USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 962 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 101 GLN : amide:sc= 1.02 K(o=2.6,f=-0.032) USER MOD Set 1.2: A 105 ASN : amide:sc= 1.56 K(o=2.6,f=-0.032) USER MOD Set 2.1: A 99 SER OG : rot -163:sc= -0.902 USER MOD Set 2.2: A 102 GLN : amide:sc= -2.96! C(o=-3.9!,f=-8.8!) USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 77 HIS : no HD1:sc=-0.000684 X(o=-0.00068,f=-0.00068) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -138:sc= -1.66! (180deg=-5.67!) USER MOD Set 4.2: A 49 SER OG : rot -160:sc= 0.989 USER MOD Set 4.3: A 80 THR OG1 : rot 180:sc= -0.0129 USER MOD Set 5.1: A 19 SER OG : rot 120:sc= 0.978 USER MOD Set 5.2: A 30 LYS NZ :NH3+ -168:sc= 1.06 (180deg=-0.0152) USER MOD Set 6.1: A 11 MET CE :methyl 141:sc= -1.17 (180deg=-3.91!) USER MOD Set 6.2: A 18 GLN :FLIP amide:sc= -0.421 F(o=-2.8,f=-1.6) USER MOD Single : A 1 MET CE :methyl 173:sc= -0.296 (180deg=-0.432) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.531 USER MOD Single : A 4 SER OG : rot 180:sc= 0.00416 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 57:sc= 0.624 USER MOD Single : A 13 LYS NZ :NH3+ -124:sc= 1.29 (180deg=0.278) USER MOD Single : A 21 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.104 K(o=0.1,f=-3.6!) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0685 (180deg=-0.351) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.955 K(o=-0.95,f=-4.7!) USER MOD Single : A 38 MET CE :methyl 143:sc= -0.403 (180deg=-1.78) USER MOD Single : A 44 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.75) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -11:sc= 0.214 USER MOD Single : A 62 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0.032) USER MOD Single : A 65 SER OG : rot 130:sc= 0 USER MOD Single : A 70 SER OG : rot 150:sc= -0.0106 USER MOD Single : A 72 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.00094) USER MOD Single : A 74 ASN : amide:sc= -1.85! X(o=-1.8!,f=-2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.288 USER MOD Single : A 82 TYR OH : rot 90:sc= -0.194 USER MOD Single : A 86 SER OG : rot -49:sc= -0.496 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 91 GLN : amide:sc= -0.0972 K(o=-0.097,f=-0.74) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 26:sc= 1.3 USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= 1.2 (180deg=0.755) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.111 -10.529 11.721 1.00 0.00 N ATOM 2 CA MET A 1 -4.359 -9.821 11.369 1.00 0.00 C ATOM 3 C MET A 1 -5.004 -10.463 10.148 1.00 0.00 C ATOM 4 O MET A 1 -4.328 -11.117 9.350 1.00 0.00 O ATOM 5 CB MET A 1 -4.072 -8.346 11.061 1.00 0.00 C ATOM 6 CG MET A 1 -3.392 -8.126 9.714 1.00 0.00 C ATOM 7 SD MET A 1 -3.085 -6.387 9.356 1.00 0.00 S ATOM 8 CE MET A 1 -1.835 -6.017 10.580 1.00 0.00 C ATOM 0 H1 MET A 1 -2.681 -10.081 12.555 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.325 -11.524 11.934 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.447 -10.481 10.922 1.00 0.00 H new ATOM 0 HA MET A 1 -5.036 -9.889 12.220 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.009 -7.790 11.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.441 -7.935 11.849 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.446 -8.667 9.698 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.014 -8.549 8.926 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.447 -5.012 10.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.273 -6.075 11.576 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.022 -6.738 10.499 1.00 0.00 H new ATOM 20 N THR A 2 -6.309 -10.292 10.020 1.00 0.00 N ATOM 21 CA THR A 2 -7.010 -10.666 8.809 1.00 0.00 C ATOM 22 C THR A 2 -7.052 -9.475 7.865 1.00 0.00 C ATOM 23 O THR A 2 -6.716 -8.355 8.257 1.00 0.00 O ATOM 24 CB THR A 2 -8.451 -11.130 9.107 1.00 0.00 C ATOM 25 OG1 THR A 2 -9.171 -10.086 9.780 1.00 0.00 O ATOM 26 CG2 THR A 2 -8.453 -12.391 9.958 1.00 0.00 C ATOM 0 H THR A 2 -6.905 -9.894 10.746 1.00 0.00 H new ATOM 0 HA THR A 2 -6.474 -11.497 8.351 1.00 0.00 H new ATOM 0 HB THR A 2 -8.940 -11.356 8.159 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.085 -10.386 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.481 -12.696 10.153 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.932 -13.188 9.428 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.948 -12.193 10.903 1.00 0.00 H new ATOM 34 N ILE A 3 -7.465 -9.704 6.632 1.00 0.00 N ATOM 35 CA ILE A 3 -7.595 -8.618 5.672 1.00 0.00 C ATOM 36 C ILE A 3 -8.667 -7.631 6.137 1.00 0.00 C ATOM 37 O ILE A 3 -8.558 -6.428 5.906 1.00 0.00 O ATOM 38 CB ILE A 3 -7.920 -9.149 4.255 1.00 0.00 C ATOM 39 CG1 ILE A 3 -6.805 -10.088 3.777 1.00 0.00 C ATOM 40 CG2 ILE A 3 -8.113 -8.000 3.272 1.00 0.00 C ATOM 41 CD1 ILE A 3 -5.428 -9.457 3.782 1.00 0.00 C ATOM 0 H ILE A 3 -7.715 -10.625 6.271 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.637 -8.100 5.616 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.854 -9.708 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.791 -10.973 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.036 -10.426 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.340 -8.401 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.937 -7.370 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.200 -7.407 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.694 -10.183 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.423 -8.589 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.175 -9.145 4.795 1.00 0.00 H new ATOM 53 N SER A 4 -9.678 -8.145 6.831 1.00 0.00 N ATOM 54 CA SER A 4 -10.738 -7.311 7.384 1.00 0.00 C ATOM 55 C SER A 4 -10.164 -6.307 8.386 1.00 0.00 C ATOM 56 O SER A 4 -10.523 -5.130 8.378 1.00 0.00 O ATOM 57 CB SER A 4 -11.780 -8.191 8.073 1.00 0.00 C ATOM 58 OG SER A 4 -12.126 -9.305 7.264 1.00 0.00 O ATOM 0 H SER A 4 -9.785 -9.141 7.024 1.00 0.00 H new ATOM 0 HA SER A 4 -11.209 -6.760 6.570 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.390 -8.540 9.029 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.672 -7.603 8.288 1.00 0.00 H new ATOM 0 HG SER A 4 -12.793 -9.852 7.729 1.00 0.00 H new ATOM 64 N GLU A 5 -9.260 -6.785 9.239 1.00 0.00 N ATOM 65 CA GLU A 5 -8.610 -5.936 10.231 1.00 0.00 C ATOM 66 C GLU A 5 -7.764 -4.861 9.554 1.00 0.00 C ATOM 67 O GLU A 5 -7.715 -3.717 10.007 1.00 0.00 O ATOM 68 CB GLU A 5 -7.739 -6.782 11.162 1.00 0.00 C ATOM 69 CG GLU A 5 -8.526 -7.774 12.003 1.00 0.00 C ATOM 70 CD GLU A 5 -7.632 -8.699 12.805 1.00 0.00 C ATOM 71 OE1 GLU A 5 -7.051 -8.252 13.812 1.00 0.00 O ATOM 72 OE2 GLU A 5 -7.510 -9.885 12.429 1.00 0.00 O ATOM 0 H GLU A 5 -8.961 -7.760 9.262 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.384 -5.444 10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.007 -7.326 10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.181 -6.120 11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.181 -7.229 12.683 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.166 -8.369 11.352 1.00 0.00 H new ATOM 79 N LEU A 6 -7.107 -5.241 8.465 1.00 0.00 N ATOM 80 CA LEU A 6 -6.290 -4.313 7.696 1.00 0.00 C ATOM 81 C LEU A 6 -7.175 -3.233 7.071 1.00 0.00 C ATOM 82 O LEU A 6 -6.865 -2.042 7.142 1.00 0.00 O ATOM 83 CB LEU A 6 -5.509 -5.082 6.619 1.00 0.00 C ATOM 84 CG LEU A 6 -4.372 -4.316 5.920 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.907 -3.397 4.826 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.560 -3.516 6.933 1.00 0.00 C ATOM 0 H LEU A 6 -7.125 -6.191 8.094 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.574 -3.823 8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.087 -5.977 7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.215 -5.415 5.858 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.720 -5.052 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.077 -2.872 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.434 -3.990 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.593 -2.672 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.761 -2.982 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.210 -2.800 7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.128 -4.194 7.669 1.00 0.00 H new ATOM 98 N LEU A 7 -8.280 -3.660 6.472 1.00 0.00 N ATOM 99 CA LEU A 7 -9.231 -2.735 5.863 1.00 0.00 C ATOM 100 C LEU A 7 -9.779 -1.759 6.900 1.00 0.00 C ATOM 101 O LEU A 7 -9.859 -0.555 6.654 1.00 0.00 O ATOM 102 CB LEU A 7 -10.385 -3.500 5.211 1.00 0.00 C ATOM 103 CG LEU A 7 -9.984 -4.446 4.077 1.00 0.00 C ATOM 104 CD1 LEU A 7 -11.207 -5.154 3.514 1.00 0.00 C ATOM 105 CD2 LEU A 7 -9.257 -3.689 2.978 1.00 0.00 C ATOM 0 H LEU A 7 -8.541 -4.643 6.394 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.703 -2.170 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.897 -4.078 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.104 -2.779 4.823 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.306 -5.197 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.902 -5.822 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.688 -5.732 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.909 -4.415 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.981 -4.380 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.910 -2.915 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.358 -3.229 3.387 1.00 0.00 H new ATOM 117 N GLN A 8 -10.135 -2.282 8.069 1.00 0.00 N ATOM 118 CA GLN A 8 -10.665 -1.458 9.149 1.00 0.00 C ATOM 119 C GLN A 8 -9.622 -0.446 9.621 1.00 0.00 C ATOM 120 O GLN A 8 -9.953 0.693 9.953 1.00 0.00 O ATOM 121 CB GLN A 8 -11.128 -2.335 10.314 1.00 0.00 C ATOM 122 CG GLN A 8 -11.626 -1.543 11.513 1.00 0.00 C ATOM 123 CD GLN A 8 -12.254 -2.423 12.572 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.570 -2.935 13.462 1.00 0.00 O ATOM 125 NE2 GLN A 8 -13.561 -2.591 12.490 1.00 0.00 N ATOM 0 H GLN A 8 -10.066 -3.275 8.293 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.525 -0.907 8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.925 -2.993 9.968 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.302 -2.973 10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.794 -0.992 11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.356 -0.806 11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.086 -2.148 11.736 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.046 -3.164 13.181 1.00 0.00 H new ATOM 134 N TYR A 9 -8.359 -0.858 9.635 1.00 0.00 N ATOM 135 CA TYR A 9 -7.277 0.033 10.031 1.00 0.00 C ATOM 136 C TYR A 9 -7.143 1.184 9.033 1.00 0.00 C ATOM 137 O TYR A 9 -6.819 2.311 9.407 1.00 0.00 O ATOM 138 CB TYR A 9 -5.953 -0.733 10.136 1.00 0.00 C ATOM 139 CG TYR A 9 -4.817 0.102 10.682 1.00 0.00 C ATOM 140 CD1 TYR A 9 -4.782 0.457 12.023 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.787 0.542 9.859 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.757 1.230 12.530 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.756 1.312 10.360 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.747 1.653 11.696 1.00 0.00 C ATOM 145 OH TYR A 9 -1.729 2.428 12.197 1.00 0.00 O ATOM 0 H TYR A 9 -8.061 -1.799 9.378 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.516 0.444 11.012 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.095 -1.603 10.777 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.678 -1.106 9.149 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.570 0.123 12.681 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.793 0.278 8.812 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.748 1.501 13.575 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.961 1.645 9.709 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.096 2.641 11.479 1.00 0.00 H new ATOM 155 N CYS A 10 -7.414 0.893 7.768 1.00 0.00 N ATOM 156 CA CYS A 10 -7.357 1.906 6.721 1.00 0.00 C ATOM 157 C CYS A 10 -8.515 2.892 6.857 1.00 0.00 C ATOM 158 O CYS A 10 -8.412 4.044 6.436 1.00 0.00 O ATOM 159 CB CYS A 10 -7.383 1.243 5.344 1.00 0.00 C ATOM 160 SG CYS A 10 -6.055 0.048 5.089 1.00 0.00 S ATOM 0 H CYS A 10 -7.676 -0.037 7.441 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.424 2.459 6.828 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.342 0.742 5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.317 2.015 4.577 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.103 -0.859 6.019 1.00 0.00 H new ATOM 166 N MET A 11 -9.606 2.439 7.467 1.00 0.00 N ATOM 167 CA MET A 11 -10.769 3.291 7.696 1.00 0.00 C ATOM 168 C MET A 11 -10.488 4.296 8.808 1.00 0.00 C ATOM 169 O MET A 11 -11.148 5.331 8.906 1.00 0.00 O ATOM 170 CB MET A 11 -12.000 2.450 8.053 1.00 0.00 C ATOM 171 CG MET A 11 -12.513 1.560 6.926 1.00 0.00 C ATOM 172 SD MET A 11 -13.411 2.462 5.638 1.00 0.00 S ATOM 173 CE MET A 11 -12.080 3.097 4.618 1.00 0.00 C ATOM 0 H MET A 11 -9.709 1.485 7.812 1.00 0.00 H new ATOM 0 HA MET A 11 -10.973 3.834 6.773 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.758 1.823 8.911 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.803 3.119 8.363 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.669 1.041 6.472 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.168 0.797 7.347 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.365 3.035 3.568 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.885 4.137 4.880 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.180 2.506 4.785 1.00 0.00 H new ATOM 183 N ALA A 12 -9.506 3.987 9.644 1.00 0.00 N ATOM 184 CA ALA A 12 -9.101 4.893 10.709 1.00 0.00 C ATOM 185 C ALA A 12 -8.254 6.031 10.149 1.00 0.00 C ATOM 186 O ALA A 12 -8.159 7.107 10.743 1.00 0.00 O ATOM 187 CB ALA A 12 -8.338 4.137 11.783 1.00 0.00 C ATOM 0 H ALA A 12 -8.976 3.117 9.605 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.996 5.322 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.042 4.827 12.573 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.975 3.358 12.202 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.449 3.682 11.346 1.00 0.00 H new ATOM 193 N LYS A 13 -7.643 5.780 8.999 1.00 0.00 N ATOM 194 CA LYS A 13 -6.835 6.782 8.323 1.00 0.00 C ATOM 195 C LYS A 13 -7.729 7.663 7.455 1.00 0.00 C ATOM 196 O LYS A 13 -8.374 7.177 6.522 1.00 0.00 O ATOM 197 CB LYS A 13 -5.758 6.113 7.460 1.00 0.00 C ATOM 198 CG LYS A 13 -4.758 5.274 8.246 1.00 0.00 C ATOM 199 CD LYS A 13 -3.905 6.133 9.171 1.00 0.00 C ATOM 200 CE LYS A 13 -2.828 5.309 9.865 1.00 0.00 C ATOM 201 NZ LYS A 13 -1.933 6.150 10.704 1.00 0.00 N ATOM 0 H LYS A 13 -7.693 4.884 8.513 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.340 7.399 9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.245 5.478 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.217 6.884 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.292 4.527 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.113 4.734 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.438 6.934 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.541 6.606 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.299 4.549 10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.235 4.785 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.946 6.010 10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.190 7.151 10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.036 5.878 11.702 1.00 0.00 H new ATOM 215 N PRO A 14 -7.792 8.967 7.759 1.00 0.00 N ATOM 216 CA PRO A 14 -8.637 9.913 7.024 1.00 0.00 C ATOM 217 C PRO A 14 -8.167 10.109 5.586 1.00 0.00 C ATOM 218 O PRO A 14 -6.968 10.196 5.321 1.00 0.00 O ATOM 219 CB PRO A 14 -8.490 11.215 7.816 1.00 0.00 C ATOM 220 CG PRO A 14 -7.183 11.086 8.517 1.00 0.00 C ATOM 221 CD PRO A 14 -7.032 9.627 8.835 1.00 0.00 C ATOM 0 HA PRO A 14 -9.666 9.563 6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.502 12.083 7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.308 11.342 8.525 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.365 11.436 7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.165 11.688 9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.986 9.321 8.835 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.435 9.386 9.819 1.00 0.00 H new ATOM 229 N GLY A 15 -9.111 10.149 4.660 1.00 0.00 N ATOM 230 CA GLY A 15 -8.779 10.397 3.271 1.00 0.00 C ATOM 231 C GLY A 15 -8.504 9.117 2.506 1.00 0.00 C ATOM 232 O GLY A 15 -8.580 9.090 1.278 1.00 0.00 O ATOM 0 H GLY A 15 -10.105 10.014 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.599 10.933 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.903 11.044 3.219 1.00 0.00 H new ATOM 236 N ALA A 16 -8.181 8.059 3.235 1.00 0.00 N ATOM 237 CA ALA A 16 -7.922 6.767 2.625 1.00 0.00 C ATOM 238 C ALA A 16 -9.233 6.055 2.337 1.00 0.00 C ATOM 239 O ALA A 16 -9.990 5.727 3.254 1.00 0.00 O ATOM 240 CB ALA A 16 -7.037 5.919 3.529 1.00 0.00 C ATOM 0 H ALA A 16 -8.092 8.072 4.251 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.396 6.922 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.853 4.954 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.088 6.430 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.536 5.765 4.486 1.00 0.00 H new ATOM 246 N GLU A 17 -9.515 5.844 1.065 1.00 0.00 N ATOM 247 CA GLU A 17 -10.747 5.189 0.665 1.00 0.00 C ATOM 248 C GLU A 17 -10.439 3.890 -0.070 1.00 0.00 C ATOM 249 O GLU A 17 -9.414 3.778 -0.746 1.00 0.00 O ATOM 250 CB GLU A 17 -11.579 6.120 -0.217 1.00 0.00 C ATOM 251 CG GLU A 17 -12.985 5.612 -0.490 1.00 0.00 C ATOM 252 CD GLU A 17 -13.768 6.535 -1.392 1.00 0.00 C ATOM 253 OE1 GLU A 17 -13.703 6.354 -2.626 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.457 7.438 -0.876 1.00 0.00 O ATOM 0 H GLU A 17 -8.909 6.116 0.291 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.325 4.952 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.642 7.098 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.063 6.262 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.929 4.624 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.516 5.496 0.455 1.00 0.00 H new ATOM 261 N GLN A 18 -11.326 2.915 0.071 1.00 0.00 N ATOM 262 CA GLN A 18 -11.133 1.609 -0.539 1.00 0.00 C ATOM 263 C GLN A 18 -11.759 1.563 -1.928 1.00 0.00 C ATOM 264 O GLN A 18 -12.925 1.924 -2.107 1.00 0.00 O ATOM 265 CB GLN A 18 -11.749 0.516 0.336 1.00 0.00 C ATOM 266 CG GLN A 18 -11.170 0.444 1.742 1.00 0.00 C ATOM 267 CD GLN A 18 -11.797 -0.663 2.576 1.00 0.00 C ATOM 268 OE1 GLN A 18 -12.211 -1.739 1.924 1.00 0.00 O flip ATOM 269 NE2 GLN A 18 -11.909 -0.553 3.795 1.00 0.00 N flip ATOM 0 H GLN A 18 -12.190 3.006 0.605 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.061 1.435 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.824 0.684 0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.608 -0.448 -0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.094 0.282 1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.320 1.401 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.579 0.291 4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.332 -1.305 