USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 824 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 7 THR OG1 : rot 55:sc= 1.22 USER MOD Set 1.2: A 64 ASN : amide:sc= 2.18 K(o=3.4,f=-1.5!) USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.014 (180deg=0) USER MOD Single : A 1 SER OG : rot -53:sc= 1.3 USER MOD Single : A 10 ASN : amide:sc= 0.848 K(o=0.85,f=-4.3!) USER MOD Single : A 13 SER OG : rot -69:sc= 1.28 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 164:sc= 0 (180deg=-0.175) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0124 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 72:sc= 0.351 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 158:sc= 1.25 USER MOD Single : A 48 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.22) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -24:sc= 1.19 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 67 THR OG1 : rot -80:sc= 1.15 USER MOD Single : A 69 ASN : amide:sc= 0.79 K(o=0.79,f=-0.046) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 129:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 2.04 (180deg=1.94) USER MOD Single : A 91 TYR OH : rot 163:sc= 1.22 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 89:sc= 1.3 USER MOD Single : A 103 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.845 K(o=0.85,f=0) USER MOD Single : A 112 SER OG : rot 60:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.528 0.871 15.238 1.00 0.00 N ATOM 2 CA SER A 1 -3.161 1.023 13.813 1.00 0.00 C ATOM 3 C SER A 1 -2.383 -0.179 13.302 1.00 0.00 C ATOM 4 O SER A 1 -1.634 -0.813 14.046 1.00 0.00 O ATOM 5 CB SER A 1 -2.356 2.308 13.566 1.00 0.00 C ATOM 6 OG SER A 1 -3.196 3.438 13.717 1.00 0.00 O ATOM 0 H1 SER A 1 -4.555 0.728 15.319 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.032 0.050 15.639 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.256 1.728 15.760 1.00 0.00 H new ATOM 0 HA SER A 1 -4.097 1.091 13.259 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.523 2.366 14.267 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.928 2.293 12.563 1.00 0.00 H new ATOM 0 HG SER A 1 -3.986 3.337 13.146 1.00 0.00 H new ATOM 14 N ASP A 2 -2.557 -0.492 12.011 1.00 0.00 N ATOM 15 CA ASP A 2 -2.066 -1.725 11.367 1.00 0.00 C ATOM 16 C ASP A 2 -1.291 -1.463 10.054 1.00 0.00 C ATOM 17 O ASP A 2 -0.921 -2.405 9.347 1.00 0.00 O ATOM 18 CB ASP A 2 -3.267 -2.670 11.146 1.00 0.00 C ATOM 19 CG ASP A 2 -3.810 -3.222 12.472 1.00 0.00 C ATOM 20 OD1 ASP A 2 -4.594 -2.518 13.155 1.00 0.00 O ATOM 21 OD2 ASP A 2 -3.445 -4.365 12.843 1.00 0.00 O ATOM 0 H ASP A 2 -3.056 0.120 11.365 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.339 -2.194 12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.060 -2.134 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.965 -3.498 10.504 1.00 0.00 H new ATOM 26 N VAL A 3 -1.024 -0.190 9.737 1.00 0.00 N ATOM 27 CA VAL A 3 -0.349 0.270 8.508 1.00 0.00 C ATOM 28 C VAL A 3 1.045 0.813 8.842 1.00 0.00 C ATOM 29 O VAL A 3 1.215 1.590 9.787 1.00 0.00 O ATOM 30 CB VAL A 3 -1.185 1.366 7.813 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.463 2.021 6.629 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.503 0.786 7.286 1.00 0.00 C ATOM 0 H VAL A 3 -1.281 0.582 10.352 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.248 -0.578 7.831 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.360 2.124 8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.106 2.782 6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.460 2.484 6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.229 1.263 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.078 1.574 6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.291 -0.005 6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.078 0.377 8.116 1.00 0.00 H new ATOM 42 N LEU A 4 2.042 0.436 8.042 1.00 0.00 N ATOM 43 CA LEU A 4 3.417 0.938 8.132 1.00 0.00 C ATOM 44 C LEU A 4 3.532 2.365 7.551 1.00 0.00 C ATOM 45 O LEU A 4 2.922 2.701 6.534 1.00 0.00 O ATOM 46 CB LEU A 4 4.352 -0.031 7.377 1.00 0.00 C ATOM 47 CG LEU A 4 4.781 -1.322 8.098 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.710 -1.013 9.274 1.00 0.00 C ATOM 49 CD2 LEU A 4 3.621 -2.178 8.606 1.00 0.00 C ATOM 0 H LEU A 4 1.915 -0.245 7.293 1.00 0.00 H new ATOM 0 HA LEU A 4 3.709 0.991 9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.860 -0.315 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.254 0.517 7.106 1.00 0.00 H new ATOM 0 HG LEU A 4 5.300 -1.902 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.997 -1.943 9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.602 -0.505 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.193 -0.371 9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.014 -3.067 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.026 -1.601 9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.994 -2.477 7.766 1.00 0.00 H new ATOM 61 N GLU A 5 4.391 3.187 8.152 1.00 0.00 N ATOM 62 CA GLU A 5 4.686 4.566 7.734 1.00 0.00 C ATOM 63 C GLU A 5 6.199 4.706 7.503 1.00 0.00 C ATOM 64 O GLU A 5 6.995 4.835 8.438 1.00 0.00 O ATOM 65 CB GLU A 5 4.078 5.589 8.710 1.00 0.00 C ATOM 66 CG GLU A 5 4.376 5.378 10.205 1.00 0.00 C ATOM 67 CD GLU A 5 3.736 6.490 11.053 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.570 6.342 11.498 1.00 0.00 O ATOM 69 OE2 GLU A 5 4.397 7.525 11.308 1.00 0.00 O ATOM 0 H GLU A 5 4.923 2.905 8.975 1.00 0.00 H new ATOM 0 HA GLU A 5 4.204 4.791 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.433 6.580 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.996 5.587 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.995 4.408 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.454 5.366 10.367 1.00 0.00 H new ATOM 76 N LEU A 6 6.588 4.612 6.227 1.00 0.00 N ATOM 77 CA LEU A 6 7.978 4.468 5.789 1.00 0.00 C ATOM 78 C LEU A 6 8.534 5.719 5.081 1.00 0.00 C ATOM 79 O LEU A 6 7.809 6.636 4.689 1.00 0.00 O ATOM 80 CB LEU A 6 8.079 3.207 4.900 1.00 0.00 C ATOM 81 CG LEU A 6 7.568 1.907 5.552 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.760 0.739 4.583 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.281 1.583 6.864 1.00 0.00 C ATOM 0 H LEU A 6 5.926 4.635 5.451 1.00 0.00 H new ATOM 0 HA LEU A 6 8.606 4.355 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.516 3.381 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.121 3.066 4.612 1.00 0.00 H new ATOM 0 HG LEU A 6 6.512 2.058 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.399 -0.180 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.200 0.930 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.819 0.634 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.880 0.658 7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.349 1.465 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.124 2.395 7.574 1.00 0.00 H new ATOM 95 N THR A 7 9.862 5.740 4.928 1.00 0.00 N ATOM 96 CA THR A 7 10.654 6.823 4.329 1.00 0.00 C ATOM 97 C THR A 7 11.948 6.254 3.743 1.00 0.00 C ATOM 98 O THR A 7 12.421 5.205 4.180 1.00 0.00 O ATOM 99 CB THR A 7 10.934 7.931 5.372 1.00 0.00 C ATOM 100 OG1 THR A 7 11.798 8.938 4.887 1.00 0.00 O ATOM 101 CG2 THR A 7 11.563 7.423 6.677 1.00 0.00 C ATOM 0 H THR A 7 10.446 4.962 5.234 1.00 0.00 H new ATOM 0 HA THR A 7 10.088 7.279 3.517 1.00 0.00 H new ATOM 0 HB THR A 7 9.938 8.327 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.439 9.302 4.051 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.727 8.262 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.893 6.703 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.516 6.942 6.458 1.00 0.00 H new ATOM 109 N ASP A 8 12.542 6.948 2.771 1.00 0.00 N ATOM 110 CA ASP A 8 13.734 6.524 2.014 1.00 0.00 C ATOM 111 C ASP A 8 14.938 6.106 2.887 1.00 0.00 C ATOM 112 O ASP A 8 15.757 5.280 2.475 1.00 0.00 O ATOM 113 CB ASP A 8 14.142 7.677 1.092 1.00 0.00 C ATOM 114 CG ASP A 8 15.046 7.207 -0.063 1.00 0.00 C ATOM 115 OD1 ASP A 8 14.529 6.565 -1.012 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.261 7.515 -0.046 1.00 0.00 O ATOM 0 H ASP A 8 12.196 7.860 2.473 1.00 0.00 H new ATOM 0 HA ASP A 8 13.458 5.628 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.247 8.147 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.664 8.437 1.673 1.00 0.00 H new ATOM 121 N ASP A 9 15.029 6.640 4.112 1.00 0.00 N ATOM 122 CA ASP A 9 16.034 6.289 5.130 1.00 0.00 C ATOM 123 C ASP A 9 16.032 4.801 5.538 1.00 0.00 C ATOM 124 O ASP A 9 17.070 4.277 5.950 1.00 0.00 O ATOM 125 CB ASP A 9 15.793 7.174 6.361 1.00 0.00 C ATOM 126 CG ASP A 9 16.910 7.045 7.409 1.00 0.00 C ATOM 127 OD1 ASP A 9 18.040 7.520 7.150 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.653 6.494 8.505 1.00 0.00 O ATOM 0 H ASP A 9 14.380 7.357 4.436 1.00 0.00 H new ATOM 0 HA ASP A 9 17.016 6.464 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.714 8.214 6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.840 6.905 6.816 1.00 0.00 H new ATOM 133 N ASN A 10 14.887 4.113 5.426 1.00 0.00 N ATOM 134 CA ASN A 10 14.735 2.701 5.823 1.00 0.00 C ATOM 135 C ASN A 10 13.843 1.831 4.917 1.00 0.00 C ATOM 136 O ASN A 10 13.916 0.602 5.015 1.00 0.00 O ATOM 137 CB ASN A 10 14.302 2.617 7.300 1.00 0.00 C ATOM 138 CG ASN A 10 12.804 2.751 7.524 1.00 0.00 C ATOM 139 OD1 ASN A 10 12.109 1.767 7.727 1.00 0.00 O ATOM 140 ND2 ASN A 10 12.255 3.938 7.520 1.00 0.00 N ATOM 0 H ASN A 10 14.030 4.523 5.054 1.00 0.00 H new ATOM 0 HA ASN A 10 15.723 2.259 5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.634 1.663 7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.812 3.400 7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.253 4.037 7.686 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.828 4.765 7.351 1.00 0.00 H new ATOM 147 N PHE A 11 13.036 2.419 4.025 1.00 0.00 N ATOM 148 CA PHE A 11 12.101 1.714 3.135 1.00 0.00 C ATOM 149 C PHE A 11 12.720 0.502 2.411 1.00 0.00 C ATOM 150 O PHE A 11 12.125 -0.571 2.391 1.00 0.00 O ATOM 151 CB PHE A 11 11.533 2.736 2.134 1.00 0.00 C ATOM 152 CG PHE A 11 10.629 2.150 1.063 1.00 0.00 C ATOM 153 CD1 PHE A 11 9.271 1.905 1.346 1.00 0.00 C ATOM 154 CD2 PHE A 11 11.134 1.845 -0.219 1.00 0.00 C ATOM 155 CE1 PHE A 11 8.424 1.356 0.369 1.00 0.00 C ATOM 156 CE2 PHE A 11 10.280 1.309 -1.203 1.00 0.00 C ATOM 157 CZ PHE A 11 8.929 1.057 -0.910 1.00 0.00 C ATOM 0 H PHE A 11 13.014 3.431 3.898 1.00 0.00 H new ATOM 0 HA PHE A 11 11.306 1.289 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.974 3.492 2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.364 3.246 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.877 2.142 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.175 2.022 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.386 1.164 0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.666 1.091 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.281 0.635 -1.664 1.00 0.00 H new ATOM 167 N GLU A 12 13.960 0.639 1.930 1.00 0.00 N ATOM 168 CA GLU A 12 14.745 -0.395 1.228 1.00 0.00 C ATOM 169 C GLU A 12 14.907 -1.727 1.979 1.00 0.00 C ATOM 170 O GLU A 12 15.111 -2.777 1.366 1.00 0.00 O ATOM 171 CB GLU A 12 16.135 0.173 0.896 1.00 0.00 C ATOM 172 CG GLU A 12 16.941 0.697 2.097 1.00 0.00 C ATOM 173 CD GLU A 12 18.376 1.068 1.687 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.609 2.204 1.202 1.00 0.00 O ATOM 175 OE2 GLU A 12 19.295 0.228 1.862 1.00 0.00 O ATOM 0 H GLU A 12 14.473 1.516 2.022 1.00 0.00 H new ATOM 0 HA GLU A 12 14.174 -0.639 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.717 -0.605 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.015 0.985 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.443 1.570 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.968 -0.062 2.879 1.00 0.00 H new ATOM 182 N SER A 13 14.820 -1.690 3.307 1.00 0.00 N ATOM 183 CA SER A 13 14.898 -2.868 4.192 1.00 0.00 C ATOM 184 C SER A 13 13.560 -3.586 4.434 1.00 0.00 C ATOM 185 O SER A 13 13.551 -4.737 4.890 1.00 0.00 O ATOM 186 CB SER A 13 15.484 -2.442 5.542 1.00 0.00 C ATOM 187 OG SER A 13 14.571 -1.645 6.280 1.00 0.00 O ATOM 0 H SER A 13 14.689 -0.818 3.820 1.00 0.00 H new ATOM 0 HA SER A 13 15.535 -3.586 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.746 -3.327 6.121 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.406 -1.884 5.379 1.00 0.00 H new ATOM 0 HG SER A 13 14.462 -0.778 5.837 1.00 0.00 H new ATOM 193 N ARG A 14 12.428 -2.932 4.145 1.00 0.00 N ATOM 194 CA ARG A 14 11.076 -3.390 4.533 1.00 0.00 C ATOM 195 C ARG A 14 10.322 -4.128 3.434 1.00 0.00 C ATOM 196 O ARG A 14 9.481 -4.977 3.732 1.00 0.00 O ATOM 197 CB ARG A 14 10.222 -2.175 4.921 1.00 0.00 C ATOM 198 CG ARG A 14 10.840 -1.250 5.980 1.00 0.00 C ATOM 199 CD ARG A 14 11.214 -1.967 7.279 