USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 874 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 5 THR OG1 : rot 178:sc= 0.111 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -116:sc= 0.211 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ -168:sc= 0.952 (180deg=0.843) USER MOD Single : A 3 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.72) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 161:sc= 0.105 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.52) USER MOD Single : A 12 ASN : amide:sc= 0.524 K(o=0.52,f=-0.0036) USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 178:sc= 1.25 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.767 K(o=-0.77,f=-4.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.344 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.542 K(o=0.54,f=-5.6!) USER MOD Single : A 64 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.59) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.285 K(o=0.28,f=-4.7!) USER MOD Single : A 77 ASN : amide:sc= 0.468 K(o=0.47,f=-0.26) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc= 0.889 (180deg=0.882) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -153:sc= 0.213 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -12:sc= 0.0245 USER MOD Single : A 97 SER OG : rot 100:sc= 1.24 USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= 0.728 (180deg=0.432) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.096 USER MOD Single : A 105 LYS NZ :NH3+ 141:sc= 1.28 (180deg=0.844) USER MOD Single : A 108 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.021) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.682 -11.571 19.612 1.00 0.00 N ATOM 2 CA GLU A 1 -16.443 -10.760 18.392 1.00 0.00 C ATOM 3 C GLU A 1 -15.123 -11.186 17.749 1.00 0.00 C ATOM 4 O GLU A 1 -14.048 -10.978 18.313 1.00 0.00 O ATOM 5 CB GLU A 1 -16.457 -9.245 18.665 1.00 0.00 C ATOM 6 CG GLU A 1 -17.856 -8.728 19.020 1.00 0.00 C ATOM 7 CD GLU A 1 -17.856 -7.196 19.171 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.544 -6.692 20.277 1.00 0.00 O ATOM 9 OE2 GLU A 1 -18.175 -6.486 18.186 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.661 -11.431 19.935 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.529 -12.577 19.396 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.024 -11.274 20.361 1.00 0.00 H new ATOM 0 HA GLU A 1 -17.267 -10.949 17.704 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.771 -9.019 19.482 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -16.090 -8.717 17.785 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -18.563 -9.021 18.244 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -18.193 -9.189 19.949 1.00 0.00 H new ATOM 18 N GLU A 2 -15.203 -11.845 16.591 1.00 0.00 N ATOM 19 CA GLU A 2 -14.085 -12.530 15.927 1.00 0.00 C ATOM 20 C GLU A 2 -14.342 -12.690 14.417 1.00 0.00 C ATOM 21 O GLU A 2 -15.495 -12.660 13.970 1.00 0.00 O ATOM 22 CB GLU A 2 -13.828 -13.904 16.590 1.00 0.00 C ATOM 23 CG GLU A 2 -14.967 -14.943 16.514 1.00 0.00 C ATOM 24 CD GLU A 2 -16.240 -14.547 17.298 1.00 0.00 C ATOM 25 OE1 GLU A 2 -16.148 -14.156 18.488 1.00 0.00 O ATOM 26 OE2 GLU A 2 -17.354 -14.615 16.724 1.00 0.00 O ATOM 0 H GLU A 2 -16.076 -11.921 16.070 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.193 -11.914 16.044 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.940 -14.340 16.132 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.594 -13.734 17.641 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.232 -15.099 15.468 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.600 -15.896 16.896 1.00 0.00 H new ATOM 33 N LYS A 3 -13.273 -12.869 13.628 1.00 0.00 N ATOM 34 CA LYS A 3 -13.333 -13.047 12.164 1.00 0.00 C ATOM 35 C LYS A 3 -12.127 -13.800 11.590 1.00 0.00 C ATOM 36 O LYS A 3 -11.091 -13.938 12.244 1.00 0.00 O ATOM 37 CB LYS A 3 -13.544 -11.696 11.469 1.00 0.00 C ATOM 38 CG LYS A 3 -12.399 -10.694 11.665 1.00 0.00 C ATOM 39 CD LYS A 3 -12.867 -9.277 11.316 1.00 0.00 C ATOM 40 CE LYS A 3 -13.009 -8.989 9.811 1.00 0.00 C ATOM 41 NZ LYS A 3 -14.302 -9.457 9.236 1.00 0.00 N ATOM 0 H LYS A 3 -12.321 -12.895 13.994 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.194 -13.684 11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.680 -11.868 10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.467 -11.251 11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.052 -10.726 12.698 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.553 -10.970 11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.829 -9.100 11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.162 -8.563 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.913 -7.916 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.188 -9.469 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.117 -10.164 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.881 -9.884 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.811 -8.649 8.824 1.00 0.00 H new ATOM 55 N TYR A 4 -12.267 -14.263 10.350 1.00 0.00 N ATOM 56 CA TYR A 4 -11.244 -14.996 9.598 1.00 0.00 C ATOM 57 C TYR A 4 -10.198 -14.026 9.016 1.00 0.00 C ATOM 58 O TYR A 4 -10.446 -13.333 8.025 1.00 0.00 O ATOM 59 CB TYR A 4 -11.922 -15.857 8.516 1.00 0.00 C ATOM 60 CG TYR A 4 -12.604 -17.111 9.053 1.00 0.00 C ATOM 61 CD1 TYR A 4 -13.750 -17.016 9.872 1.00 0.00 C ATOM 62 CD2 TYR A 4 -12.073 -18.381 8.749 1.00 0.00 C ATOM 63 CE1 TYR A 4 -14.339 -18.176 10.411 1.00 0.00 C ATOM 64 CE2 TYR A 4 -12.676 -19.547 9.265 1.00 0.00 C ATOM 65 CZ TYR A 4 -13.807 -19.447 10.104 1.00 0.00 C ATOM 66 OH TYR A 4 -14.390 -20.567 10.617 1.00 0.00 O ATOM 0 H TYR A 4 -13.128 -14.134 9.819 1.00 0.00 H new ATOM 0 HA TYR A 4 -10.704 -15.667 10.266 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.662 -15.249 7.995 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -11.174 -16.151 7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -14.178 -16.048 10.086 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.200 -18.462 8.118 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.198 -18.093 11.060 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.272 -20.518 9.018 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.903 -21.360 10.309 1.00 0.00 H new ATOM 76 N THR A 5 -9.031 -13.957 9.662 1.00 0.00 N ATOM 77 CA THR A 5 -7.852 -13.179 9.221 1.00 0.00 C ATOM 78 C THR A 5 -7.302 -13.696 7.878 1.00 0.00 C ATOM 79 O THR A 5 -7.492 -14.863 7.531 1.00 0.00 O ATOM 80 CB THR A 5 -6.775 -13.234 10.326 1.00 0.00 C ATOM 81 OG1 THR A 5 -7.268 -12.585 11.482 1.00 0.00 O ATOM 82 CG2 THR A 5 -5.456 -12.529 10.007 1.00 0.00 C ATOM 0 H THR A 5 -8.867 -14.455 10.537 1.00 0.00 H new ATOM 0 HA THR A 5 -8.150 -12.143 9.057 1.00 0.00 H new ATOM 0 HB THR A 5 -6.571 -14.298 10.445 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.603 -12.645 12.199 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.775 -12.631 10.852 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.007 -12.980 9.122 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.645 -11.472 9.819 1.00 0.00 H new ATOM 90 N THR A 6 -6.589 -12.853 7.118 1.00 0.00 N ATOM 91 CA THR A 6 -5.800 -13.295 5.950 1.00 0.00 C ATOM 92 C THR A 6 -4.614 -14.172 6.386 1.00 0.00 C ATOM 93 O THR A 6 -3.667 -13.698 7.019 1.00 0.00 O ATOM 94 CB THR A 6 -5.382 -12.112 5.053 1.00 0.00 C ATOM 95 OG1 THR A 6 -4.803 -12.619 3.872 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.406 -11.099 5.661 1.00 0.00 C ATOM 0 H THR A 6 -6.540 -11.849 7.291 1.00 0.00 H new ATOM 0 HA THR A 6 -6.441 -13.921 5.329 1.00 0.00 H new ATOM 0 HB THR A 6 -6.306 -11.558 4.886 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.819 -11.928 3.177 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.191 -10.318 4.932 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.852 -10.653 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.480 -11.605 5.934 1.00 0.00 H new ATOM 104 N LYS A 7 -4.694 -15.480 6.106 1.00 0.00 N ATOM 105 CA LYS A 7 -3.670 -16.498 6.408 1.00 0.00 C ATOM 106 C LYS A 7 -3.655 -17.591 5.339 1.00 0.00 C ATOM 107 O LYS A 7 -4.596 -18.374 5.219 1.00 0.00 O ATOM 108 CB LYS A 7 -3.813 -17.088 7.834 1.00 0.00 C ATOM 109 CG LYS A 7 -5.202 -17.127 8.503 1.00 0.00 C ATOM 110 CD LYS A 7 -6.305 -17.923 7.783 1.00 0.00 C ATOM 111 CE LYS A 7 -6.041 -19.436 7.701 1.00 0.00 C ATOM 112 NZ LYS A 7 -6.124 -20.106 9.028 1.00 0.00 N ATOM 0 H LYS A 7 -5.510 -15.879 5.642 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.704 -15.994 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.436 -18.110 7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.150 -16.523 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.084 -17.542 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.549 -16.101 8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.251 -17.758 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.420 -17.531 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.763 -19.891 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.053 -19.606 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.938 -21.123 8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.417 -19.694 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.075 -19.970 9.427 1.00 0.00 H new ATOM 126 N TYR A 8 -2.574 -17.643 4.568 1.00 0.00 N ATOM 127 CA TYR A 8 -2.410 -18.564 3.439 1.00 0.00 C ATOM 128 C TYR A 8 -0.955 -19.044 3.375 1.00 0.00 C ATOM 129 O TYR A 8 -0.041 -18.228 3.271 1.00 0.00 O ATOM 130 CB TYR A 8 -2.833 -17.850 2.143 1.00 0.00 C ATOM 131 CG TYR A 8 -4.289 -17.410 2.112 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.288 -18.314 1.697 1.00 0.00 C ATOM 133 CD2 TYR A 8 -4.651 -16.107 2.513 1.00 0.00 C ATOM 134 CE1 TYR A 8 -6.637 -17.913 1.664 1.00 0.00 C ATOM 135 CE2 TYR A 8 -5.999 -15.699 2.474 1.00 0.00 C ATOM 136 CZ TYR A 8 -6.997 -16.602 2.047 1.00 0.00 C ATOM 137 OH TYR A 8 -8.304 -16.221 2.003 1.00 0.00 O ATOM 0 H TYR A 8 -1.768 -17.035 4.710 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.043 -19.442 3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.199 -16.975 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.650 -18.516 1.300 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.017 -19.318 1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.891 -15.419 2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.398 -18.609 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.269 -14.696 2.771 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.384 -15.290 2.299 1.00 0.00 H new ATOM 147 N ASP A 9 -0.742 -20.361 3.479 1.00 0.00 N ATOM 148 CA ASP A 9 0.578 -21.019 3.569 1.00 0.00 C ATOM 149 C ASP A 9 1.565 -20.335 4.552 1.00 0.00 C ATOM 150 O ASP A 9 2.740 -20.118 4.245 1.00 0.00 O ATOM 151 CB ASP A 9 1.137 -21.236 2.149 1.00 0.00 C ATOM 152 CG ASP A 9 2.344 -22.193 2.111 1.00 0.00 C ATOM 153 OD1 ASP A 9 2.329 -23.230 2.821 1.00 0.00 O ATOM 154 OD2 ASP A 9 3.292 -21.948 1.325 1.00 0.00 O ATOM 0 H ASP A 9 -1.512 -21.029 3.504 1.00 0.00 H new ATOM 0 HA ASP A 9 0.440 -21.998 4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.347 -21.633 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.431 -20.274 1.730 1.00 0.00 H new ATOM 159 N ASN A 10 1.064 -19.973 5.743 1.00 0.00 N ATOM 160 CA ASN A 10 1.771 -19.220 6.791 1.00 0.00 C ATOM 161 C ASN A 10 2.358 -17.874 6.323 1.00 0.00 C ATOM 162 O ASN A 10 3.558 -17.606 6.439 1.00 0.00 O ATOM 163 CB ASN A 10 2.749 -20.152 7.536 1.00 0.00 C ATOM 164 CG ASN A 10 3.345 -19.522 8.789 1.00 0.00 C ATOM 165 OD1 ASN A 10 2.712 -18.749 9.496 1.00 0.00 O ATOM 166 ND2 ASN A 10 4.578 -19.840 9.116 1.00 0.00 N ATOM 0 H ASN A 10 0.109 -20.208 6.015 1.00 0.00 H new ATOM 0 HA ASN A 10 1.036 -18.887 7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.228 -21.069 7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.556 -20.435 6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.002 -19.443 9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.111 -20.484 8.531 1.00 0.00 H new ATOM 173 N VAL A 11 1.467 -17.013 5.824 1.00 0.00 N ATOM 174 CA VAL A 11 1.747 -15.622 5.438 1.00 0.00 C ATOM 175 C VAL A 11 0.586 -14.722 5.860 1.00 0.00 C ATOM 176 O VAL A 11 -0.577 -15.118 5.767 1.00 0.00 O ATOM 177 CB VAL A 11 1.981 -15.486 3.916 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.585 -14.115 3.609 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.942 -16.532 3.341 1.00 0.00 C ATOM 0 H VAL A 11 0.493 -17.273 5.671 1.00 0.00 H new ATOM 0 HA VAL A 11 2.660 -15.314 5.948 1.00 0.00 H new ATOM 0 HB VAL A 11 1.003 -15.628 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.749 -14.022 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.901 -13.334 3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.536 -14.011 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.055 -16.372 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.913 -16.439 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.542 -17.530 3.518 1.00 0.00 H new ATOM 189 N ASN A 12 0.908 -13.510 6.315 1.00 0.00 N ATOM 190 CA ASN A 12 -0.025 -12.511 6.835 1.00 0.00 C ATOM 191 C ASN A 12 0.398 -11.090 6.449 1.00 0.00 C ATOM 192 O ASN A 12 1.554 -10.850 6.096 1.00 0.00 O ATOM 193 CB ASN A 12 -0.013 -12.565 8.372 1.00 0.00 C ATOM 194 CG ASN A 12 -0.395 -13.899 8.993 1.00 0.00 C ATOM 195 OD1 ASN A 12 0.414 -14.570 9.617 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.627 -14.330 8.875 1.00 0.00 N ATOM 0 H ASN A 12 1.874 -13.183 6.331 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.007 -12.734 6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.986 -12.298 8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.695 -11.803 8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.901 -15.215 9.301 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.312 -13.780 8.357 1.00 0.00 H new ATOM 203 N LEU A 13 -0.508 -10.132 6.659 1.00 0.00 N ATOM 204 CA LEU A 13 -0.225 -8.701 6.563 1.00 0.00 C ATOM 205 C LEU A 13 1.008 -8.266 7.349 1.00 0.00 C ATOM 206 O LEU A 13 1.853 -7.582 6.792 1.00 0.00 O ATOM 207 CB LEU A 13 -1.456 -7.901 7.027 1.00 0.00 C ATOM 208 CG LEU A 13 -2.105 -7.167 5.855 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.398 -6.512 6.347 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.213 -6.043 5.322 1.00 0.00 C ATOM 0 H LEU A 13 -1.477 -10.335 6.905 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.006 -8.494 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.180 -8.574 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.160 -7.183 7.792 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.279 -7.896 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.875 -5.983 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.074 -7.279 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.168 -5.807 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.712 -5.547 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.025 -5.320 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.266 -6.461 4.981 1.00 0.00 H new ATOM 222 N ASP A 14 1.160 -8.694 8.603 1.00 0.00 N ATOM 223 CA ASP A 14 2.323 -8.339 9.432 1.00 0.00 C ATOM 224 C ASP A 14 3.676 -8.724 8.804 1.00 0.00 C ATOM 225 O ASP A 14 4.687 -8.078 9.075 1.00 0.00 O ATOM 226 CB ASP A 14 2.181 -8.958 10.822 1.00 0.00 C ATOM 227 CG ASP A 14 1.075 -8.267 11.632 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.235 -7.071 11.982 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.027 -8.900 11.897 1.00 0.00 O ATOM 0 H ASP A 14 0.485 -9.295 9.076 1.00 0.00 H new ATOM 0 HA ASP A 14 2.329 -7.252 9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.956 -10.020 10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.128 -8.879 11.356 1.00 0.00 H new ATOM 234 N GLU A 15 3.699 -9.737 7.934 1.00 0.00 N ATOM 235 CA GLU A 15 4.869 -10.098 7.131 1.00 0.00 C ATOM 236 C GLU A 15 5.031 -9.175 5.908 1.00 0.00 C ATOM 237 O GLU A 15 6.152 -8.865 5.526 1.00 0.00 O ATOM 238 CB GLU A 15 4.750 -11.568 6.684 1.00 0.00 C ATOM 239 CG GLU A 15 6.103 -12.214 6.354 1.00 0.00 C ATOM 240 CD GLU A 15 6.913 -12.541 7.625 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.734 -13.647 8.193 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.738 -11.704 8.062 1.00 0.00 O ATOM 0 H GLU A 15 2.893 -10.338 7.766 1.00 0.00 H new ATOM 0 HA GLU A 15 5.758 -9.973 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.264 -12.142 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.106 -11.623 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.939 -13.128 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.680 -11.542 5.719 1.00 0.00 H new ATOM 249 N ILE A 16 3.936 -8.684 5.317 1.00 0.00 N ATOM 250 CA ILE A 16 3.944 -7.789 4.135 1.00 0.00 C ATOM 251 C ILE A 16 4.721 -6.498 4.415 1.00 0.00 C ATOM 252 O ILE A 16 5.757 -6.270 3.790 1.00 0.00 O ATOM 253 CB ILE A 16 2.505 -7.559 3.580 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.891 -8.889 3.090 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.440 -6.525 2.448 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.735 -9.609 2.019 1.00 0.00 C ATOM 0 H ILE A 16 2.995 -8.897 5.648 1.00 0.00 H new ATOM 0 HA ILE A 16 4.487 -8.287 3.331 1.00 0.00 H new ATOM 0 HB ILE A 16 1.929 -7.159 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.761 -9.554 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.898 -8.692 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.409 -6.418 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.805 -5.564 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.060 -6.858 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.239 -10.534 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.844 -8.964 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.720 -9.839 2.426 1.00 0.00 H new ATOM 268 N LEU A 17 4.327 -5.703 5.413 1.00 0.00 N ATOM 269 CA LEU A 17 5.065 -4.483 5.779 1.00 0.00 C ATOM 270 C LEU A 17 6.472 -4.759 6.355 1.00 0.00 C ATOM 271 O LEU A 17 7.360 -3.918 6.211 1.00 0.00 O ATOM 272 CB LEU A 17 4.242 -3.651 6.775 1.00 0.00 C ATOM 273 CG LEU A 17 3.545 -4.450 7.901 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.456 -3.563 9.122 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.087 -4.798 7.609 1.00 0.00 C ATOM 0 H LEU A 17 3.501 -5.879 5.985 1.00 0.00 H new ATOM 0 HA LEU A 17 5.216 -3.925 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.899 -2.911 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.481 -3.102 6.220 1.00 0.00 H new ATOM 0 HG LEU A 17 4.131 -5.362 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.967 -4.106 9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.459 -3.272 9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.878 -2.671 8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.672 -5.358 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.516 -3.881 7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.032 -5.404 6.705 1.00 0.00 H new ATOM 287 N ALA A 18 6.692 -5.915 6.994 1.00 0.00 N ATOM 288 CA ALA A 18 8.001 -6.311 7.525 1.00 0.00 C ATOM 289 C ALA A 18 9.000 -6.750 6.438 1.00 0.00 C ATOM 290 O ALA A 18 10.211 -6.590 6.610 1.00 0.00 O ATOM 291 CB ALA A 18 7.799 -7.464 8.510 1.00 0.00 C ATOM 0 H ALA A 18 5.960 -6.607 7.158 1.00 0.00 H new ATOM 0 HA ALA A 18 8.430 -5.433 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.764 -7.770 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.152 -7.138 9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.337 -8.306 7.995 1.00 0.00 H new ATOM 297 N ASN A 19 8.504 -7.308 5.330 1.00 0.00 N ATOM 298 CA ASN A 19 9.295 -8.006 4.321 1.00 0.00 C ATOM 299 C ASN A 19 9.158 -7.292 2.965 1.00 0.00 C ATOM 300 O ASN A 19 8.286 -7.615 2.157 1.00 0.00 O ATOM 301 CB ASN A 19 8.859 -9.493 4.259 1.00 0.00 C ATOM 302 CG ASN A 19 9.921 -10.471 3.781 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.915 -10.002 3.065 1.00 0.00 O flip ATOM 304 ND2 ASN A 19 9.870 -11.664 4.041 1.00 0.00 N flip ATOM 0 H ASN A 19 7.509 -7.284 5.107 1.00 0.00 H new ATOM 0 HA ASN A 19 10.352 -7.987 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.531 -9.798 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.995 -9.572 3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.099 -12.032 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.599 -12.292 3.702 1.00 0.00 H new ATOM 311 N ASP A 20 10.053 -6.341 2.676 1.00 0.00 N ATOM 312 CA ASP A 20 10.038 -5.583 1.414 1.00 0.00 C ATOM 313 C ASP A 20 10.023 -6.478 0.158 1.00 0.00 C ATOM 314 O ASP A 20 9.403 -6.115 -0.837 1.00 0.00 O ATOM 315 CB ASP A 20 11.227 -4.605 1.355 1.00 0.00 C ATOM 316 CG ASP A 20 12.566 -5.311 1.059 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.058 -6.046 1.947 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.099 -5.174 -0.068 1.00 0.00 O ATOM 0 H ASP A 20 10.808 -6.073 3.307 1.00 0.00 H new ATOM 0 HA ASP A 20 9.102 -5.025 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.038 -3.856 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.303 -4.075 2.304 1.00 0.00 H new ATOM 323 N ARG A 21 10.638 -7.673 0.221 1.00 0.00 N ATOM 324 CA ARG A 21 10.643 -8.672 -0.866 1.00 0.00 C ATOM 325 C ARG A 21 9.230 -9.122 -1.264 1.00 0.00 C ATOM 326 O ARG A 21 8.962 -9.331 -2.448 1.00 0.00 O ATOM 327 CB ARG A 21 11.488 -9.915 -0.506 1.00 0.00 C ATOM 328 CG ARG A 21 12.850 -9.694 0.182 1.00 0.00 C ATOM 329 CD ARG A 21 13.718 -8.577 -0.393 1.00 0.00 C ATOM 330 NE ARG A 21 14.098 -8.804 -1.797 1.00 0.00 N ATOM 331 CZ ARG A 21 14.403 -7.867 -2.677 1.00 0.00 C ATOM 332 NH1 ARG A 21 14.326 -6.592 -2.405 1.00 0.00 N ATOM 333 NH2 ARG A 21 14.809 -8.209 -3.868 1.00 0.00 N ATOM 0 H ARG A 21 11.156 -7.978 1.045 1.00 0.00 H new ATOM 0 HA ARG A 21 11.096 -8.167 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.886 -10.551 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.665 -10.475 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.672 -9.482 1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.414 -10.626 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.180 -7.632 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.621 -8.480 0.210 1.00 0.00 H new ATOM 0 HE ARG A 21 14.129 -9.771 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.020 -6.285 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.572 -5.903 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.890 -9.195 -4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.046 -7.490 -4.552 1.00 0.00 H new ATOM 347 N LEU A 22 8.327 -9.250 -0.284 1.00 0.00 N ATOM 348 CA LEU A 22 6.894 -9.473 -0.510 1.00 0.00 C ATOM 349 C LEU A 22 6.238 -8.173 -0.986 1.00 0.00 C ATOM 350 O LEU A 22 5.556 -8.160 -2.007 1.00 0.00 O ATOM 351 CB LEU A 22 6.210 -9.940 0.796 1.00 0.00 C ATOM 352 CG LEU A 22 6.843 -11.157 1.488 1.00 0.00 C ATOM 353 CD1 LEU A 22 6.167 -11.438 2.827 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.711 -12.423 0.655 1.00 0.00 C ATOM 0 H LEU A 22 8.576 -9.201 0.704 1.00 0.00 H new ATOM 0 HA LEU A 22 6.777 -10.245 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.207 -9.107 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.169 -10.174 0.574 1.00 0.00 H new ATOM 0 HG LEU A 22 7.895 -10.906 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.634 -12.304 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.275 -10.571 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.108 -11.640 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.173 -13.257 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.656 -12.640 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.210 -12.281 -0.304 1.00 0.00 H new ATOM 366 N LEU A 23 6.498 -7.071 -0.273 1.00 0.00 N ATOM 367 CA LEU A 23 5.933 -5.741 -0.528 1.00 0.00 C ATOM 368 C LEU A 23 6.102 -5.303 -1.996 1.00 0.00 C ATOM 369 O LEU A 23 5.158 -4.796 -2.601 1.00 0.00 O ATOM 370 CB LEU A 23 6.587 -4.754 0.464 1.00 0.00 C ATOM 371 CG LEU A 23 5.750 -3.553 0.892 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.293 -2.723 -0.305 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.574 -4.026 1.736 1.00 0.00 C ATOM 0 H LEU A 23 7.131 -7.081 0.527 1.00 0.00 H new ATOM 0 HA LEU A 23 4.855 -5.761 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.868 -5.309 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.509 -4.383 0.016 1.00 0.00 H new ATOM 0 HG LEU A 23 6.371 -2.894 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.700 -1.878 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.164 -2.356 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.688 -3.342 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.977 -3.167 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.957 -4.708 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.946 -4.542 2.621 1.00 0.00 H new ATOM 385 N ASN A 24 7.256 -5.592 -2.606 1.00 0.00 N ATOM 386 CA ASN A 24 7.571 -5.275 -4.004 1.00 0.00 C ATOM 387 C ASN A 24 6.466 -5.702 -4.986 1.00 0.00 C ATOM 388 O ASN A 24 6.177 -4.956 -5.918 1.00 0.00 O ATOM 389 CB ASN A 24 8.897 -5.949 -4.419 1.00 0.00 C ATOM 390 CG ASN A 24 10.164 -5.466 -3.728 1.00 0.00 C ATOM 391 OD1 ASN A 24 11.077 -6.235 -3.467 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.307 -4.187 -3.459 1.00 0.00 N ATOM 0 H ASN A 24 8.020 -6.067 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 24 7.657 -4.190 -4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.802 -7.020 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.024 -5.813 -5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.172 -3.848 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.553 -3.534 -3.672 1.00 0.00 H new ATOM 399 N LYS A 25 5.801 -6.845 -4.767 1.00 0.00 N ATOM 400 CA LYS A 25 4.748 -7.354 -5.670 1.00 0.00 C ATOM 401 C LYS A 25 3.408 -6.626 -5.474 1.00 0.00 C ATOM 402 O LYS A 25 2.690 -6.376 -6.443 1.00 0.00 O ATOM 403 CB LYS A 25 4.656 -8.892 -5.563 1.00 0.00 C ATOM 404 CG LYS A 25 3.756 -9.418 -4.430 1.00 0.00 C ATOM 405 CD LYS A 25 4.159 -10.788 -3.864 1.00 0.00 C ATOM 406 CE LYS A 25 4.298 -11.860 -4.949 1.00 0.00 C ATOM 407 NZ LYS A 25 4.515 -13.211 -4.366 1.00 0.00 N ATOM 0 H LYS A 25 5.974 -7.445 -3.961 1.00 0.00 H new ATOM 0 HA LYS A 25 5.026 -7.127 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.287 -9.285 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.661 -9.291 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.758 -8.691 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.732 -9.481 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.105 -10.692 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.414 -11.109 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.400 -11.871 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.132 -11.608 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.604 -13.909 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.386 -13.208 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.707 -13.462 -3.761 1.00 0.00 H new ATOM 421 N TYR A 26 3.117 -6.205 -4.239 1.00 0.00 N ATOM 422 CA TYR A 26 1.961 -5.373 -3.891 1.00 0.00 C ATOM 423 C TYR A 26 2.079 -3.970 -4.509 1.00 0.00 C ATOM 424 O TYR A 26 1.081 -3.437 -4.992 1.00 0.00 O ATOM 425 CB TYR A 26 1.796 -5.284 -2.360 1.00 0.00 C ATOM 426 CG TYR A 26 1.274 -6.547 -1.691 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.089 -7.688 -1.569 1.00 0.00 C ATOM 428 CD2 TYR A 26 -0.038 -6.587 -1.188 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.572 -8.882 -1.031 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.536 -7.752 -0.575 1.00 0.00 C ATOM 431 CZ TYR A 26 0.259 -8.914 -0.515 1.00 0.00 C ATOM 432 OH TYR A 26 -0.239 -10.052 0.038 1.00 0.00 O ATOM 0 H TYR A 26 3.695 -6.440 -3.432 1.00 0.00 H new ATOM 0 HA TYR A 26 1.071 -5.846 -4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.761 -5.031 -1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.117 -4.463 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.119 -7.647 -1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.670 -5.715 -1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.181 -9.774 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.529 -7.755 -0.150 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.145 -9.884 0.371 1.00 0.00 H new ATOM 442 N VAL A 27 3.287 -3.387 -4.552 1.00 0.00 N ATOM 443 CA VAL A 27 3.526 -2.087 -5.214 1.00 0.00 C ATOM 444 C VAL A 27 3.606 -2.192 -6.731 1.00 0.00 C ATOM 445 O VAL A 27 2.950 -1.415 -7.419 1.00 0.00 O ATOM 446 CB VAL A 27 4.734 -1.320 -4.637 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.438 -0.971 -3.180 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.061 -2.071 -4.659 1.00 0.00 C ATOM 0 H VAL A 27 4.122 -3.796 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 27 2.641 -1.494 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 27 4.856 -0.451 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.283 -0.428 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.545 -0.349 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.275 -1.887 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.842 -1.442 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.971 -2.986 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.320 -2.322 -5.688 1.00 0.00 H new ATOM 458 N GLN A 28 4.306 -3.182 -7.289 1.00 0.00 N ATOM 459 CA GLN A 28 4.400 -3.394 -8.748 1.00 0.00 C ATOM 460 C GLN A 28 3.035 -3.418 -9.450 1.00 0.00 C ATOM 461 O GLN A 28 2.931 -2.948 -10.583 1.00 0.00 O ATOM 462 CB GLN A 28 5.147 -4.707 -9.034 1.00 0.00 C ATOM 463 CG GLN A 28 6.520 -4.469 -9.683 1.00 0.00 C ATOM 464 CD GLN A 28 7.504 -5.603 -9.400 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.254 -5.593 -8.432 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.554 -6.627 -10.228 1.00 0.00 N ATOM 0 H GLN A 28 4.829 -3.867 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 28 4.948 -2.542 -9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.279 -5.258 -8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.541 -5.331 -9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.395 -4.361 -10.760 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.935 -3.531 -9.314 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.938 -6.656 -11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.208 -7.390 -10.056 1.00 0.00 H new ATOM 475 N CYS A 29 1.998 -3.880 -8.742 1.00 0.00 N ATOM 476 CA CYS A 29 0.596 -3.876 -9.158 1.00 0.00 C ATOM 477 C CYS A 29 0.085 -2.539 -9.736 1.00 0.00 C ATOM 478 O CYS A 29 -0.800 -2.530 -10.597 1.00 0.00 O ATOM 479 CB CYS A 29 -0.244 -4.302 -7.950 1.00 0.00 C ATOM 480 SG CYS A 29 -2.026 -4.465 -8.226 1.00 0.00 S ATOM 0 H CYS A 29 2.124 -4.287 -7.815 1.00 0.00 H new ATOM 0 HA CYS A 29 0.502 -4.573 -9.990 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.135 -5.259 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.087 -3.577 -7.152 1.00 0.00 H new ATOM 485 N LEU A 30 0.652 -1.412 -9.286 1.00 0.00 N ATOM 486 CA LEU A 30 0.327 -0.063 -9.762 1.00 0.00 C ATOM 487 C LEU A 30 1.558 0.807 -10.111 1.00 0.00 C ATOM 488 O LEU A 30 1.398 1.860 -10.732 1.00 0.00 O ATOM 489 CB LEU A 30 -0.670 0.628 -8.798 1.00 0.00 C ATOM 490 CG LEU A 30 -0.322 0.811 -7.304 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.430 -0.475 -6.480 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.063 1.404 -7.071 1.00 0.00 C ATOM 0 H LEU A 30 1.369 -1.415 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.172 -0.181 -10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.874 1.619 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.603 0.066 -8.844 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.080 1.516 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.170 -0.265 -5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.451 -0.854 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.254 -1.223 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.240 1.505 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.818 0.747 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.123 2.385 -7.542 1.00 0.00 H new ATOM 504 N LEU A 31 2.773 0.377 -9.745 1.00 0.00 N ATOM 505 CA LEU A 31 4.033 1.055 -10.077 1.00 0.00 C ATOM 506 C LEU A 31 4.455 0.759 -11.528 1.00 0.00 C ATOM 507 O LEU A 31 4.847 1.675 -12.253 1.00 0.00 O ATOM 508 CB LEU A 31 5.096 0.710 -8.997 1.00 0.00 C ATOM 509 CG LEU A 31 6.443 0.087 -9.426 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.393 1.105 -10.046 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.161 -0.510 -8.215 1.00 0.00 C ATOM 0 H LEU A 31 2.910 -0.472 -9.197 1.00 0.00 H new ATOM 0 HA LEU A 31 3.909 2.138 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.319 1.628 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.631 0.025 -8.288 1.00 0.00 H new ATOM 0 HG LEU A 31 6.196 -0.674 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.323 0.611 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.931 1.542 -10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.606 1.892 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.109 -0.945 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.349 0.273 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.538 -1.284 -7.768 1.00 0.00 H new ATOM 523 N GLU A 32 4.344 -0.496 -11.977 1.00 0.00 N ATOM 524 CA GLU A 32 4.673 -0.872 -13.358 1.00 0.00 C ATOM 525 C GLU A 32 3.549 -0.505 -14.353 1.00 0.00 C ATOM 526 O GLU A 32 2.408 -0.236 -13.972 1.00 0.00 O ATOM 527 CB GLU A 32 5.004 -2.373 -13.450 1.00 0.00 C ATOM 528 CG GLU A 32 6.414 -2.696 -12.932 1.00 0.00 C ATOM 529 CD GLU A 32 7.539 -2.019 -13.746 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.480 -2.017 -14.999 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.499 -1.493 -13.133 1.00 0.00 O ATOM 0 H GLU A 32 4.026 -1.275 -11.400 1.00 0.00 H new ATOM 0 HA GLU A 32 5.554 -0.296 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.271 -2.940 -12.876 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.918 -2.698 -14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.491 -2.383 -11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.561 -3.776 -12.952 1.00 0.00 H new ATOM 538 N ASP A 33 3.859 -0.541 -15.653 1.00 0.00 N ATOM 539 CA ASP A 33 2.906 -0.321 -16.758 1.00 0.00 C ATOM 540 C ASP A 33 1.959 -1.521 -17.028 1.00 0.00 C ATOM 541 O ASP A 33 1.203 -1.515 -18.003 1.00 0.00 O ATOM 542 CB ASP A 33 3.694 0.059 -18.025 1.00 0.00 C ATOM 543 CG ASP A 33 4.401 1.417 -17.880 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.714 2.466 -17.927 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.648 1.444 -17.743 1.00 0.00 O ATOM 0 H ASP A 33 4.807 -0.729 -15.980 1.00 0.00 H new ATOM 0 HA ASP A 33 2.246 0.493 -16.459 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.433 -0.713 -18.237 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.015 0.093 -18.877 1.00 0.00 H new ATOM 550 N ASP A 34 1.975 -2.549 -16.173 1.00 0.00 N ATOM 551 CA ASP A 34 1.183 -3.784 -16.272 1.00 0.00 C ATOM 552 C ASP A 34 0.626 -4.201 -14.897 1.00 0.00 C ATOM 553 O ASP A 34 1.176 -3.831 -13.857 1.00 0.00 O ATOM 554 CB ASP A 34 2.062 -4.918 -16.831 1.00 0.00 C ATOM 555 CG ASP A 34 2.427 -4.718 -18.311 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.559 -4.961 -19.184 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.594 -4.365 -18.611 1.00 0.00 O ATOM 0 H ASP A 34 2.573 -2.543 -15.347 1.00 0.00 H new ATOM 0 HA ASP A 34 0.344 -3.596 -16.941 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.977 -4.986 -16.242 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.538 -5.867 -16.716 1.00 0.00 H new ATOM 562 N GLU A 35 -0.438 -5.014 -14.895 1.00 0.00 N ATOM 563 CA GLU A 35 -1.178 -5.443 -13.690 1.00 0.00 C ATOM 564 C GLU A 35 -1.209 -6.970 -13.477 1.00 0.00 C ATOM 565 O GLU A 35 -1.817 -7.475 -12.532 1.00 0.00 O ATOM 566 CB GLU A 35 -2.590 -4.827 -13.700 1.00 0.00 C ATOM 567 CG GLU A 35 -3.474 -5.337 -14.850 1.00 0.00 C ATOM 568 CD GLU A 35 -4.877 -4.701 -14.797 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.077 -3.611 -15.390 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.795 -5.289 -14.178 1.00 0.00 O ATOM 0 H GLU A 35 -0.823 -5.406 -15.754 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.629 -5.065 -12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.080 -5.046 -12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.504 -3.743 -13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.003 -5.106 -15.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.561 -6.422 -14.792 1.00 0.00 H new ATOM 577 N SER A 36 -0.499 -7.717 -14.324 1.00 0.00 N ATOM 578 CA SER A 36 -0.324 -9.184 -14.226 1.00 0.00 C ATOM 579 C SER A 36 0.428 -9.634 -12.960 1.00 0.00 C ATOM 580 O SER A 36 0.439 -10.814 -12.607 1.00 0.00 O ATOM 581 CB SER A 36 0.454 -9.690 -15.444 1.00 0.00 C ATOM 582 OG SER A 36 -0.161 -9.273 -16.656 1.00 0.00 O ATOM 0 H SER A 36 -0.011 -7.315 -15.124 1.00 0.00 H new ATOM 0 HA SER A 36 -1.328 -9.605 -14.181 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.478 -9.317 -15.406 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.510 -10.778 -15.417 1.00 0.00 H new ATOM 0 HG SER A 36 0.357 -9.608 -17.418 1.00 0.00 H new ATOM 588 N ASN A 37 1.068 -8.679 -12.286 1.00 0.00 N ATOM 589 CA ASN A 37 1.870 -8.802 -11.068 1.00 0.00 C ATOM 590 C ASN A 37 1.068 -8.568 -9.766 1.00 0.00 C ATOM 591 O ASN A 37 1.594 -8.804 -8.677 1.00 0.00 O ATOM 592 CB ASN A 37 3.075 -7.844 -11.213 1.00 0.00 C ATOM 593 CG ASN A 37 2.686 -6.430 -11.626 1.00 0.00 C ATOM 594 OD1 ASN A 37 1.559 -5.999 -11.464 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.571 -5.680 -12.236 1.00 0.00 N ATOM 0 H ASN A 37 1.036 -7.712 -12.608 1.00 0.00 H new ATOM 0 HA ASN A 37 2.216 -9.831 -10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.611 -7.802 -10.265 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.766 -8.252 -11.951 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.311 -4.751 -12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.520 -6.026 -12.380 1.00 0.00 H new ATOM 602 N CYS A 38 -0.202 -8.155 -9.856 1.00 0.00 N ATOM 603 CA CYS A 38 -1.113 -8.073 -8.708 1.00 0.00 C ATOM 604 C CYS A 38 -1.467 -9.480 -8.175 1.00 0.00 C ATOM 605 O CYS A 38 -1.926 -10.332 -8.942 1.00 0.00 O ATOM 606 CB CYS A 38 -2.397 -7.355 -9.147 1.00 0.00 C ATOM 607 SG CYS A 38 -2.219 -5.688 -9.834 1.00 0.00 S ATOM 0 H CYS A 38 -0.630 -7.866 -10.736 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.621 -7.521 -7.907 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.894 -7.976 -9.892 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.063 -7.296 -8.286 1.00 0.00 H new ATOM 612 N THR A 39 -1.302 -9.734 -6.872 1.00 0.00 N ATOM 613 CA THR A 39 -1.728 -10.997 -6.228 1.00 0.00 C ATOM 614 C THR A 39 -3.211 -10.966 -5.834 1.00 0.00 C ATOM 615 O THR A 39 -3.822 -9.897 -5.764 1.00 0.00 O ATOM 616 CB THR A 39 -0.876 -11.300 -4.984 1.00 0.00 C ATOM 617 OG1 THR A 39 -0.937 -10.223 -4.078 1.00 0.00 O ATOM 618 CG2 THR A 39 0.589 -11.536 -5.340 1.00 0.00 C ATOM 0 H THR A 39 -0.869 -9.073 -6.227 1.00 0.00 H new ATOM 0 HA THR A 39 -1.583 -11.787 -6.965 1.00 0.00 H new ATOM 0 HB THR A 39 -1.283 -12.206 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.392 -10.428 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.155 -11.746 -4.432 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.666 -12.384 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.994 -10.646 -5.822 1.00 0.00 H new ATOM 626 N ALA A 40 -3.800 -12.132 -5.540 1.00 0.00 N ATOM 627 CA ALA A 40 -5.201 -12.260 -5.113 1.00 0.00 C ATOM 628 C ALA A 40 -5.536 -11.471 -3.825 1.00 0.00 C ATOM 629 O ALA A 40 -6.651 -10.972 -3.673 1.00 0.00 O ATOM 630 CB ALA A 40 -5.515 -13.752 -4.946 1.00 0.00 C ATOM 0 H ALA A 40 -3.311 -13.026 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.830 -11.815 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.551 -13.873 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.364 -14.264 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.853 -14.181 -4.194 1.00 0.00 H new ATOM 636 N ASP A 41 -4.566 -11.327 -2.917 1.00 0.00 N ATOM 637 CA ASP A 41 -4.666 -10.502 -1.705 1.00 0.00 C ATOM 638 C ASP A 41 -4.240 -9.040 -1.961 1.00 0.00 C ATOM 639 O ASP A 41 -4.878 -8.103 -1.473 1.00 0.00 O ATOM 640 CB ASP A 41 -3.794 -11.163 -0.626 1.00 0.00 C ATOM 641 CG ASP A 41 -3.807 -10.401 0.707 1.00 0.00 C ATOM 642 OD1 ASP A 41 -4.802 -10.517 1.462 1.00 0.00 O ATOM 643 OD2 ASP A 41 -2.798 -9.722 1.007 1.00 0.00 O ATOM 0 H ASP A 41 -3.663 -11.794 -3.006 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.704 -10.451 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.143 -12.182 -0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.768 -11.233 -0.988 1.00 0.00 H new ATOM 648 N GLY A 42 -3.204 -8.823 -2.782 1.00 0.00 N ATOM 649 CA GLY A 42 -2.639 -7.500 -3.056 1.00 0.00 C ATOM 