USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 583 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 67 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.974 X(o=-0.97,f=-0.65) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.34) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ -148:sc= -0.141 (180deg=-0.895) USER MOD Single : A 17 LYS NZ :NH3+ -134:sc= -8.65! (180deg=-12.5!) USER MOD Single : A 21 ASN : amide:sc= 0.0271 K(o=0.027,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 171:sc= -0.502 USER MOD Single : A 33 ASN : amide:sc= -1.01 K(o=-1,f=-5.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 129:sc= 0.562 USER MOD Single : A 36 SER OG : rot 0:sc= 0.895 USER MOD Single : A 38 SER OG : rot -44:sc= 1.14 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 46 ASN : amide:sc= -4.46! C(o=-4.5!,f=-9.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.414 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -113:sc= 0.23 (180deg=-0.229) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -23.279 -4.392 5.007 1.00 0.00 N ATOM 2 CA ILE A -2 -23.422 -2.914 5.058 1.00 0.00 C ATOM 3 C ILE A -2 -24.619 -2.451 4.236 1.00 0.00 C ATOM 4 O ILE A -2 -25.561 -1.864 4.768 1.00 0.00 O ATOM 5 CB ILE A -2 -22.153 -2.209 4.538 1.00 0.00 C ATOM 6 CG1 ILE A -2 -20.912 -2.751 5.251 1.00 0.00 C ATOM 7 CG2 ILE A -2 -22.264 -0.703 4.728 1.00 0.00 C ATOM 8 CD1 ILE A -2 -20.859 -2.410 6.726 1.00 0.00 C ATOM 0 H1 ILE A -2 -22.881 -4.733 5.905 1.00 0.00 H new ATOM 0 H2 ILE A -2 -24.212 -4.826 4.854 1.00 0.00 H new ATOM 0 H3 ILE A -2 -22.644 -4.653 4.226 1.00 0.00 H new ATOM 0 HA ILE A -2 -23.576 -2.646 6.103 1.00 0.00 H new ATOM 0 HB ILE A -2 -22.055 -2.414 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -20.882 -3.835 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -20.022 -2.354 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -21.360 -0.222 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -23.127 -0.329 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -22.385 -0.478 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -19.952 -2.827 7.164 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -20.856 -1.327 6.849 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -21.730 -2.830 7.228 1.00 0.00 H new ATOM 22 N SER A -1 -24.577 -2.716 2.935 1.00 0.00 N ATOM 23 CA SER A -1 -25.659 -2.320 2.043 1.00 0.00 C ATOM 24 C SER A -1 -25.814 -3.311 0.893 1.00 0.00 C ATOM 25 O SER A -1 -26.927 -3.709 0.550 1.00 0.00 O ATOM 26 CB SER A -1 -25.404 -0.915 1.494 1.00 0.00 C ATOM 27 OG SER A -1 -24.033 -0.569 1.593 1.00 0.00 O ATOM 0 H SER A -1 -23.807 -3.202 2.476 1.00 0.00 H new ATOM 0 HA SER A -1 -26.586 -2.317 2.617 1.00 0.00 H new ATOM 0 HB2 SER A -1 -25.720 -0.865 0.452 1.00 0.00 H new ATOM 0 HB3 SER A -1 -26.005 -0.192 2.044 1.00 0.00 H new ATOM 0 HG SER A -1 -23.896 0.333 1.234 1.00 0.00 H new ATOM 33 N SER A 2 -24.691 -3.703 0.299 1.00 0.00 N ATOM 34 CA SER A 2 -24.702 -4.646 -0.814 1.00 0.00 C ATOM 35 C SER A 2 -23.872 -5.885 -0.482 1.00 0.00 C ATOM 36 O SER A 2 -22.809 -5.781 0.130 1.00 0.00 O ATOM 37 CB SER A 2 -24.155 -3.977 -2.076 1.00 0.00 C ATOM 38 OG SER A 2 -22.777 -3.674 -1.936 1.00 0.00 O ATOM 0 H SER A 2 -23.762 -3.382 0.570 1.00 0.00 H new ATOM 0 HA SER A 2 -25.732 -4.955 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.301 -4.635 -2.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.713 -3.063 -2.278 1.00 0.00 H new ATOM 0 HG SER A 2 -22.451 -3.249 -2.756 1.00 0.00 H new ATOM 44 N PRO A 3 -24.347 -7.084 -0.874 1.00 0.00 N ATOM 45 CA PRO A 3 -23.648 -8.333 -0.614 1.00 0.00 C ATOM 46 C PRO A 3 -22.702 -8.718 -1.743 1.00 0.00 C ATOM 47 O PRO A 3 -22.521 -9.898 -2.042 1.00 0.00 O ATOM 48 CB PRO A 3 -24.783 -9.349 -0.500 1.00 0.00 C ATOM 49 CG PRO A 3 -25.954 -8.751 -1.222 1.00 0.00 C ATOM 50 CD PRO A 3 -25.602 -7.328 -1.594 1.00 0.00 C ATOM 0 HA PRO A 3 -23.017 -8.271 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -24.498 -10.303 -0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -25.028 -9.544 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.187 -9.331 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -26.841 -8.770 -0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -25.475 -7.215 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -26.381 -6.629 -1.290 1.00 0.00 H new ATOM 58 N LYS A 4 -22.101 -7.714 -2.366 1.00 0.00 N ATOM 59 CA LYS A 4 -21.169 -7.942 -3.463 1.00 0.00 C ATOM 60 C LYS A 4 -19.794 -8.318 -2.928 1.00 0.00 C ATOM 61 O LYS A 4 -19.513 -8.140 -1.742 1.00 0.00 O ATOM 62 CB LYS A 4 -21.057 -6.692 -4.338 1.00 0.00 C ATOM 63 CG LYS A 4 -22.329 -6.365 -5.103 1.00 0.00 C ATOM 64 CD LYS A 4 -22.471 -7.229 -6.347 1.00 0.00 C ATOM 65 CE LYS A 4 -23.807 -7.954 -6.376 1.00 0.00 C ATOM 66 NZ LYS A 4 -24.934 -7.031 -6.689 1.00 0.00 N ATOM 0 H LYS A 4 -22.242 -6.732 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.551 -8.766 -4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.793 -5.842 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -20.241 -6.828 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -23.193 -6.514 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -22.323 -5.313 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -22.375 -6.606 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.661 -7.957 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -23.772 -8.750 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -23.984 -8.428 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -25.827 -7.564 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -24.984 -6.286 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -24.779 -6.598 -7.622 1.00 0.00 H new ATOM 80 N GLN A 5 -18.939 -8.829 -3.813 1.00 0.00 N ATOM 81 CA GLN A 5 -17.585 -9.224 -3.454 1.00 0.00 C ATOM 82 C GLN A 5 -16.985 -8.287 -2.407 1.00 0.00 C ATOM 83 O GLN A 5 -16.867 -8.646 -1.235 1.00 0.00 O ATOM 84 CB GLN A 5 -16.697 -9.246 -4.700 1.00 0.00 C ATOM 85 CG GLN A 5 -17.141 -8.302 -5.810 1.00 0.00 C ATOM 86 CD GLN A 5 -16.077 -7.284 -6.177 1.00 0.00 C ATOM 87 OE1 GLN A 5 -14.938 -7.640 -6.481 1.00 0.00 O ATOM 88 NE2 GLN A 5 -16.446 -6.008 -6.149 1.00 0.00 N ATOM 0 H GLN A 5 -19.168 -8.979 -4.796 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.634 -10.224 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -15.678 -8.990 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.670 -10.262 -5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.400 -8.885 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.045 -7.779 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.401 -5.759 -5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.774 -5.278 -6.385 1.00 0.00 H new ATOM 97 N GLU A 6 -16.619 -7.083 -2.841 1.00 0.00 N ATOM 98 CA GLU A 6 -16.039 -6.080 -1.957 1.00 0.00 C ATOM 99 C GLU A 6 -15.431 -4.946 -2.770 1.00 0.00 C ATOM 100 O GLU A 6 -14.468 -5.147 -3.510 1.00 0.00 O ATOM 101 CB GLU A 6 -14.969 -6.692 -1.045 1.00 0.00 C ATOM 102 CG GLU A 6 -13.958 -7.559 -1.778 1.00 0.00 C ATOM 103 CD GLU A 6 -13.072 -8.346 -0.834 1.00 0.00 C ATOM 104 OE1 GLU A 6 -13.569 -8.773 0.229 1.00 0.00 O ATOM 105 OE2 GLU A 6 -11.879 -8.533 -1.155 1.00 0.00 O ATOM 0 H GLU A 6 -16.716 -6.778 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.841 -5.688 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.440 -5.889 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.459 -7.292 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.486 -8.250 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.336 -6.928 -2.413 1.00 0.00 H new ATOM 112 N GLU A 7 -16.006 -3.755 -2.633 1.00 0.00 N ATOM 113 CA GLU A 7 -15.529 -2.578 -3.350 1.00 0.00 C ATOM 114 C GLU A 7 -14.029 -2.385 -3.143 1.00 0.00 C ATOM 115 O GLU A 7 -13.354 -3.254 -2.600 1.00 0.00 O ATOM 116 CB GLU A 7 -16.284 -1.329 -2.884 1.00 0.00 C ATOM 117 CG GLU A 7 -16.864 -0.506 -4.025 1.00 0.00 C ATOM 118 CD GLU A 7 -16.162 0.829 -4.198 1.00 0.00 C ATOM 119 OE1 GLU A 7 -15.989 1.544 -3.188 1.00 0.00 O ATOM 120 OE2 GLU A 7 -15.783 1.158 -5.342 1.00 0.00 O ATOM 0 H GLU A 7 -16.808 -3.580 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.715 -2.732 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.092 -1.631 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.608 -0.702 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.790 -1.074 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.924 -0.333 -3.841 1.00 0.00 H new ATOM 127 N TYR A 8 -13.517 -1.236 -3.571 1.00 0.00 N ATOM 128 CA TYR A 8 -12.093 -0.923 -3.431 1.00 0.00 C ATOM 129 C TYR A 8 -11.544 -1.404 -2.085 1.00 0.00 C ATOM 130 O TYR A 8 -11.660 -0.712 -1.074 1.00 0.00 O ATOM 131 CB TYR A 8 -11.869 0.585 -3.573 1.00 0.00 C ATOM 132 CG TYR A 8 -10.511 0.950 -4.129 1.00 0.00 C ATOM 133 CD1 TYR A 8 -10.292 1.010 -5.500 1.00 0.00 C ATOM 134 CD2 TYR A 8 -9.447 1.237 -3.283 1.00 0.00 C ATOM 135 CE1 TYR A 8 -9.053 1.345 -6.011 1.00 0.00 C ATOM 136 CE2 TYR A 8 -8.205 1.573 -3.786 1.00 0.00 C ATOM 137 CZ TYR A 8 -8.013 1.626 -5.150 1.00 0.00 C ATOM 138 OH TYR A 8 -6.777 1.960 -5.655 1.00 0.00 O ATOM 0 H TYR A 8 -14.066 -0.502 -4.019 1.00 0.00 H new ATOM 0 HA TYR A 8 -11.557 -1.447 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.640 0.998 -4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.990 1.054 -2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.104 0.791 -6.177 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.593 1.197 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.900 1.387 -7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.389 1.793 -3.114 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.156 2.129 -4.916 1.00 0.00 H new ATOM 148 N GLU A 9 -10.943 -2.593 -2.086 1.00 0.00 N ATOM 149 CA GLU A 9 -10.371 -3.165 -0.868 1.00 0.00 C ATOM 150 C GLU A 9 -8.944 -2.677 -0.672 1.00 0.00 C ATOM 151 O GLU A 9 -8.004 -3.255 -1.216 1.00 0.00 O ATOM 152 CB GLU A 9 -10.372 -4.700 -0.910 1.00 0.00 C ATOM 153 CG GLU A 9 -11.521 -5.314 -1.694 1.00 0.00 C ATOM 154 CD GLU A 9 -11.221 -5.430 -3.177 1.00 0.00 C ATOM 155 OE1 GLU A 9 -10.361 -4.668 -3.670 1.00 0.00 O ATOM 156 OE2 GLU A 9 -11.844 -6.281 -3.846 1.00 0.00 O ATOM 0 H GLU A 9 -10.840 -3.178 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.993 -2.838 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.432 -5.038 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.405 -5.078 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.741 -6.304 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.416 -4.707 -1.555 1.00 0.00 H new ATOM 163 N VAL A 10 -8.786 -1.613 0.109 1.00 0.00 N ATOM 164 CA VAL A 10 -7.466 -1.045 0.382 1.00 0.00 C ATOM 165 C VAL A 10 -6.650 -0.887 -0.901 1.00 0.00 C ATOM 166 O VAL A 10 -7.141 -1.131 -2.003 1.00 0.00 O ATOM 167 CB VAL A 10 -6.671 -1.911 1.399 1.00 0.00 C ATOM 168 CG1 VAL A 10 -7.605 -2.507 2.434 1.00 0.00 C ATOM 169 CG2 VAL A 10 -5.880 -3.029 0.723 1.00 0.00 C ATOM 0 H VAL A 10 -9.556 -1.124 0.566 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.633 -0.060 0.817 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.957 -1.246 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.031 -3.110 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.111 -1.705 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.345 -3.135 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.343 -3.603 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.565 -3.686 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.167 -2.597 0.021 1.00 0.00 H new ATOM 179 N GLU A 11 -5.395 -0.501 -0.738 1.00 0.00 N ATOM 180 CA GLU A 11 -4.488 -0.338 -1.862 1.00 0.00 C ATOM 181 C GLU A 11 -3.287 -1.260 -1.671 1.00 0.00 C ATOM 182 O GLU A 11 -3.327 -2.170 -0.843 1.00 0.00 O ATOM 183 CB GLU A 11 -4.042 1.123 -2.000 1.00 0.00 C ATOM 184 CG GLU A 11 -3.859 1.843 -0.674 1.00 0.00 C ATOM 185 CD GLU A 11 -2.567 2.630 -0.617 1.00 0.00 C ATOM 186 OE1 GLU A 11 -2.517 3.734 -1.202 1.00 0.00 O ATOM 187 OE2 GLU A 11 -1.604 2.139 0.009 1.00 0.00 O ATOM 0 H GLU A 11 -4.979 -0.293 0.170 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.005 -0.607 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.102 1.154 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.779 1.662 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.699 2.518 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.873 1.115 0.137 1.00 0.00 H new ATOM 194 N ARG A 12 -2.227 -1.043 -2.434 1.00 0.00 N ATOM 195 CA ARG A 12 -1.041 -1.879 -2.325 1.00 0.00 C ATOM 196 C ARG A 12 0.198 -1.008 -2.101 1.00 0.00 C ATOM 197 O ARG A 12 0.890 -0.614 -3.039 1.00 0.00 O ATOM 198 CB ARG A 12 -0.935 -2.770 -3.570 1.00 0.00 C ATOM 199 CG ARG A 12 -1.988 -3.870 -3.590 1.00 0.00 C ATOM 200 CD ARG A 12 -2.482 -4.152 -5.000 1.00 0.00 C ATOM 201 NE ARG A 12 -3.755 -4.871 -4.999 1.00 0.00 N ATOM 202 CZ ARG A 12 -3.894 -6.156 -5.327 1.00 0.00 C ATOM 203 NH1 ARG A 12 -2.840 -6.884 -5.679 1.00 0.00 N ATOM 204 NH2 ARG A 12 -5.094 -6.717 -5.296 1.00 0.00 N ATOM 0 H ARG A 12 -2.163 -0.301 -3.131 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.115 -2.537 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.040 -2.155 -4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.057 -3.220 -3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.570 -4.781 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.830 -3.579 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.597 -3.212 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.735 -4.738 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.593 -4.355 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.912 -6.461 -5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.959 -7.866 -5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.908 -6.166 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.204 -7.700 -5.546 1.00 0.00 H new ATOM 218 N ILE A 13 0.425 -0.685 -0.825 1.00 0.00 N ATOM 219 CA ILE A 13 1.521 0.177 -0.380 1.00 0.00 C ATOM 220 C ILE A 13 1.059 1.629 -0.397 1.00 0.00 C ATOM 221 O ILE A 13 0.816 2.198 -1.460 1.00 0.00 O ATOM 222 CB ILE A 13 2.812 0.079 -1.224 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.230 -1.362 -1.495 1.00 0.00 C ATOM 224 CG2 ILE A 13 3.941 0.803 -0.501 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.534 -2.146 -0.242 1.00 0.00 C ATOM 0 H ILE A 13 -0.159 -1.022 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 13 1.773 -0.172 0.621 1.00 0.00 H new ATOM 0 HB ILE A 13 2.606 0.544 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.435 -1.865 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.111 -1.362 -2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.854 0.736 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.673 1.851 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.105 0.341 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.824 -3.162 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.350 -1.666 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.648 -2.177 0.392 1.00 0.00 H new ATOM 237 N VAL A 14 0.928 2.224 0.781 1.00 0.00 N ATOM 238 CA VAL A 14 0.486 3.614 0.883 1.00 0.00 C ATOM 239 C VAL A 14 1.666 4.557 1.097 1.00 0.00 C ATOM 240 O VAL A 14 1.561 5.755 0.838 1.00 0.00 O ATOM 241 CB VAL A 14 -0.554 3.813 2.019 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.293 2.851 3.154 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.555 5.245 2.543 1.00 0.00 C ATOM 0 H VAL A 14 1.119 1.772 1.675 1.00 0.00 H new ATOM 0 HA VAL A 14 0.006 3.856 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.537 3.610 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.032 3.006 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.364 1.827 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.705 3.024 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.296 5.342 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.432 5.489 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.801 5.929 1.731 1.00 0.00 H new ATOM 253 N ASP A 15 2.790 4.021 1.559 1.00 0.00 N ATOM 254 CA ASP A 15 3.968 4.852 1.790 1.00 0.00 C ATOM 255 C ASP A 15 5.201 3.989 1.962 1.00 0.00 C ATOM 256 O ASP A 15 5.099 2.773 2.021 1.00 0.00 O ATOM 257 CB ASP A 15 3.772 5.735 3.021 1.00 0.00 C ATOM 258 CG ASP A 15 4.518 7.050 2.913 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.717 7.528 1.776 1.00 0.00 O ATOM 260 OD2 ASP A 15 4.903 7.603 3.965 1.00 0.00 O ATOM 0 H ASP A 15 2.911 3.032 1.778 1.00 0.00 H new ATOM 0 HA ASP A 15 4.107 5.493 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.709 5.934 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.112 5.199 3.907 1.00 0.00 H new ATOM 265 N GLU A 16 6.373 4.603 1.981 1.00 0.00 N ATOM 266 CA GLU A 16 7.603 3.837 2.099 1.00 0.00 C ATOM 267 C GLU A 16 8.717 4.651 2.753 1.00 0.00 C ATOM 268 O GLU A 16 8.835 5.857 2.538 1.00 0.00 O ATOM 269 CB GLU A 16 8.037 3.339 0.714 1.00 0.00 C ATOM 270 CG GLU A 16 7.326 4.040 -0.430 1.00 0.00 C ATOM 271 CD GLU A 16 7.508 5.546 -0.399 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.647 6.001 -0.162 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.512 6.269 -0.613 1.00 0.00 O ATOM 0 H GLU A 16 6.499 5.613 1.917 1.00 0.00 H new ATOM 0 HA GLU A 16 7.409 2.981 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.112 3.482 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.849 2.267 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.701 3.652 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.262 3.806 -0.389 1.00 0.00 H new ATOM 280 N LYS A 17 9.567 3.959 3.505 1.00 0.00 N ATOM 281 CA LYS A 17 10.712 4.571 4.152 1.00 0.00 C