USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 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 103 GLN : amide:sc= -0.683 X(o=-2.1,f=-2.1) USER MOD Set 1.2: A 108 GLN : amide:sc= -1.4 X(o=-2.1,f=-2.1!) USER MOD Set 2.1: A 93 TYR OH : rot 34:sc= 0.346 USER MOD Set 2.2: A 100 CYS SG : rot 29:sc= 1.8 USER MOD Set 2.3: A 113 SER OG : rot 65:sc= 1.77 USER MOD Single : A 64 SER OG : rot 80:sc= -11.1! USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.102 K(o=0.1,f=-3.9!) USER MOD Single : A 79 THR OG1 : rot -79:sc= 2.03 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -11.7! C(o=-12!,f=-29!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 104 THR OG1 : rot -128:sc= -3.06! USER MOD Single : A 105 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0217) USER MOD Single : A 106 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 120 SER OG : rot 180:sc= -0.59 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 64 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA SER A 64 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C SER A 64 3.575 0.000 -0.953 1.00 1.00 C ATOM 4 O SER A 64 3.986 0.000 0.206 1.00 1.00 O ATOM 5 CB SER A 64 1.701 1.205 -2.112 1.00 1.00 C ATOM 6 OG SER A 64 2.424 1.224 -3.339 1.00 1.00 O ATOM 0 HA SER A 64 1.816 -0.904 -1.798 1.00 1.00 H new ATOM 0 HB2 SER A 64 0.632 1.184 -2.322 1.00 1.00 H new ATOM 0 HB3 SER A 64 1.900 2.124 -1.560 1.00 1.00 H new ATOM 0 HG SER A 64 2.008 0.604 -3.974 1.00 1.00 H new ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.372 1.224 -2.618 1.00 1.00 C ATOM 15 O LEU A 65 5.622 2.039 -3.154 1.00 1.00 O ATOM 16 CB LEU A 65 6.382 -1.328 -2.390 1.00 1.00 C ATOM 17 CG LEU A 65 6.119 -2.545 -1.500 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.581 -2.285 -0.065 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.648 -2.961 -1.563 1.00 1.00 C ATOM 0 H LEU A 65 4.010 0.000 -2.985 1.00 1.00 H new ATOM 0 HA LEU A 65 6.092 0.081 -0.852 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.979 -1.534 -3.382 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.460 -1.211 -2.502 1.00 1.00 H new ATOM 0 HG LEU A 65 6.707 -3.381 -1.880 1.00 1.00 H new ATOM 0 HD11 LEU A 65 6.383 -3.165 0.546 1.00 1.00 H new ATOM 0 HD12 LEU A 65 7.650 -2.073 -0.060 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.040 -1.431 0.342 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.487 -3.828 -0.922 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.022 -2.137 -1.222 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.385 -3.215 -2.590 1.00 1.00 H new ATOM 31 N PHE A 66 7.694 1.315 -2.605 1.00 1.00 N ATOM 32 CA PHE A 66 8.373 2.426 -3.250 1.00 1.00 C ATOM 33 C PHE A 66 9.256 1.936 -4.399 1.00 1.00 C ATOM 34 O PHE A 66 9.584 0.753 -4.475 1.00 1.00 O ATOM 35 CB PHE A 66 9.257 3.086 -2.189 1.00 1.00 C ATOM 36 CG PHE A 66 8.566 3.282 -0.838 1.00 1.00 C ATOM 37 CD1 PHE A 66 8.341 2.214 -0.028 1.00 1.00 C ATOM 38 CD2 PHE A 66 8.178 4.526 -0.447 1.00 1.00 C ATOM 39 CE1 PHE A 66 7.700 2.396 1.226 1.00 1.00 C ATOM 40 CE2 PHE A 66 7.537 4.708 0.806 1.00 1.00 C ATOM 41 CZ PHE A 66 7.312 3.640 1.617 1.00 1.00 C ATOM 0 H PHE A 66 8.312 0.638 -2.158 1.00 1.00 H new ATOM 0 HA PHE A 66 7.641 3.122 -3.661 1.00 1.00 H new ATOM 0 HB2 PHE A 66 10.149 2.477 -2.044 1.00 1.00 H new ATOM 0 HB3 PHE A 66 9.589 4.056 -2.560 1.00 1.00 H new ATOM 0 HD1 PHE A 66 8.650 1.227 -0.338 1.00 1.00 H new ATOM 0 HD2 PHE A 66 8.358 5.375 -1.090 1.00 1.00 H new ATOM 0 HE1 PHE A 66 7.521 1.547 1.869 1.00 1.00 H new ATOM 0 HE2 PHE A 66 7.228 5.695 1.116 1.00 1.00 H new ATOM 0 HZ PHE A 66 6.825 3.779 2.571 1.00 1.00 H new ATOM 51 N VAL A 67 9.616 2.872 -5.266 1.00 1.00 N ATOM 52 CA VAL A 67 10.455 2.550 -6.409 1.00 1.00 C ATOM 53 C VAL A 67 11.647 3.508 -6.446 1.00 1.00 C ATOM 54 O VAL A 67 11.507 4.691 -6.139 1.00 1.00 O ATOM 55 CB VAL A 67 9.623 2.579 -7.693 1.00 1.00 C ATOM 56 CG1 VAL A 67 9.111 1.182 -8.046 1.00 1.00 C ATOM 57 CG2 VAL A 67 8.466 3.573 -7.574 1.00 1.00 C ATOM 0 H VAL A 67 9.342 3.852 -5.200 1.00 1.00 H new ATOM 0 HA VAL A 67 10.853 1.539 -6.319 1.00 1.00 H new ATOM 0 HB VAL A 67 10.270 2.913 -8.504 1.00 1.00 H new ATOM 0 HG11 VAL A 67 8.523 1.231 -8.962 1.00 1.00 H new ATOM 0 HG12 VAL A 67 9.957 0.511 -8.193 1.00 1.00 H new ATOM 0 HG13 VAL A 67 8.488 0.807 -7.234 1.00 1.00 H new ATOM 0 HG21 VAL A 67 7.891 3.574 -8.500 1.00 1.00 H new ATOM 0 HG22 VAL A 67 7.820 3.282 -6.746 1.00 1.00 H new ATOM 0 HG23 VAL A 67 8.862 4.572 -7.392 1.00 1.00 H new ATOM 67 N ALA A 68 12.792 2.962 -6.826 1.00 1.00 N ATOM 68 CA ALA A 68 14.008 3.753 -6.908 1.00 1.00 C ATOM 69 C ALA A 68 13.901 4.723 -8.087 1.00 1.00 C ATOM 70 O ALA A 68 13.360 4.375 -9.135 1.00 1.00 O ATOM 71 CB ALA A 68 15.217 2.822 -7.027 1.00 1.00 C ATOM 0 H ALA A 68 12.904 1.981 -7.081 1.00 1.00 H new ATOM 0 HA ALA A 68 14.142 4.346 -6.003 1.00 1.00 H new ATOM 0 HB1 ALA A 68 16.129 3.416 -7.089 1.00 1.00 H new ATOM 0 HB2 ALA A 68 15.264 2.174 -6.152 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.120 2.212 -7.925 1.00 1.00 H new ATOM 77 N LEU A 69 14.426 5.921 -7.875 1.00 1.00 N ATOM 78 CA LEU A 69 14.397 6.944 -8.906 1.00 1.00 C ATOM 79 C LEU A 69 15.745 6.972 -9.629 1.00 1.00 C ATOM 80 O LEU A 69 15.807 6.777 -10.842 1.00 1.00 O ATOM 81 CB LEU A 69 13.990 8.294 -8.311 1.00 1.00 C ATOM 82 CG LEU A 69 12.689 8.897 -8.844 1.00 1.00 C ATOM 83 CD1 LEU A 69 12.174 9.997 -7.914 1.00 1.00 C ATOM 84 CD2 LEU A 69 12.862 9.394 -10.280 1.00 1.00 C ATOM 0 H LEU A 69 14.874 6.206 -7.004 1.00 1.00 H new ATOM 0 HA LEU A 69 13.639 6.710 -9.653 1.00 1.00 H new ATOM 0 HB2 LEU A 69 13.899 8.180 -7.231 1.00 1.00 H new ATOM 0 HB3 LEU A 69 14.797 9.005 -8.489 1.00 1.00 H new ATOM 0 HG LEU A 69 11.932 8.113 -8.865 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.248 10.409 -8.316 1.00 1.00 H new ATOM 0 HD12 LEU A 69 11.986 9.579 -6.925 1.00 1.00 H new ATOM 0 HD13 LEU A 69 12.920 10.788 -7.838 1.00 1.00 H new ATOM 0 HD21 LEU A 69 11.922 9.818 -10.634 1.00 1.00 H new ATOM 0 HD22 LEU A 69 13.639 10.158 -10.309 1.00 1.00 H new ATOM 0 HD23 LEU A 69 13.149 8.561 -10.921 1.00 1.00 H new ATOM 96 N TYR A 70 