USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 30 HIS : no HD1:sc= 0.874 K(o=2.5,f=-1.7) USER MOD Set 1.2: A 35 SER OG : rot -95:sc= 1.21 USER MOD Set 1.3: A 37 SER OG : rot 150:sc= -0.737 USER MOD Set 1.4: A 59 TYR OH : rot 43:sc= 1.14 USER MOD Set 2.1: A 26 ASN : amide:sc= 1.07 K(o=2.3,f=-0.68) USER MOD Set 2.2: A 58 TYR OH : rot 153:sc= 1.28 USER MOD Set 3.1: A 19 ASN : amide:sc= -0.184 K(o=-0.18,f=-3.4!) USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0962 X(o=-0.096,f=-0.096) USER MOD Single : A 20 SER OG : rot 125:sc= 1.48 USER MOD Single : A 22 GLN : amide:sc= 0.177 K(o=0.18,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= 0.0101 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00621 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -59:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 62:sc= 1.13 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -7.242 -11.146 3.326 1.00 0.00 N ATOM 70 CA ASN A 10 -7.391 -11.348 1.844 1.00 0.00 C ATOM 71 C ASN A 10 -8.509 -10.498 1.122 1.00 0.00 C ATOM 72 O ASN A 10 -9.561 -11.003 0.725 1.00 0.00 O ATOM 73 CB ASN A 10 -7.350 -12.881 1.523 1.00 0.00 C ATOM 74 CG ASN A 10 -8.599 -13.756 1.442 1.00 0.00 C ATOM 75 OD1 ASN A 10 -8.841 -14.439 0.454 1.00 0.00 O ATOM 76 ND2 ASN A 10 -9.399 -13.843 2.460 1.00 0.00 N ATOM 0 HA ASN A 10 -6.525 -10.894 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.842 -12.981 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.704 -13.335 2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.204 -14.468 2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.223 -13.286 3.296 1.00 0.00 H new ATOM 77 N LEU A 11 -8.261 -9.190 0.914 1.00 0.00 N ATOM 78 CA LEU A 11 -9.258 -8.248 0.350 1.00 0.00 C ATOM 79 C LEU A 11 -8.530 -7.438 -0.780 1.00 0.00 C ATOM 80 O LEU A 11 -7.522 -6.766 -0.545 1.00 0.00 O ATOM 81 CB LEU A 11 -9.876 -7.501 1.571 1.00 0.00 C ATOM 82 CG LEU A 11 -10.380 -6.068 1.335 1.00 0.00 C ATOM 83 CD1 LEU A 11 -11.669 -6.074 0.505 1.00 0.00 C ATOM 84 CD2 LEU A 11 -10.616 -5.334 2.663 1.00 0.00 C ATOM 0 H LEU A 11 -7.365 -8.753 1.131 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.121 -8.668 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.710 -8.095 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.127 -7.470 2.363 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.606 -5.536 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.007 -5.049 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.478 -6.542 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.440 -6.635 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.972 -4.324 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.362 -5.872 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.682 -5.285 3.223 1.00 0.00 H new ATOM 85 N ASP A 12 -9.047 -7.533 -2.015 1.00 0.00 N ATOM 86 CA ASP A 12 -8.389 -6.959 -3.224 1.00 0.00 C ATOM 87 C ASP A 12 -8.612 -5.428 -3.485 1.00 0.00 C ATOM 88 O ASP A 12 -9.381 -4.731 -2.816 1.00 0.00 O ATOM 89 CB ASP A 12 -8.860 -7.866 -4.400 1.00 0.00 C ATOM 90 CG ASP A 12 -8.167 -9.230 -4.455 1.00 0.00 C ATOM 91 OD1 ASP A 12 -7.074 -9.397 -4.986 1.00 0.00 O ATOM 92 OD2 ASP A 12 -8.880 -10.210 -3.832 1.00 0.00 O ATOM 0 H ASP A 12 -9.929 -8.006 -2.215 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.307 -6.970 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.936 -8.020 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.685 -7.343 -5.340 1.00 0.00 H new ATOM 93 N GLU A 13 -7.889 -4.931 -4.507 1.00 0.00 N ATOM 94 CA GLU A 13 -7.971 -3.528 -4.999 1.00 0.00 C ATOM 95 C GLU A 13 -9.405 -3.061 -5.428 1.00 0.00 C ATOM 96 O GLU A 13 -10.153 -3.786 -6.092 1.00 0.00 O ATOM 97 CB GLU A 13 -6.924 -3.440 -6.156 1.00 0.00 C ATOM 98 CG GLU A 13 -6.886 -2.148 -7.026 1.00 0.00 C ATOM 99 CD GLU A 13 -7.804 -2.110 -8.249 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.567 -3.133 -9.113 1.00 0.00 O ATOM 101 OE2 GLU A 13 -8.640 -1.236 -8.451 1.00 0.00 O ATOM 0 H GLU A 13 -7.218 -5.497 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.747 -2.832 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.935 -3.575 -5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.095 -4.284 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.137 -1.301 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.861 -1.998 -7.366 1.00 0.00 H new ATOM 102 N GLY A 14 -9.746 -1.826 -5.042 1.00 0.00 N ATOM 103 CA GLY A 14 -11.097 -1.239 -5.309 1.00 0.00 C ATOM 104 C GLY A 14 -12.043 -1.007 -4.105 1.00 0.00 C ATOM 105 O GLY A 14 -13.016 -0.263 -4.231 1.00 0.00 O ATOM 0 H GLY A 14 -9.115 -1.200 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.951 -0.281 -5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.610 -1.892 -6.015 1.00 0.00 H new ATOM 106 N GLU A 15 -11.783 -1.646 -2.958 1.00 0.00 N ATOM 107 CA GLU A 15 -12.636 -1.562 -1.748 1.00 0.00 C ATOM 108 C GLU A 15 -12.061 -0.567 -0.687 1.00 0.00 C ATOM 109 O GLU A 15 -10.847 -0.429 -0.499 1.00 0.00 O ATOM 110 CB GLU A 15 -12.748 -3.007 -1.184 1.00 0.00 C ATOM 111 CG GLU A 15 -13.602 -4.012 -2.010 1.00 0.00 C ATOM 112 CD GLU A 15 -15.100 -3.716 -2.121 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.704 -2.885 -1.449 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.701 -4.497 -3.056 1.00 0.00 O ATOM 0 H GLU A 15 -10.967 -2.245 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.620 -1.167 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.742 -3.414 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.167 -2.949 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.190 -4.060 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.483 -5.002 -1.569 1.00 0.00 H new ATOM 115 N LEU A 16 -12.963 0.119 0.029 1.00 0.00 N ATOM 116 CA LEU A 16 -12.586 1.114 1.076 1.00 0.00 C ATOM 117 C LEU A 16 -12.143 0.450 2.425 1.00 0.00 C ATOM 118 O LEU A 16 -12.745 -0.513 2.911 1.00 0.00 O ATOM 119 CB LEU A 16 -13.783 2.086 1.273 1.00 0.00 C ATOM 120 CG LEU A 16 -14.027 3.101 0.124 1.00 0.00 C ATOM 121 CD1 LEU A 16 -15.400 3.771 0.290 1.00 0.00 C ATOM 122 CD2 LEU A 16 -12.945 4.192 0.075 1.00 0.00 C ATOM 0 H LEU A 16 -13.970 0.010 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.709 1.665 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.688 1.494 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.626 2.643 2.197 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.990 2.539 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.559 4.481 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.181 3.011 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.435 4.297 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.158 4.879 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.939 4.741 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.970 3.731 -0.082 1.00 0.00 H new ATOM 123 N CYS A 17 -11.070 0.990 3.020 1.00 0.00 N ATOM 124 CA CYS A 17 -10.431 0.431 4.238 1.00 0.00 C ATOM 125 C CYS A 17 -10.011 1.533 5.262 1.00 0.00 C ATOM 126 O CYS A 17 -9.652 2.660 4.903 1.00 0.00 O ATOM 127 CB CYS A 17 -9.204 -0.372 3.746 1.00 0.00 C ATOM 128 SG CYS A 17 -8.192 0.613 2.612 1.00 0.00 S ATOM 0 H CYS A 17 -10.612 1.833 2.674 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.138 -0.199 4.778 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.602 -0.682 4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.537 -1.281 3.245 1.00 0.00 H new ATOM 129 N LEU A 18 -10.027 1.183 6.559 1.00 0.00 N ATOM 130 CA LEU A 18 -9.538 2.084 7.641 1.00 0.00 C ATOM 131 C LEU A 18 -7.985 1.926 7.778 1.00 