1.00 0.00 C ATOM 200 NE ARG A 14 11.714 -1.008 8.274 1.00 0.00 N ATOM 201 CZ ARG A 14 12.164 -1.278 9.485 1.00 0.00 C ATOM 202 NH1 ARG A 14 12.212 -2.495 9.961 1.00 0.00 N ATOM 203 NH2 ARG A 14 12.574 -0.312 10.258 1.00 0.00 N ATOM 0 H ARG A 14 12.419 -2.054 3.626 1.00 0.00 H new ATOM 0 HA ARG A 14 11.231 -4.086 5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.023 -1.590 4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.260 -2.531 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.732 -0.781 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.135 -0.450 6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.344 -2.490 7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.975 -2.721 7.078 1.00 0.00 H new ATOM 0 HE ARG A 14 11.713 -0.026 7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.894 -3.279 9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.567 -2.661 10.903 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.547 0.652 9.927 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.922 -0.520 11.194 1.00 0.00 H new ATOM 217 N ILE A 15 10.609 -3.813 2.169 1.00 0.00 N ATOM 218 CA ILE A 15 9.823 -4.300 1.018 1.00 0.00 C ATOM 219 C ILE A 15 9.824 -5.829 0.884 1.00 0.00 C ATOM 220 O ILE A 15 8.909 -6.417 0.311 1.00 0.00 O ATOM 221 CB ILE A 15 10.204 -3.586 -0.298 1.00 0.00 C ATOM 222 CG1 ILE A 15 11.389 -4.203 -1.068 1.00 0.00 C ATOM 223 CG2 ILE A 15 10.432 -2.080 -0.075 1.00 0.00 C ATOM 224 CD1 ILE A 15 12.742 -4.153 -0.354 1.00 0.00 C ATOM 0 H ILE A 15 11.392 -3.214 1.907 1.00 0.00 H new ATOM 0 HA ILE A 15 8.789 -4.029 1.230 1.00 0.00 H new ATOM 0 HB ILE A 15 9.337 -3.736 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.153 -5.244 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.484 -3.689 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.698 -1.608 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.519 -1.627 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.240 -1.937 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 15 13.503 -4.613 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.012 -3.115 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.676 -4.695 0.590 1.00 0.00 H new ATOM 236 N SER A 16 10.851 -6.462 1.450 1.00 0.00 N ATOM 237 CA SER A 16 11.070 -7.916 1.442 1.00 0.00 C ATOM 238 C SER A 16 10.203 -8.684 2.455 1.00 0.00 C ATOM 239 O SER A 16 10.140 -9.914 2.412 1.00 0.00 O ATOM 240 CB SER A 16 12.545 -8.218 1.745 1.00 0.00 C ATOM 241 OG SER A 16 13.415 -7.549 0.843 1.00 0.00 O ATOM 0 H SER A 16 11.586 -5.959 1.948 1.00 0.00 H new ATOM 0 HA SER A 16 10.783 -8.255 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.776 -7.914 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.716 -9.293 1.686 1.00 0.00 H new ATOM 0 HG SER A 16 14.345 -7.763 1.066 1.00 0.00 H new ATOM 247 N ASP A 17 9.524 -7.985 3.373 1.00 0.00 N ATOM 248 CA ASP A 17 8.718 -8.558 4.463 1.00 0.00 C ATOM 249 C ASP A 17 7.314 -9.025 4.004 1.00 0.00 C ATOM 250 O ASP A 17 6.334 -8.917 4.746 1.00 0.00 O ATOM 251 CB ASP A 17 8.660 -7.541 5.616 1.00 0.00 C ATOM 252 CG ASP A 17 8.169 -8.144 6.947 1.00 0.00 C ATOM 253 OD1 ASP A 17 8.607 -9.262 7.317 1.00 0.00 O ATOM 254 OD2 ASP A 17 7.378 -7.475 7.657 1.00 0.00 O ATOM 0 H ASP A 17 9.520 -6.965 3.379 1.00 0.00 H new ATOM 0 HA ASP A 17 9.201 -9.470 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.652 -7.115 5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.000 -6.721 5.333 1.00 0.00 H new ATOM 259 N THR A 18 7.202 -9.490 2.756 1.00 0.00 N ATOM 260 CA THR A 18 5.970 -9.933 2.093 1.00 0.00 C ATOM 261 C THR A 18 5.194 -10.969 2.908 1.00 0.00 C ATOM 262 O THR A 18 5.770 -11.840 3.571 1.00 0.00 O ATOM 263 CB THR A 18 6.268 -10.528 0.702 1.00 0.00 C ATOM 264 OG1 THR A 18 7.227 -11.561 0.749 1.00 0.00 O ATOM 265 CG2 THR A 18 6.797 -9.487 -0.274 1.00 0.00 C ATOM 0 H THR A 18 8.015 -9.572 2.146 1.00 0.00 H new ATOM 0 HA THR A 18 5.353 -9.039 1.996 1.00 0.00 H new ATOM 0 HB THR A 18 5.307 -10.916 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.380 -11.906 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.991 -9.957 -1.238 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.058 -8.696 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.722 -9.061 0.114 1.00 0.00 H new ATOM 273 N GLY A 19 3.866 -10.886 2.821 1.00 0.00 N ATOM 274 CA GLY A 19 2.949 -11.788 3.511 1.00 0.00 C ATOM 275 C GLY A 19 2.740 -13.121 2.778 1.00 0.00 C ATOM 276 O GLY A 19 3.374 -13.391 1.754 1.00 0.00 O ATOM 0 H GLY A 19 3.392 -10.178 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.332 -11.988 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.985 -11.293 3.631 1.00 0.00 H new ATOM 280 N SER A 20 1.839 -13.957 3.299 1.00 0.00 N ATOM 281 CA SER A 20 1.534 -15.300 2.773 1.00 0.00 C ATOM 282 C SER A 20 1.127 -15.347 1.287 1.00 0.00 C ATOM 283 O SER A 20 1.335 -16.373 0.633 1.00 0.00 O ATOM 284 CB SER A 20 0.431 -15.967 3.602 1.00 0.00 C ATOM 285 OG SER A 20 0.812 -16.067 4.968 1.00 0.00 O ATOM 0 H SER A 20 1.284 -13.717 4.120 1.00 0.00 H new ATOM 0 HA SER A 20 2.477 -15.841 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.491 -15.391 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.223 -16.960 3.205 1.00 0.00 H new ATOM 0 HG SER A 20 0.092 -16.494 5.478 1.00 0.00 H new ATOM 291 N ALA A 21 0.579 -14.260 0.728 1.00 0.00 N ATOM 292 CA ALA A 21 0.271 -14.137 -0.701 1.00 0.00 C ATOM 293 C ALA A 21 1.512 -13.986 -1.614 1.00 0.00 C ATOM 294 O ALA A 21 1.393 -14.142 -2.834 1.00 0.00 O ATOM 295 CB ALA A 21 -0.678 -12.955 -0.883 1.00 0.00 C ATOM 0 H ALA A 21 0.334 -13.429 1.266 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.192 -15.072 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.922 -12.843 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.592 -13.132 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.198 -12.045 -0.523 1.00 0.00 H new ATOM 301 N GLY A 22 2.686 -13.678 -1.046 1.00 0.00 N ATOM 302 CA GLY A 22 3.939 -13.523 -1.782 1.00 0.00 C ATOM 303 C GLY A 22 4.196 -12.099 -2.277 1.00 0.00 C ATOM 304 O GLY A 22 5.037 -11.910 -3.155 1.00 0.00 O ATOM 0 H GLY A 22 2.789 -13.528 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.766 -13.829 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.932 -14.199 -2.637 1.00 0.00 H new ATOM 308 N LEU A 23 3.485 -11.088 -1.753 1.00 0.00 N ATOM 309 CA LEU A 23 3.675 -9.680 -2.135 1.00 0.00 C ATOM 310 C LEU A 23 3.446 -8.678 -0.990 1.00 0.00 C ATOM 311 O LEU A 23 3.016 -9.049 0.107 1.00 0.00 O ATOM 312 CB LEU A 23 2.846 -9.389 -3.411 1.00 0.00 C ATOM 313 CG LEU A 23 1.305 -9.331 -3.294 1.00 0.00 C ATOM 314 CD1 LEU A 23 0.822 -7.989 -2.749 1.00 0.00 C ATOM 315 CD2 LEU A 23 0.683 -9.490 -4.682 1.00 0.00 C ATOM 0 H LEU A 23 2.759 -11.225 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 23 4.729 -9.527 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.184 -8.435 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.094 -10.153 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 23 1.009 -10.131 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.266 -7.993 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.244 -7.826 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.142 -7.189 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.403 -9.449 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.029 -8.685 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.979 -10.449 -5.106 1.00 0.00 H new ATOM 327 N MET A 24 3.722 -7.401 -1.278 1.00 0.00 N ATOM 328 CA MET A 24 3.405 -6.218 -0.463 1.00 0.00 C ATOM 329 C MET A 24 2.633 -5.203 -1.324 1.00 0.00 C ATOM 330 O MET A 24 2.892 -5.091 -2.527 1.00 0.00 O ATOM 331 CB MET A 24 4.724 -5.605 0.054 1.00 0.00 C ATOM 332 CG MET A 24 4.532 -4.328 0.889 1.00 0.00 C ATOM 333 SD MET A 24 6.056 -3.463 1.361 1.00 0.00 S ATOM 334 CE MET A 24 6.495 -2.681 -0.222 1.00 0.00 C ATOM 0 H MET A 24 4.203 -7.148 -2.141 1.00 0.00 H new ATOM 0 HA MET A 24 2.783 -6.494 0.389 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.246 -6.347 0.658 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.366 -5.378 -0.797 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.904 -3.638 0.326 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.987 -4.587 1.796 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.231 -1.896 -0.048 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.915 -3.430 -0.893 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.602 -2.248 -0.674 1.00 0.00 H new ATOM 344 N LEU A 25 1.738 -4.428 -0.703 1.00 0.00 N ATOM 345 CA LEU A 25 0.954 -3.357 -1.335 1.00 0.00 C ATOM 346 C LEU A 25 1.234 -2.042 -0.579 1.00 0.00 C ATOM 347 O LEU A 25 1.171 -1.999 0.650 1.00 0.00 O ATOM 348 CB LEU A 25 -0.525 -3.808 -1.335 1.00 0.00 C ATOM 349 CG LEU A 25 -1.609 -2.908 -1.971 1.00 0.00 C ATOM 350 CD1 LEU A 25 -2.048 -1.754 -1.076 1.00 0.00 C ATOM 351 CD2 LEU A 25 -1.222 -2.340 -3.330 1.00 0.00 C ATOM 0 H LEU A 25 1.531 -4.532 0.290 1.00 0.00 H new ATOM 0 HA LEU A 25 1.227 -3.168 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.569 -4.774 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.812 -3.977 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.445 -3.594 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.810 -1.166 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.459 -2.150 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.190 -1.120 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.034 -1.720 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.321 -1.735 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.034 -3.158 -4.026 1.00 0.00 H new ATOM 363 N VAL A 26 1.588 -0.984 -1.310 1.00 0.00 N ATOM 364 CA VAL A 26 2.020 0.311 -0.753 1.00 0.00 C ATOM 365 C VAL A 26 1.327 1.473 -1.471 1.00 0.00 C ATOM 366 O VAL A 26 0.982 1.357 -2.646 1.00 0.00 O ATOM 367 CB VAL A 26 3.561 0.440 -0.797 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.121 0.411 -2.218 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.112 1.699 -0.108 1.00 0.00 C ATOM 0 H VAL A 26 1.584 -0.998 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 26 1.720 0.354 0.294 1.00 0.00 H new ATOM 0 HB VAL A 26 3.893 -0.437 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.206 0.505 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.854 -0.532 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.703 1.239 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.199 1.710 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.705 2.587 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.823 1.694 0.943 1.00 0.00 H new ATOM 379 N GLU A 27 1.140 2.603 -0.783 1.00 0.00 N ATOM 380 CA GLU A 27 0.522 3.819 -1.319 1.00 0.00 C ATOM 381 C GLU A 27 1.446 5.034 -1.130 1.00 0.00 C ATOM 382 O GLU A 27 1.741 5.448 -0.006 1.00 0.00 O ATOM 383 CB GLU A 27 -0.849 4.043 -0.667 1.00 0.00 C ATOM 384 CG GLU A 27 -1.554 5.289 -1.223 1.00 0.00 C ATOM 385 CD GLU A 27 -2.921 5.496 -0.541 1.00 0.00 C ATOM 386 OE1 GLU A 27 -2.963 6.095 0.562 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.953 5.071 -1.114 1.00 0.00 O ATOM 0 H GLU A 27 1.423 2.700 0.192 1.00 0.00 H new ATOM 0 HA GLU A 27 0.371 3.694 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.477 3.167 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.725 4.147 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.928 6.167 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.692 5.184 -2.299 1.00 0.00 H new ATOM 394 N PHE A 28 1.872 5.634 -2.242 1.00 0.00 N ATOM 395 CA PHE A 28 2.567 6.913 -2.246 1.00 0.00 C ATOM 396 C PHE A 28 1.529 8.043 -2.238 1.00 0.00 C ATOM 397 O PHE A 28 0.618 8.052 -3.075 1.00 0.00 O ATOM 398 CB PHE A 28 3.506 6.990 -3.454 1.00 0.00 C ATOM 399 CG PHE A 28 4.654 5.992 -3.409 1.00 0.00 C ATOM 400 CD1 PHE A 28 4.456 4.659 -3.820 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.919 6.395 -2.943 1.00 0.00 C ATOM 402 CE1 PHE A 28 5.507 3.727 -3.720 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.973 5.467 -2.857 1.00 0.00 C ATOM 404 CZ PHE A 28 6.760 4.127 -3.228 1.00 0.00 C ATOM 0 H PHE A 28 1.741 5.238 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 28 3.185 7.018 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.927 6.822 -4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.916 7.998 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.498 4.352 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.082 7.422 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.349 2.702 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.944 5.783 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.559 3.407 -3.135 1.00 0.00 H new ATOM 414 N PHE A 29 1.636 8.965 -1.280 1.00 0.00 N ATOM 415 CA PHE A 29 0.621 9.992 -0.977 1.00 0.00 C ATOM 416 C PHE A 29 1.258 11.245 -0.334 1.00 0.00 C ATOM 417 O PHE A 29 2.448 11.498 -0.529 1.00 0.00 O ATOM 418 CB PHE A 29 -0.464 9.320 -0.102 1.00 0.00 C ATOM 419 CG PHE A 29 -1.762 10.078 0.139 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.355 10.877 -0.861 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.402 9.946 1.389 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.567 11.548 -0.604 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.613 10.607 1.640 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.193 11.412 0.645 1.00 0.00 C ATOM 0 H PHE A 29 2.453 9.025 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 29 0.153 10.367 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.717 8.364 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.021 9.101 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.879 10.975 -1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.957 9.332 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.014 12.167 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.100 10.497 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.122 11.927 0.842 1.00 0.00 H new ATOM 434 N ALA A 30 0.504 12.042 0.419 1.00 0.00 N ATOM 435 CA ALA A 30 0.961 13.185 1.211 1.00 0.00 C ATOM 436 C ALA A 30 0.111 13.312 2.502 1.00 0.00 C ATOM 437 O ALA A 30 -1.037 12.850 2.517 1.00 0.00 O ATOM 438 CB ALA A 30 0.835 14.443 0.339 1.00 0.00 C ATOM 0 H ALA A 30 -0.503 11.900 0.499 1.00 0.00 H new ATOM 0 HA ALA A 30 1.999 13.053 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.169 15.313 0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.452 14.331 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.206 14.579 0.045 1.00 0.00 H new ATOM 444 N PRO A 31 0.607 13.957 3.577 1.00 0.00 N ATOM 445 CA PRO A 31 -0.016 13.948 4.913 1.00 0.00 C ATOM 446 C PRO A 31 -1.192 14.937 5.084 1.00 0.00 C ATOM 447 O PRO A 31 -1.601 15.226 6.218 1.00 0.00 O ATOM 448 CB PRO A 31 1.145 14.262 5.870 1.00 0.00 C ATOM 449 CG PRO A 31 2.017 15.204 5.049 1.00 0.00 C ATOM 450 CD PRO A 31 1.905 14.619 3.645 1.00 0.00 C ATOM 0 HA PRO A 31 -0.489 12.985 5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.795 14.733 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.685 13.361 6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.655 16.231 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.048 15.215 5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.982 15.402 2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.712 13.912 3.453 1.00 0.00 H new ATOM 458 N TRP A 32 -1.722 15.498 3.991 1.00 0.00 N ATOM 459 CA TRP A 32 -2.778 16.517 3.971 1.00 0.00 C ATOM 460 C TRP A 32 -4.064 16.061 4.687 1.00 0.00 C ATOM 461 O TRP A 32 -4.800 15.198 4.192 1.00 0.00 O ATOM 462 CB TRP A 32 -3.069 16.908 2.511 1.00 0.00 C ATOM 463 CG TRP A 32 -1.908 17.348 1.671 1.00 0.00 C ATOM 464 CD1 TRP A 32 -0.801 17.985 2.122 1.00 0.00 C ATOM 465 CD2 TRP A 32 -1.735 17.226 0.222 1.00 0.00 C ATOM 466 NE1 TRP A 32 0.039 18.257 1.062 1.00 0.00 N ATOM 467 CE2 TRP A 32 -0.486 17.820 -0.134 1.00 0.00 C ATOM 468 CE3 TRP A 32 -2.505 16.681 -0.830 1.00 0.00 C ATOM 469 CZ2 TRP A 32 -0.032 17.892 -1.459 1.00 0.00 C ATOM 470 CZ3 TRP A 32 -2.054 16.741 -2.166 1.00 0.00 C ATOM 471 CH2 TRP A 32 -0.831 17.359 -2.484 1.00 0.00 C ATOM 0 H TRP A 32 -1.412 15.242 3.053 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.420 17.385 4.525 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.536 16.054 2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.804 17.713 2.518 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.606 18.241 3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 32 0.940 18.725 1.153 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.452 16.212 -0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.919 18.351 -1.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.654 16.308 -2.952 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.508 17.423 -3.512 1.00 0.00 H new ATOM 482 N CYS A 33 -4.348 16.636 5.861 1.00 0.00 N ATOM 483 CA CYS A 33 -5.465 16.236 6.735 1.00 0.00 C ATOM 484 C CYS A 33 -6.848 16.320 6.064 1.00 0.00 C ATOM 485 O CYS A 33 -7.716 15.490 6.342 1.00 0.00 O ATOM 486 CB CYS A 33 -5.402 17.051 8.039 1.00 0.00 C ATOM 487 SG CYS A 33 -5.516 18.842 7.721 1.00 0.00 S ATOM 0 H CYS A 33 -3.799 17.408 6.241 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.342 15.177 6.960 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.215 16.746 8.698 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.470 16.833 8.560 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.461 19.487 8.848 1.00 0.00 H new ATOM 493 N GLY A 34 -7.031 17.251 5.116 1.00 0.00 N ATOM 494 CA GLY A 34 -8.252 17.422 4.311 1.00 0.00 C ATOM 495 C GLY A 34 -8.589 16.235 3.395 1.00 0.00 C ATOM 496 O GLY A 34 -9.736 16.113 2.954 1.00 0.00 O ATOM 0 H GLY A 34 -6.308 17.930 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.093 17.595 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.144 18.317 3.698 1.00 0.00 H new ATOM 500 N HIS A 35 -7.622 15.340 3.139 1.00 0.00 N ATOM 501 CA HIS A 35 -7.786 14.144 2.299 1.00 0.00 C ATOM 502 C HIS A 35 -7.469 12.838 3.053 1.00 0.00 C ATOM 503 O HIS A 35 -8.090 11.804 2.782 1.00 0.00 O ATOM 504 CB HIS A 35 -6.909 14.290 1.045 1.00 0.00 C ATOM 505 CG HIS A 35 -7.233 15.516 0.224 1.00 0.00 C ATOM 506 ND1 HIS A 35 -8.303 15.667 -0.637 1.00 0.00 N ATOM 507 CD2 HIS A 35 -6.542 16.699 0.205 1.00 0.00 C ATOM 508 CE1 HIS A 35 -8.257 16.908 -1.149 1.00 0.00 C ATOM 509 NE2 HIS A 35 -7.199 17.580 -0.665 1.00 0.00 N ATOM 0 H HIS A 35 -6.680 15.431 3.520 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.835 14.072 2.010 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.862 14.330 1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.028 13.403 0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.644 16.916 0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.971 17.310 -1.852 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.928 18.538 -0.886 1.00 0.00 H new ATOM 517 N CYS A 36 -6.578 12.874 4.055 1.00 0.00 N ATOM 518 CA CYS A 36 -6.276 11.723 4.912 1.00 0.00 C ATOM 519 C CYS A 36 -7.496 11.256 5.728 1.00 0.00 C ATOM 520 O CYS A 36 -7.693 10.054 5.896 1.00 0.00 O ATOM 521 CB CYS A 36 -5.111 12.060 5.855 1.00 0.00 C ATOM 522 SG CYS A 36 -3.578 12.339 4.925 1.00 0.00 S ATOM 0 H CYS A 36 -6.044 13.710 4.293 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.995 10.900 4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.355 12.950 6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.966 11.246 6.565 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.655 13.471 4.290 1.00 0.00 H new ATOM 528 N LYS A 37 -8.347 12.189 6.179 1.00 0.00 N ATOM 529 CA LYS A 37 -9.573 11.927 6.966 1.00 0.00 C ATOM 530 C LYS A 37 -10.520 10.876 6.375 1.00 0.00 C ATOM 531 O LYS A 37 -11.149 10.125 7.116 1.00 0.00 O ATOM 532 CB LYS A 37 -10.307 13.260 7.214 1.00 0.00 C ATOM 533 CG LYS A 37 -10.795 13.971 5.932 1.00 0.00 C ATOM 534 CD LYS A 37 -11.255 15.411 6.184 1.00 0.00 C ATOM 535 CE LYS A 37 -12.495 15.472 7.087 1.00 0.00 C ATOM 536 NZ LYS A 37 -12.960 16.872 7.278 1.00 0.00 N ATOM 0 H LYS A 37 -8.201 13.183 6.003 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.243 11.484 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.165 13.073 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.641 13.932 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.990 13.976 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.618 13.403 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.444 15.975 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.477 15.892 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.296 14.878 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.264 15.029 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.799 16.878 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.203 17.432 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.204 17.286 6.355 1.00 0.00 H new ATOM 550 N ARG A 38 -10.606 10.818 5.041 1.00 0.00 N ATOM 551 CA ARG A 38 -11.479 9.969 4.241 1.00 0.00 C ATOM 552 C ARG A 38 -10.805 8.661 3.787 1.00 0.00 C ATOM 553 O ARG A 38 -11.510 7.733 3.399 1.00 0.00 O ATOM 554 CB ARG A 38 -11.862 10.890 3.077 1.00 0.00 C ATOM 555 CG ARG A 38 -12.656 10.281 1.934 1.00 0.00 C ATOM 556 CD ARG A 38 -14.088 9.853 2.296 1.00 0.00 C ATOM 557 NE ARG A 38 -14.170 8.477 2.830 1.00 0.00 N ATOM 558 CZ ARG A 38 -15.252 7.876 3.289 1.00 0.00 C ATOM 559 NH1 ARG A 38 -16.394 8.498 3.386 1.00 0.00 N ATOM 560 NH2 ARG A 38 -15.222 6.629 3.666 1.00 0.00 N ATOM 0 H ARG A 38 -10.020 11.411 4.453 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.343 9.602 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.439 11.722 3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.945 11.309 2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.703 11.003 1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.116 9.411 1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.491 10.546 3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.718 9.929 1.410 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.304 7.938 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -16.468 9.475 3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.213 8.007 3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.352 6.100 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.069 6.182 4.018 1.00 0.00 H new ATOM 574 N LEU A 39 -9.472 8.572 3.845 1.00 0.00 N ATOM 575 CA LEU A 39 -8.693 7.468 3.262 1.00 0.00 C ATOM 576 C LEU A 39 -7.895 6.658 4.298 1.00 0.00 C ATOM 577 O LEU A 39 -7.661 5.467 4.098 1.00 0.00 O ATOM 578 CB LEU A 39 -7.788 8.077 2.176 1.00 0.00 C ATOM 579 CG LEU A 39 -7.045 7.048 1.312 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.988 6.195 0.465 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.110 7.798 0.362 1.00 0.00 C ATOM 0 H LEU A 39 -8.893 9.274 4.305 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.376 6.736 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.396 8.706 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.055 8.727 2.655 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.505 6.384 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.407 5.486 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.671 5.651 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.560 6.839 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.573 7.082 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.694 8.464 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.395 8.383 0.941 1.00 0.00 H new ATOM 593 N ALA A 40 -7.536 7.247 5.441 1.00 0.00 N ATOM 594 CA ALA A 40 -6.976 6.519 6.577 1.00 0.00 C ATOM 595 C ALA A 40 -7.899 5.372 7.070 1.00 0.00 C ATOM 596 O ALA A 40 -7.420 4.239 7.161 1.00 0.00 O ATOM 597 CB ALA A 40 -6.608 7.519 7.684 1.00 0.00 C ATOM 0 H ALA A 40 -7.627 8.250 5.603 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.066 6.013 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.189 6.982 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.872 8.227 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.501 8.058 7.999 1.00 0.00 H new ATOM 603 N PRO A 41 -9.217 5.587 7.288 1.00 0.00 N ATOM 604 CA PRO A 41 -10.115 4.513 7.721 1.00 0.00 C ATOM 605 C PRO A 41 -10.407 3.479 6.618 1.00 0.00 C ATOM 606 O PRO A 41 -10.944 2.411 6.917 1.00 0.00 O ATOM 607 CB PRO A 41 -11.386 5.210 8.207 1.00 0.00 C ATOM 608 CG PRO A 41 -11.438 6.477 7.367 1.00 0.00 C ATOM 609 CD PRO A 41 -9.965 6.839 7.208 1.00 0.00 C ATOM 0 HA PRO A 41 -9.650 3.924 8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.269 4.589 8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.338 5.436 9.272 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.918 6.304 6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.998 7.269 7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.789 7.335 6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.649 7.530 7.990 1.00 0.00 H new ATOM 617 N GLU A 42 -10.039 3.754 5.358 1.00 0.00 N ATOM 618 CA GLU A 42 -10.082 2.748 4.285 1.00 0.00 C ATOM 619 C GLU A 42 -8.862 1.815 4.346 1.00 0.00 C ATOM 620 O GLU A 42 -8.980 0.593 4.269 1.00 0.00 O ATOM 621 CB GLU A 42 -10.102 3.419 2.898 1.00 0.00 C ATOM 622 CG GLU A 42 -11.267 4.383 2.658 1.00 0.00 C ATOM 623 CD GLU A 42 -12.650 3.713 2.707 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.785 2.569 2.211 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.605 4.348 3.218 1.00 0.00 O ATOM 0 H GLU A 42 -9.707 4.670 5.055 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.995 2.171 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.167 3.963 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.132 2.641 