650 C GLY A 42 -3.522 -6.593 -3.902 1.00 0.00 C ATOM 651 O GLY A 42 -3.603 -5.397 -3.622 1.00 0.00 O ATOM 0 H GLY A 42 -2.729 -9.575 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.435 -7.004 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.682 -7.627 -3.562 1.00 0.00 H new ATOM 655 N LYS A 43 -4.245 -7.152 -4.878 1.00 0.00 N ATOM 656 CA LYS A 43 -5.237 -6.421 -5.689 1.00 0.00 C ATOM 657 C LYS A 43 -6.379 -5.828 -4.861 1.00 0.00 C ATOM 658 O LYS A 43 -6.908 -4.778 -5.210 1.00 0.00 O ATOM 659 CB LYS A 43 -5.784 -7.341 -6.803 1.00 0.00 C ATOM 660 CG LYS A 43 -6.755 -8.412 -6.267 1.00 0.00 C ATOM 661 CD LYS A 43 -7.057 -9.582 -7.212 1.00 0.00 C ATOM 662 CE LYS A 43 -7.843 -9.210 -8.480 1.00 0.00 C ATOM 663 NZ LYS A 43 -6.967 -8.814 -9.616 1.00 0.00 N ATOM 0 H LYS A 43 -4.160 -8.136 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.720 -5.571 -6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.295 -6.735 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.950 -7.831 -7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.344 -8.816 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.696 -7.925 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.114 -10.041 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.620 -10.337 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.457 -10.059 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.523 -8.390 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.554 -8.575 -10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.399 -7.986 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.335 -9.603 -9.858 1.00 0.00 H new ATOM 677 N GLU A 44 -6.746 -6.488 -3.765 1.00 0.00 N ATOM 678 CA GLU A 44 -7.773 -6.018 -2.838 1.00 0.00 C ATOM 679 C GLU A 44 -7.189 -4.960 -1.884 1.00 0.00 C ATOM 680 O GLU A 44 -7.758 -3.876 -1.764 1.00 0.00 O ATOM 681 CB GLU A 44 -8.355 -7.246 -2.117 1.00 0.00 C ATOM 682 CG GLU A 44 -9.491 -6.924 -1.137 1.00 0.00 C ATOM 683 CD GLU A 44 -10.751 -6.376 -1.841 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.340 -7.090 -2.688 1.00 0.00 O ATOM 685 OE2 GLU A 44 -11.174 -5.236 -1.534 1.00 0.00 O ATOM 0 H GLU A 44 -6.331 -7.379 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.587 -5.518 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.723 -7.950 -2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.554 -7.747 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.753 -7.825 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.140 -6.193 -0.409 1.00 0.00 H new ATOM 692 N LEU A 45 -6.009 -5.211 -1.294 1.00 0.00 N ATOM 693 CA LEU A 45 -5.276 -4.252 -0.454 1.00 0.00 C ATOM 694 C LEU A 45 -5.040 -2.919 -1.183 1.00 0.00 C ATOM 695 O LEU A 45 -5.453 -1.865 -0.704 1.00 0.00 O ATOM 696 CB LEU A 45 -3.970 -4.918 0.041 1.00 0.00 C ATOM 697 CG LEU A 45 -2.989 -3.962 0.760 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.147 -4.682 1.823 1.00 0.00 C ATOM 699 CD2 LEU A 45 -2.038 -3.254 -0.215 1.00 0.00 C ATOM 0 H LEU A 45 -5.528 -6.106 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.876 -3.993 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.227 -5.731 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.460 -5.365 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.623 -3.219 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.474 -3.968 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.805 -5.118 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.563 -5.472 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.371 -2.595 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.449 -3.997 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.618 -2.666 -0.927 1.00 0.00 H new ATOM 711 N LYS A 46 -4.443 -2.946 -2.378 1.00 0.00 N ATOM 712 CA LYS A 46 -4.160 -1.730 -3.165 1.00 0.00 C ATOM 713 C LYS A 46 -5.420 -0.976 -3.598 1.00 0.00 C ATOM 714 O LYS A 46 -5.349 0.227 -3.828 1.00 0.00 O ATOM 715 CB LYS A 46 -3.249 -2.056 -4.363 1.00 0.00 C ATOM 716 CG LYS A 46 -3.968 -2.815 -5.490 1.00 0.00 C ATOM 717 CD LYS A 46 -4.445 -1.932 -6.654 1.00 0.00 C ATOM 718 CE LYS A 46 -5.315 -2.758 -7.612 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.816 -1.938 -8.747 1.00 0.00 N ATOM 0 H LYS A 46 -4.140 -3.808 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.628 -1.048 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.842 -1.127 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.404 -2.651 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.296 -3.578 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.829 -3.334 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.014 -1.085 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.587 -1.524 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.736 -3.597 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.160 -3.178 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.399 -2.530 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.390 -1.152 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.010 -1.558 -9.283 1.00 0.00 H new ATOM 733 N SER A 47 -6.550 -1.676 -3.726 1.00 0.00 N ATOM 734 CA SER A 47 -7.846 -1.105 -4.129 1.00 0.00 C ATOM 735 C SER A 47 -8.559 -0.400 -2.967 1.00 0.00 C ATOM 736 O SER A 47 -9.261 0.590 -3.185 1.00 0.00 O ATOM 737 CB SER A 47 -8.737 -2.205 -4.716 1.00 0.00 C ATOM 738 OG SER A 47 -9.930 -1.663 -5.257 1.00 0.00 O ATOM 0 H SER A 47 -6.595 -2.680 -3.549 1.00 0.00 H new ATOM 0 HA SER A 47 -7.652 -0.347 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.193 -2.742 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.983 -2.930 -3.940 1.00 0.00 H new ATOM 0 HG SER A 47 -10.480 -2.386 -5.626 1.00 0.00 H new ATOM 744 N VAL A 48 -8.321 -0.829 -1.720 1.00 0.00 N ATOM 745 CA VAL A 48 -8.814 -0.129 -0.519 1.00 0.00 C ATOM 746 C VAL A 48 -7.874 0.984 -0.027 1.00 0.00 C ATOM 747 O VAL A 48 -8.340 1.913 0.635 1.00 0.00 O ATOM 748 CB VAL A 48 -9.158 -1.125 0.604 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.938 -1.864 1.136 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.805 -0.436 1.801 1.00 0.00 C ATOM 0 H VAL A 48 -7.782 -1.670 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.732 0.377 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.848 -1.829 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.244 -2.551 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.471 -2.425 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.224 -1.145 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.031 -1.176 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.120 0.309 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.727 0.052 1.485 1.00 0.00 H new ATOM 760 N ILE A 49 -6.578 0.965 -0.381 1.00 0.00 N ATOM 761 CA ILE A 49 -5.643 2.039 0.004 1.00 0.00 C ATOM 762 C ILE A 49 -6.187 3.434 -0.379 1.00 0.00 C ATOM 763 O ILE A 49 -6.212 4.308 0.489 1.00 0.00 O ATOM 764 CB ILE A 49 -4.199 1.832 -0.541 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.456 0.770 0.301 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.364 3.138 -0.535 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.037 0.421 -0.168 1.00 0.00 C ATOM 0 H ILE A 49 -6.153 0.219 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.569 1.986 1.090 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.305 1.501 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.402 1.123 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.051 -0.143 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.367 2.934 -0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.853 3.885 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.285 3.514 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.610 -0.333 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.076 0.031 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.416 1.317 -0.146 1.00 0.00 H new ATOM 779 N PRO A 50 -6.653 3.677 -1.625 1.00 0.00 N ATOM 780 CA PRO A 50 -7.166 4.988 -2.020 1.00 0.00 C ATOM 781 C PRO A 50 -8.550 5.287 -1.411 1.00 0.00 C ATOM 782 O PRO A 50 -8.902 6.447 -1.219 1.00 0.00 O ATOM 783 CB PRO A 50 -7.229 4.957 -3.552 1.00 0.00 C ATOM 784 CG PRO A 50 -7.441 3.478 -3.868 1.00 0.00 C ATOM 785 CD PRO A 50 -6.665 2.773 -2.770 1.00 0.00 C ATOM 0 HA PRO A 50 -6.518 5.784 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.046 5.570 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.310 5.336 -4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.497 3.210 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.063 3.220 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.135 1.824 -2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.650 2.547 -3.096 1.00 0.00 H new ATOM 793 N ASP A 51 -9.334 4.265 -1.048 1.00 0.00 N ATOM 794 CA ASP A 51 -10.612 4.421 -0.332 1.00 0.00 C ATOM 795 C ASP A 51 -10.422 5.018 1.073 1.00 0.00 C ATOM 796 O ASP A 51 -11.256 5.808 1.528 1.00 0.00 O ATOM 797 CB ASP A 51 -11.347 3.072 -0.251 1.00 0.00 C ATOM 798 CG ASP A 51 -12.533 2.989 -1.222 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.336 3.116 -2.454 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.670 2.793 -0.737 1.00 0.00 O ATOM 0 H ASP A 51 -9.098 3.292 -1.245 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.220 5.125 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.646 2.266 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.704 2.917 0.767 1.00 0.00 H new ATOM 805 N ALA A 52 -9.290 4.741 1.729 1.00 0.00 N ATOM 806 CA ALA A 52 -8.878 5.419 2.962 1.00 0.00 C ATOM 807 C ALA A 52 -8.591 6.927 2.780 1.00 0.00 C ATOM 808 O ALA A 52 -8.451 7.650 3.768 1.00 0.00 O ATOM 809 CB ALA A 52 -7.682 4.674 3.566 1.00 0.00 C ATOM 0 H ALA A 52 -8.627 4.032 1.415 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.719 5.386 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.369 5.172 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.969 3.647 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.857 4.673 2.854 1.00 0.00 H new ATOM 815 N LEU A 53 -8.558 7.413 1.532 1.00 0.00 N ATOM 816 CA LEU A 53 -8.322 8.808 1.141 1.00 0.00 C ATOM 817 C LEU A 53 -9.566 9.446 0.476 1.00 0.00 C ATOM 818 O LEU A 53 -9.601 10.660 0.268 1.00 0.00 O ATOM 819 CB LEU A 53 -7.111 8.884 0.183 1.00 0.00 C ATOM 820 CG LEU A 53 -5.931 7.927 0.455 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.875 8.029 -0.646 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.248 8.188 1.794 1.00 0.00 C ATOM 0 H LEU A 53 -8.704 6.809 0.723 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.112 9.375 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.470 8.698 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.729 9.905 0.203 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.366 6.928 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.055 7.344 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.322 7.767 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.493 9.049 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.427 7.483 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.859 9.206 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.969 8.061 2.601 1.00 0.00 H new ATOM 834 N SER A 54 -10.590 8.638 0.161 1.00 0.00 N ATOM 835 CA SER A 54 -11.803 9.034 -0.582 1.00 0.00 C ATOM 836 C SER A 54 -13.070 9.017 0.288 1.00 0.00 C ATOM 837 O SER A 54 -13.943 9.878 0.154 1.00 0.00 O ATOM 838 CB SER A 54 -11.992 8.071 -1.765 1.00 0.00 C ATOM 839 OG SER A 54 -12.840 8.646 -2.746 1.00 0.00 O ATOM 0 H SER A 54 -10.599 7.653 0.425 1.00 0.00 H new ATOM 0 HA SER A 54 -11.661 10.060 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.024 7.835 -2.207 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.419 7.132 -1.412 1.00 0.00 H new ATOM 0 HG SER A 54 -12.948 8.020 -3.492 1.00 0.00 H new ATOM 845 N ASN A 55 -13.141 8.071 1.231 1.00 0.00 N ATOM 846 CA ASN A 55 -14.230 7.882 2.201 1.00 0.00 C ATOM 847 C ASN A 55 -13.690 7.424 3.572 1.00 0.00 C ATOM 848 O ASN A 55 -14.418 6.817 4.353 1.00 0.00 O ATOM 849 CB ASN A 55 -15.311 6.927 1.625 1.00 0.00 C ATOM 850 CG ASN A 55 -14.779 5.862 0.679 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.779 6.021 -0.533 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.303 4.755 1.191 1.00 0.00 N ATOM 0 H ASN A 55 -12.401 7.378 1.346 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.714 8.843 2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.821 6.436 2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.058 7.521 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.933 4.028 0.579 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.302 4.620 2.202 1.00 0.00 H new ATOM 859 N GLU A 56 -12.405 7.672 3.866 1.00 0.00 N ATOM 860 CA GLU A 56 -11.730 7.276 5.118 1.00 0.00 C ATOM 861 C GLU A 56 -11.914 5.781 5.469 1.00 0.00 C ATOM 862 O GLU A 56 -11.954 5.397 6.639 1.00 0.00 O ATOM 863 CB GLU A 56 -12.126 8.234 6.262 1.00 0.00 C ATOM 864 CG GLU A 56 -11.748 9.689 5.956 1.00 0.00 C ATOM 865 CD GLU A 56 -12.085 10.609 7.146 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.217 11.148 7.204 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.216 10.809 8.032 1.00 0.00 O ATOM 0 H GLU A 56 -11.787 8.167 3.224 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.656 7.376 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.200 8.168 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.636 7.919 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.683 9.753 5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.281 10.028 5.067 1.00 0.00 H new ATOM 874 N CYS A 57 -12.043 4.929 4.438 1.00 0.00 N ATOM 875 CA CYS A 57 -12.318 3.493 4.550 1.00 0.00 