16.791 7.217 -8.854 1.00 1.00 N ATOM 97 CA TYR A 70 18.134 7.273 -9.406 1.00 1.00 C ATOM 98 C TYR A 70 18.963 6.068 -8.955 1.00 1.00 C ATOM 99 O TYR A 70 18.558 5.333 -8.056 1.00 1.00 O ATOM 100 CB TYR A 70 18.767 8.549 -8.846 1.00 1.00 C ATOM 101 CG TYR A 70 18.452 9.807 -9.658 1.00 1.00 C ATOM 102 CD1 TYR A 70 17.298 10.521 -9.406 1.00 1.00 C ATOM 103 CD2 TYR A 70 19.322 10.228 -10.643 1.00 1.00 C ATOM 104 CE1 TYR A 70 17.002 11.705 -10.170 1.00 1.00 C ATOM 105 CE2 TYR A 70 19.026 11.412 -11.407 1.00 1.00 C ATOM 106 CZ TYR A 70 17.881 12.092 -11.133 1.00 1.00 C ATOM 107 OH TYR A 70 17.601 13.210 -11.854 1.00 1.00 O ATOM 0 H TYR A 70 16.736 7.379 -7.848 1.00 1.00 H new ATOM 0 HA TYR A 70 18.102 7.265 -10.495 1.00 1.00 H new ATOM 0 HB2 TYR A 70 18.423 8.694 -7.822 1.00 1.00 H new ATOM 0 HB3 TYR A 70 19.848 8.418 -8.803 1.00 1.00 H new ATOM 0 HD1 TYR A 70 16.617 10.191 -8.635 1.00 1.00 H new ATOM 0 HD2 TYR A 70 20.225 9.669 -10.841 1.00 1.00 H new ATOM 0 HE1 TYR A 70 16.103 12.273 -9.983 1.00 1.00 H new ATOM 0 HE2 TYR A 70 19.699 11.752 -12.180 1.00 1.00 H new ATOM 0 HH TYR A 70 18.316 13.367 -12.505 1.00 1.00 H new ATOM 117 N ASP A 71 20.107 5.902 -9.602 1.00 1.00 N ATOM 118 CA ASP A 71 20.996 4.799 -9.280 1.00 1.00 C ATOM 119 C ASP A 71 21.920 5.213 -8.133 1.00 1.00 C ATOM 120 O ASP A 71 21.858 6.346 -7.658 1.00 1.00 O ATOM 121 CB ASP A 71 21.869 4.426 -10.479 1.00 1.00 C ATOM 122 CG ASP A 71 21.212 4.630 -11.846 1.00 1.00 C ATOM 123 OD1 ASP A 71 19.986 4.874 -11.855 1.00 1.00 O ATOM 124 OD2 ASP A 71 21.950 4.539 -12.850 1.00 1.00 O ATOM 0 H ASP A 71 20.439 6.513 -10.348 1.00 1.00 H new ATOM 0 HA ASP A 71 20.382 3.942 -9.001 1.00 1.00 H new ATOM 0 HB2 ASP A 71 22.784 5.017 -10.441 1.00 1.00 H new ATOM 0 HB3 ASP A 71 22.161 3.380 -10.385 1.00 1.00 H new ATOM 129 N PHE A 72 22.757 4.271 -7.720 1.00 1.00 N ATOM 130 CA PHE A 72 23.693 4.524 -6.638 1.00 1.00 C ATOM 131 C PHE A 72 25.138 4.363 -7.114 1.00 1.00 C ATOM 132 O PHE A 72 25.397 3.678 -8.102 1.00 1.00 O ATOM 133 CB PHE A 72 23.408 3.487 -5.550 1.00 1.00 C ATOM 134 CG PHE A 72 23.893 3.897 -4.158 1.00 1.00 C ATOM 135 CD1 PHE A 72 25.220 3.861 -3.861 1.00 1.00 C ATOM 136 CD2 PHE A 72 22.997 4.299 -3.216 1.00 1.00 C ATOM 137 CE1 PHE A 72 25.669 4.242 -2.569 1.00 1.00 C ATOM 138 CE2 PHE A 72 23.446 4.679 -1.924 1.00 1.00 C ATOM 139 CZ PHE A 72 24.773 4.643 -1.628 1.00 1.00 C ATOM 0 H PHE A 72 22.806 3.332 -8.116 1.00 1.00 H new ATOM 0 HA PHE A 72 23.572 5.543 -6.271 1.00 1.00 H new ATOM 0 HB2 PHE A 72 22.334 3.303 -5.510 1.00 1.00 H new ATOM 0 HB3 PHE A 72 23.883 2.546 -5.826 1.00 1.00 H new ATOM 0 HD1 PHE A 72 25.932 3.543 -4.608 1.00 1.00 H new ATOM 0 HD2 PHE A 72 21.943 4.329 -3.452 1.00 1.00 H new ATOM 0 HE1 PHE A 72 26.723 4.213 -2.334 1.00 1.00 H new ATOM 0 HE2 PHE A 72 22.734 4.997 -1.176 1.00 1.00 H new ATOM 0 HZ PHE A 72 25.115 4.933 -0.646 1.00 1.00 H new ATOM 149 N VAL A 73 26.041 5.005 -6.389 1.00 1.00 N ATOM 150 CA VAL A 73 27.454 4.942 -6.725 1.00 1.00 C ATOM 151 C VAL A 73 28.221 4.302 -5.566 1.00 1.00 C ATOM 152 O VAL A 73 27.889 4.521 -4.402 1.00 1.00 O ATOM 153 CB VAL A 73 27.969 6.337 -7.085 1.00 1.00 C ATOM 154 CG1 VAL A 73 29.479 6.317 -7.332 1.00 1.00 C ATOM 155 CG2 VAL A 73 27.223 6.901 -8.296 1.00 1.00 C ATOM 0 H VAL A 73 25.822 5.572 -5.570 1.00 1.00 H new ATOM 0 HA VAL A 73 27.610 4.316 -7.603 1.00 1.00 H new ATOM 0 HB VAL A 73 27.777 6.994 -6.237 1.00 1.00 H new ATOM 0 HG11 VAL A 73 29.819 7.321 -7.586 1.00 1.00 H new ATOM 0 HG12 VAL A 73 29.991 5.977 -6.431 1.00 1.00 H new ATOM 0 HG13 VAL A 73 29.704 5.638 -8.155 1.00 1.00 H new ATOM 0 HG21 VAL A 73 27.608 7.893 -8.531 1.00 1.00 H new ATOM 0 HG22 VAL A 73 27.369 6.243 -9.152 1.00 1.00 H new ATOM 0 HG23 VAL A 73 26.159 6.969 -8.069 1.00 1.00 H new ATOM 165 N ALA A 74 29.232 3.524 -5.925 1.00 1.00 N ATOM 166 CA ALA A 74 30.048 2.852 -4.929 1.00 1.00 C ATOM 167 C ALA A 74 30.853 3.892 -4.148 1.00 1.00 C ATOM 168 O ALA A 74 31.841 4.424 -4.651 1.00 1.00 O ATOM 169 CB ALA A 74 30.944 1.819 -5.617 1.00 1.00 C ATOM 0 H ALA A 74 29.504 3.344 -6.891 1.00 1.00 H new ATOM 0 HA ALA A 74 29.420 2.318 -4.216 1.00 1.00 H new ATOM 0 HB1 ALA A 74 31.557 1.314 -4.870 1.00 1.00 H new ATOM 0 HB2 ALA A 74 30.324 1.086 -6.133 1.00 1.00 H new ATOM 0 HB3 ALA A 74 31.590 2.320 -6.338 1.00 1.00 H new ATOM 175 N SER A 75 30.399 4.152 -2.931 1.00 1.00 N ATOM 176 CA SER A 75 31.064 5.120 -2.075 1.00 1.00 C ATOM 177 C SER A 75 30.878 4.734 -0.606 1.00 1.00 C ATOM 178 O SER A 75 29.751 4.570 -0.141 1.00 1.00 O ATOM 179 CB SER A 75 30.532 6.533 -2.323 1.00 1.00 C ATOM 180 OG SER A 75 31.271 7.516 -1.604 1.00 1.00 O ATOM 0 H SER A 75 29.579 3.709 -2.517 1.00 1.00 H new ATOM 0 HA SER A 75 32.127 5.114 -2.315 1.00 1.00 H new ATOM 0 HB2 SER A 75 30.576 6.755 -3.389 1.00 1.00 H new ATOM 0 HB3 SER A 75 29.483 6.582 -2.030 1.00 1.00 H new ATOM 0 HG SER A 75 30.901 8.404 -1.790 1.00 1.00 H new ATOM 186 N GLY A 76 32.001 4.601 0.085 1.00 1.00 N ATOM 187 CA GLY A 76 31.976 4.237 1.491 1.00 1.00 C ATOM 188 C GLY A 76 32.044 2.719 1.666 1.00 1.00 C ATOM 189 O GLY A 76 32.516 2.009 0.780 1.00 1.00 O ATOM 0 H GLY A 76 32.934 4.739 -0.303 1.00 1.00 H new ATOM 0 HA2 GLY A 76 32.816 4.704 2.006 1.00 1.00 H new ATOM 0 HA3 GLY A 76 31.066 4.619 1.953 1.00 1.00 H new ATOM 193 N ASP A 77 31.567 2.266 2.816 1.00 1.00 N ATOM 194 CA ASP A 77 31.568 0.845 3.119 1.00 1.00 C ATOM 195 C ASP A 77 30.139 0.306 3.024 1.00 1.00 C ATOM 196 O ASP A 77 29.822 -0.468 2.122 1.00 1.00 O ATOM 197 CB ASP A 77 32.078 0.585 4.538 1.00 1.00 C ATOM 198 CG ASP A 77 33.509 0.052 4.623 1.00 1.00 C ATOM 199 OD1 ASP A 77 33.832 -0.841 3.810 1.00 1.00 O ATOM 200 OD2 ASP A 77 34.249 0.550 5.499 1.00 1.00 O ATOM 0 H ASP A 77 31.177 2.858 3.549 1.00 1.00 H new ATOM 0 HA ASP A 77 32.223 0.348 2.403 1.00 1.00 H new ATOM 0 HB2 ASP A 77 32.018 1.514 5.105 1.00 1.00 H new ATOM 0 HB3 ASP A 77 31.411 -0.128 5.023 1.00 1.00 H new ATOM 205 N ASN A 78 29.314 0.738 3.967 1.00 1.00 N ATOM 206 CA ASN A 78 27.926 0.309 4.001 1.00 1.00 C ATOM 207 C ASN A 78 27.135 1.070 2.935 1.00 1.00 C ATOM 208 O ASN A 78 26.493 2.076 3.233 1.00 1.00 O ATOM 209 CB ASN