4.338 1.00 0.00 H new ATOM 278 N SER A 19 -10.975 1.142 -2.906 1.00 0.00 N ATOM 279 CA SER A 19 -11.466 0.926 -4.261 1.00 0.00 C ATOM 280 C SER A 19 -11.413 -0.563 -4.590 1.00 0.00 C ATOM 281 O SER A 19 -10.488 -1.256 -4.165 1.00 0.00 O ATOM 282 CB SER A 19 -10.610 1.705 -5.267 1.00 0.00 C ATOM 283 OG SER A 19 -10.484 3.070 -4.898 1.00 0.00 O ATOM 0 H SER A 19 -9.982 0.940 -2.786 1.00 0.00 H new ATOM 0 HA SER A 19 -12.495 1.280 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.621 1.252 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.058 1.635 -6.258 1.00 0.00 H new ATOM 0 HG SER A 19 -9.538 3.286 -4.762 1.00 0.00 H new ATOM 289 N VAL A 20 -12.404 -1.065 -5.313 1.00 0.00 N ATOM 290 CA VAL A 20 -12.371 -2.447 -5.771 1.00 0.00 C ATOM 291 C VAL A 20 -12.300 -2.509 -7.298 1.00 0.00 C ATOM 292 O VAL A 20 -13.229 -2.117 -8.007 1.00 0.00 O ATOM 293 CB VAL A 20 -13.570 -3.280 -5.246 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.903 -2.658 -5.628 1.00 0.00 C ATOM 295 CG2 VAL A 20 -13.485 -4.714 -5.748 1.00 0.00 C ATOM 0 H VAL A 20 -13.234 -0.542 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.468 -2.895 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.513 -3.285 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.716 -3.273 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.972 -1.656 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.979 -2.598 -6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.334 -5.283 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.501 -4.720 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.559 -5.168 -5.397 1.00 0.00 H new ATOM 305 N HIS A 21 -11.169 -2.973 -7.798 1.00 0.00 N ATOM 306 CA HIS A 21 -10.952 -3.090 -9.230 1.00 0.00 C ATOM 307 C HIS A 21 -11.064 -4.545 -9.659 1.00 0.00 C ATOM 308 O HIS A 21 -10.239 -5.381 -9.279 1.00 0.00 O ATOM 309 CB HIS A 21 -9.580 -2.517 -9.593 1.00 0.00 C ATOM 310 CG HIS A 21 -9.276 -2.510 -11.058 1.00 0.00 C ATOM 311 ND1 HIS A 21 -9.861 -1.637 -11.947 1.00 0.00 N ATOM 312 CD2 HIS A 21 -8.422 -3.264 -11.782 1.00 0.00 C ATOM 313 CE1 HIS A 21 -9.377 -1.852 -13.155 1.00 0.00 C ATOM 314 NE2 HIS A 21 -8.500 -2.835 -13.083 1.00 0.00 N ATOM 0 H HIS A 21 -10.380 -3.278 -7.228 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.716 -2.521 -9.759 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.516 -1.496 -9.217 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -8.812 -3.095 -9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.794 -4.058 -11.407 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -9.652 -1.315 -14.051 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -7.967 -3.214 -13.866 1.00 0.00 H new ATOM 323 N ASN A 22 -12.101 -4.850 -10.432 1.00 0.00 N ATOM 324 CA ASN A 22 -12.288 -6.196 -10.970 1.00 0.00 C ATOM 325 C ASN A 22 -11.095 -6.551 -11.857 1.00 0.00 C ATOM 326 O ASN A 22 -10.345 -5.653 -12.241 1.00 0.00 O ATOM 327 CB ASN A 22 -13.606 -6.285 -11.753 1.00 0.00 C ATOM 328 CG ASN A 22 -13.968 -7.710 -12.137 1.00 0.00 C ATOM 329 OD1 ASN A 22 -13.564 -8.667 -11.474 1.00 0.00 O ATOM 330 ND2 ASN A 22 -14.755 -7.861 -13.191 1.00 0.00 N ATOM 0 H ASN A 22 -12.826 -4.185 -10.701 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.345 -6.912 -10.150 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.410 -5.860 -11.152 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.529 -5.679 -12.656 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.048 -8.795 -13.479 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.069 -7.044 -13.715 1.00 0.00 H new ATOM 337 N ASP A 23 -10.939 -7.846 -12.176 1.00 0.00 N ATOM 338 CA ASP A 23 -9.736 -8.405 -12.836 1.00 0.00 C ATOM 339 C ASP A 23 -8.736 -8.833 -11.769 1.00 0.00 C ATOM 340 O ASP A 23 -8.009 -9.814 -11.929 1.00 0.00 O ATOM 341 CB ASP A 23 -9.092 -7.425 -13.836 1.00 0.00 C ATOM 342 CG ASP A 23 -7.899 -8.007 -14.575 1.00 0.00 C ATOM 343 OD1 ASP A 23 -8.076 -8.999 -15.312 1.00 0.00 O ATOM 344 OD2 ASP A 23 -6.784 -7.455 -14.448 1.00 0.00 O ATOM 0 H ASP A 23 -11.652 -8.549 -11.982 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.046 -9.270 -13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.843 -7.115 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.776 -6.529 -13.302 1.00 0.00 H new ATOM 349 N TRP A 24 -8.730 -8.099 -10.665 1.00 0.00 N ATOM 350 CA TRP A 24 -7.977 -8.495 -9.484 1.00 0.00 C ATOM 351 C TRP A 24 -8.938 -8.763 -8.329 1.00 0.00 C ATOM 352 O TRP A 24 -8.718 -9.668 -7.523 1.00 0.00 O ATOM 353 CB TRP A 24 -6.958 -7.421 -9.089 1.00 0.00 C ATOM 354 CG TRP A 24 -5.905 -7.193 -10.131 1.00 0.00 C ATOM 355 CD1 TRP A 24 -5.936 -6.260 -11.126 1.00 0.00 C ATOM 356 CD2 TRP A 24 -4.668 -7.908 -10.285 1.00 0.00 C ATOM 357 NE1 TRP A 24 -4.800 -6.346 -11.888 1.00 0.00 N ATOM 358 CE2 TRP A 24 -4.005 -7.350 -11.394 1.00 0.00 C ATOM 359 CE3 TRP A 24 -4.053 -8.964 -9.596 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -2.765 -7.808 -11.828 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -2.821 -9.416 -10.030 1.00 0.00 C ATOM 362 CH2 TRP A 24 -2.189 -8.839 -11.137 1.00 0.00 C ATOM 0 H TRP A 24 -9.241 -7.222 -10.563 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.426 -9.406 -9.716 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.482 -6.484 -8.901 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -6.478 -7.711 -8.154 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -6.739 -5.556 -11.289 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.581 -5.759 -12.693 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.534 -9.416 -8.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.274 -7.365 -12.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.338 -10.228 -9.506 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.227 -9.215 -11.452 1.00 0.00 H new ATOM 373 N LYS A 25 -10.002 -7.951 -8.257 1.00 0.00 N ATOM 374 CA LYS A 25 -11.077 -8.120 -7.268 1.00 0.00 C ATOM 375 C LYS A 25 -10.573 -7.817 -5.855 1.00 0.00 C ATOM 376 O LYS A 25 -11.240 -8.098 -4.857 1.00 0.00 O ATOM 377 CB LYS A 25 -11.666 -9.540 -7.360 1.00 0.00 C ATOM 378 CG LYS A 25 -12.950 -9.740 -6.567 1.00 0.00 C ATOM 379 CD LYS A 25 -13.438 -11.178 -6.648 1.00 0.00 C ATOM 380 CE LYS A 25 -14.667 -11.398 -5.781 1.00 0.00 C ATOM 381 NZ LYS A 25 -14.397 -11.123 -4.343 1.00 0.00 N ATOM 0 H LYS A 25 -10.142 -7.158 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.871 -7.407 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.860 -9.773 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.921 -10.253 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.780 -9.471 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.722 -9.071 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.672 -11.426 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.642 -11.852 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.474 -10.753 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.010 -12.426 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.155 -11.535 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.486 -11.546 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.361 -10.095 -4.187 1.00 0.00 H new ATOM 395 N ALA A 26 -9.409 -7.201 -5.779 1.00 0.00 N ATOM 396 CA ALA A 26 -8.814 -6.859 -4.502 1.00 0.00 C ATOM 397 C ALA A 26 -9.074 -5.396 -4.164 1.00 0.00 C ATOM 398 O ALA A 26 -9.680 -4.667 -4.952 1.00 0.00 O ATOM 399 CB ALA A 26 -7.327 -7.154 -4.526 1.00 0.00 C ATOM 0 H ALA A 26 -8.855 -6.926 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.274 -7.469 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.889 -6.894 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.170 -8.215 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.852 -6.566 -5.311 1.00 0.00 H new ATOM 405 N THR A 27 -8.599 -4.966 -3.002 1.00 0.00 N ATOM 406 CA THR A 27 -8.874 -3.626 -2.507 1.00 0.00 C ATOM 407 C THR A 27 -7.679 -2.690 -2.697 1.00 0.00 C ATOM 408 O THR A 27 -6.535 -3.047 -2.402 1.00 0.00 O ATOM 409 CB THR A 27 -9.253 -3.672 -1.017 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.317 -4.611 -0.825 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.683 -2.300 -0.522 1.00 0.00 C ATOM 0 H THR A 27 -8.018 -5.531 -2.382 1.00 0.00 H new ATOM 0 HA THR A 27 -9.709 -3.235 -3.089 1.00 0.00 H new ATOM 0 HB THR A 27 -8.378 -3.982 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.558 -4.642 0.124 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.946 -2.360 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.864 -1.593 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.548 -1.962 -1.092 1.00 0.00 H new ATOM 419 N GLN A 28 -7.958 -1.503 -3.218 1.00 0.00 N ATOM 420 CA GLN A 28 -6.961 -0.452 -3.348 1.00 0.00 C ATOM 421 C GLN A 28 -7.213 0.618 -2.298 1.00 0.00 C ATOM 422 O GLN A 28 -8.365 0.932 -1.997 1.00 0.00 O ATOM 423 CB GLN A 28 -7.008 0.208 -4.734 1.00 0.00 C ATOM 424 CG GLN A 28 -6.645 -0.701 -5.899 1.00 0.00 C ATOM 425 CD GLN A 28 -7.744 -1.680 -6.260 1.00 0.00 C ATOM 426 OE1 GLN A 28 -8.665 -1.348 -6.998 1.00 0.00 O ATOM 427 NE2 GLN A 28 -7.627 -2.905 -5.779 1.00 0.00 N ATOM 0 H GLN A 28 -8.882 -1.243 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.981 -0.909 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.012 0.599 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.330 1.061 -4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.413 -0.088 -6.770 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.741 -1.256 -5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.845 -3.140 -5.168 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.319 -3.615 -6.019 1.00 0.00 H new ATOM 436 N ILE A 29 -6.147 1.168 -1.744 1.00 0.00 N ATOM 437 CA ILE A 29 -6.263 2.256 -0.787 1.00 0.00 C ATOM 438 C ILE A 29 -5.639 3.515 -1.376 1.00 0.00 C ATOM 439 O ILE A 29 -4.419 3.583 -1.563 1.00 0.00 O ATOM 440 CB ILE A 29 -5.578 1.928 0.569 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.158 0.652 1.195 1.00 0.00 C ATOM 442 CG2 ILE A 29 -5.724 3.098 1.534 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.585 -0.639 0.643 1.00 0.00 C ATOM 0 H ILE A 29 -5.189 0.879 -1.940 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.324 2.408 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.519 1.757 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.985 0.680 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.238 0.648 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.239 2.853 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.256 3.984 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.782 3.295 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.052 -1.487 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.781 -0.696 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.509 -0.663 0.817 1.00 0.00 H new ATOM 455 N LYS A 30 -6.469 4.501 -1.695 1.00 0.00 N ATOM 456 CA LYS A 30 -5.978 5.719 -2.325 1.00 0.00 C ATOM 457 C LYS A 30 -6.646 6.957 -1.740 1.00 0.00 C ATOM 458 O LYS A 30 -7.684 6.868 -1.081 1.00 0.00 O ATOM 459 CB LYS A 30 -6.204 5.677 -3.843 1.00 0.00 C ATOM 460 CG LYS A 30 -7.645 5.907 -4.272 1.00 0.00 C ATOM 461 CD LYS A 30 -7.796 5.761 -5.777 1.00 0.00 C ATOM 462 CE LYS A 30 -9.113 6.335 -6.284 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.300 5.706 -5.645 1.00 0.00 N ATOM 0 H LYS A 30 -7.475 4.482 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.908 5.778 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.573 6.432 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.876 4.708 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.297 5.194 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.965 6.903 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.967 6.265 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.734 4.706 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.132 7.409 -6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.172 6.198 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.159 5.981 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.199 4.671 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.373 6.026 -4.658 1.00 0.00 H new ATOM 477 N VAL A 31 -6.021 8.105 -1.974 1.00 0.00 N ATOM 478 CA VAL A 31 -6.582 9.391 -1.588 1.00 0.00 C ATOM 479 C VAL A 31 -7.133 10.080 -2.837 1.00 0.00 C ATOM 480 O VAL A 31 -7.843 9.450 -3.619 1.00 0.00 O ATOM 481 CB VAL A 31 -5.528 10.294 -0.899 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.207 11.332 -0.015 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.545 9.467 -0.084 1.00 0.00 C ATOM 0 H VAL A 31 -5.114 8.169 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.381 9.222 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.970 10.811 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.450 11.956 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.862 11.955 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.795 10.828 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.817 10.127 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.085 8.914 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.028 8.767 -0.740 1.00 0.00 H new ATOM 493 N GLU A 32 -6.810 11.361 -3.009 1.00 0.00 N ATOM 494 CA GLU A 32 -7.213 12.129 -4.191 1.00 0.00 C ATOM 495 C GLU A 32 -6.994 11.318 -5.467 1.00 0.00 C ATOM 496 O GLU A 32 -7.947 10.895 -6.116 1.00 0.00 O ATOM 497 CB GLU A 32 -6.416 13.438 -4.267 1.00 0.00 C ATOM 498 CG GLU A 32 -6.578 14.336 -3.048 1.00 0.00 C ATOM 499 CD GLU A 32 -7.998 14.831 -2.869 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.840 14.063 -2.367 1.00 0.00 O ATOM 501 OE2 GLU A 32 -8.281 15.991 -3.236 1.00 0.00 O ATOM 0 H GLU A 32 -6.263 11.897 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.275 12.357 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.360 13.201 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.727 13.989 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.274 13.789 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.909 15.191 -3.141 1.00 0.00 H new ATOM 508 N ASP A 33 -5.735 11.109 -5.818 1.00 0.00 N ATOM 509 CA ASP A 33 -5.377 10.234 -6.932 1.00 0.00 C ATOM 510 C ASP A 33 -4.165 9.395 -6.545 1.00 0.00 C ATOM 511 O ASP A 33 -3.656 8.591 -7.321 1.00 0.00 O ATOM 512 CB ASP A 33 -5.083 11.058 -8.191 1.00 0.00 C ATOM 513 CG ASP A 33 -4.713 10.202 -9.392 1.00 0.00 C ATOM 514 OD1 ASP A 33 -5.601 9.509 -9.931 1.00 0.00 O ATOM 515 OD2 ASP A 33 -3.532 10.232 -9.808 1.00 0.00 O ATOM 0 H ASP A 33 -4.937 11.535 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.215 9.573 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.958 11.659 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.268 11.751 -7.982 1.00 0.00 H new ATOM 520 N VAL A 34 -3.729 9.563 -5.308 1.00 0.00 N ATOM 521 CA VAL A 34 -2.521 8.911 -4.836 1.00 0.00 C ATOM 522 C VAL A 34 -2.818 7.484 -4.400 1.00 0.00 C ATOM 523 O VAL A 34 -3.304 7.254 -3.291 1.00 0.00 O ATOM 524 CB VAL A 34 -1.878 9.680 -3.661 1.00 0.00 C ATOM 525 CG1 VAL A 34 -0.555 9.046 -3.258 1.00 0.00 C ATOM 526 CG2 VAL A 34 -1.685 11.144 -4.019 1.00 0.00 C ATOM 0 H VAL A 34 -4.195 10.146 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.817 8.901 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.554 9.623 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.121 9.605 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.725 8.014 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.130 9.064 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.231 11.667 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.034 11.223 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.652 11.593 -4.247 1.00 0.00 H new ATOM 536 N LEU A 35 -2.574 6.539 -5.299 1.00 0.00 N ATOM 537 CA LEU A 35 -2.690 5.127 -4.975 1.00 0.00 C ATOM 538 C LEU A 35 -1.363 4.636 -4.413 1.00 0.00 C ATOM 539 O LEU A 35 -0.446 4.301 -5.161 1.00 0.00 O ATOM 540 CB LEU A 35 -3.084 4.313 -6.216 1.00 0.00 C ATOM 541 CG LEU A 35 -3.239 2.807 -5.989 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.309 2.533 -4.945 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.572 2.102 -7.295 1.00 0.00 C ATOM 0 H LEU A 35 -2.294 6.728 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.473 4.993 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.025 4.704 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.331 4.472 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.291 2.415 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.406 1.457 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.028 3.006 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.262 2.939 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.678 1.032 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.506 2.497 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.770 2.270 -8.014 1.00 0.00 H new ATOM 555 N PHE A 36 -1.255 4.626 -3.096 1.00 0.00 N ATOM 556 CA PHE A 36 0.004 4.306 -2.443 1.00 0.00 C ATOM 557 C PHE A 36 0.061 2.847 -2.003 1.00 0.00 C ATOM 558 O PHE A 36 1.146 2.293 -1.812 1.00 0.00 O ATOM 559 CB PHE A 36 0.229 5.240 -1.247 1.00 0.00 C ATOM 560 CG PHE A 36 -0.904 5.266 -0.253 1.00 0.00 C ATOM 561 CD1 PHE A 36 -1.960 6.152 -0.406 1.00 0.00 C ATOM 562 CD2 PHE A 36 -0.906 4.416 0.842 1.00 0.00 C ATOM 563 CE1 PHE A 36 -2.994 6.186 0.509 1.00 0.00 C ATOM 564 CE2 PHE A 36 -1.937 4.449 1.760 1.00 0.00 C ATOM 565 CZ PHE A 36 -2.982 5.335 1.594 1.00 0.00 C ATOM 0 H PHE A 36 -2.022 4.835 -2.458 1.00 0.00 H new ATOM 0 HA PHE A 36 0.803 4.456 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.141 4.937 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.394 6.252 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.974 6.824 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.092 3.720 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.812 6.879 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.926 3.781 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.788 5.362 2.312 1.00 0.00 H new ATOM 575 N ALA A 37 -1.099 2.223 -1.856 1.00 0.00 N ATOM 576 CA ALA A 37 -1.160 0.840 -1.402 1.00 0.00 C ATOM 577 C ALA A 37 -2.269 0.074 -2.109 1.00 0.00 C ATOM 578 O ALA A 37 -3.427 0.497 -2.117 1.00 0.00 O ATOM 579 CB ALA A 37 -1.358 0.782 0.107 1.00 0.00 C ATOM 0 H ALA A 37 -2.007 2.649 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.211 0.366 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.401 -0.259 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.525 1.281 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.290 1.282 0.371 1.00 0.00 H new ATOM 585 N MET A 38 -1.908 -1.051 -2.710 1.00 0.00 N ATOM 586 CA MET A 38 -2.879 -1.916 -3.363 1.00 0.00 C ATOM 587 C MET A 38 -2.485 -3.380 -3.194 1.00 0.00 C ATOM 588 O MET A 38 -1.398 -3.799 -3.609 1.00 0.00 O ATOM 589 CB MET A 38 -3.007 -1.556 -4.848 1.00 0.00 C ATOM 590 CG MET A 38 -3.854 -2.535 -5.643 1.00 0.00 C ATOM 591 SD MET A 38 -3.961 -2.103 -7.395 1.00 0.00 S ATOM 592 CE MET A 38 -2.228 -2.023 -7.843 1.00 0.00 C ATOM 0 H MET A 38 -0.946 -1.387 -2.759 1.00 0.00 H new ATOM 0 HA MET