ATOM 282 C LYS A 17 11.998 3.976 3.614 1.00 0.00 C ATOM 283 O LYS A 17 12.276 2.775 3.803 1.00 0.00 O ATOM 284 CB LYS A 17 10.719 4.357 5.654 1.00 0.00 C ATOM 285 CG LYS A 17 10.014 5.444 6.451 1.00 0.00 C ATOM 286 CD LYS A 17 8.690 4.978 7.048 1.00 0.00 C ATOM 287 CE LYS A 17 8.601 3.464 7.200 1.00 0.00 C ATOM 288 NZ LYS A 17 8.192 2.801 5.925 1.00 0.00 N ATOM 0 H LYS A 17 9.477 2.958 3.680 1.00 0.00 H new ATOM 0 HA LYS A 17 10.641 5.638 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.247 3.399 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.753 4.288 5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.670 5.782 7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.833 6.302 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.555 5.443 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.872 5.322 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.567 3.073 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.884 3.219 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.451 2.098 6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.825 3.515 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.015 2.327 5.500 1.00 0.00 H new ATOM 302 N LEU A 18 12.781 4.831 2.984 1.00 0.00 N ATOM 303 CA LEU A 18 14.066 4.462 2.432 1.00 0.00 C ATOM 304 C LEU A 18 15.155 4.727 3.457 1.00 0.00 C ATOM 305 O LEU A 18 14.888 5.242 4.543 1.00 0.00 O ATOM 306 CB LEU A 18 14.371 5.247 1.150 1.00 0.00 C ATOM 307 CG LEU A 18 13.167 5.565 0.263 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.580 6.485 -0.876 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.553 4.283 -0.282 1.00 0.00 C ATOM 0 H LEU A 18 12.538 5.811 2.841 1.00 0.00 H new ATOM 0 HA LEU A 18 14.035 3.401 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.853 6.185 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.092 4.680 0.562 1.00 0.00 H new ATOM 0 HG LEU A 18 12.416 6.075 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.713 6.703 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.976 7.414 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.347 5.997 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.697 4.528 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.296 3.746 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.226 3.655 0.547 1.00 0.00 H new ATOM 321 N ASP A 19 16.385 4.418 3.088 1.00 0.00 N ATOM 322 CA ASP A 19 17.529 4.667 3.959 1.00 0.00 C ATOM 323 C ASP A 19 18.507 5.624 3.270 1.00 0.00 C ATOM 324 O ASP A 19 18.253 6.077 2.155 1.00 0.00 O ATOM 325 CB ASP A 19 18.223 3.350 4.309 1.00 0.00 C ATOM 326 CG ASP A 19 18.476 2.484 3.091 1.00 0.00 C ATOM 327 OD1 ASP A 19 18.256 2.968 1.961 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.897 1.321 3.267 1.00 0.00 O ATOM 0 H ASP A 19 16.622 3.994 2.191 1.00 0.00 H new ATOM 0 HA ASP A 19 17.181 5.127 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.171 3.563 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.610 2.798 5.022 1.00 0.00 H new ATOM 333 N ARG A 20 19.641 5.904 3.915 1.00 0.00 N ATOM 334 CA ARG A 20 20.656 6.785 3.317 1.00 0.00 C ATOM 335 C ARG A 20 21.273 6.121 2.080 1.00 0.00 C ATOM 336 O ARG A 20 22.017 6.743 1.320 1.00 0.00 O ATOM 337 CB ARG A 20 21.754 7.132 4.331 1.00 0.00 C ATOM 338 CG ARG A 20 22.134 5.986 5.257 1.00 0.00 C ATOM 339 CD ARG A 20 21.722 6.268 6.697 1.00 0.00 C ATOM 340 NE ARG A 20 20.384 6.855 6.786 1.00 0.00 N ATOM 341 CZ ARG A 20 19.295 6.190 7.171 1.00 0.00 C ATOM 342 NH1 ARG A 20 19.365 4.906 7.502 1.00 0.00 N ATOM 343 NH2 ARG A 20 18.127 6.816 7.226 1.00 0.00 N ATOM 0 H ARG A 20 19.881 5.542 4.838 1.00 0.00 H new ATOM 0 HA ARG A 20 20.164 7.711 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.643 7.457 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.422 7.977 4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.657 5.068 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.211 5.822 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.748 5.340 7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.444 6.944 7.154 1.00 0.00 H new ATOM 0 HE ARG A 20 20.278 7.838 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.260 4.417 7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.524 4.408 7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.065 7.802 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.291 6.311 7.520 1.00 0.00 H new ATOM 357 N ASN A 21 20.932 4.853 1.899 1.00 0.00 N ATOM 358 CA ASN A 21 21.396 4.066 0.787 1.00 0.00 C ATOM 359 C ASN A 21 20.499 4.311 -0.415 1.00 0.00 C ATOM 360 O ASN A 21 20.778 3.860 -1.526 1.00 0.00 O ATOM 361 CB ASN A 21 21.380 2.596 1.175 1.00 0.00 C ATOM 362 CG ASN A 21 22.420 2.264 2.219 1.00 0.00 C ATOM 363 OD1 ASN A 21 23.514 2.830 2.231 1.00 0.00 O ATOM 364 ND2 ASN A 21 22.079 1.341 3.107 1.00 0.00 N ATOM 0 H ASN A 21 20.317 4.344 2.534 1.00 0.00 H new ATOM 0 HA ASN A 21 22.415 4.352 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.392 2.334 1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.553 1.987 0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.735 1.072 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.161 0.900 3.057 1.00 0.00 H new ATOM 371 N GLY A 22 19.412 5.034 -0.168 1.00 0.00 N ATOM 372 CA GLY A 22 18.465 5.346 -1.202 1.00 0.00 C ATOM 373 C GLY A 22 17.560 4.176 -1.503 1.00 0.00 C ATOM 374 O GLY A 22 16.716 4.238 -2.397 1.00 0.00 O ATOM 0 H GLY A 22 19.175 5.412 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.863 6.202 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.998 5.636 -2.108 1.00 0.00 H new ATOM 378 N ALA A 23 17.742 3.107 -0.744 1.00 0.00 N ATOM 379 CA ALA A 23 16.975 1.915 -0.892 1.00 0.00 C ATOM 380 C ALA A 23 15.853 1.900 0.120 1.00 0.00 C ATOM 381 O ALA A 23 15.641 2.854 0.860 1.00 0.00 O ATOM 382 CB ALA A 23 17.882 0.710 -0.707 1.00 0.00 C ATOM 0 H ALA A 23 18.440 3.059 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 23 16.538 1.878 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.300 -0.204 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.673 0.731 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.325 0.738 0.288 1.00 0.00 H new ATOM 388 N VAL A 24 15.129 0.821 0.123 1.00 0.00 N ATOM 389 CA VAL A 24 13.997 0.665 1.012 1.00 0.00 C ATOM 390 C VAL A 24 14.452 0.277 2.408 1.00 0.00 C ATOM 391 O VAL A 24 15.648 0.166 2.672 1.00 0.00 O ATOM 392 CB VAL A 24 13.028 -0.383 0.429 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.589 -0.125 0.870 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.144 -0.370 -1.094 1.00 0.00 C ATOM 0 H VAL A 24 15.299 0.021 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 24 13.475 1.618 1.096 1.00 0.00 H new ATOM 0 HB VAL A 24 13.301 -1.368 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.935 -0.883 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.528 -0.168 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.275 0.861 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.463 -1.108 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.886 0.620 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.167 -0.613 -1.383 1.00 0.00 H new ATOM 404 N LYS A 25 13.491 0.042 3.279 1.00 0.00 N ATOM 405 CA LYS A 25 13.749 -0.357 4.644 1.00 0.00 C ATOM 406 C LYS A 25 12.436 -0.760 5.281 1.00 0.00 C ATOM 407 O LYS A 25 12.353 -1.756 5.998 1.00 0.00 O ATOM 408 CB LYS A 25 14.367 0.782 5.445 1.00 0.00 C ATOM 409 CG LYS A 25 15.872 0.892 5.282 1.00 0.00 C ATOM 410 CD LYS A 25 16.572 1.036 6.624 1.00 0.00 C ATOM 411 CE LYS A 25 16.653 -0.295 7.356 1.00 0.00 C ATOM 412 NZ LYS A 25 18.062 -0.699 7.618 1.00 0.00 N ATOM 0 H LYS A 25 12.499 0.124 3.054 1.00 0.00 H new ATOM 0 HA LYS A 25 14.453 -1.190 4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.907 1.722 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.133 0.642 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.248 0.008 4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.109 1.751 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.577 1.430 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.036 1.759 7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.114 -0.223 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.158 -1.065 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.074 -1.611 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.570 -0.792 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.527 0.024 8.204 1.00 0.00 H new ATOM 426 N LEU A 26 11.402 0.035 5.005 1.00 0.00 N ATOM 427 CA LEU A 26 10.074 -0.232 5.560 1.00 0.00 C ATOM 428 C LEU A 26 8.970 0.298 4.652 1.00 0.00 C ATOM 429 O LEU A 26 9.219 1.148 3.814 1.00 0.00 O ATOM 430 CB LEU A 26 9.963 0.449 6.921 1.00 0.00 C ATOM 431 CG LEU A 26 10.032 -0.479 8.127 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.465 0.298 9.362 