A 78 27.291 0.604 5.361 1.00 1.00 C ATOM 210 CG ASN A 78 27.624 2.024 5.825 1.00 1.00 C ATOM 211 OD1 ASN A 78 28.765 2.369 6.082 1.00 1.00 O ATOM 212 ND2 ASN A 78 26.566 2.825 5.917 1.00 1.00 N ATOM 0 H ASN A 78 29.580 1.381 4.713 1.00 1.00 H new ATOM 0 HA ASN A 78 27.901 -0.765 3.817 1.00 1.00 H new ATOM 0 HB2 ASN A 78 26.210 0.483 5.295 1.00 1.00 H new ATOM 0 HB3 ASN A 78 27.648 -0.116 6.097 1.00 1.00 H new ATOM 0 HD21 ASN A 78 26.683 3.792 6.218 1.00 1.00 H new ATOM 0 HD22 ASN A 78 25.637 2.472 5.686 1.00 1.00 H new ATOM 219 N THR A 79 27.208 0.561 1.714 1.00 1.00 N ATOM 220 CA THR A 79 26.507 1.181 0.602 1.00 1.00 C ATOM 221 C THR A 79 25.835 0.114 -0.266 1.00 1.00 C ATOM 222 O THR A 79 26.081 -1.078 -0.091 1.00 1.00 O ATOM 223 CB THR A 79 27.508 2.046 -0.166 1.00 1.00 C ATOM 224 OG1 THR A 79 27.004 3.371 -0.022 1.00 1.00 O ATOM 225 CG2 THR A 79 27.466 1.792 -1.674 1.00 1.00 C ATOM 0 H THR A 79 27.742 -0.273 1.470 1.00 1.00 H new ATOM 0 HA THR A 79 25.701 1.826 0.953 1.00 1.00 H new ATOM 0 HB THR A 79 28.514 1.853 0.206 1.00 1.00 H new ATOM 0 HG1 THR A 79 26.263 3.509 -0.648 1.00 1.00 H new ATOM 0 HG21 THR A 79 28.196 2.431 -2.171 1.00 1.00 H new ATOM 0 HG22 THR A 79 27.703 0.747 -1.874 1.00 1.00 H new ATOM 0 HG23 THR A 79 26.469 2.016 -2.053 1.00 1.00 H new ATOM 233 N LEU A 80 25.000 0.582 -1.181 1.00 1.00 N ATOM 234 CA LEU A 80 24.290 -0.316 -2.076 1.00 1.00 C ATOM 235 C LEU A 80 24.359 0.232 -3.503 1.00 1.00 C ATOM 236 O LEU A 80 23.859 1.322 -3.777 1.00 1.00 O ATOM 237 CB LEU A 80 22.864 -0.554 -1.577 1.00 1.00 C ATOM 238 CG LEU A 80 22.291 -1.951 -1.825 1.00 1.00 C ATOM 239 CD1 LEU A 80 20.882 -2.077 -1.241 1.00 1.00 C ATOM 240 CD2 LEU A 80 22.328 -2.303 -3.313 1.00 1.00 C ATOM 0 H LEU A 80 24.799 1.572 -1.322 1.00 1.00 H new ATOM 0 HA LEU A 80 24.766 -1.296 -2.087 1.00 1.00 H new ATOM 0 HB2 LEU A 80 22.838 -0.357 -0.505 1.00 1.00 H new ATOM 0 HB3 LEU A 80 22.208 0.176 -2.051 1.00 1.00 H new ATOM 0 HG LEU A 80 22.920 -2.675 -1.308 1.00 1.00 H new ATOM 0 HD11 LEU A 80 20.498 -3.079 -1.431 1.00 1.00 H new ATOM 0 HD12 LEU A 80 20.916 -1.899 -0.166 1.00 1.00 H new ATOM 0 HD13 LEU A 80 20.227 -1.342 -1.709 1.00 1.00 H new ATOM 0 HD21 LEU A 80 21.915 -3.301 -3.461 1.00 1.00 H new ATOM 0 HD22 LEU A 80 21.737 -1.579 -3.873 1.00 1.00 H new ATOM 0 HD23 LEU A 80 23.359 -2.281 -3.667 1.00 1.00 H new ATOM 252 N SER A 81 24.982 -0.548 -4.373 1.00 1.00 N ATOM 253 CA SER A 81 25.123 -0.154 -5.765 1.00 1.00 C ATOM 254 C SER A 81 23.995 -0.766 -6.599 1.00 1.00 C ATOM 255 O SER A 81 23.988 -1.970 -6.851 1.00 1.00 O ATOM 256 CB SER A 81 26.484 -0.576 -6.322 1.00 1.00 C ATOM 257 OG SER A 81 27.562 -0.001 -5.589 1.00 1.00 O ATOM 0 H SER A 81 25.395 -1.451 -4.142 1.00 1.00 H new ATOM 0 HA SER A 81 25.059 0.933 -5.821 1.00 1.00 H new ATOM 0 HB2 SER A 81 26.566 -1.663 -6.295 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.556 -0.277 -7.368 1.00 1.00 H new ATOM 0 HG SER A 81 28.414 -0.296 -5.974 1.00 1.00 H new ATOM 263 N ILE A 82 23.069 0.091 -7.003 1.00 1.00 N ATOM 264 CA ILE A 82 21.940 -0.350 -7.803 1.00 1.00 C ATOM 265 C ILE A 82 21.939 0.402 -9.136 1.00 1.00 C ATOM 266 O ILE A 82 22.693 1.357 -9.314 1.00 1.00 O ATOM 267 CB ILE A 82 20.636 -0.206 -7.015 1.00 1.00 C ATOM 268 CG1 ILE A 82 20.760 0.882 -5.946 1.00 1.00 C ATOM 269 CG2 ILE A 82 20.203 -1.547 -6.421 1.00 1.00 C ATOM 270 CD1 ILE A 82 21.376 0.321 -4.663 1.00 1.00 C ATOM 0 H ILE A 82 23.078 1.089 -6.791 1.00 1.00 H new ATOM 0 HA ILE A 82 22.030 -1.411 -8.035 1.00 1.00 H new ATOM 0 HB ILE A 82 19.852 0.108 -7.705 1.00 1.00 H new ATOM 0 HG12 ILE A 82 21.376 1.699 -6.323 1.00 1.00 H new ATOM 0 HG13 ILE A 82 19.776 1.298 -5.730 1.00 1.00 H new ATOM 0 HG21 ILE A 82 19.274 -1.416 -5.866 1.00 1.00 H new ATOM 0 HG22 ILE A 82 20.048 -2.268 -7.224 1.00 1.00 H new ATOM 0 HG23 ILE A 82 20.978 -1.914 -5.749 1.00 1.00 H new ATOM 0 HD11 ILE A 82 21.453 1.114 -3.919 1.00 1.00 H new ATOM 0 HD12 ILE A 82 20.745 -0.479 -4.276 1.00 1.00 H new ATOM 0 HD13 ILE A 82 22.369 -0.072 -4.878 1.00 1.00 H new ATOM 282 N THR A 83 21.084 -0.058 -10.038 1.00 1.00 N ATOM 283 CA THR A 83 20.976 0.559 -11.349 1.00 1.00 C ATOM 284 C THR A 83 19.598 1.200 -11.524 1.00 1.00 C ATOM 285 O THR A 83 18.661 0.875 -10.797 1.00 1.00 O ATOM 286 CB THR A 83 21.288 -0.507 -12.401 1.00 1.00 C ATOM 287 OG1 THR A 83 22.472 -1.136 -11.917 1.00 1.00 O ATOM 288 CG2 THR A 83 21.709 0.098 -13.741 1.00 1.00 C ATOM 0 H THR A 83 20.460 -0.850 -9.887 1.00 1.00 H new ATOM 0 HA THR A 83 21.695 1.370 -11.465 1.00 1.00 H new ATOM 0 HB THR A 83 20.412 -1.139 -12.548 1.00 1.00 H new ATOM 0 HG1 THR A 83 22.744 -1.843 -12.539 1.00 1.00 H new ATOM 0 HG21 THR A 83 21.919 -0.702 -14.451 1.00 1.00 H new ATOM 0 HG22 THR A 83 20.904 0.724 -14.126 1.00 1.00 H new ATOM 0 HG23 THR A 83 22.605 0.704 -13.602 1.00 1.00 H new ATOM 296 N LYS A 84 19.518 2.100 -12.493 1.00 1.00 N ATOM 297 CA LYS A 84 18.271 2.790 -12.773 1.00 1.00 C ATOM 298 C LYS A 84 17.203 1.766 -13.161 1.00 1.00 C ATOM 299 O LYS A 84 17.474 0.567 -13.206 1.00 1.00 O ATOM 300 CB LYS A 84 18.486 3.882 -13.823 1.00 1.00 C ATOM 301 CG LYS A 84 18.028 3.412 -15.205 1.00 1.00 C ATOM 302 CD LYS A 84 18.625 2.046 -15.545 1.00 1.00 C ATOM 303 CE LYS A 84 19.146 2.017 -16.984 1.00 1.00 C ATOM 304 NZ LYS A 84 18.464 0.959 -17.761 1.00 1.00 N ATOM 0 H LYS A 84 20.297 2.367 -13.094 1.00 1.00 H new ATOM 0 HA LYS A 84 17.912 3.304 -11.881 1.00 1.00 H new ATOM 0 HB2 LYS A 84 17.935 4.778 -13.539 1.00 1.00 H new ATOM 0 HB3 LYS A 84 19.541 4.154 -13.859 1.00 1.00 H new ATOM 0 HG2 LYS A 84 16.940 3.354 -15.231 1.00 1.00 H new ATOM 0 HG3 LYS A 84 18.326 4.141 -15.958 1.00 1.00 H new ATOM 0 HD2 LYS A 84 19.438 1.819 -14.856 1.00 1.00 H new ATOM 0 HD3 LYS A 84 17.869 1.272 -15.413 1.00 1.00 H new ATOM 0 HE2 LYS A 84 18.982 2.986 -17.456 1.00 1.00 H new ATOM 0 HE3 LYS A 84 20.222 1.840 -16.