C ATOM 876 C CYS A 57 -13.643 3.182 5.291 1.00 0.00 C ATOM 877 O CYS A 57 -13.800 2.113 5.865 1.00 0.00 O ATOM 878 CB CYS A 57 -11.097 2.797 5.187 1.00 0.00 C ATOM 879 SG CYS A 57 -10.634 1.165 4.540 1.00 0.00 S ATOM 0 H CYS A 57 -11.955 5.236 3.469 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.470 3.090 3.549 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.238 3.459 5.078 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.287 2.694 6.255 1.00 0.00 H new ATOM 884 N ALA A 58 -14.623 4.090 5.334 1.00 0.00 N ATOM 885 CA ALA A 58 -15.815 3.926 6.172 1.00 0.00 C ATOM 886 C ALA A 58 -16.704 2.719 5.801 1.00 0.00 C ATOM 887 O ALA A 58 -17.433 2.207 6.657 1.00 0.00 O ATOM 888 CB ALA A 58 -16.606 5.241 6.109 1.00 0.00 C ATOM 0 H ALA A 58 -14.613 4.954 4.792 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.484 3.704 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.503 5.156 6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.987 6.056 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.891 5.445 5.077 1.00 0.00 H new ATOM 894 N LYS A 59 -16.621 2.231 4.554 1.00 0.00 N ATOM 895 CA LYS A 59 -17.283 0.991 4.097 1.00 0.00 C ATOM 896 C LYS A 59 -16.486 -0.300 4.380 1.00 0.00 C ATOM 897 O LYS A 59 -16.993 -1.398 4.141 1.00 0.00 O ATOM 898 CB LYS A 59 -17.617 1.109 2.596 1.00 0.00 C ATOM 899 CG LYS A 59 -18.641 2.209 2.255 1.00 0.00 C ATOM 900 CD LYS A 59 -20.025 1.952 2.873 1.00 0.00 C ATOM 901 CE LYS A 59 -21.033 2.998 2.381 1.00 0.00 C ATOM 902 NZ LYS A 59 -22.387 2.756 2.944 1.00 0.00 N ATOM 0 H LYS A 59 -16.084 2.692 3.819 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.196 0.895 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.696 1.304 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.001 0.151 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.265 3.170 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.740 2.282 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.369 0.953 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.957 1.987 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.693 3.994 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.081 2.975 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -23.044 3.481 2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.721 1.815 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.345 2.803 3.982 1.00 0.00 H new ATOM 916 N CYS A 60 -15.251 -0.188 4.866 1.00 0.00 N ATOM 917 CA CYS A 60 -14.334 -1.291 5.133 1.00 0.00 C ATOM 918 C CYS A 60 -14.678 -2.073 6.409 1.00 0.00 C ATOM 919 O CYS A 60 -15.329 -1.577 7.333 1.00 0.00 O ATOM 920 CB CYS A 60 -12.931 -0.698 5.294 1.00 0.00 C ATOM 921 SG CYS A 60 -12.335 0.248 3.872 1.00 0.00 S ATOM 0 H CYS A 60 -14.844 0.719 5.095 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.404 -1.991 4.301 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.925 -0.051 6.171 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.230 -1.509 5.492 1.00 0.00 H new ATOM 926 N ASN A 61 -14.127 -3.281 6.484 1.00 0.00 N ATOM 927 CA ASN A 61 -13.948 -4.048 7.718 1.00 0.00 C ATOM 928 C ASN A 61 -12.733 -3.530 8.511 1.00 0.00 C ATOM 929 O ASN A 61 -11.761 -3.045 7.929 1.00 0.00 O ATOM 930 CB ASN A 61 -13.806 -5.549 7.376 1.00 0.00 C ATOM 931 CG ASN A 61 -12.756 -5.877 6.319 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.769 -5.366 5.210 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.818 -6.751 6.603 1.00 0.00 N ATOM 0 H ASN A 61 -13.780 -3.772 5.660 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.825 -3.920 8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.561 -6.092 8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.772 -5.920 7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.117 -6.992 5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.791 -7.189 7.524 1.00 0.00 H new ATOM 940 N GLU A 62 -12.758 -3.677 9.839 1.00 0.00 N ATOM 941 CA GLU A 62 -11.696 -3.191 10.742 1.00 0.00 C ATOM 942 C GLU A 62 -10.294 -3.728 10.403 1.00 0.00 C ATOM 943 O GLU A 62 -9.300 -3.011 10.549 1.00 0.00 O ATOM 944 CB GLU A 62 -12.070 -3.482 12.208 1.00 0.00 C ATOM 945 CG GLU A 62 -12.152 -4.975 12.571 1.00 0.00 C ATOM 946 CD GLU A 62 -12.637 -5.166 14.021 1.00 0.00 C ATOM 947 OE1 GLU A 62 -13.870 -5.172 14.254 1.00 0.00 O ATOM 948 OE2 GLU A 62 -11.793 -5.321 14.936 1.00 0.00 O ATOM 0 H GLU A 62 -13.523 -4.142 10.329 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.632 -2.113 10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.335 -3.005 12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.033 -3.018 12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.832 -5.482 11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.172 -5.437 12.448 1.00 0.00 H new ATOM 955 N LYS A 63 -10.219 -4.963 9.880 1.00 0.00 N ATOM 956 CA LYS A 63 -8.962 -5.605 9.464 1.00 0.00 C ATOM 957 C LYS A 63 -8.285 -4.850 8.315 1.00 0.00 C ATOM 958 O LYS A 63 -7.071 -4.675 8.336 1.00 0.00 O ATOM 959 CB LYS A 63 -9.228 -7.079 9.092 1.00 0.00 C ATOM 960 CG LYS A 63 -8.078 -8.028 9.467 1.00 0.00 C ATOM 961 CD LYS A 63 -8.012 -8.306 10.979 1.00 0.00 C ATOM 962 CE LYS A 63 -6.984 -9.407 11.259 1.00 0.00 C ATOM 963 NZ LYS A 63 -6.985 -9.825 12.685 1.00 0.00 N ATOM 0 H LYS A 63 -11.040 -5.550 9.733 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.268 -5.574 10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.139 -7.412 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.408 -7.147 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.200 -8.970 8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.133 -7.596 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.739 -7.396 11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.993 -8.609 11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.198 -10.270 10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.990 -9.052 10.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.067 -9.594 13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.741 -9.324 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.148 -10.850 12.746 1.00 0.00 H new ATOM 977 N GLN A 64 -9.067 -4.353 7.352 1.00 0.00 N ATOM 978 CA GLN A 64 -8.588 -3.478 6.275 1.00 0.00 C ATOM 979 C GLN A 64 -8.327 -2.047 6.758 1.00 0.00 C ATOM 980 O GLN A 64 -7.278 -1.501 6.432 1.00 0.00 O ATOM 981 CB GLN A 64 -9.604 -3.459 5.125 1.00 0.00 C ATOM 982 CG GLN A 64 -9.716 -4.805 4.397 1.00 0.00 C ATOM 983 CD GLN A 64 -8.580 -5.068 3.416 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.405 -5.134 3.750 1.00 0.00 O ATOM 985 NE2 GLN A 64 -8.908 -5.245 2.159 1.00 0.00 N ATOM 0 H GLN A 64 -10.066 -4.550 7.297 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.638 -3.884 5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.583 -3.183 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.319 -2.688 4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.739 -5.606 5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.664 -4.839 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.886 -5.191 1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.185 -5.437 1.465 1.00 0.00 H new ATOM 994 N LYS A 65 -9.226 -1.458 7.567 1.00 0.00 N ATOM 995 CA LYS A 65 -9.035 -0.104 8.144 1.00 0.00 C ATOM 996 C LYS A 65 -7.692 0.052 8.861 1.00 0.00 C ATOM 997 O LYS A 65 -6.954 0.992 8.579 1.00 0.00 O ATOM 998 CB LYS A 65 -10.175 0.309 9.097 1.00 0.00 C ATOM 999 CG LYS A 65 -11.516 0.489 8.375 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.439 1.570 8.965 1.00 0.00 C ATOM 1001 CE LYS A 65 -13.208 1.187 10.236 1.00 0.00 C ATOM 1002 NZ LYS A 65 -12.412 1.374 11.480 1.00 0.00 N ATOM 0 H LYS A 65 -10.103 -1.900 7.842 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.047 0.565 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.285 -0.447 9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.907 1.241 9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.318 0.733 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.046 -0.463 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.837 2.453 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.162 1.857 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.115 1.787 10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.520 0.145 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.985 1.099 12.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.558 0.781 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.136 2.373 11.569 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.353 -0.875 9.757 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.022 -0.917 10.377 1.00 0.00 C ATOM 1018 C GLU A 66 -4.950 -1.389 9.383 1.00 0.00 C ATOM 1019 O GLU A 66 -3.874 -0.797 9.321 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.033 -1.823 11.619 1.00 0.00 C ATOM 1021 CG GLU A 66 -6.843 -1.204 12.766 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.740 -2.054 14.048 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -5.677 -2.021 14.718 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -7.722 -2.745 14.412 1.00 0.00 O ATOM 0 H GLU A 66 -7.983 -1.612 10.073 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.770 0.098 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.455 -2.793 11.358 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.010 -1.999 11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.482 -0.195 12.966 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.888 -1.115 12.469 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.254 -2.414 8.580 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.350 -3.053 7.621 1.00 0.00 C ATOM 1033 C GLY A 67 -3.709 -2.113 6.600 1.00 0.00 C ATOM 1034 O GLY A 67 -2.497 -2.163 6.412 1.00 0.00 O ATOM 0 H GLY A 67 -6.181 -2.840 8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.557 -3.557 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.903 -3.824 7.084 1.00 0.00 H new ATOM 1038 N THR A 68 -4.472 -1.227 5.955 1.00 0.00 N ATOM 1039 CA THR A 68 -3.896 -0.211 5.058 1.00 0.00 C ATOM 1040 C THR A 68 -3.278 0.962 5.809 1.00 0.00 C ATOM 1041 O THR A 68 -2.203 1.409 5.420 1.00 0.00 O ATOM 1042 CB THR A 68 -4.906 0.310 4.031 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.101 0.761 4.630 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.240 -0.802 3.044 1.00 0.00 C ATOM 0 H THR A 68 -5.488 -1.189 6.034 1.00 0.00 H new ATOM 0 HA THR A 68 -3.099 -0.730 4.525 1.00 0.00 H new ATOM 0 HB THR A 68 -4.446 1.159 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.713 1.085 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.959 -0.435 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.331 -1.120 2.533 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.669 -1.648 3.581 1.00 0.00 H new ATOM 1052 N LYS A 69 -3.896 1.446 6.898 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.395 2.596 7.678 1.00 0.00 C ATOM 1054 C LYS A 69 -2.010 2.330 8.275 1.00 0.00 C ATOM 1055 O LYS A 69 -1.125 3.177 8.164 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.442 2.987 8.739 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.130 4.291 9.504 1.00 0.00 C ATOM 1058 CD LYS A 69 -3.281 4.140 10.782 1.00 0.00 C ATOM 1059 CE LYS A 69 -3.947 3.319 11.900 1.00 0.00 C ATOM 1060 NZ LYS A 69 -5.099 4.031 12.517 1.00 0.00 N ATOM 0 H LYS A 69 -4.761 1.051 7.266 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.256 3.445 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.412 3.091 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.532 2.173 9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.613 4.971 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.074 4.765 9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.333 3.670 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.049 5.133 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.287 2.366 11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.209 3.092 12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.514 3.438 13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.772 4.928 12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.817 4.225 11.790 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.789 1.143 8.851 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.460 0.706 9.314 1.00 0.00 C ATOM 1076 C LYS A 70 0.515 0.615 8.136 1.00 0.00 C ATOM 1077 O LYS A 70 1.620 1.143 8.207 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.558 -0.592 10.161 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.801 -1.878 9.350 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.262 -3.115 10.138 1.00 0.00 C ATOM 1081 CE LYS A 70 -0.111 -3.771 10.916 1.00 0.00 C ATOM 1082 NZ LYS A 70 -0.566 -4.988 11.638 1.00 0.00 N ATOM 0 H LYS A 70 -2.525 0.455 9.011 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.048 1.457 9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.364 -0.708 10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.366 -0.477 10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.549 -1.663 8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.122 -2.131 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.051 -2.827 10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.693 -3.842 9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.692 -4.034 10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.302 -3.057 11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.258 -5.569 11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.075 -4.710 12.