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.685 -1.146 8.358 1.00 0.00 C ATOM 0 H LEU A 26 11.456 0.860 4.408 1.00 0.00 H new ATOM 0 HA LEU A 26 9.952 -1.311 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.762 1.186 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.021 0.995 6.959 1.00 0.00 H new ATOM 0 HG LEU A 26 10.770 -1.257 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.511 -0.375 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.449 0.735 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.746 1.092 9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.749 -1.806 9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.928 -0.383 8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.411 -1.727 7.478 1.00 0.00 H new ATOM 445 N TYR A 27 7.743 -0.197 4.818 1.00 0.00 N ATOM 446 CA TYR A 27 6.615 0.269 4.003 1.00 0.00 C ATOM 447 C TYR A 27 5.369 0.460 4.862 1.00 0.00 C ATOM 448 O TYR A 27 5.184 -0.223 5.869 1.00 0.00 O ATOM 449 CB TYR A 27 6.245 -0.732 2.901 1.00 0.00 C ATOM 450 CG TYR A 27 7.259 -0.895 1.798 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.349 0.028 0.770 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.084 -2.003 1.761 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.249 -0.142 -0.267 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.980 -2.197 0.731 1.00 0.00 C ATOM 455 CZ TYR A 27 9.063 -1.262 -0.285 1.00 0.00 C ATOM 456 OH TYR A 27 9.952 -1.447 -1.316 1.00 0.00 O ATOM 0 H TYR A 27 7.504 -0.914 5.502 1.00 0.00 H new ATOM 0 HA TYR A 27 6.937 1.210 3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.077 -1.705 3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.299 -0.422 2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.706 0.895 0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.026 -2.732 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.316 0.593 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.612 -3.072 0.718 1.00 0.00 H new ATOM 0 HH TYR A 27 10.544 -2.199 -1.106 1.00 0.00 H new ATOM 466 N ARG A 28 4.501 1.356 4.415 1.00 0.00 N ATOM 467 CA ARG A 28 3.238 1.629 5.079 1.00 0.00 C ATOM 468 C ARG A 28 2.098 1.112 4.226 1.00 0.00 C ATOM 469 O ARG A 28 2.020 1.432 3.024 1.00 0.00 O ATOM 470 CB ARG A 28 3.037 3.124 5.307 1.00 0.00 C ATOM 471 CG ARG A 28 1.711 3.464 5.973 1.00 0.00 C ATOM 472 CD ARG A 28 1.614 4.946 6.281 1.00 0.00 C ATOM 473 NE ARG A 28 0.245 5.440 6.174 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.159 6.615 6.652 1.00 0.00 C ATOM 475 NH1 ARG A 28 0.699 7.421 7.263 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.424 6.984 6.516 1.00 0.00 N ATOM 0 H ARG A 28 4.656 1.916 3.577 1.00 0.00 H new ATOM 0 HA ARG A 28 3.255 1.128 6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.852 3.502 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.096 3.641 4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.888 3.171 5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.607 2.891 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.988 5.132 7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.254 5.501 5.595 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.443 4.850 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.674 7.142 7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.384 8.320 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.087 6.368 6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.735 7.884 6.882 1.00 0.00 H new ATOM 490 N ILE A 29 1.228 0.323 4.866 1.00 0.00 N ATOM 491 CA ILE A 29 0.060 -0.273 4.211 1.00 0.00 C ATOM 492 C ILE A 29 -1.241 0.165 4.891 1.00 0.00 C ATOM 493 O ILE A 29 -1.463 -0.132 6.063 1.00 0.00 O ATOM 494 CB ILE A 29 0.130 -1.813 4.252 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.480 -2.304 3.704 1.00 0.00 C ATOM 496 CG2 ILE A 29 -1.043 -2.425 3.493 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.489 -2.604 2.220 1.00 0.00 C ATOM 0 H ILE A 29 1.314 0.080 5.853 1.00 0.00 H new ATOM 0 HA ILE A 29 0.068 0.072 3.177 1.00 0.00 H new ATOM 0 HB ILE A 29 0.055 -2.140 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.238 -1.549 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.770 -3.205 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.975 -3.512 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.979 -2.102 3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.014 -2.098 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.481 -2.944 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.759 -3.383 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.233 -1.701 1.665 1.00 0.00 H new ATOM 509 N ARG A 30 -2.110 0.838 4.142 1.00 0.00 N ATOM 510 CA ARG A 30 -3.392 1.294 4.673 1.00 0.00 C ATOM 511 C ARG A 30 -4.483 0.246 4.464 1.00 0.00 C ATOM 512 O ARG A 30 -4.362 -0.634 3.612 1.00 0.00 O ATOM 513 CB ARG A 30 -3.801 2.612 4.012 1.00 0.00 C ATOM 514 CG ARG A 30 -5.001 3.280 4.667 1.00 0.00 C ATOM 515 CD ARG A 30 -4.979 4.787 4.461 1.00 0.00 C ATOM 516 NE ARG A 30 -6.105 5.246 3.651 1.00 0.00 N ATOM 517 CZ ARG A 30 -6.143 5.169 2.322 1.00 0.00 C ATOM 518 NH1 ARG A 30 -5.121 4.649 1.652 1.00 0.00 N ATOM 519 NH2 ARG A 30 -7.204 5.614 1.660 1.00 0.00 N ATOM 0 H ARG A 30 -1.950 1.080 3.164 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.272 1.452 5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.955 3.299 4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.028 2.426 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.920 2.868 4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.006 3.057 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.003 5.286 5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.045 5.073 3.978 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.909 5.649 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.303 4.307 2.155 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.155 4.592 0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.991 6.015 2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.232 5.554 0.642 1.00 0.00 H new ATOM 533 N TRP A 31 -5.547 0.344 5.262 1.00 0.00 N ATOM 534 CA TRP A 31 -6.673 -0.583 5.170 1.00 0.00 C ATOM 535 C TRP A 31 -7.875 -0.057 5.953 1.00 0.00 C ATOM 536 O TRP A 31 -8.084 -0.429 7.108 1.00 0.00 O ATOM 537 CB TRP A 31 -6.333 -2.012 5.651 1.00 0.00 C ATOM 538 CG TRP A 31 -4.919 -2.215 6.092 1.00 0.00 C ATOM 539 CD1 TRP A 31 -4.148 -1.319 6.747 1.00 0.00 C ATOM 540 CD2 TRP A 31 -4.120 -3.392 5.920 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.902 -1.849 6.987 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.862 -3.124 6.489 1.00 0.00 C ATOM 543 CE3 TRP A 31 -4.342 -4.640 5.332 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.830 -4.060 6.493 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -3.318 -5.569 5.336 1.00 0.00 C ATOM 546 CH2 TRP A 31 -2.075 -5.275 5.913 1.00 0.00 C ATOM 0 H TRP A 31 -5.652 1.059 5.982 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.917 -0.648 4.110 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.995 -2.267 6.479 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.549 -2.711 4.843 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.465 -0.329 7.040 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.134 -1.371 7.458 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.296 -4.875 4.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.872 -3.835 6.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.479 -6.538 4.887 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.295 -6.022 5.900 1.00 0.00 H new ATOM 557 N LEU A 32 -8.669 0.800 5.315 1.00 0.00 N ATOM 558 CA LEU A 32 -9.852 1.364 5.957 1.00 0.00 C ATOM 559 C LEU A 32 -11.041 0.408 5.841 1.00 0.00 C ATOM 560 O LEU A 32 -11.773 0.192 6.803 1.00 0.00 O ATOM 561 CB LEU A 32 -10.191 2.736 5.351 1.00 0.00 C ATOM 562 CG LEU A 32 -10.987 2.710 4.044 1.00 0.00 C ATOM 563 CD1 LEU A 32 -12.481 2.708 4.329 1.00 0.00 C ATOM 564 CD2 LEU A 32 -10.613 3.899 3.171 1.00 0.00 C ATOM 0 H LEU A 32 -8.515 1.118 4.358 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.634 1.503 7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.756 3.307 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.260 3.275 5.176 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.738 1.795 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.031 2.689 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.738 1.827 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.746 3.606 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.188 3.866 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.834 4.825 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.549 3.859 2.939 1.00 0.00 H new ATOM 576 N ASN A 33 -11.225 -0.173 4.661 1.00 0.00 N ATOM 577 CA ASN A 33 -12.323 -1.109 4.440 1.00 0.00 C ATOM 578 