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 18.829 0.953 -18.735 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 18.642 0.035 -17.319 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 17.441 1.144 -17.776 1.00 1.00 H new ATOM 318 N GLY A 85 16.010 2.276 -13.433 1.00 1.00 N ATOM 319 CA GLY A 85 14.900 1.421 -13.816 1.00 1.00 C ATOM 320 C GLY A 85 15.119 -0.013 -13.329 1.00 1.00 C ATOM 321 O GLY A 85 15.146 -0.947 -14.129 1.00 1.00 O ATOM 0 H GLY A 85 15.789 3.271 -13.396 1.00 1.00 H new ATOM 0 HA2 GLY A 85 13.973 1.813 -13.398 1.00 1.00 H new ATOM 0 HA3 GLY A 85 14.788 1.428 -14.900 1.00 1.00 H new ATOM 325 N GLU A 86 15.270 -0.143 -12.019 1.00 1.00 N ATOM 326 CA GLU A 86 15.486 -1.447 -11.416 1.00 1.00 C ATOM 327 C GLU A 86 14.449 -1.703 -10.320 1.00 1.00 C ATOM 328 O GLU A 86 13.938 -0.764 -9.712 1.00 1.00 O ATOM 329 CB GLU A 86 16.907 -1.567 -10.864 1.00 1.00 C ATOM 330 CG GLU A 86 17.399 -3.014 -10.927 1.00 1.00 C ATOM 331 CD GLU A 86 17.828 -3.387 -12.347 1.00 1.00 C ATOM 332 OE1 GLU A 86 17.097 -2.994 -13.282 1.00 1.00 O ATOM 333 OE2 GLU A 86 18.877 -4.055 -12.467 1.00 1.00 O ATOM 0 H GLU A 86 15.247 0.634 -11.358 1.00 1.00 H new ATOM 0 HA GLU A 86 15.366 -2.207 -12.188 1.00 1.00 H new ATOM 0 HB2 GLU A 86 17.578 -0.926 -11.435 1.00 1.00 H new ATOM 0 HB3 GLU A 86 16.931 -1.215 -9.833 1.00 1.00 H new ATOM 0 HG2 GLU A 86 18.238 -3.147 -10.244 1.00 1.00 H new ATOM 0 HG3 GLU A 86 16.608 -3.686 -10.594 1.00 1.00 H new ATOM 340 N LYS A 87 14.168 -2.979 -10.103 1.00 1.00 N ATOM 341 CA LYS A 87 13.201 -3.371 -9.091 1.00 1.00 C ATOM 342 C LYS A 87 13.774 -3.078 -7.703 1.00 1.00 C ATOM 343 O LYS A 87 14.297 -3.974 -7.042 1.00 1.00 O ATOM 344 CB LYS A 87 12.781 -4.829 -9.288 1.00 1.00 C ATOM 345 CG LYS A 87 11.257 -4.964 -9.295 1.00 1.00 C ATOM 346 CD LYS A 87 10.702 -4.851 -10.716 1.00 1.00 C ATOM 347 CE LYS A 87 9.579 -5.863 -10.949 1.00 1.00 C ATOM 348 NZ LYS A 87 9.966 -6.836 -11.994 1.00 1.00 N ATOM 0 H LYS A 87 14.593 -3.755 -10.610 1.00 1.00 H new ATOM 0 HA LYS A 87 12.288 -2.784 -9.189 1.00 1.00 H new ATOM 0 HB2 LYS A 87 13.187 -5.205 -10.227 1.00 1.00 H new ATOM 0 HB3 LYS A 87 13.200 -5.443 -8.491 1.00 1.00 H new ATOM 0 HG2 LYS A 87 10.972 -5.924 -8.865 1.00 1.00 H new ATOM 0 HG3 LYS A 87 10.817 -4.190 -8.667 1.00 1.00 H new ATOM 0 HD2 LYS A 87 10.327 -3.841 -10.884 1.00 1.00 H new ATOM 0 HD3 LYS A 87 11.502 -5.018 -11.437 1.00 1.00 H new ATOM 0 HE2 LYS A 87 9.356 -6.388 -10.020 1.00 1.00 H new ATOM 0 HE3 LYS A 87 8.669 -5.343 -11.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 9.192 -7.515 -12.139 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 10.156 -6.332 -12.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 10.822 -7.345 -11.694 1.00 1.00 H new ATOM 362 N LEU A 88 13.657 -1.821 -7.303 1.00 1.00 N ATOM 363 CA LEU A 88 14.157 -1.399 -6.005 1.00 1.00 C ATOM 364 C LEU A 88 13.009 -0.799 -5.192 1.00 1.00 C ATOM 365 O LEU A 88 12.427 0.211 -5.584 1.00 1.00 O ATOM 366 CB LEU A 88 15.351 -0.456 -6.172 1.00 1.00 C ATOM 367 CG LEU A 88 16.365 -0.449 -5.027 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.513 0.520 -5.316 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.682 -0.147 -3.691 1.00 1.00 C ATOM 0 H LEU A 88 13.223 -1.081 -7.854 1.00 1.00 H new ATOM 0 HA LEU A 88 14.532 -2.255 -5.444 1.00 1.00 H new ATOM 0 HB2 LEU A 88 15.873 -0.722 -7.091 1.00 1.00 H new ATOM 0 HB3 LEU A 88 14.973 0.558 -6.302 1.00 1.00 H new ATOM 0 HG LEU A 88 16.798 -1.446 -4.949 1.00 1.00 H new ATOM 0 HD11 LEU A 88 18.219 0.505 -4.486 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.022 0.218 -6.231 1.00 1.00 H new ATOM 0 HD13 LEU A 88 17.116 1.528 -5.437 1.00 1.00 H new ATOM 0 HD21 LEU A 88 16.425 -0.148 -2.894 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.204 0.831 -3.740 1.00 1.00 H new ATOM 0 HD23 LEU A 88 14.930 -0.909 -3.487 1.00 1.00 H new ATOM 381 N ARG A 89 12.717 -1.446 -4.073 1.00 1.00 N ATOM 382 CA ARG A 89 11.649 -0.989 -3.200 1.00 1.00 C ATOM 383 C ARG A 89 12.118 -0.985 -1.744 1.00 1.00 C ATOM 384 O ARG A 89 12.824 -1.895 -1.313 1.00 1.00 O ATOM 385 CB ARG A 89 10.413 -1.882 -3.328 1.00 1.00 C ATOM 386 CG ARG A 89 10.252 -2.392 -4.761 1.00 1.00 C ATOM 387 CD ARG A 89 8.776 -2.460 -5.157 1.00 1.00 C ATOM 388 NE ARG A 89 8.648 -2.523 -6.630 1.00 1.00 N ATOM 389 CZ ARG A 89 8.703 -3.657 -7.341 1.00 1.00 C ATOM 390 NH1 ARG A 89 8.884 -4.830 -6.719 1.00 1.00 N ATOM 391 NH2 ARG A 89 8.578 -3.618 -8.675 1.00 1.00 N ATOM 0 H ARG A 89 13.202 -2.284 -3.751 1.00 1.00 H new ATOM 0 HA ARG A 89 11.384 0.024 -3.503 1.00 1.00 H new ATOM 0 HB2 ARG A 89 10.498 -2.727 -2.645 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.524 -1.323 -3.035 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.786 -1.734 -5.447 1.00 1.00 H new ATOM 0 HG3 ARG A 89 10.702 -3.381 -4.852 1.00 1.00 H new ATOM 0 HD2 ARG A 89 8.310 -3.336 -4.706 1.00 1.00 H new ATOM 0 HD3 ARG A 89 8.248 -1.586 -4.775 1.00 1.00 H new ATOM 0 HE ARG A 89 8.509 -1.648 -7.136 1.00 1.00 H new ATOM 0 HH11 ARG A 89 8.980 -4.860 -5.704 1.00 1.00 H new ATOM 0 HH12 ARG A 89 8.926 -5.693 -7.261 1.00 1.00 H new ATOM 0 HH21 ARG A 89 8.441 -2.725 -9.149 1.00 1.00 H new ATOM 0 HH22 ARG A 89 8.620 -4.481 -9.217 1.00 1.00 H new ATOM 405 N VAL A 90 11.708 0.051 -1.026 1.00 1.00 N ATOM 406 CA VAL A 90 12.077 0.185 0.372 1.00 1.00 C ATOM 407 C VAL A 90 11.361 -0.892 1.190 1.00 1.00 C ATOM 408 O VAL A 90 10.135 -0.986 1.161 1.00 1.00 O ATOM 409 CB VAL A 90 11.776 1.604 0.859 1.00 1.00 C ATOM 410 CG1 VAL A 90 11.935 1.709 2.377 1.00 1.00 C ATOM 411 CG2 VAL A 90 12.660 2.628 0.143 1.00 1.00 C ATOM 0 H VAL A 90 11.124 0.805 -1.387 1.00 1.00 H new ATOM 0 HA VAL A 90 13.149 0.032 0.500 1.00 1.00 H new ATOM 0 HB VAL A 90 10.738 1.828 0.615 1.00 1.00 H new ATOM 0 HG11 VAL A 90 11.715 2.728 2.696 1.00 1.00 H new ATOM 0 HG12 VAL A 90 11.245 1.019 2.864 1.00 1.00 H new ATOM 0 HG13 VAL A 90 12.958 1.455 2.654 1.00 1.00 H new ATOM 0 HG21 VAL A 90 12.426 3.628 0.507 1.00 1.00 H new ATOM 0 HG22 VAL A 90 13.708 2.405 0.341 1.00 1.00 H new ATOM 0 HG23 VAL A 90 12.476 2.580 -0.930 1.00 1.00 H new ATOM 421 N LEU A 91 12.158 -1.677 1.901 1.00 1.00 N ATOM 422 CA LEU A 91 11.616 -2.743 2.726 1.00 1.00 C ATOM 423 C LEU A 91 11.681 -2.328 4.197 1.00 1.00 C ATOM 424 O LEU A 91 10.851 -2.748 5.002 1.00 1.00 O ATOM 425 CB LEU A 91 12.326 -4.065 2.427 1.00 1.00 C ATOM 426 CG LEU A 91 11.493 -5.126 1.706 1.00 