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.200 -5.539 11.025 1.00 0.00 H new ATOM 1096 N VAL A 71 0.122 -0.021 7.033 1.00 0.00 N ATOM 1097 CA VAL A 71 1.015 -0.309 5.894 1.00 0.00 C ATOM 1098 C VAL A 71 1.467 0.951 5.170 1.00 0.00 C ATOM 1099 O VAL A 71 2.660 1.078 4.910 1.00 0.00 O ATOM 1100 CB VAL A 71 0.351 -1.324 4.951 1.00 0.00 C ATOM 1101 CG1 VAL A 71 1.020 -1.490 3.583 1.00 0.00 C ATOM 1102 CG2 VAL A 71 0.440 -2.671 5.664 1.00 0.00 C ATOM 0 H VAL A 71 -0.831 -0.357 6.897 1.00 0.00 H new ATOM 0 HA VAL A 71 1.928 -0.756 6.286 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.658 -0.965 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.472 -2.229 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.016 -0.535 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.048 -1.825 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.017 -3.442 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.486 -2.921 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.086 -2.614 6.617 1.00 0.00 H new ATOM 1112 N LEU A 72 0.577 1.919 4.954 1.00 0.00 N ATOM 1113 CA LEU A 72 0.899 3.237 4.397 1.00 0.00 C ATOM 1114 C LEU A 72 2.079 3.902 5.113 1.00 0.00 C ATOM 1115 O LEU A 72 2.969 4.420 4.440 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.400 4.072 4.333 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.363 5.585 4.613 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.692 6.147 4.121 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.270 5.903 6.110 1.00 0.00 C ATOM 0 H LEU A 72 -0.414 1.808 5.166 1.00 0.00 H new ATOM 0 HA LEU A 72 1.267 3.141 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.821 3.938 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.103 3.630 5.039 1.00 0.00 H new ATOM 0 HG LEU A 72 0.511 6.011 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.719 7.222 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.798 5.950 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.511 5.671 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.247 6.984 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.137 5.488 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.640 5.464 6.519 1.00 0.00 H new ATOM 1131 N LYS A 73 2.140 3.817 6.451 1.00 0.00 N ATOM 1132 CA LYS A 73 3.173 4.472 7.268 1.00 0.00 C ATOM 1133 C LYS A 73 4.537 3.789 7.117 1.00 0.00 C ATOM 1134 O LYS A 73 5.559 4.452 6.940 1.00 0.00 O ATOM 1135 CB LYS A 73 2.704 4.452 8.736 1.00 0.00 C ATOM 1136 CG LYS A 73 3.691 5.063 9.746 1.00 0.00 C ATOM 1137 CD LYS A 73 4.075 6.527 9.474 1.00 0.00 C ATOM 1138 CE LYS A 73 2.899 7.514 9.539 1.00 0.00 C ATOM 1139 NZ LYS A 73 2.327 7.631 10.910 1.00 0.00 N ATOM 0 H LYS A 73 1.466 3.286 7.002 1.00 0.00 H new ATOM 0 HA LYS A 73 3.306 5.499 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.758 4.989 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.507 3.419 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.255 4.996 10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.599 4.460 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.830 6.832 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.534 6.592 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.234 8.496 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.119 7.191 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.538 8.308 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.982 6.701 11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.062 7.966 11.565 1.00 0.00 H new ATOM 1153 N HIS A 74 4.549 2.455 7.149 1.00 0.00 N ATOM 1154 CA HIS A 74 5.744 1.636 6.896 1.00 0.00 C ATOM 1155 C HIS A 74 6.243 1.820 5.463 1.00 0.00 C ATOM 1156 O HIS A 74 7.440 1.996 5.270 1.00 0.00 O ATOM 1157 CB HIS A 74 5.474 0.148 7.181 1.00 0.00 C ATOM 1158 CG HIS A 74 5.099 -0.156 8.608 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.813 -0.166 9.090 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.915 -0.602 9.612 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.818 -0.648 10.341 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.097 -0.892 10.697 1.00 0.00 N ATOM 0 H HIS A 74 3.717 1.901 7.354 1.00 0.00 H new ATOM 0 HA HIS A 74 6.522 1.977 7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.672 -0.195 6.527 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.364 -0.426 6.922 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.987 0.144 8.578 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.989 -0.708 9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.947 -0.813 10.958 1.00 0.00 H new ATOM 1171 N LEU A 75 5.355 1.844 4.468 1.00 0.00 N ATOM 1172 CA LEU A 75 5.723 2.026 3.061 1.00 0.00 C ATOM 1173 C LEU A 75 6.451 3.361 2.843 1.00 0.00 C ATOM 1174 O LEU A 75 7.518 3.374 2.237 1.00 0.00 O ATOM 1175 CB LEU A 75 4.466 1.957 2.170 1.00 0.00 C ATOM 1176 CG LEU A 75 4.281 0.627 1.424 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.420 -0.605 2.325 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.909 0.628 0.749 1.00 0.00 C ATOM 0 H LEU A 75 4.352 1.737 4.616 1.00 0.00 H new ATOM 0 HA LEU A 75 6.404 1.221 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.587 2.136 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.510 2.765 1.439 1.00 0.00 H new ATOM 0 HG LEU A 75 5.081 0.554 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.277 -1.508 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.414 -0.618 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.668 -0.566 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.765 -0.312 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.132 0.739 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.851 1.458 0.045 1.00 0.00 H new ATOM 1190 N ILE A 76 5.935 4.472 3.381 1.00 0.00 N ATOM 1191 CA ILE A 76 6.621 5.775 3.290 1.00 0.00 C ATOM 1192 C ILE A 76 7.956 5.787 4.065 1.00 0.00 C ATOM 1193 O ILE A 76 8.927 6.380 3.597 1.00 0.00 O ATOM 1194 CB ILE A 76 5.645 6.924 3.654 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.186 8.331 3.348 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.086 6.904 5.081 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.983 9.017 4.469 1.00 0.00 C ATOM 0 H ILE A 76 5.048 4.500 3.883 1.00 0.00 H new ATOM 0 HA ILE A 76 6.918 5.949 2.256 1.00 0.00 H new ATOM 0 HB ILE A 76 4.814 6.707 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.823 8.267 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.343 8.971 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.417 7.753 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.536 5.977 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.908 6.968 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.310 10.001 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.351 9.126 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.854 8.411 4.720 1.00 0.00 H new ATOM 1209 N ASN A 77 8.052 5.073 5.195 1.00 0.00 N ATOM 1210 CA ASN A 77 9.288 4.947 5.992 1.00 0.00 C ATOM 1211 C ASN A 77 10.365 4.022 5.381 1.00 0.00 C ATOM 1212 O ASN A 77 11.555 4.234 5.621 1.00 0.00 O ATOM 1213 CB ASN A 77 8.931 4.470 7.417 1.00 0.00 C ATOM 1214 CG ASN A 77 8.608 5.635 8.333 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.407 6.028 9.170 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.457 6.244 8.179 1.00 0.00 N ATOM 0 H ASN A 77 7.265 4.558 5.590 1.00 0.00 H new ATOM 0 HA ASN A 77 9.737 5.940 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.077 3.795 7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.764 3.902 7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.225 7.050 8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.794 5.912 7.479 1.00 0.00 H new ATOM 1223 N HIS A 78 9.968 3.002 4.609 1.00 0.00 N ATOM 1224 CA HIS A 78 10.855 1.914 4.133 1.00 0.00 C ATOM 1225 C HIS A 78 11.021 1.820 2.611 1.00 0.00 C ATOM 1226 O HIS A 78 12.016 1.273 2.132 1.00 0.00 O ATOM 1227 CB HIS A 78 10.342 0.568 4.664 1.00 0.00 C ATOM 1228 CG HIS A 78 10.526 0.380 6.152 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.731 0.135 6.787 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.546 0.393 7.108 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.491 0.007 8.107 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.169 0.165 8.325 1.00 0.00 N ATOM 0 H HIS A 78 9.005 2.901 4.288 1.00 0.00 H new ATOM 0 HA HIS A 78 11.843 2.159 4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.282 0.476 4.425 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.858 -0.237 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.490 0.551 6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.234 -0.190 8.865 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.706 0.124 9.233 1.00 0.00 H new ATOM 1241 N LYS A 79 10.080 2.375 1.848 1.00 0.00 N ATOM 1242 CA LYS A 79 10.071 2.463 0.380 1.00 0.00 C ATOM 1243 C LYS A 79 9.739 3.896 -0.072 1.00 0.00 C ATOM 1244 O LYS A 79 8.808 4.085 -0.848 1.00 0.00 O ATOM 1245 CB LYS A 79 9.108 1.392 -0.189 1.00 0.00 C ATOM 1246 CG LYS A 79 9.706 -0.016 -0.323 1.00 0.00 C ATOM 1247 CD LYS A 79 10.597 -0.185 -1.567 1.00 0.00 C ATOM 1248 CE LYS A 79 11.977 0.478 -1.430 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.984 -0.130 -2.343 1.00 0.00 N ATOM 0 H LYS A 79 9.251 2.803 2.259 1.00 0.00 H new ATOM 0 HA LYS A 79 11.061 2.249 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.230 1.337 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.765 1.719 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.292 -0.240 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.896 -0.744 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.732 -1.248 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.084 0.238 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.890 1.543 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.321 0.388 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.899 0.347 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.087 -1.141 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.669 -0.022 -3.328 1.00 0.00 H new ATOM 1263 N PRO A 80 10.493 4.917 0.378 1.00 0.00 N ATOM 1264 CA PRO A 80 10.188 6.329 0.111 1.00 0.00 C ATOM 1265 C PRO A 80 10.187 6.670 -1.392 1.00 0.00 C ATOM 1266 O PRO A 80 9.313 7.393 -1.872 1.00 0.00 O ATOM 1267 CB PRO A 80 11.256 7.118 0.880 1.00 0.00 C ATOM 1268 CG PRO A 80 12.432 6.144 0.961 1.00 0.00 C ATOM 1269 CD PRO A 80 11.756 4.783 1.093 1.00 0.00 C ATOM 0 HA PRO A 80 9.179 6.581 0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.530 8.035 0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.905 7.407 1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.059 6.196 0.071 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.073 6.359 1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.371 3.993 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.592 4.524 2.139 1.00 0.00 H new ATOM 1277 N ASP A 81 11.132 6.107 -2.150 1.00 0.00 N ATOM 1278 CA ASP A 81 11.242 6.294 -3.606 1.00 0.00 C ATOM 1279 C ASP A 81 10.062 5.693 -4.401 1.00 0.00 C ATOM 1280 O ASP A 81 9.607 6.289 -5.380 1.00 0.00 O ATOM 1281 CB ASP A 81 12.572 5.687 -4.075 1.00 0.00 C ATOM 1282 CG ASP A 81 12.826 5.941 -5.572 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.216 7.076 -5.934 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.657 4.999 -6.381 1.00 0.00 O ATOM 0 H ASP A 81 11.855 5.498 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 81 11.210 7.365 -3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.390 6.111 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.568 4.614 -3.885 1.00 0.00 H new ATOM 1289 N VAL A 82 9.534 4.535 -3.978 1.00 0.00 N ATOM 1290 CA VAL A 82 8.336 3.917 -4.587 1.00 0.00 C ATOM 1291 C VAL A 82 7.048 4.557 -4.066 1.00 0.00 C ATOM 1292 O VAL A 82 6.124 4.801 -4.840 1.00 0.00 O ATOM 1293 CB VAL A 82 8.308 2.392 -4.381 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.053 1.777 -5.008 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.533 1.730 -5.026 1.00 0.00 C ATOM 0 H VAL A 82 9.922 3.996 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 82 8.397 4.104 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 82 8.311 2.216 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.058 0.699 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.166 2.209 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.041 1.985 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.490 0.653 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.538 1.939 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.442 2.128 -4.574 1.00 0.00 H new ATOM 1305 N TRP A 83 6.994 4.904 -2.778 1.00 0.00 N ATOM 1306 CA TRP A 83 5.900 5.671 -2.179 1.00 0.00 C ATOM 1307 C TRP A 83 5.587 6.953 -2.961 1.00 0.00 C ATOM 1308 O TRP A 83 4.420 7.204 -3.256 1.00 0.00 O ATOM 1309 CB TRP A 83 6.241 5.996 -0.720 1.00 0.00 C ATOM 1310 CG TRP A 83 5.404 7.094 -0.150 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.813 8.366 0.056 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.978 7.079 0.142 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.748 9.132 0.483 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.588 8.392 0.547 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.974 6.092 0.068 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.264 8.711 0.872 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.636 6.408 0.359 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.285 7.712 0.747 1.00 0.00 C ATOM 0 H TRP A 83 7.723 4.655 -2.110 1.00 0.00 H new ATOM 0 HA TRP A 83 5.001 5.056 -2.217 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.112 5.098 -0.115 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.292 6.277 -0.653 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.820 8.727 -0.091 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.812 10.122 0.721 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.236 5.083 -0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.002 9.702 1.