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.231 5.175 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.138 4.858 1.685 1.00 0.00 H new ATOM 632 N TYR A 43 -7.672 2.393 4.496 1.00 0.00 N ATOM 633 CA TYR A 43 -6.429 1.652 4.341 1.00 0.00 C ATOM 634 C TYR A 43 -6.033 0.865 5.604 1.00 0.00 C ATOM 635 O TYR A 43 -5.525 -0.252 5.506 1.00 0.00 O ATOM 636 CB TYR A 43 -5.354 2.650 3.910 1.00 0.00 C ATOM 637 CG TYR A 43 -4.176 2.052 3.175 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.313 1.640 1.834 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.921 1.994 3.807 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.187 1.198 1.117 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.788 1.574 3.084 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.919 1.182 1.732 1.00 0.00 C ATOM 643 OH TYR A 43 -0.817 0.840 1.022 1.00 0.00 O ATOM 0 H TYR A 43 -7.546 3.379 4.726 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.555 0.883 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.816 3.403 3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.985 3.166 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.282 1.664 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.826 2.271 4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.294 0.870 0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.820 1.551 3.562 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.020 1.206 1.459 1.00 0.00 H new ATOM 653 N GLU A 44 -6.336 1.383 6.803 1.00 0.00 N ATOM 654 CA GLU A 44 -6.184 0.649 8.074 1.00 0.00 C ATOM 655 C GLU A 44 -7.090 -0.573 8.158 1.00 0.00 C ATOM 656 O GLU A 44 -6.697 -1.651 8.610 1.00 0.00 O ATOM 657 CB GLU A 44 -6.514 1.561 9.265 1.00 0.00 C ATOM 658 CG GLU A 44 -5.466 2.654 9.379 1.00 0.00 C ATOM 659 CD GLU A 44 -5.565 3.412 10.716 1.00 0.00 C ATOM 660 OE1 GLU A 44 -6.414 4.333 10.843 1.00 0.00 O ATOM 661 OE2 GLU A 44 -4.787 3.097 11.650 1.00 0.00 O ATOM 0 H GLU A 44 -6.696 2.330 6.922 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.145 0.320 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.502 2.003 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.546 0.977 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.473 2.215 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.584 3.357 8.554 1.00 0.00 H new ATOM 668 N ALA A 45 -8.316 -0.380 7.681 1.00 0.00 N ATOM 669 CA ALA A 45 -9.311 -1.445 7.555 1.00 0.00 C ATOM 670 C ALA A 45 -8.838 -2.563 6.612 1.00 0.00 C ATOM 671 O ALA A 45 -8.905 -3.737 6.973 1.00 0.00 O ATOM 672 CB ALA A 45 -10.655 -0.861 7.113 1.00 0.00 C ATOM 0 H ALA A 45 -8.652 0.530 7.367 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.443 -1.904 8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.388 -1.663 7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.998 -0.137 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.537 -0.366 6.149 1.00 0.00 H new ATOM 678 N ALA A 46 -8.276 -2.211 5.445 1.00 0.00 N ATOM 679 CA ALA A 46 -7.661 -3.173 4.527 1.00 0.00 C ATOM 680 C ALA A 46 -6.485 -3.926 5.180 1.00 0.00 C ATOM 681 O ALA A 46 -6.409 -5.151 5.100 1.00 0.00 O ATOM 682 CB ALA A 46 -7.205 -2.439 3.263 1.00 0.00 C ATOM 0 H ALA A 46 -8.237 -1.247 5.114 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.405 -3.925 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.746 -3.149 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.065 -1.973 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.478 -1.672 3.530 1.00 0.00 H new ATOM 688 N ALA A 47 -5.602 -3.205 5.875 1.00 0.00 N ATOM 689 CA ALA A 47 -4.426 -3.768 6.538 1.00 0.00 C ATOM 690 C ALA A 47 -4.803 -4.736 7.674 1.00 0.00 C ATOM 691 O ALA A 47 -4.156 -5.766 7.860 1.00 0.00 O ATOM 692 CB ALA A 47 -3.574 -2.610 7.061 1.00 0.00 C ATOM 0 H ALA A 47 -5.687 -2.196 5.994 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.860 -4.358 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.690 -3.006 7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.268 -1.978 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.157 -2.020 7.768 1.00 0.00 H new ATOM 698 N THR A 48 -5.884 -4.427 8.395 1.00 0.00 N ATOM 699 CA THR A 48 -6.481 -5.299 9.421 1.00 0.00 C ATOM 700 C THR A 48 -7.072 -6.569 8.801 1.00 0.00 C ATOM 701 O THR A 48 -6.858 -7.667 9.319 1.00 0.00 O ATOM 702 CB THR A 48 -7.573 -4.540 10.200 1.00 0.00 C ATOM 703 OG1 THR A 48 -7.045 -3.348 10.743 1.00 0.00 O ATOM 704 CG2 THR A 48 -8.128 -5.348 11.373 1.00 0.00 C ATOM 0 H THR A 48 -6.383 -3.545 8.282 1.00 0.00 H new ATOM 0 HA THR A 48 -5.687 -5.593 10.108 1.00 0.00 H new ATOM 0 HB THR A 48 -8.371 -4.344 9.483 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.941 -2.682 10.031 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.893 -4.766 11.886 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.565 -6.275 11.002 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.322 -5.580 12.069 1.00 0.00 H new ATOM 712 N ARG A 49 -7.791 -6.442 7.676 1.00 0.00 N ATOM 713 CA ARG A 49 -8.468 -7.561 6.978 1.00 0.00 C ATOM 714 C ARG A 49 -7.500 -8.506 6.244 1.00 0.00 C ATOM 715 O ARG A 49 -7.803 -9.694 6.114 1.00 0.00 O ATOM 716 CB ARG A 49 -9.534 -6.990 6.021 1.00 0.00 C ATOM 717 CG ARG A 49 -10.733 -6.405 6.800 1.00 0.00 C ATOM 718 CD ARG A 49 -11.614 -5.474 5.961 1.00 0.00 C ATOM 719 NE ARG A 49 -12.463 -6.194 4.986 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.324 -5.643 4.148 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.506 -4.352 4.088 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.028 -6.374 3.334 1.00 0.00 N ATOM 0 H ARG A 49 -7.925 -5.544 7.211 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.946 -8.180 7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.089 -6.214 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.882 -7.776 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.343 -7.224 7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.361 -5.857 7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.251 -4.891 6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.979 -4.767 5.427 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.376 -7.210 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.975 -3.733 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.179 -3.962 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.920 -7.388 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.688 -5.933 2.694 1.00 0.00 H new ATOM 736 N LEU A 50 -6.321 -8.017 5.842 1.00 0.00 N ATOM 737 CA LEU A 50 -5.263 -8.762 5.131 1.00 0.00 C ATOM 738 C LEU A 50 -4.035 -9.073 6.012 1.00 0.00 C ATOM 739 O LEU A 50 -3.026 -9.555 5.493 1.00 0.00 O ATOM 740 CB LEU A 50 -4.862 -7.967 3.867 1.00 0.00 C ATOM 741 CG LEU A 50 -5.735 -8.197 2.617 1.00 0.00 C ATOM 742 CD1 LEU A 50 -7.238 -8.133 2.868 1.00 0.00 C ATOM 743 CD2 LEU A 50 -5.400 -7.154 1.552 1.00 0.00 C ATOM 0 H LEU A 50 -6.062 -7.045 6.009 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.666 -9.735 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.882 -6.904 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.831 -8.217 3.617 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.503 -9.212 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.771 -8.306 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.519 -8.897 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.500 -7.150 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.020 -7.321 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.592 -6.156 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.349 -7.239 1.277 1.00 0.00 H new ATOM 755 N LYS A 51 -4.099 -8.803 7.323 1.00 0.00 N ATOM 756 CA LYS A 51 -2.978 -8.921 8.278 1.00 0.00 C ATOM 757 C LYS A 51 -2.247 -10.270 8.182 1.00 0.00 C ATOM 758 O LYS A 51 -2.824 -11.330 8.450 1.00 0.00 O ATOM 759 CB LYS A 51 -3.501 -8.641 9.701 1.00 0.00 C ATOM 760 CG LYS A 51 -2.369 -8.600 10.738 1.00 0.00 C ATOM 761 CD LYS A 51 -2.810 -8.021 12.092 1.00 0.00 C ATOM 762 CE LYS A 51 -3.905 -8.855 12.766 1.00 0.00 C ATOM 763 NZ LYS A 51 -4.284 -8.294 14.092 1.00 0.00 N ATOM 0 H LYS A 51 -4.960 -8.485 7.767 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.225 -8.176 8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.034 -7.690 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.219 -9.412 9.980 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.986 -9.609 10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.546 -8.003 10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.947 -7.960 12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.173 -7.003 11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.783 -8.892 12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.557 -9.881 12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.027 -8.883 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.451 -8.282 14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.639 -7.324 13.970 1.00 0.00 H new ATOM 777 N GLY A 52 -0.976 -10.226 7.768 1.00 0.00 N ATOM 778 CA GLY A 52 -0.109 -11.393 7.565 1.00 0.00 C ATOM 779 C GLY A 52 -0.194 -12.025 6.165 1.00 0.00 C ATOM 780 O GLY A 52 0.755 -12.679 5.730 1.00 0.00 O ATOM 0 H GLY A 52 -0.506 -9.346 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.923 -11.098 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.364 -12.151 8.306 1.00 0.00 H new ATOM 784 N ILE A 53 -1.291 -11.814 5.427 1.00 0.00 N ATOM 785 CA ILE A 53 -1.490 -12.305 4.053 1.00 0.00 C ATOM 786 C ILE A 53 -0.867 -11.314 3.056 1.00 0.00 C ATOM 787 O ILE A 53 -0.116 -11.737 2.177 1.00 0.00 O ATOM 788 CB ILE A 53 -2.995 -12.543 3.756 1.00 0.00 C ATOM 789 CG1 ILE A 53 -3.668 -13.419 4.843 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.132 -13.205 2.371 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.186 -13.571 4.683 1.00 0.00 C ATOM 0 H ILE A 53 -2.088 -11.282 5.777 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.989 -13.267 3.944 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.506 -11.580 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.212 -14.409 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.459 -12.987 5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.186 -13.377 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.706 -12.550 1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.601 -14.157 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.575 -14.199 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.657 -12.589 4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.406 -14.034 3.721 1.00 0.00 H new ATOM 803 N VAL A 54 -1.101 -10.007 3.246 1.00 0.00 N ATOM 804 CA VAL A 54 -0.431 -8.896 2.539 1.00 0.00 C ATOM 805 C VAL A 54 -0.250 -7.718 3.520 1.00 0.00 C ATOM 806 O VAL A 54 -1.254 -7.142 3.950 1.00 0.00 O ATOM 807 CB VAL A 54 -1.227 -8.416 1.307 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.627 -7.149 0.673 1.00 0.00 C ATOM 809 CG2 VAL A 54 -1.252 -9.465 0.196 1.00 0.00 C ATOM 0 H VAL A 54 -1.789 -9.678 3.923 1.00 0.00 H new ATOM 0 HA VAL A 54 0.532 -9.260 2.182 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.228 -8.220 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.226 -6.855 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.625 -6.342 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.395 -7.351 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.823 -9.084 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.232 -9.683 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.719 -10.377 0.567 1.00 0.00 H new ATOM 819 N PRO A 55 0.987 -7.332 3.881 1.00 0.00 N ATOM 820 CA PRO A 55 1.240 -6.130 4.681 1.00 0.00 C ATOM 821 C PRO A 55 1.001 -4.862 3.853 1.00 0.00 C ATOM 822 O PRO A 55 1.231 -4.847 2.640 1.00 0.00 O ATOM 823 CB PRO A 55 2.699 -6.239 5.129 1.00 0.00 C ATOM 824 CG PRO A 55 3.350 -7.017 3.989 1.00 0.00 C ATOM 825 CD PRO A 55 2.248 -7.969 3.529 1.00 0.00 C ATOM 0 HA PRO A 55 0.567 -6.061 5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.155 -5.258 5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.791 -6.763 6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.670 -6.356 3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.233 -7.559 4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.309 -8.145 2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.343 -8.939 4.017 1.00 0.00 H new ATOM 833 N LEU A 56 0.599 -3.780 4.525 1.00 0.00 N ATOM 834 CA LEU A 56 0.230 -2.499 3.916 1.00 0.00 C ATOM 835 C LEU A 56 1.067 -1.355 4.499 1.00 0.00 C ATOM 836 O LEU A 56 1.285 -1.283 5.712 1.00 0.00 O ATOM 837 CB LEU A 56 -1.271 -2.249 4.142 1.00 0.00 C ATOM 838 CG LEU A 56 -2.118 -2.376 2.867 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.186 -3.813 2.357 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.541 -1.904 3.145 1.00 0.00 