1.00 C ATOM 427 CD1 LEU A 91 12.380 -6.261 1.189 1.00 1.00 C ATOM 428 CD2 LEU A 91 10.367 -5.643 2.603 1.00 1.00 C ATOM 0 H LEU A 91 13.175 -1.596 1.922 1.00 1.00 H new ATOM 0 HA LEU A 91 10.565 -2.911 2.489 1.00 1.00 H new ATOM 0 HB2 LEU A 91 13.208 -3.852 1.823 1.00 1.00 H new ATOM 0 HB3 LEU A 91 12.678 -4.486 3.369 1.00 1.00 H new ATOM 0 HG LEU A 91 11.025 -4.661 0.838 1.00 1.00 H new ATOM 0 HD11 LEU A 91 11.763 -7.002 0.680 1.00 1.00 H new ATOM 0 HD12 LEU A 91 13.115 -5.860 0.491 1.00 1.00 H new ATOM 0 HD13 LEU A 91 12.895 -6.731 2.027 1.00 1.00 H new ATOM 0 HD21 LEU A 91 9.790 -6.396 2.066 1.00 1.00 H new ATOM 0 HD22 LEU A 91 10.793 -6.086 3.503 1.00 1.00 H new ATOM 0 HD23 LEU A 91 9.714 -4.816 2.880 1.00 1.00 H new ATOM 440 N GLY A 92 12.676 -1.509 4.504 1.00 1.00 N ATOM 441 CA GLY A 92 12.861 -1.032 5.864 1.00 1.00 C ATOM 442 C GLY A 92 13.020 0.489 5.895 1.00 1.00 C ATOM 443 O GLY A 92 13.397 1.098 4.895 1.00 1.00 O ATOM 0 H GLY A 92 13.363 -1.163 3.834 1.00 1.00 H new ATOM 0 HA2 GLY A 92 12.007 -1.324 6.475 1.00 1.00 H new ATOM 0 HA3 GLY A 92 13.742 -1.502 6.301 1.00 1.00 H new ATOM 447 N TYR A 93 12.725 1.059 7.054 1.00 1.00 N ATOM 448 CA TYR A 93 12.830 2.498 7.229 1.00 1.00 C ATOM 449 C TYR A 93 13.363 2.844 8.620 1.00 1.00 C ATOM 450 O TYR A 93 13.097 2.130 9.586 1.00 1.00 O ATOM 451 CB TYR A 93 11.408 3.045 7.090 1.00 1.00 C ATOM 452 CG TYR A 93 11.143 3.763 5.766 1.00 1.00 C ATOM 453 CD1 TYR A 93 11.592 5.054 5.579 1.00 1.00 C ATOM 454 CD2 TYR A 93 10.455 3.119 4.757 1.00 1.00 C ATOM 455 CE1 TYR A 93 11.343 5.730 4.332 1.00 1.00 C ATOM 456 CE2 TYR A 93 10.206 3.795 3.510 1.00 1.00 C ATOM 457 CZ TYR A 93 10.662 5.067 3.359 1.00 1.00 C ATOM 458 OH TYR A 93 10.427 5.706 2.182 1.00 1.00 O ATOM 0 H TYR A 93 12.413 0.550 7.881 1.00 1.00 H new ATOM 0 HA TYR A 93 13.515 2.924 6.496 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.702 2.221 7.192 1.00 1.00 H new ATOM 0 HB3 TYR A 93 11.214 3.735 7.911 1.00 1.00 H new ATOM 0 HD1 TYR A 93 12.130 5.558 6.368 1.00 1.00 H new ATOM 0 HD2 TYR A 93 10.104 2.108 4.903 1.00 1.00 H new ATOM 0 HE1 TYR A 93 11.689 6.741 4.173 1.00 1.00 H new ATOM 0 HE2 TYR A 93 9.669 3.303 2.713 1.00 1.00 H new ATOM 0 HH TYR A 93 11.182 6.294 1.973 1.00 1.00 H new ATOM 468 N ASN A 94 14.106 3.939 8.679 1.00 1.00 N ATOM 469 CA ASN A 94 14.680 4.388 9.936 1.00 1.00 C ATOM 470 C ASN A 94 13.566 4.927 10.836 1.00 1.00 C ATOM 471 O ASN A 94 12.418 4.495 10.736 1.00 1.00 O ATOM 472 CB ASN A 94 15.691 5.514 9.710 1.00 1.00 C ATOM 473 CG ASN A 94 14.985 6.815 9.322 1.00 1.00 C ATOM 474 OD1 ASN A 94 14.684 7.659 10.150 1.00 1.00 O ATOM 475 ND2 ASN A 94 14.738 6.929 8.020 1.00 1.00 N ATOM 0 H ASN A 94 14.324 4.529 7.876 1.00 1.00 H new ATOM 0 HA ASN A 94 15.184 3.539 10.399 1.00 1.00 H new ATOM 0 HB2 ASN A 94 16.276 5.670 10.617 1.00 1.00 H new ATOM 0 HB3 ASN A 94 16.390 5.227 8.925 1.00 1.00 H new ATOM 0 HD21 ASN A 94 14.270 7.761 7.661 1.00 1.00 H new ATOM 0 HD22 ASN A 94 15.017 6.185 7.381 1.00 1.00 H new ATOM 482 N HIS A 95 13.943 5.862 11.695 1.00 1.00 N ATOM 483 CA HIS A 95 12.990 6.465 12.612 1.00 1.00 C ATOM 484 C HIS A 95 12.951 7.978 12.391 1.00 1.00 C ATOM 485 O HIS A 95 11.876 8.566 12.286 1.00 1.00 O ATOM 486 CB HIS A 95 13.314 6.085 14.058 1.00 1.00 C ATOM 487 CG HIS A 95 12.208 6.399 15.038 1.00 1.00 C ATOM 488 ND1 HIS A 95 12.363 6.279 16.407 1.00 1.00 N ATOM 489 CD2 HIS A 95 10.930 6.828 14.831 1.00 1.00 C ATOM 490 CE1 HIS A 95 11.224 6.623 16.989 1.00 1.00 C ATOM 491 NE2 HIS A 95 10.337 6.963 16.011 1.00 1.00 N ATOM 0 H HIS A 95 14.896 6.217 11.776 1.00 1.00 H new ATOM 0 HA HIS A 95 11.991 6.078 12.410 1.00 1.00 H new ATOM 0 HB2 HIS A 95 13.533 5.018 14.102 1.00 1.00 H new ATOM 0 HB3 HIS A 95 14.219 6.609 14.367 1.00 1.00 H new ATOM 0 HD2 HIS A 95 10.477 7.024 13.870 1.00 1.00 H new ATOM 0 HE1 HIS A 95 11.032 6.632 18.052 1.00 1.00 H new ATOM 0 HE2 HIS A 95 9.376 7.270 16.161 1.00 1.00 H new ATOM 499 N ASN A 96 14.137 8.565 12.325 1.00 1.00 N ATOM 500 CA ASN A 96 14.252 9.999 12.118 1.00 1.00 C ATOM 501 C ASN A 96 14.183 10.300 10.620 1.00 1.00 C ATOM 502 O ASN A 96 14.976 11.086 10.104 1.00 1.00 O ATOM 503 CB ASN A 96 15.588 10.526 12.645 1.00 1.00 C ATOM 504 CG ASN A 96 15.847 10.036 14.072 1.00 1.00 C ATOM 505 OD1 ASN A 96 15.149 10.382 15.010 1.00 1.00 O ATOM 506 ND2 ASN A 96 16.887 9.214 14.181 1.00 1.00 N ATOM 0 H ASN A 96 15.027 8.074 12.411 1.00 1.00 H new ATOM 0 HA ASN A 96 13.436 10.484 12.654 1.00 1.00 H new ATOM 0 HB2 ASN A 96 16.396 10.197 11.992 1.00 1.00 H new ATOM 0 HB3 ASN A 96 15.586 11.616 12.626 1.00 1.00 H new ATOM 0 HD21 ASN A 96 17.142 8.832 15.092 1.00 1.00 H new ATOM 0 HD22 ASN A 96 17.429 8.965 13.354 1.00 1.00 H new ATOM 513 N GLY A 97 13.227 9.660 9.964 1.00 1.00 N ATOM 514 CA GLY A 97 13.044 9.850 8.535 1.00 1.00 C ATOM 515 C GLY A 97 14.307 10.425 7.891 1.00 1.00 C ATOM 516 O GLY A 97 14.261 11.478 7.257 1.00 1.00 O ATOM 0 H GLY A 97 12.571 9.009 10.395 1.00 1.00 H new ATOM 0 HA2 GLY A 97 12.794 8.898 8.067 1.00 1.00 H new ATOM 0 HA3 GLY A 97 12.204 10.522 8.359 1.00 1.00 H new ATOM 520 N GLU A 98 15.406 9.708 8.078 1.00 1.00 N ATOM 521 CA GLU A 98 16.680 10.134 7.523 1.00 1.00 C ATOM 522 C GLU A 98 17.052 9.265 6.320 1.00 1.00 C ATOM 523 O GLU A 98 17.222 9.772 5.213 1.00 1.00 O ATOM 524 CB GLU A 98 17.779 10.099 8.587 1.00 1.00 C ATOM 525 CG GLU A 98 18.106 11.508 9.085 1.00 1.00 C ATOM 526 CD GLU A 98 19.135 12.186 8.179 1.00 1.00 C ATOM 527 OE1 GLU A 98 18.710 12.696 7.120 1.00 1.00 O ATOM 528 OE2 GLU A 98 20.324 12.178 8.565 1.00 1.00 O ATOM 0 H GLU A 98 15.440 8.836 8.606 1.00 1.00 H new ATOM 0 HA GLU A 98 16.581 11.165 7.184 1.00 1.00 H new ATOM 0 HB2 GLU A 98 17.460 9.479 9.424 1.00 1.00 H new ATOM 0 HB3 GLU A 98 18.676 9.639 8.173 1.00 1.00 H new ATOM 0 HG2 GLU A 98 17.195 12.106 9.118 1.00 1.00 H new ATOM 0 HG3 GLU A 98 18.491 11.457 10.104 1.00 1.00 H new ATOM 535 N TRP A 99 17.169 7.971 6.579 1.00 1.00 N ATOM 536 CA TRP A 99 17.518 7.027 5.531 1.00 1.00 C ATOM 537 C TRP A 99 16.622 5.797 5.685 1.00 1.00 C ATOM 538 O TRP A 99 16.148 5.503 6.781 1.00 1.00 O ATOM 539 CB TRP A 99 19.010 6.688 5.574 1.00 1.00 