A 38 -3.850 -1.766 -2.891 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.441 -0.560 -4.935 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.011 -1.510 -5.289 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.433 -3.536 -5.545 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.858 -2.568 -5.219 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.094 -2.415 -8.851 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.891 -0.987 -7.808 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.643 -2.619 -7.142 1.00 0.00 H new ATOM 602 N VAL A 39 -3.365 -4.150 -2.567 1.00 0.00 N ATOM 603 CA VAL A 39 -3.126 -5.569 -2.345 1.00 0.00 C ATOM 604 C VAL A 39 -3.599 -6.376 -3.553 1.00 0.00 C ATOM 605 O VAL A 39 -4.573 -6.008 -4.203 1.00 0.00 O ATOM 606 CB VAL A 39 -3.833 -6.066 -1.055 1.00 0.00 C ATOM 607 CG1 VAL A 39 -5.341 -5.881 -1.141 1.00 0.00 C ATOM 608 CG2 VAL A 39 -3.485 -7.519 -0.764 1.00 0.00 C ATOM 0 H VAL A 39 -4.255 -3.813 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.054 -5.715 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.468 -5.457 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.805 -6.239 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.571 -4.824 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.729 -6.447 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.994 -7.840 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.804 -8.144 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.408 -7.615 -0.630 1.00 0.00 H new ATOM 618 N LYS A 40 -2.879 -7.442 -3.876 1.00 0.00 N ATOM 619 CA LYS A 40 -3.250 -8.326 -4.981 1.00 0.00 C ATOM 620 C LYS A 40 -2.972 -9.770 -4.606 1.00 0.00 C ATOM 621 O LYS A 40 -1.898 -10.086 -4.094 1.00 0.00 O ATOM 622 CB LYS A 40 -2.472 -8.011 -6.271 1.00 0.00 C ATOM 623 CG LYS A 40 -2.873 -6.725 -6.986 1.00 0.00 C ATOM 624 CD LYS A 40 -2.226 -5.488 -6.381 1.00 0.00 C ATOM 625 CE LYS A 40 -0.716 -5.450 -6.587 1.00 0.00 C ATOM 626 NZ LYS A 40 0.011 -6.405 -5.704 1.00 0.00 N ATOM 0 H LYS A 40 -2.028 -7.720 -3.387 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.312 -8.165 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.411 -7.955 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.598 -8.844 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.595 -6.797 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.957 -6.617 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.671 -4.597 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.443 -5.455 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.490 -5.681 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.353 -4.440 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.865 -5.947 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.607 -6.689 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.283 -7.246 -6.252 1.00 0.00 H new ATOM 640 N GLU A 41 -3.927 -10.645 -4.854 1.00 0.00 N ATOM 641 CA GLU A 41 -3.680 -12.062 -4.692 1.00 0.00 C ATOM 642 C GLU A 41 -3.096 -12.611 -5.983 1.00 0.00 C ATOM 643 O GLU A 41 -3.774 -12.664 -7.010 1.00 0.00 O ATOM 644 CB GLU A 41 -4.958 -12.816 -4.337 1.00 0.00 C ATOM 645 CG GLU A 41 -4.703 -14.267 -3.966 1.00 0.00 C ATOM 646 CD GLU A 41 -5.969 -15.082 -3.839 1.00 0.00 C ATOM 647 OE1 GLU A 41 -6.656 -14.965 -2.802 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.270 -15.865 -4.763 1.00 0.00 O ATOM 0 H GLU A 41 -4.868 -10.403 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.977 -12.201 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.451 -12.314 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.644 -12.777 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.061 -14.721 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.159 -14.303 -3.022 1.00 0.00 H new ATOM 655 N VAL A 42 -1.840 -13.006 -5.930 1.00 0.00 N ATOM 656 CA VAL A 42 -1.142 -13.482 -7.105 1.00 0.00 C ATOM 657 C VAL A 42 -0.289 -14.688 -6.737 1.00 0.00 C ATOM 658 O VAL A 42 0.331 -14.714 -5.671 1.00 0.00 O ATOM 659 CB VAL A 42 -0.282 -12.360 -7.739 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.740 -11.820 -6.749 1.00 0.00 C ATOM 661 CG2 VAL A 42 0.403 -12.849 -9.005 1.00 0.00 C ATOM 0 H VAL A 42 -1.279 -13.006 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.876 -13.784 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.952 -11.543 -8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.327 -11.034 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.224 -11.412 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.401 -12.626 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.000 -12.042 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.050 -13.693 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.350 -13.163 -9.728 1.00 0.00 H new ATOM 671 N GLU A 43 -0.296 -15.695 -7.607 1.00 0.00 N ATOM 672 CA GLU A 43 0.376 -16.966 -7.347 1.00 0.00 C ATOM 673 C GLU A 43 -0.292 -17.658 -6.157 1.00 0.00 C ATOM 674 O GLU A 43 0.359 -18.339 -5.361 1.00 0.00 O ATOM 675 CB GLU A 43 1.878 -16.757 -7.095 1.00 0.00 C ATOM 676 CG GLU A 43 2.596 -16.028 -8.226 1.00 0.00 C ATOM 677 CD GLU A 43 2.523 -16.762 -9.552 1.00 0.00 C ATOM 678 OE1 GLU A 43 3.259 -17.754 -9.727 1.00 0.00 O ATOM 679 OE2 GLU A 43 1.740 -16.343 -10.434 1.00 0.00 O ATOM 0 H GLU A 43 -0.767 -15.653 -8.511 1.00 0.00 H new ATOM 0 HA GLU A 43 0.283 -17.603 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.007 -16.192 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.350 -17.728 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.161 -15.035 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.642 -15.888 -7.953 1.00 0.00 H new ATOM 686 N ASN A 44 -1.611 -17.447 -6.059 1.00 0.00 N ATOM 687 CA ASN A 44 -2.471 -18.065 -5.038 1.00 0.00 C ATOM 688 C ASN A 44 -2.259 -17.446 -3.652 1.00 0.00 C ATOM 689 O ASN A 44 -2.983 -17.755 -2.704 1.00 0.00 O ATOM 690 CB ASN A 44 -2.255 -19.586 -4.976 1.00 0.00 C ATOM 691 CG ASN A 44 -3.277 -20.297 -4.099 1.00 0.00 C ATOM 692 OD1 ASN A 44 -4.437 -19.889 -4.010 1.00 0.00 O ATOM 693 ND2 ASN A 44 -2.845 -21.356 -3.431 1.00 0.00 N ATOM 0 H ASN A 44 -2.119 -16.833 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.501 -17.868 -5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.303 -19.996 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.254 -19.790 -4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.480 -21.865 -2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.877 -21.662 -3.531 1.00 0.00 H new ATOM 700 N ARG A 45 -1.281 -16.564 -3.524 1.00 0.00 N ATOM 701 CA ARG A 45 -0.975 -15.966 -2.230 1.00 0.00 C ATOM 702 C ARG A 45 -1.265 -14.467 -2.229 1.00 0.00 C ATOM 703 O ARG A 45 -1.016 -13.775 -3.219 1.00 0.00 O ATOM 704 CB ARG A 45 0.488 -16.217 -1.857 1.00 0.00 C ATOM 705 CG ARG A 45 0.850 -17.685 -1.656 1.00 0.00 C ATOM 706 CD ARG A 45 0.201 -18.272 -0.410 1.00 0.00 C ATOM 707 NE ARG A 45 -1.242 -18.465 -0.565 1.00 0.00 N ATOM 708 CZ ARG A 45 -2.109 -18.493 0.446 1.00 0.00 C ATOM 709 NH1 ARG A 45 -1.697 -18.287 1.693 1.00 0.00 N ATOM 710 NH2 ARG A 45 -3.394 -18.717 0.202 1.00 0.00 N ATOM 0 H ARG A 45 -0.689 -16.247 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.618 -16.437 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.125 -15.803 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.714 -15.672 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.538 -18.257 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.933 -17.783 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.669 -19.229 -0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.387 -17.612 0.437 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.608 -18.586 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.711 -18.106 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.367 -18.310 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.713 -18.867 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.063 -18.740 0.972 1.00 0.00 H new ATOM 724 N PRO A 46 -1.821 -13.951 -1.121 1.00 0.00 N ATOM 725 CA PRO A 46 -2.082 -12.518 -0.959 1.00 0.00 C ATOM 726 C PRO A 46 -0.794 -11.718 -0.783 1.00 0.00 C ATOM 727 O PRO A 46 -0.047 -11.908 0.182 1.00 0.00 O ATOM 728 CB PRO A 46 -2.941 -12.450 0.306 1.00 0.00 C ATOM 729 CG PRO A 46 -2.596 -13.678 1.075 1.00 0.00 C ATOM 730 CD PRO A 46 -2.252 -14.730 0.055 1.00 0.00 C ATOM 0 HA PRO A 46 -2.567 -12.087 -1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.724 -11.550 0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.003 -12.424 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.755 -13.495 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.433 -13.997 1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.460 -15.389 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.111 -15.360 -0.175 1.00 0.00 H new ATOM 738 N ALA A 47 -0.536 -10.823 -1.724 1.00 0.00 N ATOM 739 CA ALA A 47 0.668 -10.014 -1.701 1.00 0.00 C ATOM 740 C ALA A 47 0.323 -8.534 -1.813 1.00 0.00 C ATOM 741 O ALA A 47 -0.712 -8.165 -2.371 1.00 0.00 O ATOM 742 CB ALA A 47 1.601 -10.440 -2.820 1.00 0.00 C ATOM 0 H ALA A 47 -1.150 -10.639 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 47 1.177 -10.167 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.502 -9.827 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.871 -11.488 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.101 -10.311 -3.780 1.00 0.00 H new ATOM 748 N VAL A 48 1.196 -7.687 -1.299 1.00 0.00 N ATOM 749 CA VAL A 48 0.943 -6.260 -1.279 1.00 0.00 C ATOM 750 C VAL A 48 1.960 -5.530 -2.150 1.00 0.00 C ATOM 751 O VAL A 48 3.080 -6.004 -2.349 1.00 0.00 O ATOM 752 CB VAL A 48 0.988 -5.705 0.167 1.00 0.00 C ATOM 753 CG1 VAL A 48 2.402 -5.762 0.736 1.00 0.00 C ATOM 754 CG2 VAL A 48 0.430 -4.289 0.228 1.00 0.00 C ATOM 0 H VAL A 48 2.088 -7.964 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.057 -6.090 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 48 0.355 -6.341 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.402 -5.366 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.747 -6.796 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.069 -5.165 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.474 -3.925 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.022 -3.637 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.605 -4.291 -0.112 1.00 0.00 H new ATOM 764 N SER A 49 1.544 -4.403 -2.704 1.00 0.00 N ATOM 765 CA SER A 49 2.425 -3.579 -3.503 1.00 0.00 C ATOM 766 C SER A 49 2.272 -2.115 -3.118 1.00 0.00 C ATOM 767 O SER A 49 1.182 -1.545 -3.220 1.00 0.00 O ATOM 768 CB SER A 49 2.126 -3.768 -4.991 1.00 0.00 C ATOM 769 OG SER A 49 2.341 -5.114 -5.384 1.00 0.00 O ATOM 0 H SER A 49 0.595 -4.039 -2.612 1.00 0.00 H new ATOM 0 HA SER A 49 3.454 -3.885 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.094 -3.485 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.761 -3.107 -5.580 1.00 0.00 H new ATOM 0 HG SER A 49 2.458 -5.156 -6.356 1.00 0.00 H new ATOM 775 N LEU A 50 3.354 -1.527 -2.640 1.00 0.00 N ATOM 776 CA LEU A 50 3.381 -0.104 -2.344 1.00 0.00 C ATOM 777 C LEU A 50 3.942 0.634 -3.550 1.00 0.00 C ATOM 778 O LEU A 50 4.828 0.121 -4.235 1.00 0.00 O ATOM 779 CB LEU A 50 4.239 0.206 -1.106 1.00 0.00 C ATOM 780 CG LEU A 50 3.701 -0.289 0.247 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.739 -1.806 0.343 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.496 0.333 1.386 1.00 0.00 C ATOM 0 H LEU A 50 4.229 -2.014 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 50 2.364 0.223 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.227 -0.228 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.371 1.286 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 50 2.659 0.021 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.351 -2.119 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.126 -2.236 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.767 -2.152 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.106 -0.024 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.545 0.051 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.407 1.418 1.342 1.00 0.00 H new ATOM 794 N LYS A 51 3.425 1.818 -3.823 1.00 0.00 N ATOM 795 CA LYS A 51 3.890 2.579 -4.965 1.00 0.00 C ATOM 796 C LYS A 51 5.215 3.259 -4.639 1.00 0.00 C ATOM 797 O LYS A 51 5.249 4.358 -4.076 1.00 0.00 O ATOM 798 CB LYS A 51 2.833 3.591 -5.406 1.00 0.00 C ATOM 799 CG LYS A 51 3.098 4.187 -6.779 1.00 0.00 C ATOM 800 CD LYS A 51 1.854 4.846 -7.351 1.00 0.00 C ATOM 801 CE LYS A 51 2.075 5.317 -8.781 1.00 0.00 C ATOM 802 NZ LYS A 51 2.961 6.509 -8.848 1.00 0.00 N ATOM 0 H LYS A 51 2.691 2.268 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 51 4.058 1.898 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.857 3.106 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.784 4.396 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.900 4.922 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.440 3.405 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.023 4.141 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.572 5.695 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.513 4.507 -9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.114 5.555 -9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.084 6.795 -9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.532 7.291 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.888 6.276 -8.438 1.00 0.00 H new ATOM 816 N THR A 52 6.300 2.560 -4.963 1.00 0.00 N ATOM 817 CA THR A 52 7.657 3.037 -4.733 1.00 0.00 C ATOM 818 C THR A 52 8.003 3.028 -3.237 1.00 0.00 C ATOM 819 O THR A 52 8.572 2.052 -2.751 1.00 0.00 O ATOM 820 CB THR A 52 7.867 4.441 -5.340 1.00 0.00 C ATOM 821 OG1 THR A 52 7.368 4.449 -6.689 1.00 0.00 O ATOM 822 CG2 THR A 52 9.339 4.827 -5.337 1.00 0.00 C ATOM 0 H THR A 52 6.259 1.638 -5.397 1.00 0.00 H new ATOM 0 HA THR A 52 8.337 2.350 -5.238 1.00 0.00 H new ATOM 0 HB THR A 52 7.326 5.167 -4.734 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.497 5.338 -7.080 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.456 5.820 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.712 4.832 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.906 4.106 -5.926 1.00 0.00 H new ATOM 830 N SER A 53 7.623 4.098 -2.526 1.00 0.00 N ATOM 831 CA SER A 53 7.882 4.275 -1.083 1.00 0.00 C ATOM 832 C SER A 53 9.384 4.247 -0.739 1.00 0.00 C ATOM 833 O SER A 53 10.196 3.676 -1.467 1.00 0.00 O ATOM 834 CB SER A 53 7.113 3.236 -0.239 1.00 0.00 C ATOM 835 OG SER A 53 7.662 1.935 -0.358 1.00 0.00 O ATOM 0 H SER A 53 7.118 4.881 -2.941 1.00 0.00 H new ATOM 0 HA SER A 53 7.513 5.269 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.127 3.539 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.069 3.218 -0.552 1.00 0.00 H new ATOM 0 HG SER A 53 8.318 1.922 -1.086 1.00 0.00 H new ATOM 841 N PRO A 54 9.775 4.890 0.375 1.00 0.00 N ATOM 842 CA PRO A 54 11.164 4.888 0.843 1.00 0.00 C ATOM 843 C PRO A 54 11.588 3.523 1.380 1.00 0.00 C ATOM 844 O PRO A 54 12.705 3.065 1.135 1.00 0.00 O ATOM 845 CB PRO A 54 11.178 5.930 1.974 1.00 0.00 C ATOM 846 CG PRO A 54 9.878 6.656 1.869 1.00 0.00 C ATOM 847 CD PRO A 54 8.912 5.687 1.255 1.00 0.00 C ATOM 0 HA PRO A 54 11.860 5.114 0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.281 5.450 2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.019 6.615 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.533 6.982 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.979 7.550 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.422 5.071 2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.125 6.196 0.699 1.00 0.00 H new ATOM 855 N GLU A 55 10.681 2.874 2.101 1.00 0.00 N ATOM 856 CA GLU A 55 10.964 1.585 2.718 1.00 0.00 C ATOM 857 C GLU A 55 11.200 0.499 1.673 1.00 0.00 C ATOM 858 O GLU A 55 12.182 -0.241 1.758 1.00 0.00 O ATOM 859 CB GLU A 55 9.826 1.185 3.656 1.00 0.00 C ATOM 860 CG GLU A 55 9.938 1.782 5.053 1.00 0.00 C ATOM 861 CD GLU A 55 10.055 3.295 5.060 1.00 0.00 C ATOM 862 OE1 GLU A 55 9.033 3.979 4.863 1.00 0.00 O ATOM 863 OE2 GLU A 55 11.171 3.804 5.288 1.00 0.00 O ATOM 0 H GLU A 55 9.738 3.223 2.273 1.00 0.00 H new ATOM 0 HA GLU A 55 11.882 1.689 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.879 1.494 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.800 0.098 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.063 1.491 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.809 1.356 5.552 1.00 0.00 H new ATOM 870 N LEU A 56 10.313 0.402 0.684 1.00 0.00 N ATOM 871 CA LEU A 56 10.480 -0.592 -0.370 1.00 0.00 C ATOM 872 C LEU A 56 11.706 -0.280 -1.217 1.00 0.00 C ATOM 873 O LEU A 56 12.366 -1.188 -1.715 1.00 0.00 O ATOM 874 CB LEU A 56 9.241 -0.700 -1.264 1.00 0.00 C ATOM 875 CG LEU A 56 8.010 -1.340 -0.616 1.00 0.00 C ATOM 876 CD1 LEU A 56 6.978 -1.669 -1.678 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.394 -2.593 0.157 1.00 0.00 C ATOM 0 H LEU A 56 9.485 0.990 0.592 1.00 0.00 H new ATOM 0 HA LEU A 56 10.619 -1.555 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.972 0.300 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.504 -1.277 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 56 7.580 -0.628 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.106 -2.124 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.679 -0.755 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.407 -2.365 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.503 -3.030 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.848 -3.315 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.107 -2.334 0.940 1.00 0.00 H new ATOM 889 N ALA A 57 12.007 1.007 -1.376 1.00 0.00 N ATOM 890 CA ALA A 57 13.211 1.419 -2.084 1.00 0.00 C ATOM 891 C ALA A 57 14.438 0.772 -1.452 1.00 0.00 C ATOM 892 O ALA A 57 15.216 0.104 -2.134 1.00 0.00 O ATOM 893 CB ALA A 57 13.342 2.937 -2.087 1.00 0.00 C ATOM 0 H ALA A 57 11.436 1.776 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 57 13.137 1.086 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.248 3.223 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.476 3.376 -2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.396 3.300 -1.060 1.00 0.00 H new ATOM 899 N GLU A 58 14.581 0.948 -0.143 1.00 0.00 N ATOM 900 CA GLU A 58 15.663 0.325 0.612 1.00 0.00 C ATOM 901 C GLU A 58 15.634 -1.190 0.458 1.00 0.00 C ATOM 902 O GLU A 58 16.651 -1.821 0.165 1.00 0.00 O ATOM 903 CB GLU A 58 15.538 0.674 2.093 1.00 0.00 C ATOM 904 CG GLU A 58 15.840 2.124 2.412 1.00 0.00 C ATOM 905 CD GLU A 58 17.288 2.493 2.130 1.00 0.00 C ATOM 906 OE1 GLU A 58 17.661 2.633 0.948 1.00 0.00 O ATOM 907 OE2 GLU A 58 18.060 2.647 3.101 1.00 0.00 O ATOM 0 H GLU A 58 13.955 1.522 0.422 1.00 0.00 H new ATOM 0 HA GLU A 58 16.606 0.705 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.526 0.442 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.215 0.038 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.184 2.766 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.617 