0.00 C ATOM 132 O LEU A 18 -7.266 2.866 7.450 1.00 0.00 O ATOM 133 CB LEU A 18 -10.342 1.813 8.950 1.00 0.00 C ATOM 134 CG LEU A 18 -11.849 2.189 8.954 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.517 1.678 10.241 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.082 3.706 8.842 1.00 0.00 C ATOM 0 H LEU A 18 -10.372 0.283 6.894 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.714 3.133 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.259 0.751 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.857 2.356 9.761 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.291 1.716 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.573 1.947 10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.419 0.594 10.296 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.033 2.131 11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.152 3.911 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.610 4.210 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.649 4.073 7.911 1.00 0.00 H new ATOM 137 N ASN A 19 -7.467 0.825 8.349 1.00 0.00 N ATOM 138 CA ASN A 19 -6.001 0.521 8.382 1.00 0.00 C ATOM 139 C ASN A 19 -5.528 -0.419 7.208 1.00 0.00 C ATOM 140 O ASN A 19 -6.337 -0.991 6.470 1.00 0.00 O ATOM 141 CB ASN A 19 -5.678 0.005 9.819 1.00 0.00 C ATOM 142 CG ASN A 19 -6.269 -1.350 10.222 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.825 -2.397 9.776 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.265 -1.389 11.066 1.00 0.00 N ATOM 0 H ASN A 19 -8.040 0.114 8.803 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.415 1.420 8.191 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.594 -0.054 9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.026 0.752 10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.662 -2.286 11.345 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.645 -0.522 11.446 1.00 0.00 H new ATOM 145 N SER A 20 -4.204 -0.642 7.076 1.00 0.00 N ATOM 146 CA SER A 20 -3.651 -1.606 6.066 1.00 0.00 C ATOM 147 C SER A 20 -3.721 -3.120 6.422 1.00 0.00 C ATOM 148 O SER A 20 -3.682 -3.941 5.501 1.00 0.00 O ATOM 149 CB SER A 20 -2.203 -1.216 5.734 1.00 0.00 C ATOM 150 OG SER A 20 -2.162 -0.008 4.979 1.00 0.00 O ATOM 0 H SER A 20 -3.494 -0.180 7.643 1.00 0.00 H new ATOM 0 HA SER A 20 -4.315 -1.510 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.635 -1.093 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.726 -2.018 5.171 1.00 0.00 H new ATOM 0 HG SER A 20 -1.584 0.641 5.432 1.00 0.00 H new ATOM 151 N ALA A 21 -3.885 -3.507 7.697 1.00 0.00 N ATOM 152 CA ALA A 21 -4.083 -4.935 8.091 1.00 0.00 C ATOM 153 C ALA A 21 -5.523 -5.541 7.861 1.00 0.00 C ATOM 154 O ALA A 21 -5.990 -6.431 8.571 1.00 0.00 O ATOM 155 CB ALA A 21 -3.667 -4.937 9.567 1.00 0.00 C ATOM 0 H ALA A 21 -3.886 -2.858 8.484 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.496 -5.594 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.770 -5.943 9.973 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.629 -4.616 9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.306 -4.253 10.126 1.00 0.00 H new ATOM 156 N GLN A 22 -6.184 -5.040 6.820 1.00 0.00 N ATOM 157 CA GLN A 22 -7.495 -5.502 6.305 1.00 0.00 C ATOM 158 C GLN A 22 -7.405 -6.121 4.858 1.00 0.00 C ATOM 159 O GLN A 22 -8.182 -7.030 4.570 1.00 0.00 O ATOM 160 CB GLN A 22 -8.450 -4.273 6.326 1.00 0.00 C ATOM 161 CG GLN A 22 -8.906 -3.794 7.732 1.00 0.00 C ATOM 162 CD GLN A 22 -9.857 -2.596 7.723 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.467 -1.447 7.883 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.135 -2.813 7.547 1.00 0.00 N ATOM 0 H GLN A 22 -5.811 -4.261 6.277 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.868 -6.307 6.938 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.954 -3.443 5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.337 -4.516 5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.394 -4.624 8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.023 -3.535 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.477 -3.764 7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.790 -2.031 7.545 1.00 0.00 H new ATOM 165 N CYS A 23 -6.531 -5.630 3.944 1.00 0.00 N ATOM 166 CA CYS A 23 -6.468 -6.095 2.526 1.00 0.00 C ATOM 167 C CYS A 23 -5.674 -7.438 2.313 1.00 0.00 C ATOM 168 O CYS A 23 -5.945 -8.410 3.018 1.00 0.00 O ATOM 169 CB CYS A 23 -6.066 -4.847 1.716 1.00 0.00 C ATOM 170 SG CYS A 23 -7.536 -3.784 1.712 1.00 0.00 S ATOM 0 H CYS A 23 -5.850 -4.903 4.163 1.00 0.00 H new ATOM 0 HA CYS A 23 -7.425 -6.450 2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.215 -4.340 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.772 -5.115 0.701 1.00 0.00 H new ATOM 171 N LYS A 24 -4.764 -7.573 1.326 1.00 0.00 N ATOM 172 CA LYS A 24 -4.096 -8.871 1.015 1.00 0.00 C ATOM 173 C LYS A 24 -2.921 -9.177 1.981 1.00 0.00 C ATOM 174 O LYS A 24 -3.026 -10.033 2.861 1.00 0.00 O ATOM 175 CB LYS A 24 -3.736 -8.954 -0.507 1.00 0.00 C ATOM 176 CG LYS A 24 -4.796 -8.527 -1.554 1.00 0.00 C ATOM 177 CD LYS A 24 -4.618 -7.053 -2.004 1.00 0.00 C ATOM 178 CE LYS A 24 -3.862 -6.865 -3.332 1.00 0.00 C ATOM 179 NZ LYS A 24 -4.726 -7.196 -4.489 1.00 0.00 N ATOM 0 H LYS A 24 -4.469 -6.803 0.726 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.802 -9.681 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.848 -8.342 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.456 -9.985 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.729 -9.181 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.793 -8.658 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.603 -6.596 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.087 -6.511 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.517 -5.834 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.976 -7.500 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.133 -7.474 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.358 -7.982 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.294 -6.364 -4.747 1.00 0.00 H new ATOM 180 N SER A 25 -1.790 -8.519 1.751 1.00 0.00 N ATOM 181 CA SER A 25 -0.617 -8.581 2.668 1.00 0.00 C ATOM 182 C SER A 25 -0.727 -7.476 3.775 1.00 0.00 C ATOM 183 O SER A 25 -0.796 -7.745 4.976 1.00 0.00 O ATOM 184 CB SER A 25 0.681 -8.553 1.808 1.00 0.00 C ATOM 185 OG SER A 25 0.794 -7.387 0.979 1.00 0.00 O ATOM 0 H SER A 25 -1.643 -7.926 0.934 1.00 0.00 H new ATOM 0 HA SER A 25 -0.588 -9.514 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.546 -8.604 2.469 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.709 -9.442 1.177 1.00 0.00 H new ATOM 0 HG SER A 25 1.629 -7.429 0.467 1.00 0.00 H new ATOM 186 N ASN A 26 -0.691 -6.220 3.317 1.00 0.00 N ATOM 187 CA ASN A 26 -0.831 -4.997 4.151 1.00 0.00 C ATOM 188 C ASN A 26 -0.988 -3.840 3.104 1.00 0.00 C ATOM 189 O ASN A 26 0.006 -3.187 2.768 1.00 0.00 O ATOM 190 CB ASN A 26 0.381 -4.841 5.133 1.00 0.00 C ATOM 191 CG ASN A 26 0.000 -4.379 6.533 1.00 0.00 C ATOM 192 OD1 ASN A 26 0.100 -3.213 6.889 1.00 0.00 O ATOM 193 ND2 ASN A 26 -0.429 -5.278 7.379 1.00 0.00 N ATOM 0 H ASN A 26 -0.560 -6.008 2.328 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.688 -5.013 4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.898 -5.798 5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.088 -4.128 4.708 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.678 -5.006 8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.515 -6.252 7.088 1.00 0.00 H new ATOM 194 N CYS A 27 -2.188 -3.583 2.535 1.00 0.00 N ATOM 195 CA CYS A 