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.875 5.646 0.284 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.251 7.949 0.951 1.00 0.00 H new ATOM 1329 N ALA A 84 6.603 7.715 -3.383 1.00 0.00 N ATOM 1330 CA ALA A 84 6.440 8.903 -4.226 1.00 0.00 C ATOM 1331 C ALA A 84 5.635 8.640 -5.517 1.00 0.00 C ATOM 1332 O ALA A 84 4.965 9.555 -5.995 1.00 0.00 O ATOM 1333 CB ALA A 84 7.837 9.460 -4.533 1.00 0.00 C ATOM 0 H ALA A 84 7.575 7.520 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 84 5.847 9.636 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.745 10.347 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.336 9.725 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.423 8.704 -5.056 1.00 0.00 H new ATOM 1339 N GLN A 85 5.653 7.412 -6.048 1.00 0.00 N ATOM 1340 CA GLN A 85 4.862 6.975 -7.209 1.00 0.00 C ATOM 1341 C GLN A 85 3.401 6.668 -6.836 1.00 0.00 C ATOM 1342 O GLN A 85 2.489 7.035 -7.580 1.00 0.00 O ATOM 1343 CB GLN A 85 5.518 5.739 -7.865 1.00 0.00 C ATOM 1344 CG GLN A 85 7.042 5.904 -7.986 1.00 0.00 C ATOM 1345 CD GLN A 85 7.706 4.929 -8.957 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.184 4.585 -10.008 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.894 4.451 -8.647 1.00 0.00 N ATOM 0 H GLN A 85 6.239 6.668 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 85 4.847 7.800 -7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.293 4.851 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.089 5.581 -8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.261 6.923 -8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.489 5.777 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.343 4.728 -7.774 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.364 3.804 -9.280 1.00 0.00 H new ATOM 1356 N LEU A 86 3.177 6.057 -5.663 1.00 0.00 N ATOM 1357 CA LEU A 86 1.838 5.825 -5.083 1.00 0.00 C ATOM 1358 C LEU A 86 1.115 7.164 -4.911 1.00 0.00 C ATOM 1359 O LEU A 86 0.130 7.434 -5.600 1.00 0.00 O ATOM 1360 CB LEU A 86 1.968 5.089 -3.722 1.00 0.00 C ATOM 1361 CG LEU A 86 0.711 4.494 -3.050 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.316 5.537 -2.612 1.00 0.00 C ATOM 1363 CD2 LEU A 86 0.017 3.457 -3.926 1.00 0.00 C ATOM 0 H LEU A 86 3.933 5.702 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 86 1.254 5.197 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.680 4.275 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.415 5.788 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 86 1.100 4.013 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.167 5.038 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.140 6.217 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.654 6.102 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.860 3.070 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.291 3.920 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.705 2.638 -4.135 1.00 0.00 H new ATOM 1375 N LYS A 87 1.660 8.042 -4.057 1.00 0.00 N ATOM 1376 CA LYS A 87 1.064 9.345 -3.718 1.00 0.00 C ATOM 1377 C LYS A 87 0.874 10.266 -4.921 1.00 0.00 C ATOM 1378 O LYS A 87 -0.040 11.076 -4.919 1.00 0.00 O ATOM 1379 CB LYS A 87 1.846 10.072 -2.613 1.00 0.00 C ATOM 1380 CG LYS A 87 3.369 10.044 -2.801 1.00 0.00 C ATOM 1381 CD LYS A 87 4.069 11.353 -2.443 1.00 0.00 C ATOM 1382 CE LYS A 87 4.020 12.378 -3.581 1.00 0.00 C ATOM 1383 NZ LYS A 87 5.008 12.135 -4.669 1.00 0.00 N ATOM 0 H LYS A 87 2.541 7.865 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 87 0.070 9.104 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.515 11.110 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.601 9.620 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.785 9.244 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.591 9.799 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.602 11.779 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.109 11.147 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.018 12.379 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.191 13.372 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.876 12.840 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.972 12.213 -4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.867 11.181 -5.059 1.00 0.00 H new ATOM 1397 N ALA A 88 1.705 10.155 -5.953 1.00 0.00 N ATOM 1398 CA ALA A 88 1.586 10.988 -7.154 1.00 0.00 C ATOM 1399 C ALA A 88 0.294 10.698 -7.936 1.00 0.00 C ATOM 1400 O ALA A 88 -0.433 11.627 -8.297 1.00 0.00 O ATOM 1401 CB ALA A 88 2.812 10.773 -8.043 1.00 0.00 C ATOM 0 H ALA A 88 2.478 9.490 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 88 1.537 12.030 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.726 11.391 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.712 11.051 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.872 9.724 -8.332 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.010 9.415 -8.176 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.241 8.992 -8.862 1.00 0.00 C ATOM 1409 C LYS A 89 -2.462 9.004 -7.932 1.00 0.00 C ATOM 1410 O LYS A 89 -3.568 9.312 -8.373 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.003 7.619 -9.517 1.00 0.00 C ATOM 1412 CG LYS A 89 -1.992 7.363 -10.668 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.630 6.121 -11.500 1.00 0.00 C ATOM 1414 CE LYS A 89 -1.882 4.786 -10.783 1.00 0.00 C ATOM 1415 NZ LYS A 89 -3.332 4.456 -10.717 1.00 0.00 N ATOM 0 H LYS A 89 0.591 8.639 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.478 9.713 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.018 7.567 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.105 6.835 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.995 7.241 -10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.018 8.236 -11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.205 6.137 -12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.578 6.178 -11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.352 3.989 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.474 4.834 -9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.459 3.548 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.835 5.204 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.716 4.385 -11.681 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.261 8.691 -6.648 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.327 8.595 -5.640 1.00 0.00 C ATOM 1431 C TYR A 90 -3.703 9.951 -5.012 1.00 0.00 C ATOM 1432 O TYR A 90 -4.807 10.087 -4.488 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.925 7.586 -4.546 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.118 6.109 -4.885 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -2.993 5.606 -6.199 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.390 5.215 -3.834 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.154 4.231 -6.459 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.521 3.835 -4.087 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.429 3.339 -5.405 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.610 2.015 -5.664 1.00 0.00 O ATOM 0 H TYR A 90 -1.334 8.493 -6.270 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.219 8.245 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.875 7.747 -4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.500 7.809 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.772 6.282 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.499 5.589 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.066 3.860 -7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.693 3.153 -3.267 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.191 1.624 -4.978 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.821 10.953 -5.077 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.015 12.291 -4.502 1.00 0.00 C ATOM 1452 C ASP A 91 -2.276 13.371 -5.333 1.00 0.00 C ATOM 1453 O ASP A 91 -1.227 13.882 -4.918 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.585 12.305 -3.024 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.984 13.626 -2.323 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.611 14.512 -2.957 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.640 13.795 -1.132 1.00 0.00 O ATOM 0 H ASP A 91 -1.921 10.853 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.076 12.536 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.044 11.464 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.505 12.170 -2.958 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.789 13.728 -6.528 1.00 0.00 N ATOM 1463 CA PRO A 92 -2.113 14.622 -7.478 1.00 0.00 C ATOM 1464 C PRO A 92 -1.933 16.078 -6.996 1.00 0.00 C ATOM 1465 O PRO A 92 -1.260 16.863 -7.666 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.948 14.545 -8.763 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.346 14.217 -8.245 1.00 0.00 C ATOM 1468 CD PRO A 92 -4.057 13.275 -7.082 1.00 0.00 C ATOM 0 HA PRO A 92 -1.084 14.292 -7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.932 15.487 -9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.577 13.775 -9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.878 15.111 -7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.960 13.741 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.850 13.317 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.992 12.241 -7.420 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.489 16.443 -5.835 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.333 17.755 -5.187 1.00 0.00 C ATOM 1478 C ASP A 93 -1.561 17.682 -3.848 1.00 0.00 C ATOM 1479 O ASP A 93 -1.238 18.721 -3.264 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.722 18.380 -4.989 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.385 18.767 -6.321 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.976 19.789 -6.925 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.334 18.073 -6.759 1.00 0.00 O ATOM 0 H ASP A 93 -3.083 15.810 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.729 18.383 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.362 17.675 -4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.633 19.266 -4.360 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.239 16.478 -3.359 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.582 16.241 -2.062 1.00 0.00 C ATOM 1490 C GLY A 94 -1.398 16.683 -0.833 1.00 0.00 C ATOM 1491 O GLY A 94 -0.832 16.873 0.248 1.00 0.00 O ATOM 0 H GLY A 94 -1.433 15.615 -3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.363 15.177 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.373 16.765 -2.054 1.00 0.00 H new ATOM 1495 N THR A 95 -2.707 16.906 -0.994 1.00 0.00 N ATOM 1496 CA THR A 95 -3.607 17.498 0.013 1.00 0.00 C ATOM 1497 C THR A 95 -3.770 16.638 1.273 1.00 0.00 C ATOM 1498 O THR A 95 -3.992 17.191 2.354 1.00 0.00 O ATOM 1499 CB THR A 95 -4.989 17.772 -0.609 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.850 18.520 -1.801 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.930 18.574 0.292 1.00 0.00 C ATOM 0 H THR A 95 -3.191 16.672 -1.861 1.00 0.00 H new ATOM 0 HA THR A 95 -3.139 18.431 0.329 1.00 0.00 H new ATOM 0 HB THR A 95 -5.418 16.784 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.735 18.686 -2.188 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.881 18.725 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.098 18.028 1.220 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.482 19.542 0.517 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.620 15.313 1.174 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.765 14.386 2.307 1.00 0.00 C ATOM 1511 C TYR A 96 -2.587 13.417 2.481 1.00 0.00 C ATOM 1512 O TYR A 96 -2.375 12.960 3.604 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.116 13.653 2.266 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.576 13.276 0.879 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.051 12.134 0.250 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.470 14.120 0.195 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.417 11.843 -1.074 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.832 13.832 -1.131 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.308 12.688 -1.773 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.656 12.404 -3.058 1.00 0.00 O ATOM 0 H TYR A 96 -3.392 14.846 0.296 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.748 15.010 3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.044 12.749 2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.874 14.286 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.371 11.485 0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.878 14.989 0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.015 10.967 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.511 14.485 -1.660 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.062 11.710 -3.412 1.00 0.00 H new ATOM 1530 N SER A 97 -1.757 13.169 1.459 1.00 0.00 N ATOM 1531 CA SER A 97 -0.522 12.381 1.605 1.00 0.00 C ATOM 1532 C SER A 97 0.386 12.951 2.709 1.00 0.00 C ATOM 1533 O SER A 97 0.858 12.223 3.587 1.00 0.00 O ATOM 1534 CB SER A 97 0.229 12.269 0.268 1.00 0.00 C ATOM 1535 OG SER A 97 0.856 13.479 -0.123 1.00 0.00 O ATOM 0 H SER A 97 -1.920 13.507 0.510 1.00 0.00 H new ATOM 0 HA SER A 97 -0.811 11.375 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.983 11.486 0.346 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.470 