C ATOM 0 H LEU A 56 0.519 -3.771 5.542 1.00 0.00 H new ATOM 0 HA LEU A 56 0.432 -2.539 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.640 -2.956 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.405 -1.251 4.559 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.640 -1.760 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.796 -3.850 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.180 -4.167 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.631 -4.450 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.138 -1.996 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.980 -2.517 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.523 -0.862 3.464 1.00 0.00 H new ATOM 852 N ALA A 57 1.500 -0.435 3.633 1.00 0.00 N ATOM 853 CA ALA A 57 2.370 0.682 3.999 1.00 0.00 C ATOM 854 C ALA A 57 2.078 1.954 3.192 1.00 0.00 C ATOM 855 O ALA A 57 1.457 1.886 2.127 1.00 0.00 O ATOM 856 CB ALA A 57 3.822 0.243 3.769 1.00 0.00 C ATOM 0 H ALA A 57 1.251 -0.447 2.644 1.00 0.00 H new ATOM 0 HA ALA A 57 2.188 0.931 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.495 1.058 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.042 -0.626 4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.962 -0.016 2.719 1.00 0.00 H new ATOM 862 N LYS A 58 2.587 3.099 3.663 1.00 0.00 N ATOM 863 CA LYS A 58 2.614 4.372 2.933 1.00 0.00 C ATOM 864 C LYS A 58 3.988 5.046 2.942 1.00 0.00 C ATOM 865 O LYS A 58 4.807 4.807 3.832 1.00 0.00 O ATOM 866 CB LYS A 58 1.561 5.344 3.493 1.00 0.00 C ATOM 867 CG LYS A 58 0.160 4.734 3.509 1.00 0.00 C ATOM 868 CD LYS A 58 -0.920 5.814 3.565 1.00 0.00 C ATOM 869 CE LYS A 58 -2.267 5.108 3.677 1.00 0.00 C ATOM 870 NZ LYS A 58 -3.392 5.994 3.277 1.00 0.00 N ATOM 0 H LYS A 58 3.004 3.167 4.591 1.00 0.00 H new ATOM 0 HA LYS A 58 2.381 4.127 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.840 5.635 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.552 6.253 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.018 4.122 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.060 4.073 4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.760 6.473 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.886 6.437 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.264 4.218 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.417 4.772 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.289 5.591 3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.257 6.937 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.418 6.075 2.241 1.00 0.00 H new ATOM 884 N VAL A 59 4.190 5.935 1.965 1.00 0.00 N ATOM 885 CA VAL A 59 5.357 6.821 1.806 1.00 0.00 C ATOM 886 C VAL A 59 4.868 8.195 1.329 1.00 0.00 C ATOM 887 O VAL A 59 4.147 8.293 0.339 1.00 0.00 O ATOM 888 CB VAL A 59 6.373 6.228 0.799 1.00 0.00 C ATOM 889 CG1 VAL A 59 7.583 7.148 0.606 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.909 4.858 1.236 1.00 0.00 C ATOM 0 H VAL A 59 3.507 6.067 1.219 1.00 0.00 H new ATOM 0 HA VAL A 59 5.867 6.921 2.764 1.00 0.00 H new ATOM 0 HB VAL A 59 5.817 6.124 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.273 6.697 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.249 8.114 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.089 7.288 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.617 4.490 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.411 4.954 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.081 4.155 1.327 1.00 0.00 H new ATOM 900 N ASP A 60 5.232 9.263 2.033 1.00 0.00 N ATOM 901 CA ASP A 60 4.794 10.629 1.712 1.00 0.00 C ATOM 902 C ASP A 60 5.709 11.271 0.657 1.00 0.00 C ATOM 903 O ASP A 60 6.839 11.639 0.969 1.00 0.00 O ATOM 904 CB ASP A 60 4.744 11.473 2.989 1.00 0.00 C ATOM 905 CG ASP A 60 3.630 11.015 3.942 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.440 11.069 3.552 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.947 10.614 5.092 1.00 0.00 O ATOM 0 H ASP A 60 5.843 9.211 2.848 1.00 0.00 H new ATOM 0 HA ASP A 60 3.792 10.583 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.705 11.413 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.588 12.519 2.726 1.00 0.00 H new ATOM 912 N CYS A 61 5.237 11.426 -0.585 1.00 0.00 N ATOM 913 CA CYS A 61 5.961 12.066 -1.693 1.00 0.00 C ATOM 914 C CYS A 61 6.499 13.470 -1.356 1.00 0.00 C ATOM 915 O CYS A 61 7.612 13.819 -1.749 1.00 0.00 O ATOM 916 CB CYS A 61 5.017 12.132 -2.897 1.00 0.00 C ATOM 917 SG CYS A 61 5.775 12.809 -4.397 1.00 0.00 S ATOM 0 H CYS A 61 4.310 11.099 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 61 6.843 11.463 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.648 11.129 -3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.152 12.741 -2.634 1.00 0.00 H new ATOM 922 N THR A 62 5.749 14.272 -0.585 1.00 0.00 N ATOM 923 CA THR A 62 6.167 15.630 -0.171 1.00 0.00 C ATOM 924 C THR A 62 7.378 15.638 0.774 1.00 0.00 C ATOM 925 O THR A 62 8.050 16.661 0.907 1.00 0.00 O ATOM 926 CB THR A 62 4.975 16.391 0.436 1.00 0.00 C ATOM 927 OG1 THR A 62 5.214 17.782 0.442 1.00 0.00 O ATOM 928 CG2 THR A 62 4.609 15.960 1.853 1.00 0.00 C ATOM 0 H THR A 62 4.833 14.001 -0.228 1.00 0.00 H new ATOM 0 HA THR A 62 6.499 16.146 -1.072 1.00 0.00 H new ATOM 0 HB THR A 62 4.132 16.141 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.443 18.245 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.760 16.546 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.345 14.902 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.460 16.123 2.514 1.00 0.00 H new ATOM 936 N ALA A 63 7.663 14.495 1.417 1.00 0.00 N ATOM 937 CA ALA A 63 8.812 14.279 2.302 1.00 0.00 C ATOM 938 C ALA A 63 9.839 13.257 1.757 1.00 0.00 C ATOM 939 O ALA A 63 10.896 13.060 2.364 1.00 0.00 O ATOM 940 CB ALA A 63 8.270 13.862 3.678 1.00 0.00 C ATOM 0 H ALA A 63 7.075 13.666 1.330 1.00 0.00 H new ATOM 0 HA ALA A 63 9.374 15.210 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.102 13.693 4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.631 14.652 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.691 12.944 3.578 1.00 0.00 H new ATOM 946 N ASN A 64 9.552 12.622 0.613 1.00 0.00 N ATOM 947 CA ASN A 64 10.354 11.565 -0.018 1.00 0.00 C ATOM 948 C ASN A 64 10.355 11.678 -1.550 1.00 0.00 C ATOM 949 O ASN A 64 10.133 10.739 -2.313 1.00 0.00 O ATOM 950 CB ASN A 64 9.845 10.194 0.383 1.00 0.00 C ATOM 951 CG ASN A 64 9.855 9.910 1.870 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.825 9.416 2.428 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.770 10.198 2.554 1.00 0.00 N ATOM 0 H ASN A 64 8.713 12.842 0.076 1.00 0.00 H new ATOM 0 HA ASN A 64 11.377 11.694 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.825 10.081 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.450 9.439 -0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.734 10.010 3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.964 10.610 2.083 1.00 0.00 H new ATOM 960 N THR A 65 10.556 12.898 -1.991 1.00 0.00 N ATOM 961 CA THR A 65 10.395 13.347 -3.386 1.00 0.00 C ATOM 962 C THR A 65 11.396 12.666 -4.328 1.00 0.00 C ATOM 963 O THR A 65 11.061 12.335 -5.467 1.00 0.00 O ATOM 964 CB THR A 65 10.507 14.882 -3.486 1.00 0.00 C ATOM 965 OG1 THR A 65 9.696 15.491 -2.495 1.00 0.00 O ATOM 966 CG2 THR A 65 10.040 15.418 -4.841 1.00 0.00 C ATOM 0 H THR A 65 10.850 13.652 -1.371 1.00 0.00 H new ATOM 0 HA THR A 65 9.396 13.052 -3.706 1.00 0.00 H new ATOM 0 HB THR A 65 11.562 15.121 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.977 14.877 -2.238 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.140 16.503 -4.857 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.651 14.985 -5.633 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.996 15.148 -4.999 1.00 0.00 H new ATOM 974 N ASN A 66 12.598 12.374 -3.826 1.00 0.00 N ATOM 975 CA ASN A 66 13.646 11.639 -4.529 1.00 0.00 C ATOM 976 C ASN A 66 13.254 10.176 -4.801 1.00 0.00 C ATOM 977 O ASN A 66 13.518 9.658 -5.887 1.00 0.00 O ATOM 978 CB ASN A 66 14.943 11.732 -3.705 1.00 0.00 C ATOM 979 CG ASN A 66 15.527 13.139 -3.656 1.00 0.00 C ATOM 980 OD1 ASN A 66 15.671 13.824 -4.663 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.885 13.616 -2.486 1.00 0.00 N ATOM 0 H ASN A 66 12.876 12.654 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 66 13.798 12.091 -5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.744 11.393 -2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.684 11.053 -4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.281 14.553 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.767 13.049 -1.646 1.00 0.00 H new ATOM 988 N THR A 67 12.558 9.525 -3.860 1.00 0.00 N ATOM 989 CA THR A 67 11.943 8.200 -4.058 1.00 0.00 C ATOM 990 C THR A 67 10.760 8.304 -5.019 1.00 0.00 C ATOM 991 O THR A 67 10.638 7.539 -5.970 1.00 0.00 O ATOM 992 CB THR A 67 11.404 7.629 -2.731 1.00 0.00 C ATOM 993 OG1 THR A 67 12.254 7.934 -1.650 1.00 0.00 O ATOM 994 CG2 THR A 67 11.210 6.119 -2.797 1.00 0.00 C ATOM 0 H THR A 67 12.402 9.906 -2.927 1.00 0.00 H new ATOM 0 HA THR A 67 12.718 7.546 -4.459 1.00 0.00 H new ATOM 0 HB THR A 67 10.436 8.103 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.008 7.308 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.829 5.759 -1.841 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.497 5.878 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.165 5.639 -3.011 1.00 0.00 H new ATOM 1002 N CYS A 68 9.900 9.297 -4.790 1.00 0.00 N ATOM 1003 CA CYS A 68 8.605 9.475 -5.448 1.00 0.00 C ATOM 1004 C CYS A 68 8.737 9.628 -6.969 1.00 0.00 C ATOM 1005 O CYS A 68 8.105 8.890 -7.736 1.00 0.00 O ATOM 1006 CB CYS A 68 7.955 10.708 -4.801 1.00 0.00 C ATOM 1007 SG CYS A 68 6.321 11.144 -5.423 1.00 0.00 S ATOM 0 H CYS A 68 10.096 10.032 -4.110 1.00 0.00 H new ATOM 0 HA CYS A 68 7.984 8.590 -5.311 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.881 10.536 -3.727 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.618 11.562 -4.942 1.00 0.00 H new ATOM 1012 N ASN A 69 9.612 10.530 -7.422 1.00 0.00 N ATOM 1013 CA ASN A 69 9.792 10.780 -8.858 1.00 0.00 C ATOM 1014 C ASN A 69 10.517 9.627 -9.578 1.00 0.00 C ATOM 1015 O ASN A 69 10.150 9.255 -10.692 1.00 0.00 O ATOM 1016 CB ASN A 69 10.484 12.134 -9.064 1.00 0.00 C ATOM 1017 CG ASN A 69 12.003 12.131 -9.030 1.00 0.00 C ATOM 1018 OD1 ASN A 69 12.671 11.902 -10.029 1.00 0.00 O ATOM 1019 ND2 ASN A 69 12.599 12.414 -7.897 1.00 0.00 N ATOM 0 H ASN A 69 10.206 11.099 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 69 8.807 10.825 -9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.165 12.537 -10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.127 12.820 -8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.617 12.443 -7.850 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.044 12.605 -7.063 1.00 0.00 H new ATOM 1026 N LYS A 70 11.492 9.022 -8.891 1.00 0.00 N ATOM 1027 CA LYS A 70 12.206 7.814 -9.346 1.00 0.00 C ATOM 1028 C LYS A 70 11.271 6.601 -9.509 1.00 0.00 C ATOM 1029 O LYS A 70 11.517 5.751 -10.368 1.00 0.00 O ATOM 1030 CB LYS A 70 13.353 7.535 -8.357 1.00 0.00 C ATOM 1031 CG LYS A 70 14.283 6.393 -8.795 1.00 0.00 C ATOM 1032 CD LYS A 70 15.459 6.255 -7.822 1.00 0.00 C ATOM 1033 CE LYS A 70 16.383 5.116 -8.273 1.00 0.00 C ATOM 1034 NZ LYS A 70 17.529 4.939 -7.344 1.00 0.00 N ATOM 0 H LYS A 70 11.816 9.361 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 70 12.614 7.991 -10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.942 8.444 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.929 7.293 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.725 5.457 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.656 6.586 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.017 7.191 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.088 6.057 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.815 4.188 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.756 5.325 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.132 4.161 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.085 5.817 -7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.173 4.715 -6.393 1.00 0.00 H new ATOM 1048 N TYR A 71 10.184 6.552 -8.734 1.00 0.00 N ATOM 1049 CA TYR A 71 9.216 5.435 -8.715 1.00 0.00 C ATOM 1050 C TYR A 71 8.043 5.644 -9.685 1.00 0.00 C ATOM 1051 O TYR A 71 7.227 4.737 -9.889 1.00 0.00 O ATOM 1052 CB TYR A 71 8.724 5.186 -7.274 1.00 0.00 C ATOM 1053 CG TYR A 71 9.642 4.299 -6.440 1.00 0.00 C ATOM 1054 CD1 TYR A 71 11.035 4.495 -6.458 1.00 0.00 C ATOM 1055 CD2 TYR A 71 9.100 3.259 -5.661 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.893 3.657 -5.720 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.950 2.403 -4.932 1.00 0.00 C ATOM 1058 CZ TYR A 71 