27 -2.314 -2.609 1.405 1.00 0.00 C ATOM 196 C CYS A 27 -3.558 -1.660 1.368 1.00 0.00 C ATOM 197 O CYS A 27 -4.343 -1.678 0.414 1.00 0.00 O ATOM 198 CB CYS A 27 -2.190 -3.513 0.142 1.00 0.00 C ATOM 199 SG CYS A 27 -2.284 -2.586 -1.410 1.00 0.00 S ATOM 0 H CYS A 27 -3.065 -4.018 2.823 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.542 -1.845 1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.243 -4.051 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.982 -4.261 0.159 1.00 0.00 H new ATOM 200 N CYS A 28 -3.715 -0.776 2.368 1.00 0.00 N ATOM 201 CA CYS A 28 -4.746 0.302 2.328 1.00 0.00 C ATOM 202 C CYS A 28 -4.012 1.543 1.739 1.00 0.00 C ATOM 203 O CYS A 28 -3.039 2.027 2.330 1.00 0.00 O ATOM 204 CB CYS A 28 -5.332 0.552 3.724 1.00 0.00 C ATOM 205 SG CYS A 28 -6.782 1.610 3.617 1.00 0.00 S ATOM 0 H CYS A 28 -3.148 -0.778 3.216 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.607 0.040 1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.600 -0.397 4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.581 1.017 4.362 1.00 0.00 H new ATOM 206 N GLN A 29 -4.434 2.033 0.565 1.00 0.00 N ATOM 207 CA GLN A 29 -3.695 3.104 -0.152 1.00 0.00 C ATOM 208 C GLN A 29 -4.343 4.526 -0.004 1.00 0.00 C ATOM 209 O GLN A 29 -5.488 4.779 -0.387 1.00 0.00 O ATOM 210 CB GLN A 29 -3.521 2.611 -1.621 1.00 0.00 C ATOM 211 CG GLN A 29 -2.093 2.831 -2.215 1.00 0.00 C ATOM 212 CD GLN A 29 -1.934 3.840 -3.345 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.409 3.547 -4.412 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.340 5.058 -3.132 1.00 0.00 N ATOM 0 H GLN A 29 -5.276 1.713 0.087 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.715 3.265 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.759 1.548 -1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.246 3.126 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.436 3.136 -1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.729 1.868 -2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.777 5.302 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.221 5.769 -3.854 1.00 0.00 H new ATOM 215 N HIS A 30 -3.578 5.450 0.592 1.00 0.00 N ATOM 216 CA HIS A 30 -3.997 6.846 0.876 1.00 0.00 C ATOM 217 C HIS A 30 -3.783 7.765 -0.371 1.00 0.00 C ATOM 218 O HIS A 30 -2.665 7.847 -0.895 1.00 0.00 O ATOM 219 CB HIS A 30 -3.127 7.323 2.082 1.00 0.00 C ATOM 220 CG HIS A 30 -3.676 8.404 3.010 1.00 0.00 C ATOM 221 ND1 HIS A 30 -2.833 9.105 3.859 1.00 0.00 N ATOM 222 CD2 HIS A 30 -5.019 8.744 3.266 1.00 0.00 C ATOM 223 CE1 HIS A 30 -3.759 9.850 4.537 1.00 0.00 C ATOM 224 NE2 HIS A 30 -5.088 9.700 4.260 1.00 0.00 N ATOM 0 H HIS A 30 -2.626 5.252 0.901 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.060 6.897 1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.903 6.448 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.179 7.683 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.872 8.318 2.758 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.440 10.555 5.290 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.900 10.162 4.670 1.00 0.00 H new ATOM 225 N ASP A 31 -4.818 8.471 -0.850 1.00 0.00 N ATOM 226 CA ASP A 31 -4.661 9.447 -1.970 1.00 0.00 C ATOM 227 C ASP A 31 -4.159 10.876 -1.520 1.00 0.00 C ATOM 228 O ASP A 31 -4.789 11.892 -1.809 1.00 0.00 O ATOM 229 CB ASP A 31 -5.943 9.324 -2.848 1.00 0.00 C ATOM 230 CG ASP A 31 -7.189 10.162 -2.574 1.00 0.00 C ATOM 231 OD1 ASP A 31 -8.032 9.593 -1.669 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.417 11.224 -3.143 1.00 0.00 O ATOM 0 H ASP A 31 -5.770 8.395 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.819 9.209 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.643 9.532 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.251 8.279 -2.811 1.00 0.00 H new ATOM 233 N THR A 32 -2.981 10.928 -0.858 1.00 0.00 N ATOM 234 CA THR A 32 -2.338 12.147 -0.231 1.00 0.00 C ATOM 235 C THR A 32 -2.760 12.339 1.281 1.00 0.00 C ATOM 236 O THR A 32 -3.510 11.542 1.847 1.00 0.00 O ATOM 237 CB THR A 32 -2.351 13.466 -1.084 1.00 0.00 C ATOM 238 OG1 THR A 32 -3.643 14.052 -1.115 1.00 0.00 O ATOM 239 CG2 THR A 32 -1.892 13.265 -2.533 1.00 0.00 C ATOM 0 H THR A 32 -2.411 10.092 -0.730 1.00 0.00 H new ATOM 0 HA THR A 32 -1.274 11.910 -0.229 1.00 0.00 H new ATOM 0 HB THR A 32 -1.640 14.124 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.282 13.414 -1.496 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.927 14.218 -3.061 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.871 12.882 -2.542 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.551 12.552 -3.028 1.00 0.00 H new ATOM 240 N ILE A 33 -2.242 13.372 1.973 1.00 0.00 N ATOM 241 CA ILE A 33 -2.431 13.583 3.453 1.00 0.00 C ATOM 242 C ILE A 33 -3.927 13.741 3.925 1.00 0.00 C ATOM 243 O ILE A 33 -4.397 12.921 4.718 1.00 0.00 O ATOM 244 CB ILE A 33 -1.514 14.776 3.935 1.00 0.00 C ATOM 245 CG1 ILE A 33 -0.031 14.769 3.442 1.00 0.00 C ATOM 246 CG2 ILE A 33 -1.486 14.897 5.484 1.00 0.00 C ATOM 247 CD1 ILE A 33 0.753 13.457 3.620 1.00 0.00 C ATOM 0 H ILE A 33 -1.675 14.097 1.534 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.117 12.660 3.940 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.999 15.631 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.024 15.028 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.505 15.559 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.844 15.729 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.496 15.073 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.098 13.974 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.766 13.584 3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.793 13.198 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.256 12.658 3.069 1.00 0.00 H new ATOM 248 N LEU A 34 -4.671 14.771 3.482 1.00 0.00 N ATOM 249 CA LEU A 34 -6.124 14.911 3.807 1.00 0.00 C ATOM 250 C LEU A 34 -6.965 14.243 2.666 1.00 0.00 C ATOM 251 O LEU A 34 -7.474 14.911 1.761 1.00 0.00 O ATOM 252 CB LEU A 34 -6.384 16.427 4.046 1.00 0.00 C ATOM 253 CG LEU A 34 -7.802 16.833 4.528 1.00 0.00 C ATOM 254 CD1 LEU A 34 -8.152 16.269 5.917 1.00 0.00 C ATOM 255 CD2 LEU A 34 -7.916 18.366 4.577 1.00 0.00 C ATOM 0 H LEU A 34 -4.302 15.522 2.899 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.431 14.391 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.662 16.782 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.178 16.956 3.116 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.506 16.409 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.156 16.588 6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.113 15.180 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.436 16.639 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.913 18.646 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.173 18.764 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.743 18.776 3.582 1.00 0.00 H new ATOM 256 N SER A 35 -7.079 12.903 2.710 1.00 0.00 N ATOM 257 CA SER A 35 -7.718 12.110 1.622 1.00 0.00 C ATOM 258 C SER A 35 -8.503 10.835 2.089 1.00 0.00 C ATOM 259 O SER A 35 -8.459 10.414 3.250 1.00 0.00 O ATOM 260 CB SER A 35 -6.575 11.763 0.642 1.00 0.00 C ATOM 261 OG SER A 35 -5.808 10.634 1.061 1.00 0.00 O ATOM 0 H SER A 35 -6.738 12.337 3.487 1.00 0.00 H new ATOM 0 HA SER A 35 -8.505 12.705 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.996 11.564 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.917 12.626 0.540 1.00 0.00 H new ATOM 0 HG SER A 35 -5.019 10.940 1.555 1.00 0.00 H new ATOM 262 N