C ATOM 540 CG TRP A 99 19.909 7.755 4.945 1.00 1.00 C ATOM 541 CD1 TRP A 99 19.997 9.053 5.266 1.00 1.00 C ATOM 542 CD2 TRP A 99 20.849 7.561 3.868 1.00 1.00 C ATOM 543 NE1 TRP A 99 20.921 9.707 4.477 1.00 1.00 N ATOM 544 CE2 TRP A 99 21.456 8.771 3.600 1.00 1.00 C ATOM 545 CE3 TRP A 99 21.176 6.401 3.143 1.00 1.00 C ATOM 546 CZ2 TRP A 99 22.427 8.938 2.605 1.00 1.00 C ATOM 547 CZ3 TRP A 99 22.148 6.585 2.152 1.00 1.00 C ATOM 548 CH2 TRP A 99 22.768 7.796 1.870 1.00 1.00 C ATOM 0 H TRP A 99 17.028 7.554 7.499 1.00 1.00 H new ATOM 0 HA TRP A 99 17.346 7.462 4.547 1.00 1.00 H new ATOM 0 HB2 TRP A 99 19.309 6.541 6.612 1.00 1.00 H new ATOM 0 HB3 TRP A 99 19.172 5.741 5.059 1.00 1.00 H new ATOM 0 HD1 TRP A 99 19.418 9.528 6.044 1.00 1.00 H new ATOM 0 HE1 TRP A 99 21.166 10.696 4.528 1.00 1.00 H new ATOM 0 HE3 TRP A 99 20.714 5.444 3.335 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 22.888 9.896 2.415 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 22.436 5.725 1.566 1.00 1.00 H new ATOM 0 HH2 TRP A 99 23.510 7.856 1.087 1.00 1.00 H new ATOM 559 N CYS A 100 16.415 5.111 4.570 1.00 1.00 N ATOM 560 CA CYS A 100 15.583 3.920 4.567 1.00 1.00 C ATOM 561 C CYS A 100 16.423 2.750 4.050 1.00 1.00 C ATOM 562 O CYS A 100 17.207 2.908 3.116 1.00 1.00 O ATOM 563 CB CYS A 100 14.312 4.120 3.739 1.00 1.00 C ATOM 564 SG CYS A 100 14.663 5.199 2.303 1.00 1.00 S ATOM 0 H CYS A 100 16.809 5.358 3.662 1.00 1.00 H new ATOM 0 HA CYS A 100 15.247 3.705 5.581 1.00 1.00 H new ATOM 0 HB2 CYS A 100 13.936 3.156 3.397 1.00 1.00 H new ATOM 0 HB3 CYS A 100 13.532 4.565 4.357 1.00 1.00 H new ATOM 0 HG CYS A 100 15.905 5.057 1.947 1.00 1.00 H new ATOM 570 N GLU A 101 16.229 1.600 4.680 1.00 1.00 N ATOM 571 CA GLU A 101 16.958 0.404 4.296 1.00 1.00 C ATOM 572 C GLU A 101 16.266 -0.284 3.117 1.00 1.00 C ATOM 573 O GLU A 101 15.042 -0.403 3.095 1.00 1.00 O ATOM 574 CB GLU A 101 17.104 -0.553 5.481 1.00 1.00 C ATOM 575 CG GLU A 101 18.370 -1.401 5.347 1.00 1.00 C ATOM 576 CD GLU A 101 18.313 -2.621 6.269 1.00 1.00 C ATOM 577 OE1 GLU A 101 17.825 -2.450 7.407 1.00 1.00 O ATOM 578 OE2 GLU A 101 18.758 -3.697 5.815 1.00 1.00 O ATOM 0 H GLU A 101 15.577 1.472 5.454 1.00 1.00 H new ATOM 0 HA GLU A 101 17.960 0.697 3.983 1.00 1.00 H new ATOM 0 HB2 GLU A 101 17.139 0.016 6.410 1.00 1.00 H new ATOM 0 HB3 GLU A 101 16.231 -1.203 5.538 1.00 1.00 H new ATOM 0 HG2 GLU A 101 18.486 -1.727 4.313 1.00 1.00 H new ATOM 0 HG3 GLU A 101 19.244 -0.797 5.591 1.00 1.00 H new ATOM 585 N ALA A 102 17.080 -0.718 2.166 1.00 1.00 N ATOM 586 CA ALA A 102 16.561 -1.390 0.987 1.00 1.00 C ATOM 587 C ALA A 102 17.371 -2.664 0.734 1.00 1.00 C ATOM 588 O ALA A 102 18.487 -2.803 1.231 1.00 1.00 O ATOM 589 CB ALA A 102 16.596 -0.431 -0.205 1.00 1.00 C ATOM 0 H ALA A 102 18.095 -0.617 2.188 1.00 1.00 H new ATOM 0 HA ALA A 102 15.522 -1.684 1.139 1.00 1.00 H new ATOM 0 HB1 ALA A 102 16.207 -0.935 -1.089 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.983 0.443 0.013 1.00 1.00 H new ATOM 0 HB3 ALA A 102 17.623 -0.117 -0.389 1.00 1.00 H new ATOM 595 N GLN A 103 16.776 -3.562 -0.038 1.00 1.00 N ATOM 596 CA GLN A 103 17.427 -4.819 -0.362 1.00 1.00 C ATOM 597 C GLN A 103 17.533 -4.986 -1.880 1.00 1.00 C ATOM 598 O GLN A 103 16.694 -4.481 -2.623 1.00 1.00 O ATOM 599 CB GLN A 103 16.686 -5.999 0.269 1.00 1.00 C ATOM 600 CG GLN A 103 17.176 -7.328 -0.312 1.00 1.00 C ATOM 601 CD GLN A 103 16.334 -8.496 0.205 1.00 1.00 C ATOM 602 OE1 GLN A 103 16.699 -9.194 1.136 1.00 1.00 O ATOM 603 NE2 GLN A 103 15.189 -8.668 -0.449 1.00 1.00 N ATOM 0 H GLN A 103 15.850 -3.443 -0.448 1.00 1.00 H new ATOM 0 HA GLN A 103 18.435 -4.802 0.053 1.00 1.00 H new ATOM 0 HB2 GLN A 103 16.837 -5.992 1.349 1.00 1.00 H new ATOM 0 HB3 GLN A 103 15.615 -5.895 0.096 1.00 1.00 H new ATOM 0 HG2 GLN A 103 17.127 -7.293 -1.400 1.00 1.00 H new ATOM 0 HG3 GLN A 103 18.221 -7.482 -0.045 1.00 1.00 H new ATOM 0 HE21 GLN A 103 14.944 -8.047 -1.220 1.00 1.00 H new ATOM 0 HE22 GLN A 103 14.556 -9.421 -0.179 1.00 1.00 H new ATOM 612 N THR A 104 18.573 -5.696 -2.294 1.00 1.00 N ATOM 613 CA THR A 104 18.799 -5.935 -3.709 1.00 1.00 C ATOM 614 C THR A 104 18.419 -7.371 -4.074 1.00 1.00 C ATOM 615 O THR A 104 18.332 -8.235 -3.203 1.00 1.00 O ATOM 616 CB THR A 104 20.258 -5.596 -4.018 1.00 1.00 C ATOM 617 OG1 THR A 104 20.281 -4.172 -4.069 1.00 1.00 O ATOM 618 CG2 THR A 104 20.674 -6.026 -5.426 1.00 1.00 C ATOM 0 H THR A 104 19.268 -6.113 -1.674 1.00 1.00 H new ATOM 0 HA THR A 104 18.164 -5.297 -4.324 1.00 1.00 H new ATOM 0 HB THR A 104 20.905 -6.078 -3.285 1.00 1.00 H new ATOM 0 HG1 THR A 104 20.699 -3.881 -4.906 1.00 1.00 H new ATOM 0 HG21 THR A 104 21.718 -5.762 -5.593 1.00 1.00 H new ATOM 0 HG22 THR A 104 20.551 -7.104 -5.528 1.00 1.00 H new ATOM 0 HG23 THR A 104 20.049 -5.519 -6.161 1.00 1.00 H new ATOM 626 N LYS A 105 18.201 -7.582 -5.364 1.00 1.00 N ATOM 627 CA LYS A 105 17.832 -8.898 -5.856 1.00 1.00 C ATOM 628 C LYS A 105 18.632 -9.962 -5.102 1.00 1.00 C ATOM 629 O LYS A 105 18.059 -10.895 -4.541 1.00 1.00 O ATOM 630 CB LYS A 105 17.994 -8.968 -7.375 1.00 1.00 C ATOM 631 CG LYS A 105 17.660 -10.366 -7.899 1.00 1.00 C ATOM 632 CD LYS A 105 16.405 -10.338 -8.774 1.00 1.00 C ATOM 633 CE LYS A 105 16.463 -11.424 -9.850 1.00 1.00 C ATOM 634 NZ LYS A 105 16.447 -12.768 -9.231 1.00 1.00 N ATOM 0 H LYS A 105 18.273 -6.863 -6.084 1.00 1.00 H new ATOM 0 HA LYS A 105 16.777 -9.095 -5.663 1.00 1.00 H new ATOM 0 HB2 LYS A 105 17.342 -8.233 -7.848 1.00 1.00 H new ATOM 0 HB3 LYS A 105 19.017 -8.709 -7.647 1.00 1.00 H new ATOM 0 HG2 LYS A 105 18.501 -10.753 -8.475 1.00 1.00 H new ATOM 0 HG3 LYS A 105 17.508 -11.046 -7.061 1.00 1.00 H new ATOM 0 HD2 LYS A 105 15.521 -10.483 -8.153 1.00 1.00 H new ATOM 0 HD3 LYS A 105 16.307 -9.360 -9.244 1.00 1.00 H new ATOM 0 HE2 LYS A 105 15.615 -11.319 -10.527 1.00 1.00 H new ATOM 0 HE3 LYS A 105 17.366 -11.303 -10.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 16.367 -13.491 -9.