C ASN A 33 -12.370 -2.161 5.546 1.00 0.00 C ATOM 579 O ASN A 33 -13.443 -2.538 6.019 1.00 0.00 O ATOM 580 CB ASN A 33 -12.175 -1.790 3.079 1.00 0.00 C ATOM 581 CG ASN A 33 -12.451 -0.850 1.935 1.00 0.00 C ATOM 582 OD1 ASN A 33 -12.049 0.313 1.952 1.00 0.00 O ATOM 583 ND2 ASN A 33 -13.155 -1.354 0.936 1.00 0.00 N ATOM 0 H ASN A 33 -10.632 -0.014 3.846 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.257 -0.547 4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.165 -2.189 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.859 -2.637 3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.388 -0.772 0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.465 -2.325 0.970 1.00 0.00 H new ATOM 590 N TYR A 34 -11.195 -2.626 5.953 1.00 0.00 N ATOM 591 CA TYR A 34 -11.080 -3.642 6.998 1.00 0.00 C ATOM 592 C TYR A 34 -11.427 -3.084 8.380 1.00 0.00 C ATOM 593 O TYR A 34 -12.555 -3.228 8.852 1.00 0.00 O ATOM 594 CB TYR A 34 -9.657 -4.211 7.012 1.00 0.00 C ATOM 595 CG TYR A 34 -9.339 -5.129 5.845 1.00 0.00 C ATOM 596 CD1 TYR A 34 -10.259 -5.354 4.824 1.00 0.00 C ATOM 597 CD2 TYR A 34 -8.111 -5.770 5.766 1.00 0.00 C ATOM 598 CE1 TYR A 34 -9.960 -6.189 3.764 1.00 0.00 C ATOM 599 CE2 TYR A 34 -7.806 -6.606 4.709 1.00 0.00 C ATOM 600 CZ TYR A 34 -8.733 -6.812 3.712 1.00 0.00 C ATOM 601 OH TYR A 34 -8.432 -7.642 2.657 1.00 0.00 O ATOM 0 H TYR A 34 -10.301 -2.314 5.573 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.795 -4.432 6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.947 -3.384 7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.507 -4.760 7.942 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.223 -4.868 4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.380 -5.613 6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.685 -6.352 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.844 -7.096 4.665 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.527 -8.001 2.771 1.00 0.00 H new ATOM 611 N SER A 35 -10.443 -2.467 9.032 1.00 0.00 N ATOM 612 CA SER A 35 -10.631 -1.912 10.368 1.00 0.00 C ATOM 613 C SER A 35 -11.168 -0.483 10.321 1.00 0.00 C ATOM 614 O SER A 35 -11.773 -0.009 11.283 1.00 0.00 O ATOM 615 CB SER A 35 -9.307 -1.962 11.130 1.00 0.00 C ATOM 616 OG SER A 35 -8.587 -0.748 10.997 1.00 0.00 O ATOM 0 H SER A 35 -9.504 -2.339 8.653 1.00 0.00 H new ATOM 0 HA SER A 35 -11.375 -2.516 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.500 -2.159 12.185 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.702 -2.788 10.757 1.00 0.00 H new ATOM 0 HG SER A 35 -8.326 -0.424 11.884 1.00 0.00 H new ATOM 622 N SER A 36 -10.950 0.194 9.200 1.00 0.00 N ATOM 623 CA SER A 36 -11.422 1.564 9.023 1.00 0.00 C ATOM 624 C SER A 36 -10.738 2.533 9.984 1.00 0.00 C ATOM 625 O SER A 36 -11.184 3.669 10.143 1.00 0.00 O ATOM 626 CB SER A 36 -12.943 1.624 9.205 1.00 0.00 C ATOM 627 OG SER A 36 -13.385 2.952 9.424 1.00 0.00 O ATOM 0 H SER A 36 -10.448 -0.184 8.397 1.00 0.00 H new ATOM 0 HA SER A 36 -11.165 1.872 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.433 1.217 8.321 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.235 0.998 10.048 1.00 0.00 H new ATOM 0 HG SER A 36 -12.616 3.559 9.414 1.00 0.00 H new ATOM 633 N ARG A 37 -9.653 2.097 10.619 1.00 0.00 N ATOM 634 CA ARG A 37 -8.939 2.963 11.550 1.00 0.00 C ATOM 635 C ARG A 37 -7.497 2.513 11.769 1.00 0.00 C ATOM 636 O ARG A 37 -7.241 1.386 12.193 1.00 0.00 O ATOM 637 CB ARG A 37 -9.674 3.014 12.892 1.00 0.00 C ATOM 638 CG ARG A 37 -10.901 3.912 12.880 1.00 0.00 C ATOM 639 CD ARG A 37 -11.468 4.109 14.277 1.00 0.00 C ATOM 640 NE ARG A 37 -12.294 2.979 14.695 1.00 0.00 N ATOM 641 CZ ARG A 37 -11.858 1.970 15.447 1.00 0.00 C ATOM 642 NH1 ARG A 37 -10.600 1.937 15.873 1.00 0.00 N ATOM 643 NH2 ARG A 37 -12.685 0.985 15.773 1.00 0.00 N ATOM 0 H ARG A 37 -9.255 1.165 10.508 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.910 3.958 11.106 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.976 2.004 13.170 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.985 3.364 13.661 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.639 4.880 12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.664 3.476 12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.650 4.242 14.985 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.063 5.022 14.302 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.268 2.962 14.391 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.958 2.689 15.625 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.277 1.159 16.448 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.652 1.002 15.448 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.354 0.211 16.349 1.00 0.00 H new ATOM 657 N SER A 38 -6.563 3.426 11.505 1.00 0.00 N ATOM 658 CA SER A 38 -5.136 3.170 11.697 1.00 0.00 C ATOM 659 C SER A 38 -4.561 2.178 10.686 1.00 0.00 C ATOM 660 O SER A 38 -5.187 1.175 10.344 1.00 0.00 O ATOM 661 CB SER A 38 -4.878 2.659 13.118 1.00 0.00 C ATOM 662 OG SER A 38 -4.994 1.248 13.184 1.00 0.00 O ATOM 0 H SER A 38 -6.773 4.360 11.153 1.00 0.00 H new ATOM 0 HA SER A 38 -4.628 4.121 11.538 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.881 2.960 13.440 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.588 3.118 13.807 1.00 0.00 H new ATOM 0 HG SER A 38 -5.788 0.961 12.687 1.00 0.00 H new ATOM 668 N ASP A 39 -3.335 2.465 10.251 1.00 0.00 N ATOM 669 CA ASP A 39 -2.603 1.618 9.313 1.00 0.00 C ATOM 670 C ASP A 39 -1.394 1.034 10.032 1.00 0.00 C ATOM 671 O ASP A 39 -1.092 1.448 11.152 1.00 0.00 O ATOM 672 CB ASP A 39 -2.149 2.440 8.098 1.00 0.00 C ATOM 673 CG ASP A 39 -1.586 3.793 8.496 1.00 0.00 C ATOM 674 OD1 ASP A 39 -2.377 4.664 8.919 1.00 0.00 O ATOM 675 OD2 ASP A 39 -0.355 3.979 8.386 1.00 0.00 O ATOM 0 H ASP A 39 -2.820 3.296 10.541 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.249 0.815 8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.392 1.882 7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.993 2.584 7.424 1.00 0.00 H new ATOM 680 N THR A 40 -0.681 0.097 9.414 1.00 0.00 N ATOM 681 CA THR A 40 0.496 -0.482 10.050 1.00 0.00 C ATOM 682 C THR A 40 1.657 -0.536 9.069 1.00 0.00 C ATOM 683 O THR A 40 1.470 -0.413 7.857 1.00 0.00 O ATOM 684 CB THR A 40 0.204 -1.888 10.591 1.00 0.00 C ATOM 685 OG1 THR A 40 1.352 -2.716 10.501 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.929 -2.596 9.877 1.00 0.00 C ATOM 0 H THR A 40 -0.894 -0.273 8.487 1.00 0.00 H new ATOM 0 HA THR A 40 0.766 0.157 10.890 1.00 0.00 H new ATOM 0 HB THR A 40 -0.090 -1.730 11.629 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.142 -3.606 10.853 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.075 -3.583 10.316 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.845 -2.014 9.981 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.684 -2.701 8.820 1.00 0.00 H new ATOM 694 N TRP A 41 2.859 -0.703 9.605 1.00 0.00 N ATOM 695 CA TRP A 41 4.059 -0.753 8.794 1.00 0.00 C ATOM 696 C TRP A 41 4.662 -2.155 8.784 1.00 0.00 C ATOM 697 O TRP A 41 4.655 -2.866 9.790 1.00 0.00 O ATOM 698 CB TRP A 41 5.088 0.256 9.317 1.00 0.00 C ATOM 699 CG TRP A 41 4.547 1.651 9.428 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.661 2.118 10.354 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.854 2.757 8.574 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.397 3.449 10.126 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.122 3.865 9.038 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.678 2.912 7.462 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.194 5.115 8.423 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.753 4.149 6.850 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.014 5.239 7.332 1.00 0.00 C ATOM 0 H TRP A 41 3.025 -0.806 10.606 1.00 0.00 H new ATOM 0 HA TRP A 41 3.786 -0.494 7.771 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.440 -0.069 10.296 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.952 0.261 8.653 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.230 1.529 11.150 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.765 4.031 10.676 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.250 2.078 7.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.624 5.954 8.