LEU A 36 -9.216 10.206 1.138 1.00 0.00 N ATOM 263 CA LEU A 36 -9.929 8.917 1.360 1.00 0.00 C ATOM 264 C LEU A 36 -8.993 7.684 1.078 1.00 0.00 C ATOM 265 O LEU A 36 -8.202 7.672 0.124 1.00 0.00 O ATOM 266 CB LEU A 36 -11.185 8.971 0.441 1.00 0.00 C ATOM 267 CG LEU A 36 -12.216 7.821 0.572 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.884 7.768 1.957 1.00 0.00 C ATOM 269 CD2 LEU A 36 -13.311 7.980 -0.496 1.00 0.00 C ATOM 0 H LEU A 36 -9.320 10.570 0.191 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.231 8.785 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.703 9.911 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.844 9.001 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.664 6.891 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.595 6.942 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.123 7.619 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.408 8.705 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.033 7.169 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.817 8.935 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.859 7.948 -1.488 1.00 0.00 H new ATOM 270 N SER A 37 -9.087 6.635 1.910 1.00 0.00 N ATOM 271 CA SER A 37 -8.182 5.454 1.816 1.00 0.00 C ATOM 272 C SER A 37 -8.897 4.214 1.180 1.00 0.00 C ATOM 273 O SER A 37 -9.797 3.600 1.763 1.00 0.00 O ATOM 274 CB SER A 37 -7.624 5.145 3.223 1.00 0.00 C ATOM 275 OG SER A 37 -7.007 6.287 3.824 1.00 0.00 O ATOM 0 H SER A 37 -9.777 6.570 2.659 1.00 0.00 H new ATOM 0 HA SER A 37 -7.354 5.689 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.433 4.793 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.897 4.336 3.154 1.00 0.00 H new ATOM 0 HG SER A 37 -7.101 6.235 4.798 1.00 0.00 H new ATOM 276 N ARG A 38 -8.474 3.855 -0.037 1.00 0.00 N ATOM 277 CA ARG A 38 -9.004 2.688 -0.798 1.00 0.00 C ATOM 278 C ARG A 38 -7.838 1.691 -1.119 1.00 0.00 C ATOM 279 O ARG A 38 -6.717 2.113 -1.423 1.00 0.00 O ATOM 280 CB ARG A 38 -9.661 3.260 -2.081 1.00 0.00 C ATOM 281 CG ARG A 38 -10.576 2.267 -2.847 1.00 0.00 C ATOM 282 CD ARG A 38 -10.600 2.485 -4.369 1.00 0.00 C ATOM 283 NE ARG A 38 -9.321 1.993 -4.945 1.00 0.00 N ATOM 284 CZ ARG A 38 -9.055 1.859 -6.234 1.00 0.00 C ATOM 285 NH1 ARG A 38 -9.884 2.164 -7.196 1.00 0.00 N ATOM 286 NH2 ARG A 38 -7.897 1.380 -6.553 1.00 0.00 N ATOM 0 H ARG A 38 -7.746 4.364 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.743 2.124 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.248 4.137 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.874 3.599 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.243 1.250 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.592 2.354 -2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.442 1.954 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.734 3.543 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.584 1.736 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.809 2.533 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.607 2.033 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.233 1.123 -5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.648 1.259 -7.535 1.00 0.00 H new ATOM 287 N CYS A 39 -8.060 0.364 -1.070 1.00 0.00 N ATOM 288 CA CYS A 39 -6.991 -0.617 -1.387 1.00 0.00 C ATOM 289 C CYS A 39 -6.583 -0.659 -2.893 1.00 0.00 C ATOM 290 O CYS A 39 -7.334 -0.385 -3.834 1.00 0.00 O ATOM 291 CB CYS A 39 -7.417 -1.997 -0.852 1.00 0.00 C ATOM 292 SG CYS A 39 -7.196 -1.984 0.936 1.00 0.00 S ATOM 0 H CYS A 39 -8.955 -0.055 -0.818 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.079 -0.292 -0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.457 -2.202 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.816 -2.785 -1.306 1.00 0.00 H new ATOM 293 N ALA A 40 -5.312 -1.018 -3.050 1.00 0.00 N ATOM 294 CA ALA A 40 -4.593 -1.033 -4.337 1.00 0.00 C ATOM 295 C ALA A 40 -3.798 -2.356 -4.580 1.00 0.00 C ATOM 296 O ALA A 40 -3.836 -3.307 -3.793 1.00 0.00 O ATOM 297 CB ALA A 40 -3.712 0.222 -4.227 1.00 0.00 C ATOM 0 H ALA A 40 -4.730 -1.317 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.249 -1.011 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.117 0.329 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.345 1.101 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.049 0.127 -3.367 1.00 0.00 H new ATOM 298 N LEU A 41 -3.095 -2.423 -5.715 1.00 0.00 N ATOM 299 CA LEU A 41 -2.248 -3.596 -6.066 1.00 0.00 C ATOM 300 C LEU A 41 -0.821 -3.493 -5.428 1.00 0.00 C ATOM 301 O LEU A 41 -0.189 -2.432 -5.422 1.00 0.00 O ATOM 302 CB LEU A 41 -2.142 -3.698 -7.618 1.00 0.00 C ATOM 303 CG LEU A 41 -3.439 -3.990 -8.419 1.00 0.00 C ATOM 304 CD1 LEU A 41 -3.168 -3.880 -9.927 1.00 0.00 C ATOM 305 CD2 LEU A 41 -4.036 -5.375 -8.114 1.00 0.00 C ATOM 0 H LEU A 41 -3.088 -1.682 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.716 -4.495 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.726 -2.760 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.421 -4.481 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.168 -3.242 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.086 -4.087 -10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.823 -2.873 -10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.403 -4.602 -10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.941 -5.519 -8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.310 -6.148 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.281 -5.440 -7.054 1.00 0.00 H new ATOM 306 N LYS A 42 -0.310 -4.618 -4.904 1.00 0.00 N ATOM 307 CA LYS A 42 1.087 -4.712 -4.382 1.00 0.00 C ATOM 308 C LYS A 42 2.137 -4.607 -5.552 1.00 0.00 C ATOM 309 O LYS A 42 1.949 -5.185 -6.629 1.00 0.00 O ATOM 310 CB LYS A 42 1.178 -5.983 -3.496 1.00 0.00 C ATOM 311 CG LYS A 42 0.995 -7.370 -4.162 1.00 0.00 C ATOM 312 CD LYS A 42 0.880 -8.493 -3.112 1.00 0.00 C ATOM 313 CE LYS A 42 0.770 -9.880 -3.760 1.00 0.00 C ATOM 314 NZ LYS A 42 0.725 -10.912 -2.705 1.00 0.00 N ATOM 0 H LYS A 42 -0.837 -5.487 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 42 1.344 -3.867 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.153 -5.977 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.428 -5.892 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.100 -7.360 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.839 -7.572 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.751 -8.467 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.006 -8.315 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.127 -9.935 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.621 -10.054 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.650 -11.853 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.593 -10.863 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.100 -10.748 -2.094 1.00 0.00 H new ATOM 315 N ALA A 43 3.251 -3.886 -5.339 1.00 0.00 N ATOM 316 CA ALA A 43 4.204 -3.573 -6.435 1.00 0.00 C ATOM 317 C ALA A 43 5.137 -4.723 -6.955 1.00 0.00 C ATOM 318 O ALA A 43 5.527 -5.669 -6.265 1.00 0.00 O ATOM 319 CB ALA A 43 5.019 -2.374 -5.908 1.00 0.00 C ATOM 0 H ALA A 43 3.518 -3.509 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 43 3.624 -3.373 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.752 -2.074 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.348 -1.540 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.534 -2.659 -4.991 1.00 0.00 H new ATOM 320 N ARG A 44 5.478 -4.573 -8.237 1.00 0.00 N ATOM 321 CA ARG A 44 6.333 -5.519 -9.005 1.00 0.00 C ATOM 322 C ARG A 44 7.779 -4.966 -9.203 