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 17.328 -12.915 -8.698 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 15.635 -12.843 -8.586 1.00 1.00 H new ATOM 648 N ASN A 106 19.946 -9.787 -5.114 1.00 1.00 N ATOM 649 CA ASN A 106 20.831 -10.721 -4.438 1.00 1.00 C ATOM 650 C ASN A 106 21.864 -9.939 -3.624 1.00 1.00 C ATOM 651 O ASN A 106 23.067 -10.134 -3.791 1.00 1.00 O ATOM 652 CB ASN A 106 21.584 -11.593 -5.445 1.00 1.00 C ATOM 653 CG ASN A 106 20.789 -12.857 -5.778 1.00 1.00 C ATOM 654 OD1 ASN A 106 21.039 -13.933 -5.260 1.00 1.00 O ATOM 655 ND2 ASN A 106 19.820 -12.668 -6.669 1.00 1.00 N ATOM 0 H ASN A 106 20.419 -9.013 -5.581 1.00 1.00 H new ATOM 0 HA ASN A 106 20.223 -11.357 -3.794 1.00 1.00 H new ATOM 0 HB2 ASN A 106 21.769 -11.025 -6.357 1.00 1.00 H new ATOM 0 HB3 ASN A 106 22.557 -11.868 -5.038 1.00 1.00 H new ATOM 0 HD21 ASN A 106 19.233 -13.450 -6.957 1.00 1.00 H new ATOM 0 HD22 ASN A 106 19.664 -11.741 -7.064 1.00 1.00 H new ATOM 662 N GLY A 107 21.357 -9.072 -2.761 1.00 1.00 N ATOM 663 CA GLY A 107 22.221 -8.260 -1.921 1.00 1.00 C ATOM 664 C GLY A 107 21.399 -7.322 -1.034 1.00 1.00 C ATOM 665 O GLY A 107 20.170 -7.373 -1.042 1.00 1.00 O ATOM 0 H GLY A 107 20.359 -8.914 -2.625 1.00 1.00 H new ATOM 0 HA2 GLY A 107 22.840 -8.906 -1.298 1.00 1.00 H new ATOM 0 HA3 GLY A 107 22.897 -7.676 -2.546 1.00 1.00 H new ATOM 669 N GLN A 108 22.111 -6.489 -0.290 1.00 1.00 N ATOM 670 CA GLN A 108 21.464 -5.541 0.601 1.00 1.00 C ATOM 671 C GLN A 108 22.328 -4.288 0.763 1.00 1.00 C ATOM 672 O GLN A 108 23.411 -4.199 0.188 1.00 1.00 O ATOM 673 CB GLN A 108 21.165 -6.180 1.959 1.00 1.00 C ATOM 674 CG GLN A 108 19.658 -6.332 2.174 1.00 1.00 C ATOM 675 CD GLN A 108 19.329 -7.680 2.819 1.00 1.00 C ATOM 676 OE1 GLN A 108 20.194 -8.500 3.080 1.00 1.00 O ATOM 677 NE2 GLN A 108 18.034 -7.862 3.059 1.00 1.00 N ATOM 0 H GLN A 108 23.130 -6.451 -0.286 1.00 1.00 H new ATOM 0 HA GLN A 108 20.513 -5.247 0.157 1.00 1.00 H new ATOM 0 HB2 GLN A 108 21.645 -7.157 2.019 1.00 1.00 H new ATOM 0 HB3 GLN A 108 21.589 -5.567 2.754 1.00 1.00 H new ATOM 0 HG2 GLN A 108 19.294 -5.523 2.808 1.00 1.00 H new ATOM 0 HG3 GLN A 108 19.140 -6.246 1.219 1.00 1.00 H new ATOM 0 HE21 GLN A 108 17.363 -7.134 2.815 1.00 1.00 H new ATOM 0 HE22 GLN A 108 17.712 -8.730 3.487 1.00 1.00 H new ATOM 686 N GLY A 109 21.816 -3.353 1.549 1.00 1.00 N ATOM 687 CA GLY A 109 22.527 -2.109 1.793 1.00 1.00 C ATOM 688 C GLY A 109 21.558 -0.992 2.186 1.00 1.00 C ATOM 689 O GLY A 109 20.350 -1.210 2.260 1.00 1.00 O ATOM 0 H GLY A 109 20.917 -3.431 2.025 1.00 1.00 H new ATOM 0 HA2 GLY A 109 23.261 -2.255 2.586 1.00 1.00 H new ATOM 0 HA3 GLY A 109 23.078 -1.819 0.898 1.00 1.00 H new ATOM 693 N TRP A 110 22.125 0.181 2.427 1.00 1.00 N ATOM 694 CA TRP A 110 21.327 1.333 2.810 1.00 1.00 C ATOM 695 C TRP A 110 21.032 2.145 1.547 1.00 1.00 C ATOM 696 O TRP A 110 21.731 2.014 0.544 1.00 1.00 O ATOM 697 CB TRP A 110 22.031 2.151 3.895 1.00 1.00 C ATOM 698 CG TRP A 110 21.687 1.719 5.322 1.00 1.00 C ATOM 699 CD1 TRP A 110 22.281 0.774 6.064 1.00 1.00 C ATOM 700 CD2 TRP A 110 20.637 2.257 6.154 1.00 1.00 C ATOM 701 NE1 TRP A 110 21.694 0.664 7.308 1.00 1.00 N ATOM 702 CE2 TRP A 110 20.662 1.595 7.365 1.00 1.00 C ATOM 703 CE3 TRP A 110 19.698 3.270 5.892 1.00 1.00 C ATOM 704 CZ2 TRP A 110 19.772 1.872 8.409 1.00 1.00 C ATOM 705 CZ3 TRP A 110 18.815 3.535 6.946 1.00 1.00 C ATOM 706 CH2 TRP A 110 18.827 2.878 8.171 1.00 1.00 C ATOM 0 H TRP A 110 23.128 0.358 2.364 1.00 1.00 H new ATOM 0 HA TRP A 110 20.381 1.018 3.250 1.00 1.00 H new ATOM 0 HB2 TRP A 110 23.109 2.073 3.753 1.00 1.00 H new ATOM 0 HB3 TRP A 110 21.769 3.202 3.771 1.00 1.00 H new ATOM 0 HD1 TRP A 110 23.115 0.174 5.730 1.00 1.00 H new ATOM 0 HE1 TRP A 110 21.967 0.019 8.049 1.00 1.00 H new ATOM 0 HE3 TRP A 110 19.661 3.801 4.953 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 19.812 1.339 9.347 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 18.072 4.304 6.797 1.00 1.00 H new ATOM 0 HH2 TRP A 110 18.111 3.142 8.935 1.00 1.00 H new ATOM 717 N VAL A 111 19.995 2.964 1.638 1.00 1.00 N ATOM 718 CA VAL A 111 19.598 3.797 0.515 1.00 1.00 C ATOM 719 C VAL A 111 18.773 4.979 1.028 1.00 1.00 C ATOM 720 O VAL A 111 17.826 4.795 1.791 1.00 1.00 O ATOM 721 CB VAL A 111 18.854 2.955 -0.523 1.00 1.00 C ATOM 722 CG1 VAL A 111 17.422 2.664 -0.069 1.00 1.00 C ATOM 723 CG2 VAL A 111 18.868 3.636 -1.893 1.00 1.00 C ATOM 0 H VAL A 111 19.417 3.069 2.472 1.00 1.00 H new ATOM 0 HA VAL A 111 20.475 4.206 0.014 1.00 1.00 H new ATOM 0 HB VAL A 111 19.375 2.002 -0.617 1.00 1.00 H new ATOM 0 HG11 VAL A 111 16.915 2.064 -0.825 1.00 1.00 H new ATOM 0 HG12 VAL A 111 17.443 2.117 0.874 1.00 1.00 H new ATOM 0 HG13 VAL A 111 16.886 3.603 0.068 1.00 1.00 H new ATOM 0 HG21 VAL A 111 18.332 3.017 -2.613 1.00 1.00 H new ATOM 0 HG22 VAL A 111 18.383 4.610 -1.820 1.00 1.00 H new ATOM 0 HG23 VAL A 111 19.898 3.768 -2.223 1.00 1.00 H new ATOM 733 N PRO A 112 19.174 6.198 0.578 1.00 1.00 N ATOM 734 CA PRO A 112 18.482 7.410 0.983 1.00 1.00 C ATOM 735 C PRO A 112 17.141 7.544 0.259 1.00 1.00 C ATOM 736 O PRO A 112 17.019 7.165 -0.905 1.00 1.00 O ATOM 737 CB PRO A 112 19.447 8.540 0.661 1.00 1.00 C ATOM 738 CG PRO A 112 20.443 7.966 -0.334 1.00 1.00 C ATOM 739 CD PRO A 112 20.291 6.454 -0.326 1.00 1.00 C ATOM 0 HA PRO A 112 18.225 7.414 2.042 1.00 1.00 H new ATOM 0 HB2 PRO A 112 18.920 9.395 0.237 1.00 1.00 H new ATOM 0 HB3 PRO A 112 19.952 8.891 1.561 1.00 1.00 H new ATOM 0 HG2 PRO A 112 20.257 8.363 -1.332 1.00 1.00 H new ATOM 0 HG3 PRO A 112 21.460 8.249 -0.062 1.00 1.00 H new ATOM 0 HD2 PRO A 112 20.087 6.071 -1.326 1.00 1.00 H new ATOM 0 HD3 PRO A 112 21.202 5.966 0.022 1.00 1.00 H new ATOM 747 N SER A 113 16.168 8.085 0.978 1.00 1.00 N ATOM 748 CA SER A 113 14.841 8.274 0.419 1.00 1.00 C ATOM 749 C SER A 113 14.852 9.437 -0.575 1.00 1.00 C ATOM 750 O SER A 113 13.886 9.642 -1.308 1.00 1.00 O ATOM 751 CB SER A 113 13.810 8.527 1.520 1.00 1.00 C ATOM 752 OG SER A 113 12.786 7.536 1.532 1.00 1.00 O ATOM 0 H SER A 113 16.273 8.398 1.943 1.00 1.00 H new ATOM 0 HA SER A 113 14.558 7.360 -0.104 1.00 1.00 H new ATOM 0 HB2 SER A 113 14.310 8.543 2.488 1.00 1.00 H new ATOM 0 HB3 SER A 113 13.361 9.510 1.377 1.00 1.00 H new ATOM 0 HG SER A 113 13.175 6.667 1.763 1.00 1.00 H new ATOM 758 N ASN A 114 