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.390 4.278 5.988 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.093 6.194 6.834 1.00 0.00 H new ATOM 718 N GLU A 42 5.205 -2.521 7.637 1.00 0.00 N ATOM 719 CA GLU A 42 5.844 -3.803 7.440 1.00 0.00 C ATOM 720 C GLU A 42 7.072 -3.661 6.546 1.00 0.00 C ATOM 721 O GLU A 42 7.066 -2.871 5.608 1.00 0.00 O ATOM 722 CB GLU A 42 4.875 -4.790 6.806 1.00 0.00 C ATOM 723 CG GLU A 42 3.410 -4.379 6.867 1.00 0.00 C ATOM 724 CD GLU A 42 2.477 -5.560 6.702 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.532 -6.211 5.633 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.696 -5.837 7.641 1.00 0.00 O ATOM 0 H GLU A 42 5.213 -1.927 6.808 1.00 0.00 H new ATOM 0 HA GLU A 42 6.153 -4.176 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.154 -4.931 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.987 -5.755 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.211 -3.891 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.207 -3.646 6.086 1.00 0.00 H new ATOM 733 N PRO A 43 8.145 -4.428 6.808 1.00 0.00 N ATOM 734 CA PRO A 43 9.359 -4.367 5.998 1.00 0.00 C ATOM 735 C PRO A 43 9.195 -5.049 4.638 1.00 0.00 C ATOM 736 O PRO A 43 8.267 -5.829 4.427 1.00 0.00 O ATOM 737 CB PRO A 43 10.419 -5.086 6.836 1.00 0.00 C ATOM 738 CG PRO A 43 9.750 -5.479 8.120 1.00 0.00 C ATOM 739 CD PRO A 43 8.264 -5.406 7.890 1.00 0.00 C ATOM 0 HA PRO A 43 9.624 -3.335 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.799 -5.963 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.272 -4.434 7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.044 -6.486 8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.047 -4.811 8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.852 -6.374 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.733 -5.084 8.785 1.00 0.00 H new ATOM 747 N PRO A 44 10.110 -4.754 3.697 1.00 0.00 N ATOM 748 CA PRO A 44 10.086 -5.305 2.324 1.00 0.00 C ATOM 749 C PRO A 44 10.201 -6.826 2.251 1.00 0.00 C ATOM 750 O PRO A 44 9.464 -7.490 1.523 1.00 0.00 O ATOM 751 CB PRO A 44 11.319 -4.668 1.691 1.00 0.00 C ATOM 752 CG PRO A 44 11.519 -3.430 2.473 1.00 0.00 C ATOM 753 CD PRO A 44 11.248 -3.843 3.881 1.00 0.00 C ATOM 0 HA PRO A 44 9.137 -5.088 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.186 -5.326 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.160 -4.452 0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.532 -3.045 2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.840 -2.641 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.104 -4.341 4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.997 -2.995 4.518 1.00 0.00 H new ATOM 761 N GLU A 45 11.167 -7.354 2.970 1.00 0.00 N ATOM 762 CA GLU A 45 11.438 -8.798 2.980 1.00 0.00 C ATOM 763 C GLU A 45 10.179 -9.645 3.219 1.00 0.00 C ATOM 764 O GLU A 45 10.105 -10.787 2.764 1.00 0.00 O ATOM 765 CB GLU A 45 12.495 -9.126 4.034 1.00 0.00 C ATOM 766 CG GLU A 45 13.787 -8.348 3.850 1.00 0.00 C ATOM 767 CD GLU A 45 14.830 -9.129 3.076 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.450 -9.854 2.132 1.00 0.00 O ATOM 769 OE2 GLU A 45 16.028 -9.014 3.412 1.00 0.00 O ATOM 0 H GLU A 45 11.791 -6.809 3.565 1.00 0.00 H new ATOM 0 HA GLU A 45 11.808 -9.055 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.089 -8.915 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.713 -10.193 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.574 -7.415 3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.189 -8.081 4.827 1.00 0.00 H new ATOM 776 N ASN A 46 9.193 -9.093 3.921 1.00 0.00 N ATOM 777 CA ASN A 46 7.961 -9.800 4.199 1.00 0.00 C ATOM 778 C ASN A 46 7.053 -9.761 2.988 1.00 0.00 C ATOM 779 O ASN A 46 6.180 -10.612 2.822 1.00 0.00 O ATOM 780 CB ASN A 46 7.229 -9.168 5.376 1.00 0.00 C ATOM 781 CG ASN A 46 8.140 -8.687 6.488 1.00 0.00 C ATOM 782 OD1 ASN A 46 9.346 -8.522 6.304 1.00 0.00 O ATOM 783 ND2 ASN A 46 7.552 -8.449 7.655 1.00 0.00 N ATOM 0 H ASN A 46 9.231 -8.150 4.308 1.00 0.00 H new ATOM 0 HA ASN A 46 8.215 -10.832 4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.641 -8.325 5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.527 -9.894 5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.104 -8.115 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.549 -8.600 7.761 1.00 0.00 H new ATOM 790 N LEU A 47 7.267 -8.763 2.141 1.00 0.00 N ATOM 791 CA LEU A 47 6.472 -8.618 0.940 1.00 0.00 C ATOM 792 C LEU A 47 7.006 -9.515 -0.155 1.00 0.00 C ATOM 793 O LEU A 47 6.837 -9.228 -1.340 1.00 0.00 O ATOM 794 CB LEU A 47 6.468 -7.191 0.422 1.00 0.00 C ATOM 795 CG LEU A 47 6.896 -6.098 1.394 1.00 0.00 C ATOM 796 CD1 LEU A 47 7.142 -4.817 0.633 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.851 -5.868 2.469 1.00 0.00 C ATOM 0 H LEU A 47 7.983 -8.047 2.267 1.00 0.00 H new ATOM 0 HA LEU A 47 5.453 -8.898 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.123 -7.145 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.461 -6.960 0.075 1.00 0.00 H new ATOM 0 HG LEU A 47 7.814 -6.420 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.448 -4.034 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.929 -4.977 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.226 -4.514 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.190 -5.082 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.912 -5.567 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.699 -6.789 3.032 1.00 0.00 H new ATOM 809 N SER A 48 7.613 -10.620 0.235 1.00 0.00 N ATOM 810 CA SER A 48 8.129 -11.587 -0.730 1.00 0.00 C ATOM 811 C SER A 48 7.010 -12.553 -1.137 1.00 0.00 C ATOM 812 O SER A 48 7.259 -13.695 -1.522 1.00 0.00 O ATOM 813 CB SER A 48 9.301 -12.365 -0.130 1.00 0.00 C ATOM 814 OG SER A 48 8.856 -13.268 0.867 1.00 0.00 O ATOM 0 H SER A 48 7.763 -10.875 1.211 1.00 0.00 H new ATOM 0 HA SER A 48 8.484 -11.053 -1.612 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.819 -12.913 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.021 -11.669 0.300 1.00 0.00 H new ATOM 0 HG SER A 48 9.624 -13.754 1.234 1.00 0.00 H new ATOM 820 N GLY A 49 5.777 -12.058 -1.046 1.00 0.00 N ATOM 821 CA GLY A 49 4.593 -12.825 -1.405 1.00 0.00 C ATOM 822 C GLY A 49 3.482 -11.913 -1.909 1.00 0.00 C ATOM 823 O GLY A 49 2.515 -12.367 -2.520 1.00 0.00 O ATOM 0 H GLY A 49 5.574 -11.113 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.847 -13.554 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.243 -13.386 -0.539 1.00 0.00 H new ATOM 827 N CYS A 50 3.651 -10.613 -1.659 1.00 0.00 N ATOM 828 CA CYS A 50 2.720 -9.581 -2.074 1.00 0.00 C ATOM 829 C CYS A 50 3.076 -9.083 -3.472 1.00 0.00 C ATOM 830 O CYS A 50 2.862 -7.921 -3.816 1.00 0.00 O ATOM 831 CB CYS A 50 2.867 -8.435 -1.114 1.00 0.00 C ATOM 832 SG CYS A 50 2.745 -8.893 0.633 1.00 0.00 S ATOM 0 H CYS A 50 4.457 -10.249 -1.152 1.00 0.00 H new ATOM 0 HA CYS A 50 1.704 -9.975 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.832 -7.958 -1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.100 -7.692 -1.335 1.00 0.00 H new ATOM 0 HG CYS A 50 2.888 -7.832 1.371 1.00 0.00 H new ATOM 838 N SER A 51 3.632 -9.983 -4.251 1.00 0.00 N ATOM 839 CA SER A 51 4.056 -9.699 -5.624 1.00 0.00 C ATOM 840 C SER A 51 3.075 -8.764 -6.331 1.00 0.00 C ATOM 841 O SER A 51 3.481 -7.806 -6.987 1.00 0.00 O ATOM 842 CB SER A 51 4.201 -11.001 -6.414 1.00 0.00 C ATOM 843 OG SER A 51 5.565 -11.316 -6.632 1.00 0.00 O ATOM 0 H SER A 51 3.809 -10.944 -3.957 1.00 0.00 H new ATOM 0 HA SER A 51 5.023 -9.198 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.719 -11.815 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.688 -10.908 -7.371 1.00 0.00 H new ATOM 0 HG SER A 51 5.631 -12.153 -7.137 1.00 0.00 H new ATOM 849 N ALA A 52 1.785 -9.038 -6.172 1.00 0.00 N ATOM 850 CA ALA A 52 0.752 -8.206 -6.777 1.00 0.00 C ATOM 851 C ALA A 52 0.763 -6.818 -6.147 1.00 0.00 C ATOM 852 O ALA A 52 0.862 -5.800 -6.840 1.00 0.00 O ATOM 853 CB ALA A 52 -0.615 -8.855 -6.613 1.00 0.00 C ATOM 0 H ALA A 52 1.431 -9.827 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 52 0.960 -8.108 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.376 -8.222 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.615 -9.831 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.834 -8.978 -5.552 1.00 0.00 H new ATOM 859 N VAL A 53 0.665 -6.788 -4.823 1.00 0.00 N ATOM 860 CA VAL A 53 0.668 -5.536 -4.078 1.00 0.00 C ATOM 861 C VAL A 53 1.887 -4.701 -4.446 1.00 0.00 C ATOM 862 O VAL A 53 1.773 -3.528 -4.832 1.00 0.00 O ATOM 863 CB VAL A 53 0.661 -5.811 -2.552 1.00 0.00 C ATOM 864 CG1 VAL A 53 0.543 -4.530 -1.738 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.460 -6.777 -2.190 1.00 0.00 C ATOM 0 H VAL A 53 0.582 -7.622 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.233 -4.982 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 53 1.619 -6.267 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.542 -4.773 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.388 -3.878 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.386 -4.020 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.451 -6.959 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.419 -6.345 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.314 -7.719 -2.719 1.00 0.00 H new ATOM 875 N LEU A 54 3.057 -5.317 -4.363 1.00 