1.00 0.00 C ATOM 323 O ARG A 44 8.075 -3.796 -8.960 1.00 0.00 O ATOM 324 CB ARG A 44 5.613 -5.785 -10.365 1.00 0.00 C ATOM 325 CG ARG A 44 4.605 -6.954 -10.303 1.00 0.00 C ATOM 326 CD ARG A 44 3.751 -7.146 -11.568 1.00 0.00 C ATOM 327 NE ARG A 44 4.557 -7.713 -12.681 1.00 0.00 N ATOM 328 CZ ARG A 44 4.094 -7.988 -13.895 1.00 0.00 C ATOM 329 NH1 ARG A 44 2.851 -7.820 -14.265 1.00 0.00 N ATOM 330 NH2 ARG A 44 4.929 -8.454 -14.771 1.00 0.00 N ATOM 0 H ARG A 44 5.167 -3.777 -8.794 1.00 0.00 H new ATOM 0 HA ARG A 44 6.457 -6.453 -8.456 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.091 -4.880 -10.675 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.361 -5.999 -11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.153 -7.876 -10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.939 -6.795 -9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.914 -7.809 -11.348 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.328 -6.189 -11.873 1.00 0.00 H new ATOM 0 HE ARG A 44 5.542 -7.906 -12.498 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.166 -7.456 -13.602 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.566 -8.053 -15.216 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.906 -8.598 -14.518 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.608 -8.676 -15.713 1.00 0.00 H new ATOM 331 N GLU A 45 8.685 -5.831 -9.677 1.00 0.00 N ATOM 332 CA GLU A 45 10.137 -5.517 -9.828 1.00 0.00 C ATOM 333 C GLU A 45 10.432 -4.204 -10.642 1.00 0.00 C ATOM 334 O GLU A 45 9.955 -4.008 -11.762 1.00 0.00 O ATOM 335 CB GLU A 45 10.837 -6.745 -10.478 1.00 0.00 C ATOM 336 CG GLU A 45 12.360 -6.819 -10.186 1.00 0.00 C ATOM 337 CD GLU A 45 13.099 -7.881 -10.993 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.101 -9.075 -10.715 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.763 -7.355 -12.057 1.00 0.00 O ATOM 0 H GLU A 45 8.444 -6.777 -9.972 1.00 0.00 H new ATOM 0 HA GLU A 45 10.536 -5.320 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.362 -7.657 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.684 -6.711 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.806 -5.846 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.506 -7.018 -9.124 1.00 0.00 H new ATOM 340 N ASN A 46 11.223 -3.318 -10.026 1.00 0.00 N ATOM 341 CA ASN A 46 11.527 -1.934 -10.528 1.00 0.00 C ATOM 342 C ASN A 46 10.305 -0.936 -10.413 1.00 0.00 C ATOM 343 O ASN A 46 10.191 0.009 -11.196 1.00 0.00 O ATOM 344 CB ASN A 46 12.216 -1.942 -11.928 1.00 0.00 C ATOM 345 CG ASN A 46 13.579 -2.623 -11.972 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.584 -2.106 -11.500 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.661 -3.798 -12.532 1.00 0.00 N ATOM 0 H ASN A 46 11.689 -3.529 -9.144 1.00 0.00 H new ATOM 0 HA ASN A 46 12.270 -1.523 -9.844 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.555 -2.439 -12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.330 -0.912 -12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.558 -4.281 -12.575 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.828 -4.234 -12.927 1.00 0.00 H new ATOM 348 N SER A 47 9.442 -1.087 -9.384 1.00 0.00 N ATOM 349 CA SER A 47 8.317 -0.151 -9.097 1.00 0.00 C ATOM 350 C SER A 47 8.317 0.283 -7.593 1.00 0.00 C ATOM 351 O SER A 47 8.787 -0.432 -6.701 1.00 0.00 O ATOM 352 CB SER A 47 6.975 -0.826 -9.476 1.00 0.00 C ATOM 353 OG SER A 47 6.941 -1.209 -10.851 1.00 0.00 O ATOM 0 H SER A 47 9.501 -1.862 -8.723 1.00 0.00 H new ATOM 0 HA SER A 47 8.445 0.750 -9.697 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.822 -1.705 -8.850 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.153 -0.141 -9.270 1.00 0.00 H new ATOM 0 HG SER A 47 6.080 -1.632 -11.051 1.00 0.00 H new ATOM 354 N GLU A 48 7.766 1.471 -7.309 1.00 0.00 N ATOM 355 CA GLU A 48 7.755 2.069 -5.956 1.00 0.00 C ATOM 356 C GLU A 48 6.816 1.335 -4.928 1.00 0.00 C ATOM 357 O GLU A 48 5.662 0.979 -5.180 1.00 0.00 O ATOM 358 CB GLU A 48 7.345 3.564 -6.090 1.00 0.00 C ATOM 359 CG GLU A 48 8.452 4.520 -6.608 1.00 0.00 C ATOM 360 CD GLU A 48 8.076 5.997 -6.530 1.00 0.00 C ATOM 361 OE1 GLU A 48 7.388 6.414 -7.625 1.00 0.00 O ATOM 362 OE2 GLU A 48 8.357 6.726 -5.584 1.00 0.00 O ATOM 0 H GLU A 48 7.311 2.052 -8.013 1.00 0.00 H new ATOM 0 HA GLU A 48 8.760 1.963 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.490 3.629 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.011 3.919 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.361 4.355 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.682 4.267 -7.643 1.00 0.00 H new ATOM 363 N CYS A 49 7.388 1.172 -3.743 1.00 0.00 N ATOM 364 CA CYS A 49 6.793 0.491 -2.565 1.00 0.00 C ATOM 365 C CYS A 49 7.104 1.263 -1.238 1.00 0.00 C ATOM 366 O CYS A 49 8.178 1.857 -1.069 1.00 0.00 O ATOM 367 CB CYS A 49 7.387 -0.930 -2.539 1.00 0.00 C ATOM 368 SG CYS A 49 9.190 -0.900 -2.408 1.00 0.00 S ATOM 0 H CYS A 49 8.326 1.523 -3.551 1.00 0.00 H new ATOM 0 HA CYS A 49 5.706 0.459 -2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.970 -1.483 -1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.097 -1.462 -3.445 1.00 0.00 H new ATOM 369 N SER A 50 6.192 1.215 -0.249 1.00 0.00 N ATOM 370 CA SER A 50 6.450 1.812 1.096 1.00 0.00 C ATOM 371 C SER A 50 7.364 0.836 1.896 1.00 0.00 C ATOM 372 O SER A 50 6.947 -0.246 2.319 1.00 0.00 O ATOM 373 CB SER A 50 5.135 2.098 1.858 1.00 0.00 C ATOM 374 OG SER A 50 4.324 3.042 1.160 1.00 0.00 O ATOM 0 H SER A 50 5.276 0.776 -0.344 1.00 0.00 H new ATOM 0 HA SER A 50 6.949 2.774 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.581 1.169 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.365 2.479 2.853 1.00 0.00 H new ATOM 0 HG SER A 50 4.076 2.677 0.285 1.00 0.00 H new ATOM 375 N ALA A 51 8.634 1.226 2.072 1.00 0.00 N ATOM 376 CA ALA A 51 9.648 0.346 2.712 1.00 0.00 C ATOM 377 C ALA A 51 9.517 0.186 4.268 1.00 0.00 C ATOM 378 O ALA A 51 9.727 -0.899 4.814 1.00 0.00 O ATOM 379 CB ALA A 51 10.996 0.965 2.299 1.00 0.00 C ATOM 0 H ALA A 51 8.992 2.137 1.786 1.00 0.00 H new ATOM 0 HA ALA A 51 9.521 -0.683 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.811 0.381 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.079 0.963 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.053 1.990 2.666 1.00 0.00 H new ATOM 380 N PHE A 52 9.204 1.284 4.964 1.00 0.00 N ATOM 381 CA PHE A 52 8.879 1.293 6.409 1.00 0.00 C ATOM 382 C PHE A 52 7.347 0.998 6.596 1.00 0.00 C ATOM 383 O PHE A 52 6.514 1.427 5.786 1.00 0.00 O ATOM 384 CB PHE A 52 9.288 2.692 6.986 1.00 0.00 C ATOM 385 CG PHE A 52 8.525 3.926 6.438 1.00 0.00 C ATOM 386 CD1 PHE A 52 7.283 4.277 6.982 1.00 0.00 C ATOM 387 CD2 PHE A 52 8.965 4.561 5.271 1.00 0.00 C ATOM 388 CE1 PHE A 52 6.465 5.193 6.329 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.151 5.488 4.627 1.00 0.00 C ATOM 390 CZ PHE A 52 6.896 5.793 5.148 1.00 0.00 C ATOM 0 H PHE A 52 9.167 2.211 4.539 1.00 0.00 H new ATOM 0 HA PHE A 52 9.426 0.520 6.949 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.157 2.665 8.068 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.351 2.839 6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.959 3.835 7.912 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.940 4.331 4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.496 5.439 6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.492 5.971 3.723 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.256 6.496 4.636 1.00 0.00 H new ATOM 391 N THR A 53 6.964 0.298 7.669 1.00 0.00 N ATOM 392 CA THR A 53 5.519 0.095 8.004 