11.348 2.603 -4.954 1.00 0.00 C ATOM 1059 OH TYR A 71 12.168 1.772 -4.258 1.00 0.00 O ATOM 0 H TYR A 71 9.941 7.301 -8.086 1.00 0.00 H new ATOM 0 HA TYR A 71 9.737 4.545 -9.068 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.611 6.146 -6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.735 4.729 -7.314 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.452 5.299 -7.046 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.030 3.117 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.961 3.819 -5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.531 1.592 -4.355 1.00 0.00 H new ATOM 0 HH TYR A 71 12.975 2.259 -3.989 1.00 0.00 H new ATOM 1069 N GLY A 72 7.966 6.828 -10.295 1.00 0.00 N ATOM 1070 CA GLY A 72 6.989 7.177 -11.337 1.00 0.00 C ATOM 1071 C GLY A 72 5.730 7.871 -10.802 1.00 0.00 C ATOM 1072 O GLY A 72 4.750 8.029 -11.535 1.00 0.00 O ATOM 0 H GLY A 72 8.599 7.596 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.469 7.829 -12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.695 6.269 -11.864 1.00 0.00 H new ATOM 1076 N VAL A 73 5.743 8.286 -9.534 1.00 0.00 N ATOM 1077 CA VAL A 73 4.632 8.935 -8.823 1.00 0.00 C ATOM 1078 C VAL A 73 4.602 10.441 -9.164 1.00 0.00 C ATOM 1079 O VAL A 73 4.777 11.325 -8.322 1.00 0.00 O ATOM 1080 CB VAL A 73 4.701 8.619 -7.311 1.00 0.00 C ATOM 1081 CG1 VAL A 73 3.481 9.126 -6.527 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.814 7.106 -7.058 1.00 0.00 C ATOM 0 H VAL A 73 6.567 8.175 -8.943 1.00 0.00 H new ATOM 0 HA VAL A 73 3.676 8.532 -9.158 1.00 0.00 H new ATOM 0 HB VAL A 73 5.591 9.141 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.594 8.871 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.405 10.208 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.577 8.659 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.860 6.919 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.944 6.601 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.718 6.724 -7.532 1.00 0.00 H new ATOM 1092 N SER A 74 4.416 10.749 -10.451 1.00 0.00 N ATOM 1093 CA SER A 74 4.184 12.108 -10.984 1.00 0.00 C ATOM 1094 C SER A 74 2.894 12.789 -10.469 1.00 0.00 C ATOM 1095 O SER A 74 2.707 13.997 -10.636 1.00 0.00 O ATOM 1096 CB SER A 74 4.165 12.052 -12.518 1.00 0.00 C ATOM 1097 OG SER A 74 3.136 11.191 -12.984 1.00 0.00 O ATOM 0 H SER A 74 4.422 10.038 -11.182 1.00 0.00 H new ATOM 0 HA SER A 74 5.006 12.723 -10.619 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.015 13.054 -12.920 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.130 11.702 -12.885 1.00 0.00 H new ATOM 0 HG SER A 74 3.143 11.173 -13.964 1.00 0.00 H new ATOM 1103 N GLY A 75 2.025 12.028 -9.799 1.00 0.00 N ATOM 1104 CA GLY A 75 0.845 12.441 -9.049 1.00 0.00 C ATOM 1105 C GLY A 75 0.429 11.316 -8.093 1.00 0.00 C ATOM 1106 O GLY A 75 0.926 10.191 -8.180 1.00 0.00 O ATOM 0 H GLY A 75 2.144 11.015 -9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.058 13.350 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.028 12.672 -9.733 1.00 0.00 H new ATOM 1110 N TYR A 76 -0.453 11.628 -7.152 1.00 0.00 N ATOM 1111 CA TYR A 76 -0.852 10.753 -6.038 1.00 0.00 C ATOM 1112 C TYR A 76 -2.263 11.091 -5.483 1.00 0.00 C ATOM 1113 O TYR A 76 -2.766 12.185 -5.759 1.00 0.00 O ATOM 1114 CB TYR A 76 0.238 10.817 -4.949 1.00 0.00 C ATOM 1115 CG TYR A 76 0.787 12.189 -4.599 1.00 0.00 C ATOM 1116 CD1 TYR A 76 0.163 12.985 -3.620 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.937 12.665 -5.255 1.00 0.00 C ATOM 1118 CE1 TYR A 76 0.705 14.237 -3.284 1.00 0.00 C ATOM 1119 CE2 TYR A 76 2.477 13.921 -4.929 1.00 0.00 C ATOM 1120 CZ TYR A 76 1.867 14.712 -3.927 1.00 0.00 C ATOM 1121 OH TYR A 76 2.404 15.914 -3.581 1.00 0.00 O ATOM 0 H TYR A 76 -0.932 12.528 -7.136 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.935 9.730 -6.405 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.166 10.372 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.071 10.190 -5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.732 12.634 -3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.409 12.060 -6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.228 14.841 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.356 14.282 -5.442 1.00 0.00 H new ATOM 0 HH TYR A 76 3.202 16.084 -4.123 1.00 0.00 H new ATOM 1131 N PRO A 77 -2.933 10.188 -4.726 1.00 0.00 N ATOM 1132 CA PRO A 77 -2.475 8.871 -4.263 1.00 0.00 C ATOM 1133 C PRO A 77 -2.209 7.875 -5.404 1.00 0.00 C ATOM 1134 O PRO A 77 -2.976 7.782 -6.363 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.562 8.344 -3.311 1.00 0.00 C ATOM 1136 CG PRO A 77 -4.820 9.065 -3.786 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.293 10.413 -4.257 1.00 0.00 C ATOM 0 HA PRO A 77 -1.512 8.978 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.668 7.261 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.333 8.576 -2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.315 8.523 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.548 9.176 -2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.917 10.815 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.307 11.140 -3.445 1.00 0.00 H new ATOM 1145 N THR A 78 -1.127 7.104 -5.262 1.00 0.00 N ATOM 1146 CA THR A 78 -0.641 6.131 -6.256 1.00 0.00 C ATOM 1147 C THR A 78 -0.219 4.842 -5.552 1.00 0.00 C ATOM 1148 O THR A 78 0.754 4.834 -4.790 1.00 0.00 O ATOM 1149 CB THR A 78 0.495 6.726 -7.100 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.065 7.688 -7.972 1.00 0.00 O ATOM 1151 CG2 THR A 78 1.207 5.711 -7.999 1.00 0.00 C ATOM 0 H THR A 78 -0.543 7.138 -4.426 1.00 0.00 H new ATOM 0 HA THR A 78 -1.450 5.890 -6.946 1.00 0.00 H new ATOM 0 HB THR A 78 1.221 7.126 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.435 8.527 -7.898 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.995 6.212 -8.561 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.644 4.924 -7.384 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.489 5.273 -8.693 1.00 0.00 H new ATOM 1159 N LEU A 79 -0.967 3.757 -5.789 1.00 0.00 N ATOM 1160 CA LEU A 79 -0.722 2.456 -5.165 1.00 0.00 C ATOM 1161 C LEU A 79 0.139 1.550 -6.068 1.00 0.00 C ATOM 1162 O LEU A 79 -0.059 1.494 -7.285 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.055 1.777 -4.811 1.00 0.00 C ATOM 1164 CG LEU A 79 -2.887 2.497 -3.730 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -3.932 3.441 -4.334 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.648 1.489 -2.871 1.00 0.00 C ATOM 0 H LEU A 79 -1.765 3.760 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.162 2.621 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.656 1.696 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.850 0.761 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.172 3.067 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.492 3.924 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.432 4.200 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.616 2.872 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.228 2.019 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.320 0.907 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.940 0.820 -2.382 1.00 0.00 H new ATOM 1178 N LYS A 80 1.077 0.807 -5.468 1.00 0.00 N ATOM 1179 CA LYS A 80 2.027 -0.082 -6.160 1.00 0.00 C ATOM 1180 C LYS A 80 2.172 -1.435 -5.452 1.00 0.00 C ATOM 1181 O LYS A 80 1.942 -1.550 -4.249 1.00 0.00 O ATOM 1182 CB LYS A 80 3.397 0.615 -6.300 1.00 0.00 C ATOM 1183 CG LYS A 80 3.351 1.870 -7.196 1.00 0.00 C ATOM 1184 CD LYS A 80 4.741 2.444 -7.497 1.00 0.00 C ATOM 1185 CE LYS A 80 5.559 1.509 -8.400 1.00 0.00 C ATOM 1186 NZ LYS A 80 6.873 2.098 -8.765 1.00 0.00 N ATOM 0 H LYS A 80 1.202 0.806 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 80 1.628 -0.286 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.757 0.896 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.117 -0.092 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.856 1.621 -8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.746 2.635 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.637 3.416 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.277 2.608 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.717 0.559 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.993 1.294 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.327 1.509 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.732 3.059 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.481 2.138 -7.923 1.00 0.00 H new ATOM 1200 N ILE A 81 2.591 -2.448 -6.213 1.00 0.00 N ATOM 1201 CA ILE A 81 2.701 -3.856 -5.801 1.00 0.00 C ATOM 1202 C ILE A 81 4.149 -4.314 -5.953 1.00 0.00 C ATOM 1203 O ILE A 81 4.783 -4.063 -6.985 1.00 0.00 O ATOM 1204 CB ILE A 81 1.763 -4.725 -6.667 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.297 -4.364 -6.369 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.988 -6.225 -6.412 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.671 -4.939 -7.408 1.00 0.00 C ATOM 0 H ILE A 81 2.878 -2.306 -7.181 1.00 0.00 H new ATOM 0 HA ILE A 81 2.405 -3.961 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 81 1.989 -4.523 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.028 -4.737 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.192 -3.279 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.311 -6.806 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.019 -6.485 -6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.794 -6.449 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.691 -4.655 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.422 -4.546 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.589 -6.026 -7.420 1.00 0.00 H new ATOM 1219 N PHE A 82 4.631 -5.060 -4.960 1.00 0.00 N ATOM 1220 CA PHE A 82 5.989 -5.606 -4.919 1.00 0.00 C ATOM 1221 C PHE A 82 5.955 -7.104 -4.591 1.00 0.00 C ATOM 1222 O PHE A 82 5.939 -7.514 -3.428 1.00 0.00 O ATOM 1223 CB PHE A 82 6.869 -4.815 -3.944 1.00 0.00 C ATOM 1224 CG PHE A 82 7.085 -3.367 -4.351 1.00 0.00 C ATOM 1225 CD1 PHE A 82 6.096 -2.395 -4.101 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.268 -2.996 -5.022 1.00 0.00 C ATOM 1227 CE1 PHE A 82 6.279 -1.074 -4.537 1.00 0.00 C ATOM 1228 CE2 PHE A 82 8.454 -1.671 -5.450 1.00 0.00 C ATOM 1229 CZ PHE A 82 7.461 -0.707 -5.204 1.00 0.00 C ATOM 0 H PHE A 82 4.075 -5.308 -4.141 1.00 0.00 H new ATOM 0 HA PHE A 82 6.440 -5.501 -5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.413 -4.841 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.838 -5.308 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.195 -2.668 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.035 -3.734 -5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.510 -0.337 -4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.360 -1.393 -5.968 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.606 0.313 -5.527 1.00 0.00 H new ATOM 1239 N ARG A 83 5.887 -7.928 -5.641 1.00 0.00 N ATOM 1240 CA ARG A 83 5.913 -9.395 -5.558 1.00 0.00 C ATOM 1241 C ARG A 83 7.303 -9.878 -5.130 1.00 0.00 C ATOM 1242 O ARG A 83 8.304 -9.544 -5.765 1.00 0.00 O ATOM 1243 CB ARG A 83 5.473 -9.977 -6.913 1.00 0.00 C ATOM 1244 CG ARG A 83 5.368 -11.512 -6.874 1.00 0.00 C ATOM 1245 CD ARG A 83 4.721 -12.077 -8.144 1.00 0.00 C ATOM 1246 NE ARG A 83 5.529 -11.806 -9.353 1.00 0.00 N ATOM 1247 CZ ARG A 83 5.137 -11.911 -10.610 1.00 0.00 C ATOM 1248 NH1 ARG A 83 3.936 -12.301 -10.936 1.00 0.00 N ATOM 1249 NH2 ARG A 83 5.956 -11.627 -11.578 1.00 0.00 N ATOM 0 H ARG A 83 5.810 -7.586 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 83 5.216 -9.747 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.508 -9.555 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.186 -9.682 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.363 -11.940 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.783 -11.813 -6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.587 -13.153 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.729 -11.643 -8.268 1.00 0.00 H new ATOM 0 HE ARG A 83 6.492 -11.506 -9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.262 -12.538 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.671 -12.369 -11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.906 -11.321 -11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.648 -11.710 -12.547 1.00 0.00 H new ATOM 1263 N ASP A 84 7.357 -10.651 -4.047 1.00 0.00 N ATOM 1264 CA ASP A 84 8.584 -11.119 -3.375 1.00 0.00 C ATOM 1265 C ASP A 84 9.603 -9.983 -3.090 1.00 0.00 C ATOM 1266 O ASP A 84 10.821 -10.176 -3.143 1.00 0.00 O ATOM 1267 CB ASP A 84 9.163 -12.313 -4.161 1.00 0.00 C ATOM 1268 CG ASP A 84 10.255 -13.082 -3.394 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.089 -13.327 -2.176 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.254 -13.507 -4.024 1.00 0.00 O ATOM 0 H ASP A 84 6.511 -10.988 -3.587 1.00 0.00 H new ATOM 0 HA ASP A 84 8.328 -11.470 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.354 -12.999 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.577 -11.952 -5.102 1.00 0.00 H new ATOM 1275 N GLY A 85 9.102 -8.772 -2.805 1.00 0.00 N ATOM 1276 CA GLY A 85 9.919 -7.582 -2.545 1.00 0.00 C ATOM 1277 C GLY A 85 10.605 -6.973 -3.778 1.00 0.00 C ATOM 1278 O GLY A 85 11.682 -6.386 -3.658 1.00 0.00 O ATOM 0 H GLY A 85 8.100 -8.591 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.287 -6.820 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.685 -7.840 -1.814 1.00 0.00 H new ATOM 1282 N GLU A 86 9.996 -7.103 -4.958 1.00 0.00 N ATOM 1283 CA GLU A 86 10.454 -6.530 -6.233 1.00 0.00 C ATOM 1284 C GLU A 86 9.248 -6.025 -7.042 1.00 0.00 C ATOM 1285 O GLU A 86 8.182 -6.642 -7.019 1.00 0.00 O ATOM 1286 CB GLU A 86 11.219 -7.572 -7.070 1.00 0.00 C ATOM 1287 CG GLU A 86 12.551 -8.022 -6.453 1.00 0.00 C ATOM 1288 CD GLU A 86 13.336 -8.923 -7.429 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.115 -10.159 -7.441 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.180 -8.397 -8.195 1.00 0.00 O ATOM 0 H GLU A 86 9.131 -7.634 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 86 11.126 -5.702 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.583 -8.446 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.412 -7.156 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.151 -7.149 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.362 -8.562 -5.525 1.00 0.00 H new ATOM 1297 N GLU A 87 9.385 -4.891 -7.732 1.00 0.00 N ATOM 1298 CA GLU A 87 8.276 -4.216 -8.427 1.00 0.00 C ATOM 1299 C GLU A 87 7.532 -5.149 -9.409 1.00 0.00 C ATOM 1300 O GLU A 87 8.085 -5.550 -10.441 1.00 0.00 O ATOM 1301 CB GLU A 87 8.820 -2.968 -9.146 1.00 0.00 C ATOM 1302 CG GLU A 87 7.722 -2.143 -9.824 1.00 0.00 C ATOM 1303 CD GLU A 87 8.331 -0.962 -10.602 1.00 0.00 C ATOM 1304 OE1 GLU A 87 8.781 -1.164 -11.759 1.00 0.00 O ATOM 1305 OE2 GLU A 87 8.362 0.172 -10.058 1.00 0.00 O ATOM 0 H GLU A 87 10.277 -4.406 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 87 7.538 -3.919 -7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.346 -2.341 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.550 -3.276 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.151 -2.776 -10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.025 -1.770 -9.074 1.00 0.00 H new ATOM 1312 N ALA A 88 6.270 -5.482 -9.104 1.00 0.00 N ATOM 1313 CA ALA A 88 5.383 -6.174 -10.047 1.00 0.00 C ATOM 1314 C ALA A 88 4.849 -5.171 -11.084 1.00 0.00 C ATOM 1315 O ALA A 88 4.747 -5.486 -12.272 1.00 0.00 O ATOM 1316 CB ALA A 88 4.251 -6.843 -9.269 1.00 0.00 C ATOM 0 H ALA A 88 5.838 -5.280 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 88 5.929 -6.948 -10.586 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.588 -7.359 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.669 -7.562 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.687 -6.086 -8.724 1.00 0.00 H new ATOM 1322 N GLY A 89 4.552 -3.947 -10.629 1.00 0.00 N ATOM 1323 CA GLY A 89 4.262 -2.800 -11.487 1.00 0.00 C ATOM 1324 C GLY A 89 3.470 -1.719 -10.763 1.00 0.00 C ATOM 1325 O GLY A 89 4.045 -0.768 -10.233 1.00 0.00 O ATOM 0 H GLY A 89 4.507 -3.726 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.198 -2.378 -11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.701 -3.135 -12.359 1.00 0.00 H new ATOM 1329 N ALA A 90 2.145 -1.887 -10.725 1.00 0.00 N ATOM 1330 CA ALA A 90 1.181 -0.955 -10.140 1.00 0.00 C ATOM 1331 C ALA A 90 -0.141 -1.657 -9.762 1.00 0.00 C ATOM 1332 O ALA A 90 -0.479 -2.706 -10.314 1.00 0.00 O ATOM 1333 CB ALA A 90 0.925 0.169 -11.152 1.00 0.00 C ATOM 0 H ALA A 90 1.697 -2.714 -11.119 1.00 0.00 H new ATOM 0 HA ALA A 90 1.594 -0.548 -9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.208 0.877 -10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.861 0.685 -11.367 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.524 -0.255 -12.073 1.00 0.00 H new ATOM 1339 N TYR A 91 -0.895 -1.055 -8.842 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.260 -1.473 -8.491 1.00 0.00 C ATOM 1341 C TYR A 91 -3.268 -1.181 -9.631 1.00 0.00 C ATOM 1342 O TYR A 91 -3.020 -0.349 -10.507 1.00 0.00 O ATOM 1343 CB TYR A 91 -2.634 -0.748 -7.197 1.00 0.00 C ATOM 1344 CG TYR A 91 -3.987 -1.080 -6.607 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.320 -2.413 -6.288 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -4.909 -0.045 -6.362 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -5.585 -2.714 -5.747 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.159 -0.342 -5.787 1.00 0.00 C ATOM 1349 CZ TYR A 91 -6.510 -1.678 -5.504 1.00 0.00 C ATOM 1350 OH TYR A 91 -7.736 -1.961 -4.998 1.00 0.00 O ATOM 0 H TYR A 91 -0.572 -0.248 -8.308 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.298 -2.552 -8.344 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.872 -0.968 -6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.597 0.325 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.604 -3.204 -6.459 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.658 0.975 -6.615 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.846 -3.737 -5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.851 0.456 -5.562 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.139 -1.142 -4.640 1.00 0.00 H new ATOM 1360 N ASP A 92 -4.423 -1.866 -9.629 1.00 0.00 N ATOM 1361 CA ASP A 92 -5.400 -1.869 -10.733 1.00 0.00 C ATOM 1362 C ASP A 92 -6.862 -1.956 -10.239 1.00 0.00 C ATOM 1363 O ASP A 92 -7.670 -2.747 -10.732 1.00 0.00 O ATOM 1364 CB ASP A 92 -5.022 -2.994 -11.714 1.00 0.00 C ATOM 1365 CG ASP A 92 -5.795 -2.938 -13.044 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -5.991 -1.828 -13.600 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -6.176 -4.012 -13.570 1.00 0.00 O ATOM 0 H ASP A 92 -4.711 -2.447 -8.842 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.354 -0.915 -11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.953 -2.939 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.205 -3.957 -11.237 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.206 -1.145 -9.232 1.00 0.00 N ATOM 1373 CA GLY A 93 -8.549 -1.052 -8.648 1.00 0.00 C ATOM 1374 C GLY A 93 -8.796 0.258 -7.870 1.00 0.00 C ATOM 1375 O GLY A 93 -7.940 1.151 -7.884 1.00 0.00 O ATOM 0 H GLY A 93 -6.537 -0.516 -8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.289 -1.137 -9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.704 -1.897 -7.978 1.00 0.00 H new ATOM 1379 N PRO A 94 -9.948 0.393 -7.189 1.00 0.00 N ATOM 1380 CA PRO A 94 -10.212 1.515 -6.285 1.00 0.00 C ATOM 1381 C PRO A 94 -9.411 1.384 -4.976 1.00 0.00 C ATOM 1382 O PRO A 94 -9.173 0.280 -4.484 1.00 0.00 O ATOM 1383 CB PRO A 94 -11.726 1.487 -6.046 1.00 0.00 C ATOM 1384 CG PRO A 94 -12.088 0.005 -6.190 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.085 -0.519 -7.222 1.00 0.00 C ATOM 0 HA PRO A 94 -9.897 2.468 -6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.983 1.868 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.258 2.102 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.997 -0.523 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.116 -0.124 -6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.775 -1.536 -6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.530 -0.549 -8.216 1.00 0.00 H new ATOM 1393 N ARG A 95 -9.000 2.522 -4.397 1.00 0.00 N ATOM 1394 CA ARG A 95 -8.176 2.617 -3.166 1.00 0.00 C ATOM 1395 C ARG A 95 -8.954 2.448 -1.848 1.00 0.00 C ATOM 1396 O ARG A 95 -8.407 2.669 -0.763 1.00 0.00 O ATOM 1397 CB ARG A 95 -7.376 3.938 -3.209 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.228 5.212 -3.160 1.00 0.00 C ATOM 1399 CD ARG A 95 -7.320 6.451 -3.202 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.104 7.705 -3.201 1.00 0.00 N ATOM 1401 CZ ARG A 95 -8.559 8.365 -4.255 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -8.369 7.957 -5.479 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -9.208 9.480 -4.094 1.00 0.00 N ATOM 0 H ARG A 95 -9.236 3.437 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.497 1.764 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.680 3.952 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.778 3.954 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.920 5.229 -4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.830 5.222 -2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.650 6.440 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.695 6.414 -4.094 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.318 8.106 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.851 7.096 -5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.738 8.499 -6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.367 9.847 -3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.558 9.988 -4.906 1.00 0.00 H new ATOM 1417 N THR A 96 -10.233 2.103 -1.944 1.00 0.00 N ATOM 1418 CA THR A 96 -11.142 1.829 -0.814 1.00 0.00 C ATOM 1419 C THR A 96 -10.829 0.465 -0.186 1.00 0.00 C ATOM 1420 O THR A 96 -10.366 -0.435 -0.884 1.00 0.00 O ATOM 1421 CB THR A 96 -12.610 1.825 -1.271 1.00 0.00 C ATOM 1422 OG1 THR A 96 -12.809 0.944 -2.358 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.060 3.213 -1.725 1.00 0.00 C ATOM 0 H THR A 96 -10.695 1.999 -2.848 1.00 0.00 H new ATOM 0 HA THR A 96 -10.991 2.621 -0.081 1.00 0.00 H new ATOM 0 HB THR A 96 -13.193 1.502 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.752 0.962 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.102 3.172 -2.041 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.958 3.917 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.441 3.541 -2.560 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.124 0.288 1.110 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.835 -0.934 1.871 1.00 0.00 C ATOM 1433 C ALA A 97 -11.209 -2.228 1.131 1.00 0.00 C ATOM 1434 O ALA A 97 -10.395 -3.142 0.991 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.575 -0.877 3.215 1.00 0.00 C ATOM 0 H ALA A 97 -11.581 1.008 1.670 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.755 -0.966 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.364 -1.782 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.239 -0.007 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.648 -0.802 3.037 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.442 -2.282 0.629 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.000 -3.446 -0.065 1.00 0.00 C ATOM 1443 C ASP A 98 -12.408 -3.637 -1.466 1.00 0.00 C ATOM 1444 O ASP A 98 -12.348 -4.768 -1.942 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.532 -3.361 -0.115 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.127 -3.882 1.204 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.196 -3.117 2.195 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -15.461 -5.083 1.289 1.00 0.00 O ATOM 0 H ASP A 98 -13.096 -1.502 0.694 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.719 -4.328 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.843 -2.330 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.911 -3.948 -0.952 1.00 0.00 H new ATOM 1453 N GLY A 99 -11.909 -2.580 -2.117 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.122 -2.678 -3.352 1.00 0.00 C ATOM 1455 C GLY A 99 -9.804 -3.432 -3.120 1.00 0.00 C ATOM 1456 O GLY A 99 -9.534 -4.424 -3.807 1.00 0.00 O ATOM 0 H GLY A 99 -12.042 -1.621 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.706 -3.190 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.909 -1.678 -3.729 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.036 -3.013 -2.101 1.00 0.00 N ATOM 1461 CA ILE A 100 -7.769 -3.662 -1.714 1.00 0.00 C ATOM 1462 C ILE A 100 -8.002 -5.140 -1.366 1.00 0.00 C ATOM 1463 O ILE A 100 -7.268 -6.020 -1.818 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.105 -2.959 -0.494 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.116 -1.414 -0.495 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.659 -3.473 -0.323 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.520 -0.732 -1.730 1.00 0.00 C ATOM 0 H ILE A 100 -9.276 -2.211 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.100 -3.581 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.737 -3.230 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.147 -1.079 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.572 -1.067 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.196 -2.980 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.673 -4.550 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.086 -3.253 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.584 0.350 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.475 -1.024 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.076 -1.036 -2.617 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.056 -5.421 -0.588 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.449 -6.781 -0.188 1.00 0.00 C ATOM 1481 C VAL A 101 -9.838 -7.627 -1.400 1.00 0.00 C ATOM 1482 O VAL A 101 -9.317 -8.726 -1.566 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.611 -6.726 0.827 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.201 -8.102 1.153 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.157 -6.096 2.150 1.00 0.00 C ATOM 0 H VAL A 101 -9.670 -4.699 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.589 -7.254 0.286 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.378 -6.121 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.012 -7.989 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.585 -8.558 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.425 -8.739 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.995 -6.070 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.348 -6.689 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.805 -5.081 1.968 1.00 0.00 H new ATOM 1495 N SER A 102 -10.707 -7.108 -2.270 1.00 0.00 N ATOM 1496 CA SER A 102 -11.186 -7.821 -3.469 1.00 0.00 C ATOM 1497 C SER A 102 -10.046 -8.222 -4.414 1.00 0.00 C ATOM 1498 O SER A 102 -10.002 -9.366 -4.869 1.00 0.00 O ATOM 1499 CB SER A 102 -12.207 -6.990 -4.255 1.00 0.00 C ATOM 1500 OG SER A 102 -13.350 -6.709 -3.468 1.00 0.00 O ATOM 0 H SER A 102 -11.105 -6.174 -2.167 1.00 0.00 H new ATOM 0 HA SER A 102 -11.663 -8.727 -3.095 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.747 -6.057 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.505 -7.529 -5.154 1.00 0.00 H new ATOM 0 HG SER A 102 -13.208 -5.877 -2.971 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.076 -7.332 -4.639 1.00 0.00 N ATOM 1507 CA HIS A 103 -7.874 -7.615 -5.431 1.00 0.00 C ATOM 1508 C HIS A 103 -7.042 -8.776 -4.862 1.00 0.00 C ATOM 1509 O HIS A 103 -6.478 -9.564 -5.620 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.049 -6.319 -5.507 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.640 -6.504 -6.010 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.228 -6.504 -7.324 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.527 -6.689 -5.232 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -3.898 -6.695 -7.339 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.422 -6.816 -6.085 1.00 0.00 N ATOM 0 H HIS A 103 -9.103 -6.381 -4.271 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.173 -7.940 -6.428 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.564 -5.613 -6.158 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.011 -5.869 -4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.505 -6.730 -4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.294 -6.745 -8.233 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.452 -6.969 -5.811 1.00 0.00 H new ATOM 1523 N LEU A 104 -6.983 -8.909 -3.534 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.283 -9.996 -2.849 1.00 0.00 C ATOM 1525 C LEU A 104 -7.104 -11.299 -2.837 1.00 0.00 C ATOM 1526 O LEU A 104 -6.576 -12.351 -3.196 1.00 0.00 O ATOM 1527 CB LEU A 104 -5.883 -9.473 -1.455 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.083 -10.415 -0.543 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -5.990 -11.401 0.204 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -3.988 -11.177 -1.287 1.00 0.00 C ATOM 0 H LEU A 104 -7.429 -8.251 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.377 -10.281 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.299 -8.563 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.794 -9.190 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.598 -9.766 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.382 -12.047 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.697 -10.848 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.537 -12.009 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.458 -11.826 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.437 -11.781 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.287 -10.468 -1.728 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.397 -11.276 -2.501 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.244 -12.492 -2.455 1.00 0.00 C ATOM 1544 C LYS A 105 -9.339 -13.207 -3.804 1.00 0.00 C ATOM 1545 O LYS A 105 -9.449 -14.435 -3.850 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.652 -12.146 -1.950 1.00 0.00 C ATOM 1547 CG LYS A 105 -10.625 -11.734 -0.474 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.026 -11.489 0.109 1.00 0.00 C ATOM 1549 CE LYS A 105 -12.854 -12.778 0.205 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.168 -12.539 0.858 1.00 0.00 N ATOM 0 H LYS A 105 -8.894 -10.421 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.759 -13.179 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.067 -11.336 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.309 -13.006 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.128 -12.512 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.030 -10.827 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.932 -11.047 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.554 -10.767 -0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.012 -13.184 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.298 -13.527 0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.700 -13.432 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.016 -12.175 1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.709 -11.843 0.306 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.242 -12.445 -4.900 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.206 -12.939 -6.290 1.00 0.00 C ATOM 1566 C LYS A 106 -7.967 -13.785 -6.645 1.00 0.00 C ATOM 1567 O LYS A 106 -7.981 -14.453 -7.679 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.342 -11.740 -7.256 1.00 0.00 C ATOM 1569 CG LYS A 106 -10.782 -11.220 -7.381 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.685 -12.142 -8.221 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.080 -11.546 -8.455 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.888 -11.504 -7.208 1.00 0.00 N ATOM 0 H LYS A 106 -9.184 -11.428 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.048 -13.623 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.699 -10.930 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.983 -12.034 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.211 -11.111 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.766 -10.228 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.209 -12.333 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.784 -13.104 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.980 -10.537 -8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.604 -12.137 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.822 -11.094 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.007 -12.469 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.402 -10.919 -6.499 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.930 -13.803 -5.803 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.674 -14.536 -6.021 1.00 0.00 C ATOM 1588 C GLN A 107 -5.251 -15.425 -4.842 1.00 0.00 C ATOM 1589 O GLN A 107 -4.694 -16.507 -5.049 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.572 -13.530 -6.375 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.344 -12.379 -5.382 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.290 -11.390 -5.862 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.118 -11.701 -6.016 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.670 -10.157 -6.112 1.00 0.00 N ATOM 0 H GLN A 107 -6.939 -13.291 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.842 -15.229 -6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.635 -14.076 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.805 -13.099 -7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.284 -11.852 -5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.040 -12.790 -4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.646 -9.889 -5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.989 -9.468 -6.432 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.552 -15.008 -3.611 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.290 -15.771 -2.384 1.00 0.00 C ATOM 1605 C ALA A 108 -6.114 -17.073 -2.258 1.00 0.00 C ATOM 1606 O ALA A 108 -5.646 -18.035 -1.639 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.546 -14.861 -1.180 1.00 0.00 C ATOM 0 H ALA A 108 -5.996 -14.107 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.249 -16.093 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.356 -15.413 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.883 -13.998 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.582 -14.523 -1.193 1.00 0.00 H new ATOM 1613 N GLY A 109 -7.318 -17.119 -2.850 1.00 0.00 N ATOM 1614 CA GLY A 109 -8.200 -18.299 -2.875 1.00 0.00 C ATOM 1615 C GLY A 109 -9.459 -18.177 -1.984 1.00 0.00 C ATOM 1616 O GLY A 109 -9.669 -17.147 -1.337 1.00 0.00 O ATOM 0 H GLY A 109 -7.716 -16.316 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.514 -18.481 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.628 -19.171 -2.557 1.00 0.00 H new ATOM 1620 N PRO A 110 -10.309 -19.229 -1.944 1.00 0.00 N ATOM 1621 CA PRO A 110 -11.588 -19.215 -1.228 1.00 0.00 C ATOM 1622 C PRO A 110 -11.461 -19.256 0.307 1.00 0.00 C ATOM 1623 O PRO A 110 -12.392 -18.844 1.000 1.00 0.00 O ATOM 1624 CB PRO A 110 -12.355 -20.437 -1.758 1.00 0.00 C ATOM 1625 CG PRO A 110 -11.243 -21.411 -2.152 1.00 0.00 C ATOM 1626 CD PRO A 110 -10.149 -20.480 -2.673 1.00 0.00 C ATOM 0 HA PRO A 110 -12.105 -18.273 -1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.010 -20.861 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -12.983 -20.178 -2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.901 -22.001 -1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.573 -22.115 -2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.160 -20.907 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.249 -20.322 -3.747 1.00 0.00 H new ATOM 1634 N ALA A 111 -10.323 -19.733 0.836 1.00 0.00 N ATOM 1635 CA ALA A 111 -9.933 -19.709 2.255 1.00 0.00 C ATOM 1636 C ALA A 111 -11.056 -20.072 3.269 1.00 0.00 C ATOM 1637 O ALA A 111 -11.220 -19.413 4.306 1.00 0.00 O ATOM 1638 CB ALA A 111 -9.251 -18.358 2.531 1.00 0.00 C ATOM 0 H ALA A 111 -9.610 -20.170 0.252 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.229 -20.523 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.950 -18.310 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -8.371 -18.258 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.948 -17.548 2.316 1.00 0.00 H new ATOM 1644 N SER A 112 -11.846 -21.114 2.966 1.00 0.00 N ATOM 1645 CA SER A 112 -13.074 -21.484 3.700 1.00 0.00 C ATOM 1646 C SER A 112 -13.086 -22.933 4.226 1.00 0.00 C ATOM 1647 O SER A 112 -14.124 -23.411 4.696 1.00 0.00 O ATOM 1648 CB SER A 112 -14.301 -21.226 2.807 1.00 0.00 C ATOM 1649 OG SER A 112 -14.440 -19.836 2.518 1.00 0.00 O ATOM 0 H SER A 112 -11.647 -21.740 2.186 1.00 0.00 H new ATOM 0 HA SER A 112 -13.106 -20.854 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.203 -21.786 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.200 -21.589 3.305 1.00 0.00 H new ATOM 0 HG SER A 112 -13.636 -19.515 2.059 1.00 0.00 H new ATOM 1655 N VAL A 113 -11.938 -23.631 4.183 1.00 0.00 N ATOM 1656 CA VAL A 113 -11.725 -25.014 4.677 1.00 0.00 C ATOM 1657 C VAL A 113 -10.378 -25.183 5.389 1.00 0.00 C ATOM 1658 O VAL A 113 -9.402 -24.468 5.063 1.00 0.00 O ATOM 1659 CB VAL A 113 -11.851 -26.068 3.564 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -13.301 -26.195 3.079 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -10.945 -25.792 2.357 1.00 0.00 C ATOM 1662 OXT VAL A 113 -10.307 -26.028 6.313 1.00 0.00 O ATOM 0 H VAL A 113 -11.088 -23.232 3.784 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.523 -25.181 5.400 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.525 -27.004 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.357 -26.948 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.938 -26.492 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.639 -25.235 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.085 -26.574 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.202 -24.826 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -9.904 -25.780 2.679 1.00 0.00 H new TER 1672 VAL A 113