0.00 N ATOM 876 CA LEU A 54 4.284 -4.636 -4.721 1.00 0.00 C ATOM 877 C LEU A 54 4.189 -4.151 -6.153 1.00 0.00 C ATOM 878 O LEU A 54 4.734 -3.114 -6.500 1.00 0.00 O ATOM 879 CB LEU A 54 5.485 -5.575 -4.584 1.00 0.00 C ATOM 880 CG LEU A 54 5.825 -6.008 -3.160 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.076 -6.874 -3.154 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.010 -4.792 -2.266 1.00 0.00 C ATOM 0 H LEU A 54 3.179 -6.281 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 54 4.423 -3.791 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.296 -6.467 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.358 -5.084 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 54 4.997 -6.599 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.305 -7.175 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.907 -7.761 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.913 -6.307 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.252 -5.118 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.822 -4.176 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.089 -4.209 -2.249 1.00 0.00 H new ATOM 894 N ALA A 55 3.496 -4.927 -6.978 1.00 0.00 N ATOM 895 CA ALA A 55 3.333 -4.601 -8.383 1.00 0.00 C ATOM 896 C ALA A 55 2.566 -3.304 -8.598 1.00 0.00 C ATOM 897 O ALA A 55 2.964 -2.491 -9.442 1.00 0.00 O ATOM 898 CB ALA A 55 2.649 -5.747 -9.119 1.00 0.00 C ATOM 0 H ALA A 55 3.036 -5.792 -6.692 1.00 0.00 H new ATOM 0 HA ALA A 55 4.333 -4.453 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.534 -5.487 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.255 -6.649 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.667 -5.927 -8.681 1.00 0.00 H new ATOM 904 N GLU A 56 1.468 -3.078 -7.863 1.00 0.00 N ATOM 905 CA GLU A 56 0.733 -1.848 -8.075 1.00 0.00 C ATOM 906 C GLU A 56 1.600 -0.703 -7.595 1.00 0.00 C ATOM 907 O GLU A 56 1.658 0.352 -8.217 1.00 0.00 O ATOM 908 CB GLU A 56 -0.614 -1.834 -7.344 1.00 0.00 C ATOM 909 CG GLU A 56 -0.649 -0.897 -6.151 1.00 0.00 C ATOM 910 CD GLU A 56 -2.062 -0.614 -5.668 1.00 0.00 C ATOM 911 OE1 GLU A 56 -3.015 -1.174 -6.252 1.00 0.00 O ATOM 912 OE2 GLU A 56 -2.215 0.171 -4.709 1.00 0.00 O ATOM 0 H GLU A 56 1.092 -3.705 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 56 0.506 -1.753 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.396 -1.544 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.846 -2.845 -7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.071 -1.332 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.166 0.043 -6.418 1.00 0.00 H new ATOM 919 N TRP A 57 2.289 -0.930 -6.475 1.00 0.00 N ATOM 920 CA TRP A 57 3.156 0.092 -5.916 1.00 0.00 C ATOM 921 C TRP A 57 4.200 0.528 -6.940 1.00 0.00 C ATOM 922 O TRP A 57 4.250 1.700 -7.307 1.00 0.00 O ATOM 923 CB TRP A 57 3.823 -0.397 -4.628 1.00 0.00 C ATOM 924 CG TRP A 57 4.468 0.715 -3.865 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.758 0.771 -3.433 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.855 1.947 -3.464 1.00 0.00 C ATOM 927 NE1 TRP A 57 5.989 1.961 -2.809 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.839 2.702 -2.812 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.573 2.489 -3.602 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.586 3.970 -2.296 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.323 3.746 -3.088 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.327 4.475 -2.443 1.00 0.00 C ATOM 0 H TRP A 57 2.260 -1.803 -5.948 1.00 0.00 H new ATOM 0 HA TRP A 57 2.543 0.957 -5.664 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.078 -0.883 -3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.573 -1.149 -4.873 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.490 -0.012 -3.565 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.879 2.253 -2.404 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.793 1.934 -4.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.360 4.534 -1.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.336 4.173 -3.186 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.101 5.457 -2.054 1.00 0.00 H new ATOM 943 N LYS A 58 5.025 -0.408 -7.417 1.00 0.00 N ATOM 944 CA LYS A 58 6.046 -0.073 -8.411 1.00 0.00 C ATOM 945 C LYS A 58 5.431 0.724 -9.553 1.00 0.00 C ATOM 946 O LYS A 58 5.893 1.814 -9.885 1.00 0.00 O ATOM 947 CB LYS A 58 6.767 -1.306 -8.971 1.00 0.00 C ATOM 948 CG LYS A 58 6.088 -2.615 -8.686 1.00 0.00 C ATOM 949 CD LYS A 58 6.343 -3.628 -9.793 1.00 0.00 C ATOM 950 CE LYS A 58 6.656 -5.001 -9.225 1.00 0.00 C ATOM 951 NZ LYS A 58 7.991 -5.497 -9.662 1.00 0.00 N ATOM 0 H LYS A 58 5.007 -1.388 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 58 6.793 0.529 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.867 -1.192 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.776 -1.338 -8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.447 -3.013 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.015 -2.454 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.468 -3.691 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.174 -3.291 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.624 -4.958 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.887 -5.707 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.164 -6.437 -9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.014 -5.563 -10.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.728 -4.838 -9.340 1.00 0.00 H new ATOM 965 N ARG A 59 4.374 0.181 -10.150 1.00 0.00 N ATOM 966 CA ARG A 59 3.701 0.866 -11.244 1.00 0.00 C ATOM 967 C ARG A 59 3.326 2.288 -10.829 1.00 0.00 C ATOM 968 O ARG A 59 3.258 3.195 -11.658 1.00 0.00 O ATOM 969 CB ARG A 59 2.448 0.095 -11.659 1.00 0.00 C ATOM 970 CG ARG A 59 2.749 -1.208 -12.381 1.00 0.00 C ATOM 971 CD ARG A 59 1.543 -1.705 -13.160 1.00 0.00 C ATOM 972 NE ARG A 59 0.936 -2.881 -12.538 1.00 0.00 N ATOM 973 CZ ARG A 59 0.849 -4.077 -13.119 1.00 0.00 C ATOM 974 NH1 ARG A 59 1.337 -4.277 -14.339 1.00 0.00 N ATOM 975 NH2 ARG A 59 0.274 -5.083 -12.473 1.00 0.00 N ATOM 0 H ARG A 59 3.970 -0.721 -9.897 1.00 0.00 H new ATOM 0 HA ARG A 59 4.382 0.916 -12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.853 -0.120 -10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.840 0.727 -12.306 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.588 -1.063 -13.061 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.053 -1.964 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.802 -0.908 -13.229 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.845 -1.949 -14.179 1.00 0.00 H new ATOM 0 HE ARG A 59 0.554 -2.779 -11.598 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.784 -3.510 -14.841 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.264 -5.197 -14.773 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.100 -4.940 -11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.206 -6.000 -12.915 1.00 0.00 H new ATOM 989 N ARG A 60 3.076 2.463 -9.534 1.00 0.00 N ATOM 990 CA ARG A 60 2.686 3.757 -8.978 1.00 0.00 C ATOM 991 C ARG A 60 3.893 4.599 -8.572 1.00 0.00 C ATOM 992 O ARG A 60 3.821 5.826 -8.545 1.00 0.00 O ATOM 993 CB ARG A 60 1.775 3.543 -7.768 1.00 0.00 C ATOM 994 CG ARG A 60 0.294 3.583 -8.110 1.00 0.00 C ATOM 995 CD ARG A 60 -0.491 4.425 -7.115 1.00 0.00 C ATOM 996 NE ARG A 60 -1.221 3.601 -6.154 1.00 0.00 N ATOM 997 CZ ARG A 60 -2.267 4.031 -5.452 1.00 0.00 C ATOM 998 NH1 ARG A 60 -2.707 5.275 -5.594 1.00 0.00 N ATOM 999 NH2 ARG A 60 -2.876 3.212 -4.604 1.00 0.00 N ATOM 0 H ARG A 60 3.137 1.716 -8.843 1.00 0.00 H new ATOM 0 HA ARG A 60 2.154 4.303 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.009 2.581 -7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.989 4.309 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.163 3.989 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.104 2.568 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.192 5.085 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.193 5.061 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.911 2.640 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.243 5.909 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.509 5.597 -5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.542 2.255 -4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.678 3.540 -4.065 1.00 0.00 H new ATOM 1013 N LYS A 61 4.993 3.938 -8.237 1.00 0.00 N ATOM 1014 CA LYS A 61 6.208 4.640 -7.819 1.00 0.00 C ATOM 1015 C LYS A 61 6.557 5.757 -8.792 1.00 0.00 C ATOM 1016 O LYS A 61 7.161 6.760 -8.414 1.00 0.00 O ATOM 1017 CB LYS A 61 7.393 3.674 -7.707 1.00 0.00 C ATOM 1018 CG LYS A 61 7.376 2.824 -6.448 1.00 0.00 C ATOM 1019 CD LYS A 61 8.495 3.211 -5.494 1.00 0.00 C ATOM 1020 CE LYS A 61 8.369 4.657 -5.042 1.00 0.00 C ATOM 1021 NZ LYS A 61 7.232 4.851 -4.099 