1.00 0.00 C ATOM 393 C THR A 53 5.234 0.604 9.447 1.00 0.00 C ATOM 394 O THR A 53 6.052 0.544 10.371 1.00 0.00 O ATOM 395 CB THR A 53 5.002 -1.365 7.825 1.00 0.00 C ATOM 396 OG1 THR A 53 5.819 -2.304 8.509 1.00 0.00 O ATOM 397 CG2 THR A 53 4.957 -1.797 6.355 1.00 0.00 C ATOM 0 H THR A 53 7.613 -0.139 8.324 1.00 0.00 H new ATOM 0 HA THR A 53 4.961 0.682 7.275 1.00 0.00 H new ATOM 0 HB THR A 53 3.995 -1.357 8.241 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.462 -3.207 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.590 -2.821 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.290 -1.136 5.802 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.959 -1.742 5.929 1.00 0.00 H new ATOM 398 N LEU A 54 4.023 1.137 9.590 1.00 0.00 N ATOM 399 CA LEU A 54 3.470 1.586 10.890 1.00 0.00 C ATOM 400 C LEU A 54 2.345 0.568 11.275 1.00 0.00 C ATOM 401 O LEU A 54 2.511 -0.655 11.216 1.00 0.00 O ATOM 402 CB LEU A 54 3.124 3.110 10.667 1.00 0.00 C ATOM 403 CG LEU A 54 1.865 3.463 9.800 1.00 0.00 C ATOM 404 CD1 LEU A 54 0.797 4.243 10.594 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.210 4.238 8.526 1.00 0.00 C ATOM 0 H LEU A 54 3.383 1.276 8.808 1.00 0.00 H new ATOM 0 HA LEU A 54 4.113 1.572 11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.993 3.569 11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.990 3.584 10.206 1.00 0.00 H new ATOM 0 HG LEU A 54 1.453 2.496 9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.052 4.461 9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.462 3.643 11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.224 5.177 10.958 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.296 4.451 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.700 5.175 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.879 3.641 7.907 1.00 0.00 H new ATOM 406 N TYR A 55 1.212 1.084 11.728 1.00 0.00 N ATOM 407 CA TYR A 55 -0.011 0.291 11.935 1.00 0.00 C ATOM 408 C TYR A 55 -1.132 1.129 11.226 1.00 0.00 C ATOM 409 O TYR A 55 -1.967 1.778 11.864 1.00 0.00 O ATOM 410 CB TYR A 55 -0.185 -0.029 13.446 1.00 0.00 C ATOM 411 CG TYR A 55 -1.442 -0.875 13.665 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.489 -2.178 13.163 1.00 0.00 C ATOM 413 CD2 TYR A 55 -2.623 -0.234 14.042 1.00 0.00 C ATOM 414 CE1 TYR A 55 -2.717 -2.803 12.968 1.00 0.00 C ATOM 415 CE2 TYR A 55 -3.849 -0.860 13.848 1.00 0.00 C ATOM 416 CZ TYR A 55 -3.898 -2.148 13.317 1.00 0.00 C ATOM 417 OH TYR A 55 -5.107 -2.743 13.082 1.00 0.00 O ATOM 0 H TYR A 55 1.105 2.070 11.967 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.016 -0.707 11.498 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.691 -0.563 13.815 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.257 0.898 14.016 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.573 -2.700 12.927 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.584 0.750 14.485 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.756 -3.796 12.546 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.764 -0.348 14.109 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.827 -2.152 13.386 1.00 0.00 H new ATOM 418 N GLY A 56 -1.111 1.162 9.880 1.00 0.00 N ATOM 419 CA GLY A 56 -2.053 2.032 9.130 1.00 0.00 C ATOM 420 C GLY A 56 -1.806 2.196 7.623 1.00 0.00 C ATOM 421 O GLY A 56 -1.180 1.376 6.957 1.00 0.00 O ATOM 0 H GLY A 56 -0.475 0.616 9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.060 1.637 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.034 3.022 9.585 1.00 0.00 H new ATOM 422 N VAL A 57 -2.374 3.270 7.088 1.00 0.00 N ATOM 423 CA VAL A 57 -2.515 3.489 5.612 1.00 0.00 C ATOM 424 C VAL A 57 -1.183 3.995 4.956 1.00 0.00 C ATOM 425 O VAL A 57 -0.386 4.724 5.556 1.00 0.00 O ATOM 426 CB VAL A 57 -3.727 4.449 5.355 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.195 4.471 3.888 1.00 0.00 C ATOM 428 CG2 VAL A 57 -5.006 4.054 6.115 1.00 0.00 C ATOM 0 H VAL A 57 -2.759 4.030 7.649 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.720 2.536 5.125 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.322 5.406 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.036 5.156 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.376 4.803 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.504 3.469 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.800 4.765 5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.316 3.054 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.809 4.062 7.187 1.00 0.00 H new ATOM 429 N TYR A 58 -0.961 3.586 3.701 1.00 0.00 N ATOM 430 CA TYR A 58 0.304 3.835 2.964 1.00 0.00 C ATOM 431 C TYR A 58 0.105 4.579 1.610 1.00 0.00 C ATOM 432 O TYR A 58 -0.945 4.508 0.976 1.00 0.00 O ATOM 433 CB TYR A 58 0.917 2.427 2.691 1.00 0.00 C ATOM 434 CG TYR A 58 1.201 1.485 3.879 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.755 1.957 5.074 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.811 0.146 3.785 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.933 1.094 6.152 1.00 0.00 C ATOM 438 CE2 TYR A 58 1.014 -0.719 4.857 1.00 0.00 C ATOM 439 CZ TYR A 58 1.556 -0.240 6.046 1.00 0.00 C ATOM 440 OH TYR A 58 1.636 -1.048 7.148 1.00 0.00 O ATOM 0 H TYR A 58 -1.652 3.069 3.157 1.00 0.00 H new ATOM 0 HA TYR A 58 0.945 4.483 3.563 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.245 1.903 2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.857 2.576 2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.045 2.994 5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.351 -0.219 2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.364 1.461 7.071 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.751 -1.762 4.766 1.00 0.00 H new ATOM 0 HH TYR A 58 0.978 -1.771 7.072 1.00 0.00 H new ATOM 441 N TYR A 59 1.155 5.226 1.102 1.00 0.00 N ATOM 442 CA TYR A 59 1.125 5.875 -0.252 1.00 0.00 C ATOM 443 C TYR A 59 1.481 4.928 -1.461 1.00 0.00 C ATOM 444 O TYR A 59 1.105 5.219 -2.596 1.00 0.00 O ATOM 445 CB TYR A 59 2.065 7.113 -0.177 1.00 0.00 C ATOM 446 CG TYR A 59 1.615 8.223 0.797 1.00 0.00 C ATOM 447 CD1 TYR A 59 0.387 8.862 0.596 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.314 8.437 1.992 1.00 0.00 C ATOM 449 CE1 TYR A 59 -0.180 9.620 1.615 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.750 9.217 3.001 1.00 0.00 C ATOM 451 CZ TYR A 59 0.488 9.772 2.824 1.00 0.00 C ATOM 452 OH TYR A 59 -0.165 10.340 3.882 1.00 0.00 O ATOM 0 H TYR A 59 2.045 5.326 1.590 1.00 0.00 H new ATOM 0 HA TYR A 59 0.097 6.162 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.060 6.777 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.154 7.542 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.122 8.767 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.291 7.998 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.140 10.091 1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.293 9.390 3.919 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.073 9.975 3.940 1.00 0.00 H new ATOM 453 N LYS A 60 2.192 3.815 -1.218 1.00 0.00 N ATOM 454 CA LYS A 60 2.571 2.798 -2.228 1.00 0.00 C ATOM 455 C LYS A 60 2.559 1.430 -1.469 1.00 0.00 C ATOM 456 O LYS A 60 3.256 1.276 -0.462 1.00 0.00 O ATOM 457 CB LYS A 60 3.996 3.068 -2.793 1.00 0.00 C ATOM 458 CG LYS A 60 4.269 4.390 -3.537 1.00 0.00 C ATOM 459 CD LYS A 60 3.566 4.533 -4.897 1.00 0.00 C ATOM 460 CE LYS A 60 3.978 5.844 -5.582 1.00 0.00 C ATOM 461 NZ LYS A 60 3.238 5.990 -6.845 1.00 0.00 N ATOM 0 H LYS A 60 2.533 3.585 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 60 1.884 2.814 