15.957 10.169 -0.568 1.00 1.00 N ATOM 759 CA ASN A 114 16.107 11.307 -1.459 1.00 1.00 C ATOM 760 C ASN A 114 16.280 10.805 -2.894 1.00 1.00 C ATOM 761 O ASN A 114 15.921 11.497 -3.845 1.00 1.00 O ATOM 762 CB ASN A 114 17.342 12.133 -1.095 1.00 1.00 C ATOM 763 CG ASN A 114 16.978 13.606 -0.901 1.00 1.00 C ATOM 764 OD1 ASN A 114 17.316 14.466 -1.697 1.00 1.00 O ATOM 765 ND2 ASN A 114 16.272 13.848 0.200 1.00 1.00 N ATOM 0 H ASN A 114 16.757 9.996 0.041 1.00 1.00 H new ATOM 0 HA ASN A 114 15.217 11.929 -1.365 1.00 1.00 H new ATOM 0 HB2 ASN A 114 17.789 11.742 -0.181 1.00 1.00 H new ATOM 0 HB3 ASN A 114 18.091 12.040 -1.882 1.00 1.00 H new ATOM 0 HD21 ASN A 114 15.980 14.800 0.420 1.00 1.00 H new ATOM 0 HD22 ASN A 114 16.022 13.081 0.824 1.00 1.00 H new ATOM 772 N TYR A 115 16.830 9.604 -3.005 1.00 1.00 N ATOM 773 CA TYR A 115 17.055 9.002 -4.308 1.00 1.00 C ATOM 774 C TYR A 115 16.001 7.933 -4.607 1.00 1.00 C ATOM 775 O TYR A 115 16.051 7.282 -5.649 1.00 1.00 O ATOM 776 CB TYR A 115 18.431 8.338 -4.234 1.00 1.00 C ATOM 777 CG TYR A 115 19.601 9.312 -4.387 1.00 1.00 C ATOM 778 CD1 TYR A 115 19.761 10.345 -3.486 1.00 1.00 C ATOM 779 CD2 TYR A 115 20.496 9.158 -5.426 1.00 1.00 C ATOM 780 CE1 TYR A 115 20.862 11.262 -3.630 1.00 1.00 C ATOM 781 CE2 TYR A 115 21.597 10.075 -5.571 1.00 1.00 C ATOM 782 CZ TYR A 115 21.726 11.082 -4.665 1.00 1.00 C ATOM 783 OH TYR A 115 22.765 11.948 -4.801 1.00 1.00 O ATOM 0 H TYR A 115 17.126 9.032 -2.214 1.00 1.00 H new ATOM 0 HA TYR A 115 16.996 9.755 -5.094 1.00 1.00 H new ATOM 0 HB2 TYR A 115 18.523 7.823 -3.278 1.00 1.00 H new ATOM 0 HB3 TYR A 115 18.499 7.579 -5.013 1.00 1.00 H new ATOM 0 HD1 TYR A 115 19.061 10.466 -2.673 1.00 1.00 H new ATOM 0 HD2 TYR A 115 20.371 8.349 -6.131 1.00 1.00 H new ATOM 0 HE1 TYR A 115 20.999 12.075 -2.932 1.00 1.00 H new ATOM 0 HE2 TYR A 115 22.304 9.966 -6.380 1.00 1.00 H new ATOM 0 HH TYR A 115 23.300 11.697 -5.583 1.00 1.00 H new ATOM 793 N ILE A 116 15.073 7.786 -3.674 1.00 1.00 N ATOM 794 CA ILE A 116 14.009 6.807 -3.824 1.00 1.00 C ATOM 795 C ILE A 116 12.656 7.498 -3.641 1.00 1.00 C ATOM 796 O ILE A 116 12.542 8.454 -2.876 1.00 1.00 O ATOM 797 CB ILE A 116 14.230 5.626 -2.876 1.00 1.00 C ATOM 798 CG1 ILE A 116 15.668 5.112 -2.967 1.00 1.00 C ATOM 799 CG2 ILE A 116 13.208 4.517 -3.135 1.00 1.00 C ATOM 800 CD1 ILE A 116 15.876 4.285 -4.236 1.00 1.00 C ATOM 0 H ILE A 116 15.035 8.328 -2.811 1.00 1.00 H new ATOM 0 HA ILE A 116 14.018 6.385 -4.829 1.00 1.00 H new ATOM 0 HB ILE A 116 14.076 5.974 -1.855 1.00 1.00 H new ATOM 0 HG12 ILE A 116 16.360 5.954 -2.960 1.00 1.00 H new ATOM 0 HG13 ILE A 116 15.897 4.504 -2.091 1.00 1.00 H new ATOM 0 HG21 ILE A 116 13.387 3.690 -2.448 1.00 1.00 H new ATOM 0 HG22 ILE A 116 12.202 4.906 -2.980 1.00 1.00 H new ATOM 0 HG23 ILE A 116 13.306 4.164 -4.162 1.00 1.00 H new ATOM 0 HD11 ILE A 116 16.907 3.932 -4.275 1.00 1.00 H new ATOM 0 HD12 ILE A 116 15.200 3.430 -4.228 1.00 1.00 H new ATOM 0 HD13 ILE A 116 15.670 4.902 -5.110 1.00 1.00 H new ATOM 812 N THR A 117 11.665 6.987 -4.357 1.00 1.00 N ATOM 813 CA THR A 117 10.325 7.543 -4.283 1.00 1.00 C ATOM 814 C THR A 117 9.298 6.431 -4.057 1.00 1.00 C ATOM 815 O THR A 117 9.552 5.272 -4.380 1.00 1.00 O ATOM 816 CB THR A 117 10.077 8.349 -5.560 1.00 1.00 C ATOM 817 OG1 THR A 117 8.685 8.176 -5.814 1.00 1.00 O ATOM 818 CG2 THR A 117 10.759 7.733 -6.783 1.00 1.00 C ATOM 0 H THR A 117 11.764 6.194 -4.991 1.00 1.00 H new ATOM 0 HA THR A 117 10.222 8.216 -3.431 1.00 1.00 H new ATOM 0 HB THR A 117 10.435 9.369 -5.421 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.437 8.667 -6.625 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.551 8.344 -7.662 1.00 1.00 H new ATOM 0 HG22 THR A 117 11.835 7.691 -6.617 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.377 6.725 -6.943 1.00 1.00 H new ATOM 826 N PRO A 118 8.130 6.834 -3.489 1.00 1.00 N ATOM 827 CA PRO A 118 7.064 5.886 -3.216 1.00 1.00 C ATOM 828 C PRO A 118 6.341 5.488 -4.505 1.00 1.00 C ATOM 829 O PRO A 118 6.693 5.953 -5.588 1.00 1.00 O ATOM 830 CB PRO A 118 6.158 6.589 -2.219 1.00 1.00 C ATOM 831 CG PRO A 118 6.490 8.068 -2.325 1.00 1.00 C ATOM 832 CD PRO A 118 7.795 8.199 -3.094 1.00 1.00 C ATOM 0 HA PRO A 118 7.432 4.946 -2.805 1.00 1.00 H new ATOM 0 HB2 PRO A 118 5.108 6.407 -2.449 1.00 1.00 H new ATOM 0 HB3 PRO A 118 6.331 6.221 -1.208 1.00 1.00 H new ATOM 0 HG2 PRO A 118 5.690 8.603 -2.837 1.00 1.00 H new ATOM 0 HG3 PRO A 118 6.585 8.510 -1.333 1.00 1.00 H new ATOM 0 HD2 PRO A 118 7.679 8.846 -3.964 1.00 1.00 H new ATOM 0 HD3 PRO A 118 8.578 8.636 -2.474 1.00 1.00 H new ATOM 840 N VAL A 119 5.342 4.633 -4.345 1.00 1.00 N ATOM 841 CA VAL A 119 4.566 4.167 -5.482 1.00 1.00 C ATOM 842 C VAL A 119 3.729 5.325 -6.031 1.00 1.00 C ATOM 843 O VAL A 119 4.252 6.203 -6.714 1.00 1.00 O ATOM 844 CB VAL A 119 3.720 2.957 -5.078 1.00 1.00 C ATOM 845 CG1 VAL A 119 3.036 3.192 -3.730 1.00 1.00 C ATOM 846 CG2 VAL A 119 2.696 2.618 -6.162 1.00 1.00 C ATOM 0 H VAL A 119 5.052 4.251 -3.445 1.00 1.00 H new ATOM 0 HA VAL A 119 5.225 3.833 -6.283 1.00 1.00 H new ATOM 0 HB VAL A 119 4.387 2.102 -4.970 1.00 1.00 H new ATOM 0 HG11 VAL A 119 2.441 2.317 -3.466 1.00 1.00 H new ATOM 0 HG12 VAL A 119 3.792 3.362 -2.963 1.00 1.00 H new ATOM 0 HG13 VAL A 119 2.387 4.065 -3.799 1.00 1.00 H new ATOM 0 HG21 VAL A 119 2.108 1.755 -5.850 1.00 1.00 H new ATOM 0 HG22 VAL A 119 2.035 3.470 -6.317 1.00 1.00 H new ATOM 0 HG23 VAL A 119 3.214 2.387 -7.093 1.00 1.00 H new ATOM 856 N SER A 120 2.444 5.288 -5.711 1.00 1.00 N ATOM 857 CA SER A 120 1.530 6.323 -6.163 1.00 1.00 C ATOM 858 C SER A 120 0.526 6.654 -5.058 1.00 1.00 C ATOM 859 O SER A 120 0.181 5.718 -4.305 1.00 1.00 O ATOM 860 CB SER A 120 0.797 5.892 -7.435 1.00 1.00 C ATOM 861 OG SER A 120 0.273 4.571 -7.328 1.00 1.00 O ATOM 862 OXT SER A 120 0.090 7.798 -4.933 1.00 1.00 O ATOM 0 H SER A 120 2.014 4.557 -5.144 1.00 1.00 H new ATOM 0 HA SER A 120 2.111 7.215 -6.395 1.00 1.00 H new ATOM 0 HB2 SER A 120 -0.016 6.589 -7.639 1.00 1.00 H new ATOM 0 HB3 SER A 120 1.481 5.943 -8.282 1.00 1.00 H new ATOM 0 HG SER A 120 -0.189 4.334 -8.159 1.00 1.00 H new TER 868 SER A 120