1.00 0.00 N ATOM 0 H LYS A 61 5.073 2.921 -8.245 1.00 0.00 H new ATOM 0 HA LYS A 61 6.009 5.073 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.398 3.017 -8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.320 4.247 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.415 2.936 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.475 1.772 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.476 2.554 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.458 3.065 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.296 4.968 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.231 5.298 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.503 5.439 -4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.826 3.926 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.572 5.323 -3.237 1.00 0.00 H new ATOM 1035 N ARG A 62 6.178 5.567 -10.044 1.00 0.00 N ATOM 1036 CA ARG A 62 6.453 6.552 -11.082 1.00 0.00 C ATOM 1037 C ARG A 62 5.583 7.782 -10.909 1.00 0.00 C ATOM 1038 O ARG A 62 6.064 8.915 -10.920 1.00 0.00 O ATOM 1039 CB ARG A 62 6.234 5.946 -12.473 1.00 0.00 C ATOM 1040 CG ARG A 62 6.684 4.496 -12.595 1.00 0.00 C ATOM 1041 CD ARG A 62 6.381 3.932 -13.975 1.00 0.00 C ATOM 1042 NE ARG A 62 4.944 3.890 -14.242 1.00 0.00 N ATOM 1043 CZ ARG A 62 4.394 3.217 -15.252 1.00 0.00 C ATOM 1044 NH1 ARG A 62 5.157 2.530 -16.093 1.00 0.00 N ATOM 1045 NH2 ARG A 62 3.077 3.232 -15.421 1.00 0.00 N ATOM 0 H ARG A 62 5.678 4.739 -10.369 1.00 0.00 H new ATOM 0 HA ARG A 62 7.497 6.852 -10.989 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.175 6.009 -12.723 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.771 6.545 -13.208 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.754 4.429 -12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.184 3.894 -11.837 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.874 4.541 -14.733 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.795 2.927 -14.056 1.00 0.00 H new ATOM 0 HE ARG A 62 4.325 4.407 -13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.169 2.516 -15.968 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.731 2.016 -16.865 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.486 3.759 -14.778 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.656 2.717 -16.194 1.00 0.00 H new ATOM 1059 N ARG A 63 4.299 7.542 -10.777 1.00 0.00 N ATOM 1060 CA ARG A 63 3.330 8.621 -10.625 1.00 0.00 C ATOM 1061 C ARG A 63 3.531 9.377 -9.315 1.00 0.00 C ATOM 1062 O ARG A 63 3.866 10.561 -9.324 1.00 0.00 O ATOM 1063 CB ARG A 63 1.905 8.066 -10.694 1.00 0.00 C ATOM 1064 CG ARG A 63 0.875 9.083 -11.159 1.00 0.00 C ATOM 1065 CD ARG A 63 1.297 9.754 -12.456 1.00 0.00 C ATOM 1066 NE ARG A 63 1.941 11.045 -12.215 1.00 0.00 N ATOM 1067 CZ ARG A 63 3.120 11.402 -12.726 1.00 0.00 C ATOM 1068 NH1 ARG A 63 3.794 10.577 -13.518 1.00 0.00 N ATOM 1069 NH2 ARG A 63 3.627 12.595 -12.442 1.00 0.00 N ATOM 0 H ARG A 63 3.892 6.607 -10.771 1.00 0.00 H new ATOM 0 HA ARG A 63 3.486 9.322 -11.445 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.890 7.211 -11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.620 7.698 -9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.087 8.589 -11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.735 9.839 -10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.982 9.101 -12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.424 9.897 -13.092 1.00 0.00 H new ATOM 0 HE ARG A 63 1.457 11.715 -11.618 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.411 9.659 -13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.695 10.862 -13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.115 13.235 -11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.528 12.872 -12.831 1.00 0.00 H new ATOM 1083 N LEU A 64 3.316 8.702 -8.187 1.00 0.00 N ATOM 1084 CA LEU A 64 3.461 9.331 -6.875 1.00 0.00 C ATOM 1085 C LEU A 64 4.795 10.055 -6.737 1.00 0.00 C ATOM 1086 O LEU A 64 5.860 9.456 -6.891 1.00 0.00 O ATOM 1087 CB LEU A 64 3.323 8.277 -5.773 1.00 0.00 C ATOM 1088 CG LEU A 64 3.166 8.824 -4.350 1.00 0.00 C ATOM 1089 CD1 LEU A 64 4.509 9.275 -3.798 1.00 0.00 C ATOM 1090 CD2 LEU A 64 2.165 9.969 -4.324 1.00 0.00 C ATOM 0 H LEU A 64 3.041 7.720 -8.155 1.00 0.00 H new ATOM 0 HA LEU A 64 2.669 10.074 -6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.460 7.651 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.201 7.632 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 64 2.787 8.023 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.376 9.660 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.196 8.429 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.919 10.060 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.067 10.344 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.513 10.772 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.196 9.613 -4.674 1.00 0.00 H new ATOM 1102 N LYS A 65 4.725 11.350 -6.437 1.00 0.00 N ATOM 1103 CA LYS A 65 5.922 12.167 -6.271 1.00 0.00 C ATOM 1104 C LYS A 65 6.631 12.359 -7.608 1.00 0.00 C ATOM 1105 O LYS A 65 6.613 13.448 -8.181 1.00 0.00 O ATOM 1106 CB LYS A 65 6.873 11.526 -5.255 1.00 0.00 C ATOM 1107 CG LYS A 65 7.202 12.428 -4.075 1.00 0.00 C ATOM 1108 CD LYS A 65 6.054 12.485 -3.079 1.00 0.00 C ATOM 1109 CE LYS A 65 6.277 11.532 -1.916 1.00 0.00 C ATOM 1110 NZ LYS A 65 5.620 12.014 -0.668 1.00 0.00 N ATOM 0 H LYS A 65 3.849 11.856 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 65 5.618 13.144 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.426 10.604 -4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.799 11.250 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.100 12.063 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.423 13.433 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.948 13.502 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.121 12.233 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.888 10.547 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.347 11.416 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.796 11.336 0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.009 12.942 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.596 12.100 -0.826 1.00 0.00 H new ATOM 1124 N GLY A 66 7.243 11.289 -8.103 1.00 0.00 N ATOM 1125 CA GLY A 66 7.941 11.356 -9.373 1.00 0.00 C ATOM 1126 C GLY A 66 9.279 12.060 -9.268 1.00 0.00 C ATOM 1127 O GLY A 66 9.342 13.290 -9.254 1.00 0.00 O ATOM 0 H GLY A 66 7.268 10.377 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.095 10.346 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.317 11.877 -10.099 1.00 0.00 H new ATOM 1131 N SER A 67 10.352 11.278 -9.196 1.00 0.00 N ATOM 1132 CA SER A 67 11.698 11.831 -9.095 1.00 0.00 C ATOM 1133 C SER A 67 12.699 10.956 -9.846 1.00 0.00 C ATOM 1134 O SER A 67 13.144 11.307 -10.939 1.00 0.00 O ATOM 1135 CB SER A 67 12.110 11.968 -7.627 1.00 0.00 C ATOM 1136 OG SER A 67 12.854 13.156 -7.414 1.00 0.00 O ATOM 0 H SER A 67 10.315 10.259 -9.206 1.00 0.00 H new ATOM 0 HA SER A 67 11.696 12.821 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.221 11.974 -6.996 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.706 11.104 -7.331 1.00 0.00 H new ATOM 0 HG SER A 67 13.104 13.221 -6.469 1.00 0.00 H new ATOM 1142 N ASN A 68 13.044 9.814 -9.259 1.00 0.00 N ATOM 1143 CA ASN A 68 13.993 8.897 -9.879 1.00 0.00 C ATOM 1144 C ASN A 68 14.125 7.615 -9.064 1.00 0.00 C ATOM 1145 O ASN A 68 14.131 6.514 -9.615 1.00 0.00 O ATOM 1146 CB ASN A 68 15.361 9.569 -10.016 1.00 0.00 C ATOM 1147 CG ASN A 68 15.972 9.915 -8.671 1.00 0.00 C ATOM 1148 OD1 ASN A 68 16.848 9.208 -8.173 1.00 0.00 O ATOM 1149 ND2 ASN A 68 15.508 11.008 -8.077 1.00 0.00 N ATOM 0 H ASN A 68 12.682 9.503 -8.358 1.00 0.00 H new ATOM 0 HA ASN A 68 13.618 8.638 -10.869 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.035 8.907 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.259 10.477 -10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.879 11.292 -7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.781 11.564 -8.528 1.00 0.00 H new ATOM 1156 N SER A 69 14.237 7.768 -7.749 1.00 0.00 N ATOM 1157 CA SER A 69 14.375 6.625 -6.854 1.00 0.00 C ATOM 1158 C SER A 69 13.010 6.038 -6.509 1.00 0.00 C ATOM 1159 O SER A 69 12.027 6.383 -7.198 1.00 0.00 O ATOM 1160 CB SER A 69 15.106 7.038 -5.575 1.00 0.00 C ATOM 1161 OG SER A 69 16.478 6.684 -5.633 1.00 0.00 O ATOM 1162 OXT SER A 69 12.935 5.238 -5.553 1.00 0.00 O ATOM 0 H SER A 69 14.235 8.673 -7.279 1.00 0.00 H new ATOM 0 HA SER A 69 14.960 5.861 -7.366 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.011 8.114 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.640 6.558 -4.715 1.00 0.00 H new ATOM 0 HG SER A 69 16.922 6.960 -4.804 1.00 0.00 H new TER 1168 SER A 69