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.696 3.009 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.240 2.252 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.962 5.218 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.344 4.487 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.821 3.687 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.485 4.513 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.771 6.690 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.051 5.845 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.516 6.878 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.457 5.188 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.217 6.007 -6.649 1.00 0.00 H new ATOM 462 N CYS A 61 1.785 0.431 -1.902 1.00 0.00 N ATOM 463 CA CYS A 61 1.732 -0.897 -1.215 1.00 0.00 C ATOM 464 C CYS A 61 3.127 -1.668 -1.113 1.00 0.00 C ATOM 465 O CYS A 61 3.828 -1.725 -2.131 1.00 0.00 O ATOM 466 CB CYS A 61 0.640 -1.696 -1.942 1.00 0.00 C ATOM 467 SG CYS A 61 -0.977 -1.073 -1.444 1.00 0.00 S ATOM 0 H CYS A 61 1.182 0.500 -2.722 1.00 0.00 H new ATOM 0 HA CYS A 61 1.492 -0.757 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.762 -1.604 -3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.725 -2.755 -1.701 1.00 0.00 H new ATOM 468 N PRO A 62 3.567 -2.264 0.049 1.00 0.00 N ATOM 469 CA PRO A 62 4.933 -2.883 0.202 1.00 0.00 C ATOM 470 C PRO A 62 5.343 -4.178 -0.606 1.00 0.00 C ATOM 471 O PRO A 62 5.674 -5.213 -0.023 1.00 0.00 O ATOM 472 CB PRO A 62 5.002 -3.116 1.734 1.00 0.00 C ATOM 473 CG PRO A 62 4.000 -2.166 2.369 1.00 0.00 C ATOM 474 CD PRO A 62 2.872 -2.128 1.351 1.00 0.00 C ATOM 0 HA PRO A 62 5.660 -2.208 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.762 -4.151 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.007 -2.925 2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.657 -2.529 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.429 -1.178 2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.161 -2.938 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.311 -1.195 1.410 1.00 0.00 H new ATOM 475 N CYS A 63 5.419 -4.091 -1.948 1.00 0.00 N ATOM 476 CA CYS A 63 5.877 -5.192 -2.862 1.00 0.00 C ATOM 477 C CYS A 63 5.077 -6.555 -2.813 1.00 0.00 C ATOM 478 O CYS A 63 4.293 -6.854 -1.906 1.00 0.00 O ATOM 479 CB CYS A 63 7.406 -5.425 -2.669 1.00 0.00 C ATOM 480 SG CYS A 63 8.380 -3.943 -2.991 1.00 0.00 S ATOM 0 H CYS A 63 5.162 -3.242 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 63 5.654 -4.826 -3.864 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.592 -5.763 -1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.735 -6.223 -3.335 1.00 0.00 H new ATOM 481 N GLU A 64 5.278 -7.389 -3.847 1.00 0.00 N ATOM 482 CA GLU A 64 4.713 -8.764 -3.920 1.00 0.00 C ATOM 483 C GLU A 64 5.511 -9.829 -3.075 1.00 0.00 C ATOM 484 O GLU A 64 6.655 -9.612 -2.659 1.00 0.00 O ATOM 485 CB GLU A 64 4.612 -9.101 -5.440 1.00 0.00 C ATOM 486 CG GLU A 64 5.943 -9.448 -6.164 1.00 0.00 C ATOM 487 CD GLU A 64 5.883 -9.630 -7.677 1.00 0.00 C ATOM 488 OE1 GLU A 64 4.900 -10.487 -8.066 1.00 0.00 O ATOM 489 OE2 GLU A 64 6.657 -9.086 -8.458 1.00 0.00 O ATOM 0 H GLU A 64 5.837 -7.136 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 64 3.729 -8.803 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.930 -9.943 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.159 -8.250 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.662 -8.659 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.336 -10.366 -5.728 1.00 0.00 H new ATOM 490 N ARG A 65 4.910 -11.014 -2.862 1.00 0.00 N ATOM 491 CA ARG A 65 5.513 -12.109 -2.049 1.00 0.00 C ATOM 492 C ARG A 65 6.849 -12.680 -2.653 1.00 0.00 C ATOM 493 O ARG A 65 6.878 -13.254 -3.746 1.00 0.00 O ATOM 494 CB ARG A 65 4.409 -13.191 -1.890 1.00 0.00 C ATOM 495 CG ARG A 65 4.681 -14.327 -0.869 1.00 0.00 C ATOM 496 CD ARG A 65 4.682 -13.912 0.618 1.00 0.00 C ATOM 497 NE ARG A 65 6.024 -13.434 1.052 1.00 0.00 N ATOM 498 CZ ARG A 65 6.285 -12.277 1.651 1.00 0.00 C ATOM 499 NH1 ARG A 65 5.392 -11.366 1.931 1.00 0.00 N ATOM 500 NH2 ARG A 65 7.515 -12.027 1.967 1.00 0.00 N ATOM 0 H ARG A 65 3.994 -11.248 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 65 5.825 -11.727 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.484 -12.692 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.237 -13.646 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.928 -15.103 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.647 -14.775 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.945 -13.124 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.380 -14.760 1.233 1.00 0.00 H new ATOM 0 HE ARG A 65 6.816 -14.052 0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.413 -11.519 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.673 -10.501 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.244 -12.708 1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.755 -11.149 2.428 1.00 0.00 H new ATOM 501 N GLY A 66 7.947 -12.485 -1.914 1.00 0.00 N ATOM 502 CA GLY A 66 9.329 -12.842 -2.375 1.00 0.00 C ATOM 503 C GLY A 66 10.298 -11.688 -2.766 1.00 0.00 C ATOM 504 O GLY A 66 11.513 -11.903 -2.832 1.00 0.00 O ATOM 0 H GLY A 66 7.922 -12.077 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.804 -13.421 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.232 -13.501 -3.238 1.00 0.00 H new ATOM 505 N LEU A 67 9.782 -10.479 -3.031 1.00 0.00 N ATOM 506 CA LEU A 67 10.593 -9.286 -3.396 1.00 0.00 C ATOM 507 C LEU A 67 10.847 -8.360 -2.159 1.00 0.00 C ATOM 508 O LEU A 67 10.061 -8.291 -1.208 1.00 0.00 O ATOM 509 CB LEU A 67 9.845 -8.521 -4.536 1.00 0.00 C ATOM 510 CG LEU A 67 10.176 -8.951 -5.988 1.00 0.00 C ATOM 511 CD1 LEU A 67 9.732 -10.379 -6.340 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.594 -7.959 -7.000 1.00 0.00 C ATOM 0 H LEU A 67 8.780 -10.290 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 67 11.575 -9.604 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.773 -8.640 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.066 -7.458 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 67 11.264 -8.945 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.001 -10.600 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.227 -11.088 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.652 -10.464 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.840 -8.284 -8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.511 -7.917 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.016 -6.970 -6.824 1.00 0.00 H new ATOM 513 N THR A 68 11.971 -7.627 -2.177 1.00 0.00 N ATOM 514 CA THR A 68 12.309 -6.638 -1.120 1.00 0.00 C ATOM 515 C THR A 68 11.989 -5.177 -1.557 1.00 0.00 C ATOM 516 O THR A 68 12.113 -4.801 -2.723 1.00 0.00 O ATOM 517 CB THR A 68 13.811 -6.825 -0.716 1.00 0.00 C ATOM 518 OG1 THR A 68 13.924 -6.674 0.693 1.00 0.00 O ATOM 519 CG2 THR A 68 14.822 -5.834 -1.313 1.00 0.00 C ATOM 0 H THR A 68 12.672 -7.696 -2.915 1.00 0.00 H new ATOM 0 HA THR A 68 11.683 -6.820 -0.247 1.00 0.00 H new ATOM 0 HB THR A 68 14.062 -7.811 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.860 -6.790 0.960 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.823 -6.074 -0.954 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.801 -5.903 -2.401 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.561 -4.820 -1.009 1.00 0.00 H new ATOM 520 N CYS A 69 11.659 -4.352 -0.567 1.00 0.00 N ATOM 521 CA CYS A 69 11.473 -2.897 -0.775 1.00 0.00 C ATOM 522 C CYS A 69 12.830 -2.166 -0.490 1.00 0.00 C ATOM 523 O CYS A 69 13.353 -2.220 0.629 1.00 0.00 O ATOM 524 CB CYS A 69 10.280 -2.441 0.079 1.00 0.00 C ATOM 525 SG CYS A 69 9.776 -0.806 -0.491 1.00 0.00 S ATOM 0 H CYS A 69 11.512 -4.657 0.395 1.00 0.00 H new ATOM 0 HA CYS A 69 11.221 -2.640 -1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.455 -3.147 -0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.557 -2.408 1.133 1.00 0.00 H new ATOM 526 N GLU A 70 13.393 -1.458 -1.474 1.00 0.00 N ATOM 527 CA GLU A 70 14.742 -0.832 -1.353 1.00 0.00 C ATOM 528 C GLU A 70 14.628 0.665 -0.901 1.00 0.00 C ATOM 529 O GLU A 70 14.694 1.602 -1.701 1.00 0.00 O ATOM 530 CB GLU A 70 15.386 -1.076 -2.747 1.00 0.00 C ATOM 531 CG GLU A 70 16.869 -0.666 -2.891 1.00 0.00 C ATOM 532 CD GLU A 70 17.480 -1.083 -4.225 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.031 -0.328 -5.264 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.268 -2.012 -4.353 1.00 0.00 O ATOM 0 H GLU A 70 12.943 -1.295 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 70 15.376 -1.258 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.298 -2.136 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.806 -0.533 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.953 0.415 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.443 -1.113 -2.080 1.00 0.00 H new ATOM 625 N PHE A 84 9.721 7.013 -2.831 1.00 0.00 N ATOM 626 CA PHE A 84 9.570 5.713 -2.112 1.00 0.00 C ATOM 627 C PHE A 84 10.617 4.655 -2.580 1.00 0.00 C ATOM 628 O PHE A 84 11.226 4.754 -3.651 1.00 0.00 O ATOM 629 CB PHE A 84 8.092 5.238 -2.297 1.00 0.00 C ATOM 630 CG PHE A 84 7.018 6.177 -1.707 1.00 0.00 C ATOM 631 CD1 PHE A 84 6.847 6.279 -0.322 1.00 0.00 C ATOM 632 CD2 PHE A 84 6.315 7.046 -2.550 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.019 7.263 0.212 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.468 8.012 -2.016 1.00 0.00 C ATOM 635 CZ PHE A 84 5.343 8.138 -0.635 1.00 0.00 C ATOM 0 HA PHE A 84 9.775 5.844 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.898 5.115 -3.363 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.983 4.255 -1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.359 5.592 0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.431 6.966 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.901 7.348 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 84 4.908 8.663 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.720 8.916 -0.219 1.00 0.00 H new ATOM 636 N GLY A 85 10.828 3.616 -1.750 1.00 0.00 N ATOM 637 CA GLY A 85 11.757 2.507 -2.104 1.00 0.00 C ATOM 638 C GLY A 85 11.313 1.611 -3.279 1.00 0.00 C ATOM 639 O GLY A 85 10.130 1.539 -3.600 1.00 0.00 O ATOM 0 H GLY A 85 10.378 3.514 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.730 2.936 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.895 1.879 -1.224 1.00 0.00 H new ATOM 640 N ILE A 86 12.249 0.923 -3.932 1.00 0.00 N ATOM 641 CA ILE A 86 11.939 0.164 -5.188 1.00 0.00 C ATOM 642 C ILE A 86 11.866 -1.380 -4.907 1.00 0.00 C ATOM 643 O ILE A 86 12.682 -1.945 -4.176 1.00 0.00 O ATOM 644 CB ILE A 86 12.983 0.541 -6.305 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.116 2.066 -6.617 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.643 -0.165 -7.640 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.882 2.746 -7.243 1.00 0.00 C ATOM 0 H ILE A 86 13.223 0.863 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 86 10.953 0.448 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 86 13.932 0.207 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.359 2.585 -5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.962 2.205 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.379 0.111 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.660 -1.245 -7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.651 0.141 -7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.095 3.801 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.645 2.266 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.032 2.652 -6.567 1.00 0.00 H new ATOM 648 N CYS A 87 10.911 -2.082 -5.533 1.00 0.00 N ATOM 649 CA CYS A 87 10.800 -3.557 -5.450 1.00 0.00 C ATOM 650 C CYS A 87 11.914 -4.312 -6.250 1.00 0.00 C ATOM 651 O CYS A 87 12.060 -4.106 -7.457 1.00 0.00 O ATOM 652 CB CYS A 87 9.401 -3.883 -5.984 1.00 0.00 C ATOM 653 SG CYS A 87 8.113 -3.293 -4.872 1.00 0.00 S ATOM 0 H CYS A 87 10.191 -1.650 -6.112 1.00 0.00 H new ATOM 0 HA CYS A 87 10.942 -3.894 -4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.271 -3.429 -6.966 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.303 -4.961 -6.116 1.00 0.00 H new ATOM 654 N HIS A 88 12.702 -5.182 -5.601 1.00 0.00 N ATOM 655 CA HIS A 88 13.735 -6.007 -6.288 1.00 0.00 C ATOM 656 C HIS A 88 13.649 -7.489 -5.815 1.00 0.00 C ATOM 657 O HIS A 88 13.283 -7.801 -4.679 1.00 0.00 O ATOM 658 CB HIS A 88 15.138 -5.411 -6.039 1.00 0.00 C ATOM 659 CG HIS A 88 15.470 -4.178 -6.886 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.001 -4.279 -8.165 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.125 -2.844 -6.604 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.939 -2.961 -8.539 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.469 -2.023 -7.663 1.00 0.00 N ATOM 0 H HIS A 88 12.651 -5.341 -4.595 1.00 0.00 H new ATOM 0 HA HIS A 88 13.550 -5.994 -7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.223 -5.145 -4.985 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.885 -6.181 -6.234 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.658 -2.508 -5.690 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.262 -2.664 -9.526 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.394 -1.011 -7.762 1.00 0.00 H new ATOM 664 N ASN A 89 14.043 -8.417 -6.691 1.00 0.00 N ATOM 665 CA ASN A 89 13.907 -9.875 -6.435 1.00 0.00 C ATOM 666 C ASN A 89 15.215 -10.467 -5.828 1.00 0.00 C ATOM 667 O ASN A 89 16.323 -10.291 -6.341 1.00 0.00 O ATOM 668 CB ASN A 89 13.515 -10.505 -7.788 1.00 0.00 C ATOM 669 CG ASN A 89 12.960 -11.929 -7.727 1.00 0.00 C ATOM 670 OD1 ASN A 89 12.732 -12.523 -6.680 1.00 0.00 O ATOM 671 ND2 ASN A 89 12.701 -12.520 -8.863 1.00 0.00 N ATOM 0 H ASN A 89 14.463 -8.194 -7.593 1.00 0.00 H new ATOM 0 HA ASN A 89 13.142 -10.093 -5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.770 -9.866 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.393 -10.505 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.314 -13.464 -8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.886 -12.038 -9.743 1.00 0.00 H new ATOM 672 N VAL A 90 15.038 -11.156 -4.699 1.00 0.00 N ATOM 673 CA VAL A 90 16.169 -11.700 -3.876 1.00 0.00 C ATOM 674 C VAL A 90 15.926 -13.091 -3.179 1.00 0.00 C ATOM 675 O VAL A 90 16.893 -13.722 -2.744 1.00 0.00 O ATOM 676 CB VAL A 90 16.596 -10.552 -2.883 1.00 0.00 C ATOM 677 CG1 VAL A 90 15.624 -10.264 -1.714 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.021 -10.727 -2.320 1.00 0.00 C ATOM 0 H VAL A 90 14.117 -11.363 -4.313 1.00 0.00 H new ATOM 0 HA VAL A 90 16.985 -11.966 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 90 16.563 -9.680 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 90 16.023 -9.457 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.653 -9.971 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.511 -11.161 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.249 -9.903 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.084 -11.670 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 90 18.738 -10.733 -3.141 1.00 0.00 H new