11.962 -0.510 1.00 0.00 H new ATOM 0 HG SER A 97 1.808 13.442 0.105 1.00 0.00 H new ATOM 1541 N LYS A 98 0.537 14.283 2.739 1.00 0.00 N ATOM 1542 CA LYS A 98 1.313 15.039 3.735 1.00 0.00 C ATOM 1543 C LYS A 98 0.872 14.853 5.191 1.00 0.00 C ATOM 1544 O LYS A 98 1.685 15.087 6.081 1.00 0.00 O ATOM 1545 CB LYS A 98 1.356 16.530 3.348 1.00 0.00 C ATOM 1546 CG LYS A 98 2.452 16.799 2.302 1.00 0.00 C ATOM 1547 CD LYS A 98 2.442 18.245 1.782 1.00 0.00 C ATOM 1548 CE LYS A 98 2.655 19.331 2.852 1.00 0.00 C ATOM 1549 NZ LYS A 98 4.054 19.388 3.358 1.00 0.00 N ATOM 0 H LYS A 98 0.104 14.889 2.042 1.00 0.00 H new ATOM 0 HA LYS A 98 2.317 14.615 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.387 16.834 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.540 17.134 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.426 16.583 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.322 16.116 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.220 18.347 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.489 18.429 1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.387 20.301 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.980 19.146 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.253 20.342 3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.175 18.693 4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.713 19.169 2.583 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.357 14.401 5.476 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.815 14.124 6.856 1.00 0.00 C ATOM 1565 C LYS A 99 0.043 13.069 7.582 1.00 0.00 C ATOM 1566 O LYS A 99 0.053 13.043 8.814 1.00 0.00 O ATOM 1567 CB LYS A 99 -2.305 13.733 6.861 1.00 0.00 C ATOM 1568 CG LYS A 99 -3.251 14.814 6.296 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.299 16.140 7.073 1.00 0.00 C ATOM 1570 CE LYS A 99 -3.825 15.954 8.503 1.00 0.00 C ATOM 1571 NZ LYS A 99 -3.986 17.259 9.199 1.00 0.00 N ATOM 0 H LYS A 99 -1.063 14.216 4.764 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.690 15.048 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.430 12.819 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.604 13.504 7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.954 15.028 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.259 14.402 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.300 16.575 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.936 16.848 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.783 15.435 8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.137 15.323 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.343 17.097 10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.066 17.743 9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.661 17.851 8.675 1.00 0.00 H new ATOM 1585 N TYR A 100 0.786 12.242 6.839 1.00 0.00 N ATOM 1586 CA TYR A 100 1.687 11.203 7.364 1.00 0.00 C ATOM 1587 C TYR A 100 3.010 11.070 6.578 1.00 0.00 C ATOM 1588 O TYR A 100 4.005 10.628 7.148 1.00 0.00 O ATOM 1589 CB TYR A 100 0.926 9.868 7.421 1.00 0.00 C ATOM 1590 CG TYR A 100 0.083 9.634 6.190 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.659 9.061 5.046 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -1.239 10.116 6.151 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -0.078 8.997 3.856 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.965 10.082 4.951 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.389 9.524 3.792 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.123 9.430 2.649 1.00 0.00 O ATOM 0 H TYR A 100 0.778 12.276 5.820 1.00 0.00 H new ATOM 0 HA TYR A 100 1.990 11.504 8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.639 9.051 7.531 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.287 9.854 8.304 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.666 8.671 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.695 10.513 7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.359 8.541 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.967 10.484 4.915 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.000 9.845 2.788 1.00 0.00 H new ATOM 1606 N GLU A 101 3.077 11.500 5.312 1.00 0.00 N ATOM 1607 CA GLU A 101 4.328 11.616 4.536 1.00 0.00 C ATOM 1608 C GLU A 101 5.308 12.636 5.145 1.00 0.00 C ATOM 1609 O GLU A 101 6.515 12.395 5.228 1.00 0.00 O ATOM 1610 CB GLU A 101 3.956 12.026 3.101 1.00 0.00 C ATOM 1611 CG GLU A 101 5.125 12.315 2.149 1.00 0.00 C ATOM 1612 CD GLU A 101 4.664 12.929 0.808 1.00 0.00 C ATOM 1613 OE1 GLU A 101 3.445 13.141 0.595 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.543 13.192 -0.046 1.00 0.00 O ATOM 0 H GLU A 101 2.251 11.783 4.785 1.00 0.00 H new ATOM 0 HA GLU A 101 4.840 10.654 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.349 11.232 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.329 12.916 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.824 12.996 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.666 11.389 1.953 1.00 0.00 H new ATOM 1621 N ASP A 102 4.781 13.777 5.603 1.00 0.00 N ATOM 1622 CA ASP A 102 5.555 14.896 6.157 1.00 0.00 C ATOM 1623 C ASP A 102 6.352 14.509 7.421 1.00 0.00 C ATOM 1624 O ASP A 102 7.354 15.150 7.748 1.00 0.00 O ATOM 1625 CB ASP A 102 4.601 16.076 6.399 1.00 0.00 C ATOM 1626 CG ASP A 102 5.311 17.431 6.423 1.00 0.00 C ATOM 1627 OD1 ASP A 102 5.516 17.998 5.320 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.647 17.943 7.514 1.00 0.00 O ATOM 0 H ASP A 102 3.776 13.953 5.599 1.00 0.00 H new ATOM 0 HA ASP A 102 6.316 15.191 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.840 16.086 5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.083 15.928 7.347 1.00 0.00 H new ATOM 1633 N ARG A 103 5.934 13.428 8.103 1.00 0.00 N ATOM 1634 CA ARG A 103 6.618 12.802 9.249 1.00 0.00 C ATOM 1635 C ARG A 103 8.075 12.422 8.959 1.00 0.00 C ATOM 1636 O ARG A 103 8.906 12.491 9.862 1.00 0.00 O ATOM 1637 CB ARG A 103 5.813 11.558 9.687 1.00 0.00 C ATOM 1638 CG ARG A 103 6.141 11.017 11.088 1.00 0.00 C ATOM 1639 CD ARG A 103 5.872 12.031 12.208 1.00 0.00 C ATOM 1640 NE ARG A 103 5.931 11.388 13.537 1.00 0.00 N ATOM 1641 CZ ARG A 103 4.918 10.962 14.274 1.00 0.00 C ATOM 1642 NH1 ARG A 103 3.676 11.086 13.895 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.136 10.389 15.422 1.00 0.00 N ATOM 0 H ARG A 103 5.070 12.944 7.859 1.00 0.00 H new ATOM 0 HA ARG A 103 6.659 13.539 10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.751 11.802 9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.982 10.763 8.961 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.551 10.119 11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.190 10.721 11.119 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.606 12.836 12.158 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.891 12.484 12.064 1.00 0.00 H new ATOM 0 HE ARG A 103 6.862 11.257 13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.457 11.525 13.001 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.924 10.744 14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.091 10.266 15.758 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.351 10.062 15.986 1.00 0.00 H new ATOM 1657 N GLU A 104 8.390 12.066 7.710 1.00 0.00 N ATOM 1658 CA GLU A 104 9.734 11.634 7.292 1.00 0.00 C ATOM 1659 C GLU A 104 10.339 12.525 6.194 1.00 0.00 C ATOM 1660 O GLU A 104 11.518 12.870 6.286 1.00 0.00 O ATOM 1661 CB GLU A 104 9.705 10.180 6.800 1.00 0.00 C ATOM 1662 CG GLU A 104 9.221 9.159 7.836 1.00 0.00 C ATOM 1663 CD GLU A 104 10.040 9.183 9.147 1.00 0.00 C ATOM 1664 OE1 GLU A 104 11.295 9.190 9.092 1.00 0.00 O ATOM 1665 OE2 GLU A 104 9.429 9.198 10.243 1.00 0.00 O ATOM 0 H GLU A 104 7.712 12.069 6.948 1.00 0.00 H new ATOM 0 HA GLU A 104 10.367 11.721 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.060 10.121 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.708 9.901 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.174 9.354 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.271 8.160 7.403 1.00 0.00 H new ATOM 1672 N LYS A 105 9.533 12.927 5.192 1.00 0.00 N ATOM 1673 CA LYS A 105 9.868 13.845 4.074 1.00 0.00 C ATOM 1674 C LYS A 105 11.267 13.695 3.431 1.00 0.00 C ATOM 1675 O LYS A 105 11.842 14.680 2.972 1.00 0.00 O ATOM 1676 CB LYS A 105 9.546 15.301 4.485 1.00 0.00 C ATOM 1677 CG LYS A 105 10.401 15.836 5.652 1.00 0.00 C ATOM 1678 CD LYS A 105 10.333 17.358 5.857 1.00 0.00 C ATOM 1679 CE LYS A 105 8.916 17.875 6.147 1.00 0.00 C ATOM 1680 NZ LYS A 105 8.220 18.341 4.920 1.00 0.00 N ATOM 0 H LYS A 105 8.568 12.601 5.134 1.00 0.00 H new ATOM 0 HA LYS A 105 9.225 13.536 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 105 9.686 15.950 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.494 15.363 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.083 15.345 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.440 15.553 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.988 17.635 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.717 17.854 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.332 17.082 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.971 18.695 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.219 18.061 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.287 19.377 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.666 17.912 4.084 1.00 0.00 H new ATOM 1694 N GLU A 106 11.835 12.486 3.404 1.00 0.00 N ATOM 1695 CA GLU A 106 13.261 12.255 3.088 1.00 0.00 C ATOM 1696 C GLU A 106 13.708 12.762 1.703 1.00 0.00 C ATOM 1697 O GLU A 106 14.851 13.199 1.544 1.00 0.00 O ATOM 1698 CB GLU A 106 13.606 10.762 3.217 1.00 0.00 C ATOM 1699 CG GLU A 106 13.464 10.243 4.651 1.00 0.00 C ATOM 1700 CD GLU A 106 14.028 8.816 4.777 1.00 0.00 C ATOM 1701 OE1 GLU A 106 13.285 7.840 4.511 1.00 0.00 O ATOM 1702 OE2 GLU A 106 15.221 8.659 5.140 1.00 0.00 O ATOM 0 H GLU A 106 11.320 11.628 3.601 1.00 0.00 H new ATOM 0 HA GLU A 106 13.809 12.847 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.955 10.185 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.628 10.599 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.990 10.908 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.414 10.250 4.942 1.00 0.00 H new ATOM 1709 N LEU A 107 12.815 12.749 0.706 1.00 0.00 N ATOM 1710 CA LEU A 107 13.024 13.331 -0.614 1.00 0.00 C ATOM 1711 C LEU A 107 12.833 14.864 -0.559 1.00 0.00 C ATOM 1712 O LEU A 107 11.805 15.408 -0.973 1.00 0.00 O ATOM 1713 CB LEU A 107 12.108 12.577 -1.599 1.00 0.00 C ATOM 1714 CG LEU A 107 12.191 13.052 -3.057 1.00 0.00 C ATOM 1715 CD1 LEU A 107 13.616 13.054 -3.618 1.00 0.00 C ATOM 1716 CD2 LEU A 107 11.326 12.156 -3.944 1.00 0.00 C ATOM 0 H LEU A 107 11.897 12.316 0.805 1.00 0.00 H new ATOM 0 HA LEU A 107 14.046 13.208 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.357 11.516 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.077 12.674 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 107 11.833 14.082 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 107 13.600 13.400 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.241 13.719 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.023 12.044 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.389 12.498 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.682 11.128 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 107 10.290 12.203 -3.608 1.00 0.00 H new ATOM 1728 N HIS A 108 13.820 15.558 0.017 1.00 0.00 N ATOM 1729 CA HIS A 108 13.912 17.029 0.062 1.00 0.00 C ATOM 1730 C HIS A 108 13.999 17.666 -1.345 1.00 0.00 C ATOM 1731 O HIS A 108 14.234 16.974 -2.342 1.00 0.00 O ATOM 1732 CB HIS A 108 15.122 17.433 0.930 1.00 0.00 C ATOM 1733 CG HIS A 108 15.118 16.868 2.334 1.00 0.00 C ATOM 1734 ND1 HIS A 108 16.208 16.327 2.995 1.00 0.00 N ATOM 1735 CD2 HIS A 108 14.052 16.822 3.191 1.00 0.00 C ATOM 1736 CE1 HIS A 108 15.809 15.953 4.227 1.00 0.00 C ATOM 1737 NE2 HIS A 108 14.498 16.242 4.366 1.00 0.00 N ATOM 0 H HIS A 108 14.605 15.100 0.481 1.00 0.00 H new ATOM 0 HA HIS A 108 12.994 17.411 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 108 16.034 17.111 0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 108 15.159 18.521 0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.051 17.172 2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.435 15.497 4.979 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.932 16.063 5.196 1.00 0.00 H new ATOM 1746 N GLN A 109 13.867 18.997 -1.411 1.00 0.00 N ATOM 1747 CA GLN A 109 13.937 19.821 -2.638 1.00 0.00 C ATOM 1748 C GLN A 109 15.068 20.867 -2.596 1.00 0.00 C ATOM 1749 O GLN A 109 15.571 21.236 -3.681 1.00 0.00 O ATOM 1750 CB GLN A 109 12.561 20.452 -2.935 1.00 0.00 C ATOM 1751 CG GLN A 109 12.104 21.501 -1.900 1.00 0.00 C ATOM 1752 CD GLN A 109 10.750 22.149 -2.223 1.00 0.00 C ATOM 1753 OE1 GLN A 109 10.235 22.111 -3.335 1.00 0.00 O ATOM 1754 NE2 GLN A 109 10.110 22.780 -1.258 1.00 0.00 N ATOM 1755 OXT GLN A 109 15.460 21.301 -1.487 1.00 0.00 O ATOM 0 H GLN A 109 13.701 19.560 -0.577 1.00 0.00 H new ATOM 0 HA GLN A 109 14.193 19.159 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 109 12.594 20.921 -3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.814 19.659 -2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 109 12.044 21.027 -0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 109 12.861 22.282 -1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 109 10.515 22.827 -0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.210 23.221 -1.446 1.00 0.00 H new TER 1764 GLN A 109