GLU A 99 -18.649 9.045 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 99 -21.007 9.937 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -20.354 9.318 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.883 9.997 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.510 11.866 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -19.115 11.245 -3.554 1.00 0.00 H new ATOM 1562 N LYS A 100 -21.015 6.871 -2.691 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.686 5.565 -2.672 1.00 0.00 C ATOM 1564 C LYS A 100 -21.951 5.109 -1.235 1.00 0.00 C ATOM 1565 O LYS A 100 -23.103 4.851 -0.884 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.822 4.611 -3.488 1.00 0.00 C ATOM 1567 CG LYS A 100 -21.323 3.181 -3.586 1.00 0.00 C ATOM 1568 CD LYS A 100 -20.237 2.242 -4.118 1.00 0.00 C ATOM 1569 CE LYS A 100 -19.876 2.249 -5.620 1.00 0.00 C ATOM 1570 NZ LYS A 100 -19.222 3.468 -6.153 1.00 0.00 N ATOM 0 H LYS A 100 -20.123 6.851 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.676 5.605 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.726 5.012 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.822 4.596 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -21.650 2.841 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -22.192 3.143 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.323 2.457 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -20.534 1.225 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.219 1.401 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.791 2.080 -6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.894 3.989 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.921 4.074 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.392 3.198 -6.718 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.902 5.004 -0.423 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.975 4.580 0.968 1.00 0.00 C ATOM 1586 C PHE A 101 -21.731 5.639 1.774 1.00 0.00 C ATOM 1587 O PHE A 101 -22.631 5.302 2.544 1.00 0.00 O ATOM 1588 CB PHE A 101 -19.558 4.359 1.540 1.00 0.00 C ATOM 1589 CG PHE A 101 -18.835 3.073 1.139 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -18.960 2.501 -0.146 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -18.026 2.419 2.091 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -18.379 1.255 -0.434 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -17.423 1.183 1.800 1.00 0.00 C ATOM 1594 CZ PHE A 101 -17.622 0.586 0.543 1.00 0.00 C ATOM 0 H PHE A 101 -19.952 5.218 -0.726 1.00 0.00 H new ATOM 0 HA PHE A 101 -21.510 3.632 1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.937 5.203 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -19.625 4.384 2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -19.507 3.026 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -17.867 2.874 3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -18.514 0.810 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -16.808 0.693 2.541 1.00 0.00 H new ATOM 0 HZ PHE A 101 -17.195 -0.383 0.329 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.385 6.914 1.592 1.00 0.00 N ATOM 1605 CA GLY A 102 -21.863 8.016 2.404 1.00 0.00 C ATOM 1606 C GLY A 102 -20.837 8.253 3.500 1.00 0.00 C ATOM 1607 O GLY A 102 -20.884 7.602 4.553 1.00 0.00 O ATOM 0 H GLY A 102 -20.746 7.209 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -21.990 8.913 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.837 7.781 2.834 1.00 0.00 H new ATOM 1611 N VAL A 103 -19.872 9.131 3.234 1.00 0.00 N ATOM 1612 CA VAL A 103 -18.878 9.584 4.192 1.00 0.00 C ATOM 1613 C VAL A 103 -19.218 11.024 4.522 1.00 0.00 C ATOM 1614 O VAL A 103 -19.468 11.810 3.581 1.00 0.00 O ATOM 1615 CB VAL A 103 -17.463 9.399 3.612 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.398 9.734 4.662 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.232 7.941 3.178 1.00 0.00 C ATOM 0 H VAL A 103 -19.761 9.558 2.314 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.889 9.001 5.113 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.382 10.068 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.406 9.597 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -16.515 10.770 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.515 9.074 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.226 7.837 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.346 7.283 4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.961 7.669 2.415 1.00 0.00 H new TER 1627 VAL A 103