2.316 3.462 1.00 0.00 H new ATOM 914 N LEU A 59 14.455 -1.760 0.653 1.00 0.00 N ATOM 915 CA LEU A 59 14.271 -3.202 0.611 1.00 0.00 C ATOM 916 C LEU A 59 14.667 -3.781 -0.752 1.00 0.00 C ATOM 917 O LEU A 59 15.093 -4.930 -0.843 1.00 0.00 O ATOM 918 CB LEU A 59 12.814 -3.535 0.934 1.00 0.00 C ATOM 919 CG LEU A 59 12.524 -5.014 1.175 1.00 0.00 C ATOM 920 CD1 LEU A 59 13.377 -5.545 2.316 1.00 0.00 C ATOM 921 CD2 LEU A 59 11.047 -5.224 1.472 1.00 0.00 C ATOM 0 H LEU A 59 13.600 -1.237 0.844 1.00 0.00 H new ATOM 0 HA LEU A 59 14.923 -3.657 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.518 -2.974 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.188 -3.187 0.112 1.00 0.00 H new ATOM 0 HG LEU A 59 12.777 -5.567 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.157 -6.601 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.432 -5.427 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.155 -4.988 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.857 -6.284 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.771 -4.659 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.453 -4.880 0.625 1.00 0.00 H new ATOM 933 N LEU A 60 14.535 -2.977 -1.802 1.00 0.00 N ATOM 934 CA LEU A 60 14.924 -3.396 -3.146 1.00 0.00 C ATOM 935 C LEU A 60 16.436 -3.579 -3.257 1.00 0.00 C ATOM 936 O LEU A 60 16.911 -4.404 -4.036 1.00 0.00 O ATOM 937 CB LEU A 60 14.442 -2.381 -4.187 1.00 0.00 C ATOM 938 CG LEU A 60 13.269 -2.843 -5.062 1.00 0.00 C ATOM 939 CD1 LEU A 60 12.059 -3.189 -4.208 1.00 0.00 C ATOM 940 CD2 LEU A 60 12.917 -1.769 -6.079 1.00 0.00 C ATOM 0 H LEU A 60 14.161 -2.030 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 60 14.450 -4.358 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.150 -1.467 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.280 -2.126 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 60 13.572 -3.743 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.241 -3.514 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.318 -3.992 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.749 -2.310 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.083 -2.109 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.635 -0.854 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.780 -1.573 -6.715 1.00 0.00 H new ATOM 952 N ARG A 61 17.191 -2.801 -2.486 1.00 0.00 N ATOM 953 CA ARG A 61 18.645 -2.936 -2.472 1.00 0.00 C ATOM 954 C ARG A 61 19.057 -4.167 -1.678 1.00 0.00 C ATOM 955 O ARG A 61 19.846 -4.986 -2.145 1.00 0.00 O ATOM 956 CB ARG A 61 19.329 -1.711 -1.856 1.00 0.00 C ATOM 957 CG ARG A 61 19.387 -0.474 -2.741 1.00 0.00 C ATOM 958 CD ARG A 61 18.052 0.244 -2.816 1.00 0.00 C ATOM 959 NE ARG A 61 18.212 1.637 -3.220 1.00 0.00 N ATOM 960 CZ ARG A 61 17.313 2.326 -3.915 1.00 0.00 C ATOM 961 NH1 ARG A 61 16.176 1.758 -4.302 1.00 0.00 N ATOM 962 NH2 ARG A 61 17.553 3.593 -4.215 1.00 0.00 N ATOM 0 H ARG A 61 16.825 -2.077 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 61 18.961 -3.030 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.808 -1.452 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.347 -1.986 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 61 20.144 0.210 -2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 61 19.699 -0.763 -3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.402 -0.269 -3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.560 0.201 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 61 19.072 2.114 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.986 0.784 -4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.493 2.296 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.422 4.033 -3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.869 4.129 -4.748 1.00 0.00 H new ATOM 976 N GLN A 62 18.505 -4.285 -0.477 1.00 0.00 N ATOM 977 CA GLN A 62 18.896 -5.332 0.459 1.00 0.00 C ATOM 978 C GLN A 62 18.364 -6.698 0.034 1.00 0.00 C ATOM 979 O GLN A 62 19.033 -7.714 0.229 1.00 0.00 O ATOM 980 CB GLN A 62 18.412 -4.982 1.873 1.00 0.00 C ATOM 981 CG GLN A 62 19.350 -4.053 2.643 1.00 0.00 C ATOM 982 CD GLN A 62 19.670 -2.763 1.906 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.632 -2.693 1.143 1.00 0.00 O ATOM 984 NE2 GLN A 62 18.885 -1.724 2.144 1.00 0.00 N ATOM 0 H GLN A 62 17.778 -3.662 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 62 19.984 -5.392 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.431 -4.513 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.285 -5.904 2.440 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.898 -3.810 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.280 -4.582 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.095 -1.817 2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.070 -0.830 1.689 1.00 0.00 H new ATOM 993 N GLN A 63 17.161 -6.714 -0.541 1.00 0.00 N ATOM 994 CA GLN A 63 16.533 -7.946 -1.024 1.00 0.00 C ATOM 995 C GLN A 63 16.370 -8.959 0.110 1.00 0.00 C ATOM 996 O GLN A 63 16.323 -8.584 1.283 1.00 0.00 O ATOM 997 CB GLN A 63 17.353 -8.559 -2.165 1.00 0.00 C ATOM 998 CG GLN A 63 17.557 -7.620 -3.344 1.00 0.00 C ATOM 999 CD GLN A 63 18.208 -8.300 -4.531 1.00 0.00 C ATOM 1000 OE1 GLN A 63 19.433 -8.355 -4.641 1.00 0.00 O ATOM 1001 NE2 GLN A 63 17.392 -8.807 -5.440 1.00 0.00 N ATOM 0 H GLN A 63 16.596 -5.877 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 63 15.543 -7.691 -1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.327 -8.861 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.854 -9.463 -2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.593 -7.212 -3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 63 18.174 -6.778 -3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.382 -8.741 -5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.773 -9.264 -6.269 1.00 0.00 H new ATOM 1010 N HIS A 64 16.261 -10.240 -0.259 1.00 0.00 N ATOM 1011 CA HIS A 64 16.143 -11.345 0.702 1.00 0.00 C ATOM 1012 C HIS A 64 14.800 -11.314 1.420 1.00 0.00 C ATOM 1013 O HIS A 64 14.615 -11.961 2.452 1.00 0.00 O ATOM 1014 CB HIS A 64 17.293 -11.327 1.717 1.00 0.00 C ATOM 1015 CG HIS A 64 18.641 -11.501 1.093 1.00 0.00 C ATOM 1016 ND1 HIS A 64 19.052 -12.678 0.511 1.00 0.00 N ATOM 1017 CD2 HIS A 64 19.665 -10.631 0.942 1.00 0.00 C ATOM 1018 CE1 HIS A 64 20.270 -12.525 0.029 1.00 0.00 C ATOM 1019 NE2 HIS A 64 20.670 -11.291 0.277 1.00 0.00 N ATOM 0 H HIS A 64 16.252 -10.541 -1.233 1.00 0.00 H new ATOM 0 HA HIS A 64 16.204 -12.274 0.135 1.00 0.00 H new ATOM 0 HB2 HIS A 64 17.272 -10.383 2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 64 17.135 -12.120 2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 64 19.689 -9.606 1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 64 20.845 -13.283 -0.483 1.00 0.00 H new ATOM 0 HE2 HIS A 64 21.573 -10.894 0.018 1.00 0.00 H new ATOM 1028 N SER A 65 13.864 -10.567 0.857 1.00 0.00 N ATOM 1029 CA SER A 65 12.518 -10.480 1.394 1.00 0.00 C ATOM 1030 C SER A 65 11.525 -11.159 0.455 1.00 0.00 C ATOM 1031 O SER A 65 10.314 -11.098 0.666 1.00 0.00 O ATOM 1032 CB SER A 65 12.147 -9.012 1.591 1.00 0.00 C ATOM 1033 OG SER A 65 12.483 -8.256 0.439 1.00 0.00 O ATOM 0 H SER A 65 14.016 -10.007 0.018 1.00 0.00 H new ATOM 0 HA SER A 65 12.480 -10.993 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.079 -8.924 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.669 -8.612 2.460 1.00 0.00 H new ATOM 0 HG SER A 65 11.711 -7.718 0.164 1.00 0.00 H new ATOM 1039 N ASP A 66 12.064 -11.802 -0.584 1.00 0.00 N ATOM 1040 CA ASP A 66 11.260 -12.490 -1.595 1.00 0.00 C ATOM 1041 C ASP A 66 10.292 -11.506 -2.261 1.00 0.00 C ATOM 1042 O ASP A 66 9.114 -11.797 -2.472 1.00 0.00 O ATOM 1043 CB ASP A 66 10.510 -13.678 -0.975 1.00 0.00 C ATOM 1044 CG ASP A 66 9.939 -14.618 -2.019 1.00 0.00 C ATOM 1045 OD1 ASP A 66 10.686 -15.037 -2.924 1.00 0.00 O ATOM 1046 OD2 ASP A 66 8.734 -14.948 -1.946 1.00 0.00 O ATOM 0 H ASP A 66 13.069 -11.860 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 66 11.925 -12.884 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.188 -14.232 -0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.701 -13.304 -0.347 1.00 0.00 H new ATOM 1051 N VAL A 67 10.810 -10.328 -2.585 1.00 0.00 N ATOM 1052 CA VAL A 67 10.030 -9.307 -3.266 1.00 0.00 C ATOM 1053 C VAL A 67 10.350 -9.316 -4.758 1.00 0.00 C ATOM 1054 O VAL A 67 11.512 -9.404 -5.152 1.00 0.00 O ATOM 1055 CB VAL A 67 10.294 -7.898 -2.676 1.00 0.00 C ATOM 1056 CG1 VAL A 67 11.776 -7.549 -2.721 1.00 0.00 C ATOM 1057 CG2 VAL A 67 9.471 -6.839 -3.400 1.00 0.00 C ATOM 0 H VAL A 67 11.773 -10.057 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 67 8.975 -9.538 -3.118 1.00 0.00 H new ATOM 0 HB VAL A 67 9.984 -7.916 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.929 -6.555 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.340 -8.279 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.122 -7.562 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.675 -5.860 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.738 -6.830 -4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.410 -7.068 -3.295 1.00 0.00 H new ATOM 1067 N ARG A 68 9.323 -9.245 -5.587 1.00 0.00 N ATOM 1068 CA ARG A 68 9.530 -9.252 -7.024 1.00 0.00 C ATOM 1069 C ARG A 68 8.943 -8.007 -7.674 1.00 0.00 C ATOM 1070 O ARG A 68 7.781 -7.662 -7.445 1.00 0.00 O ATOM 1071 CB ARG A 68 8.936 -10.504 -7.682 1.00 0.00 C ATOM 1072 CG ARG A 68 7.487 -10.762 -7.318 1.00 0.00 C ATOM 1073 CD ARG A 68 7.384 -11.637 -6.086 1.00 0.00 C ATOM 1074 NE ARG A 68 7.590 -13.051 -6.401 1.00 0.00 N ATOM 1075 CZ ARG A 68 7.854 -13.988 -5.490 1.00 0.00 C ATOM 1076 NH1 ARG A 68 8.008 -13.650 -4.217 1.00 0.00 N ATOM 1077 NH2 ARG A 68 7.968 -15.258 -5.855 1.00 0.00 N ATOM 0 H ARG A 68 8.348 -9.183 -5.294 1.00 0.00 H new ATOM 0 HA ARG A 68 10.609 -9.260 -7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.016 -10.406 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.532 -11.370 -7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.979 -9.814 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.979 -11.243 -8.154 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.123 -11.318 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.403 -11.506 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 68 7.528 -13.338 -7.378 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.924 -12.673 -3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.210 -14.367 -3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.854 -15.519 -6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.170 -15.973 -5.156 1.00 0.00 H new ATOM 1091 N PRO A 69 9.751 -7.300 -8.472 1.00 0.00 N ATOM 1092 CA PRO A 69 9.264 -6.209 -9.312 1.00 0.00 C ATOM 1093 C PRO A 69 8.329 -6.753 -10.388 1.00 0.00 C ATOM 1094 O PRO A 69 8.745 -7.532 -11.250 1.00 0.00 O ATOM 1095 CB PRO A 69 10.539 -5.627 -9.931 1.00 0.00 C ATOM 1096 CG PRO A 69 11.547 -6.723 -9.844 1.00 0.00 C ATOM 1097 CD PRO A 69 11.201 -7.508 -8.612 1.00 0.00 C ATOM 0 HA PRO A 69 8.693 -5.462 -8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.373 -5.325 -10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.872 -4.741 -9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.513 -7.355 -10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.557 -6.319 -9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 69 11.446 -8.564 -8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.745 -7.147 -7.739 1.00 0.00 H new ATOM 1105 N SER A 70 7.067 -6.363 -10.323 1.00 0.00 N ATOM 1106 CA SER A 70 6.053 -6.962 -11.173 1.00 0.00 C ATOM 1107 C SER A 70 6.073 -6.354 -12.571 1.00 0.00 C ATOM 1108 O SER A 70 5.759 -5.181 -12.753 1.00 0.00 O ATOM 1109 CB SER A 70 4.670 -6.793 -10.540 1.00 0.00 C ATOM 1110 OG SER A 70 3.678 -7.486 -11.278 1.00 0.00 O ATOM 0 H SER A 70 6.722 -5.638 -9.694 1.00 0.00 H new ATOM 0 HA SER A 70 6.275 -8.025 -11.267 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.689 -7.163 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.417 -5.734 -10.491 1.00 0.00 H new ATOM 0 HG SER A 70 2.964 -7.777 -10.673 1.00 0.00 H new ATOM 1116 N ARG A 71 6.451 -7.164 -13.554 1.00 0.00 N ATOM 1117 CA ARG A 71 6.431 -6.745 -14.947 1.00 0.00 C ATOM 1118 C ARG A 71 4.990 -6.664 -15.441 1.00 0.00 C ATOM 1119 O ARG A 71 4.671 -5.902 -16.354 1.00 0.00 O ATOM 1120 CB ARG A 71 7.260 -7.722 -15.797 1.00 0.00 C ATOM 1121 CG ARG A 71 7.261 -7.421 -17.289 1.00 0.00 C ATOM 1122 CD ARG A 71 6.236 -8.263 -18.038 1.00 0.00 C ATOM 1123 NE ARG A 71 6.589 -9.683 -18.053 1.00 0.00 N ATOM 1124 CZ ARG A 71 5.965 -10.596 -18.797 1.00 0.00 C ATOM 1125 NH1 ARG A 71 4.893 -10.258 -19.505 1.00 0.00 N ATOM 1126 NH2 ARG A 71 6.401 -11.851 -18.816 1.00 0.00 N ATOM 0 H ARG A 71 6.776 -8.120 -13.408 1.00 0.00 H new ATOM 0 HA ARG A 71 6.877 -5.755 -15.039 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.289 -7.713 -15.437 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.878 -8.731 -15.644 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.047 -6.364 -17.446 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.254 -7.610 -17.697 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.258 -8.139 -17.574 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.151 -7.901 -19.063 1.00 0.00 H new ATOM 0 HE ARG A 71 7.358 -9.992 -17.459 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.547 -9.299 -19.480 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.416 -10.958 -20.074 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.214 -12.117 -18.261 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.922 -12.549 -19.386 1.00 0.00 H new ATOM 1140 N HIS A 72 4.120 -7.447 -14.810 1.00 0.00 N ATOM 1141 CA HIS A 72 2.700 -7.443 -15.140 1.00 0.00 C ATOM 1142 C HIS A 72 2.069 -6.111 -14.725 1.00 0.00 C ATOM 1143 O HIS A 72 1.076 -5.674 -15.306 1.00 0.00 O ATOM 1144 CB HIS A 72 1.991 -8.617 -14.442 1.00 0.00 C ATOM 1145 CG HIS A 72 0.555 -8.813 -14.847 1.00 0.00 C ATOM 1146 ND1 HIS A 72 0.140 -9.818 -15.699 1.00 0.00 N ATOM 1147 CD2 HIS A 72 -0.571 -8.145 -14.490 1.00 0.00 C ATOM 1148 CE1 HIS A 72 -1.171 -9.756 -15.845 1.00 0.00 C ATOM 1149 NE2 HIS A 72 -1.624 -8.753 -15.125 1.00 0.00 N ATOM 0 H HIS A 72 4.376 -8.094 -14.065 1.00 0.00 H new ATOM 0 HA HIS A 72 2.585 -7.561 -16.217 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.542 -9.534 -14.652 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.032 -8.460 -13.364 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.628 -7.293 -13.829 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.770 -10.417 -16.453 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.602 -8.472 -15.051 1.00 0.00 H new ATOM 1158 N LEU A 73 2.649 -5.475 -13.714 1.00 0.00 N ATOM 1159 CA LEU A 73 2.156 -4.189 -13.237 1.00 0.00 C ATOM 1160 C LEU A 73 3.035 -3.052 -13.749 1.00 0.00 C ATOM 1161 O LEU A 73 2.680 -2.361 -14.703 1.00 0.00 O ATOM 1162 CB LEU A 73 2.109 -4.164 -11.704 1.00 0.00 C ATOM 1163 CG LEU A 73 1.193 -5.205 -11.059 1.00 0.00 C ATOM 1164 CD1 LEU A 73 1.316 -5.148 -9.544 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -0.251 -4.980 -11.483 1.00 0.00 C ATOM 0 H LEU A 73 3.461 -5.829 -13.209 1.00 0.00 H new ATOM 0 HA LEU A 73 1.146 -4.051 -13.622 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.120 -4.309 -11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.787 -3.173 -11.383 1.00 0.00 H new ATOM 0 HG LEU A 73 1.501 -6.195 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.659 -5.894 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.347 -5.353 -9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.031 -4.156 -9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.889 -5.730 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.571 -3.986 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.329 -5.063 -12.567 1.00 0.00 H new ATOM 1177 N ASN A 74 4.191 -2.881 -13.122 1.00 0.00 N ATOM 1178 CA ASN A 74 5.137 -1.836 -13.496 1.00 0.00 C ATOM 1179 C ASN A 74 6.469 -2.104 -12.805 1.00 0.00 C ATOM 1180 O ASN A 74 6.612 -1.877 -11.605 1.00 0.00 O ATOM 1181 CB ASN A 74 4.596 -0.455 -13.122 1.00 0.00 C ATOM 1182 CG ASN A 74 5.451 0.670 -13.665 1.00 0.00 C ATOM 1183 OD1 ASN A 74 6.132 0.514 -14.674 1.00 0.00 O ATOM 1184 ND2 ASN A 74 5.407 1.816 -13.010 1.00 0.00 N ATOM 0 H ASN A 74 4.500 -3.461 -12.342 1.00 0.00 H new ATOM 0 HA ASN A 74 5.282 -1.848 -14.576 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.580 -0.351 -13.503 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.539 -0.372 -12.037 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.952 2.613 -13.339 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.828 1.904 -12.175 1.00 0.00 H new ATOM 1191 N LYS A 75 7.428 -2.578 -13.586 1.00 0.00 N ATOM 1192 CA LYS A 75 8.655 -3.195 -13.075 1.00 0.00 C ATOM 1193 C LYS A 75 9.396 -2.336 -12.043 1.00 0.00 C ATOM 1194 O LYS A 75 9.672 -2.796 -10.937 1.00 0.00 O ATOM 1195 CB LYS A 75 9.579 -3.523 -14.258 1.00 0.00 C ATOM 1196 CG LYS A 75 10.593 -4.629 -13.983 1.00 0.00 C ATOM 1197 CD LYS A 75 11.798 -4.135 -13.192 1.00 0.00 C ATOM 1198 CE LYS A 75 12.778 -5.265 -12.923 1.00 0.00 C ATOM 1199 NZ LYS A 75 13.951 -4.824 -12.119 1.00 0.00 N ATOM 0 H LYS A 75 7.381 -2.547 -14.604 1.00 0.00 H new ATOM 0 HA LYS A 75 8.363 -4.103 -12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.966 -3.814 -15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.116 -2.619 -14.545 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.107 -5.434 -13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.932 -5.050 -14.930 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.298 -3.340 -13.745 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.465 -3.706 -12.247 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.264 -6.070 -12.398 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.125 -5.674 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.588 -5.631 -11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.460 -4.074 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.625 -4.458 -11.202 1.00 0.00 H new ATOM 1213 N ALA A 76 9.707 -1.097 -12.392 1.00 0.00 N ATOM 1214 CA ALA A 76 10.626 -0.295 -11.585 1.00 0.00 C ATOM 1215 C ALA A 76 9.909 0.643 -10.618 1.00 0.00 C ATOM 1216 O ALA A 76 10.540 1.511 -10.016 1.00 0.00 O ATOM 1217 CB ALA A 76 11.555 0.500 -12.494 1.00 0.00 C ATOM 0 H ALA A 76 9.343 -0.625 -13.220 1.00 0.00 H new ATOM 0 HA ALA A 76 11.204 -0.991 -10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.237 1.095 -11.887 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.129 -0.186 -13.117 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.965 1.160 -13.129 1.00 0.00 H new ATOM 1223 N HIS A 77 8.603 0.484 -10.451 1.00 0.00 N ATOM 1224 CA HIS A 77 7.864 1.365 -9.543 1.00 0.00 C ATOM 1225 C HIS A 77 6.830 0.615 -8.712 1.00 0.00 C ATOM 1226 O HIS A 77 6.428 1.086 -7.647 1.00 0.00 O ATOM 1227 CB HIS A 77 7.212 2.519 -10.310 1.00 0.00 C ATOM 1228 CG HIS A 77 8.198 3.575 -10.731 1.00 0.00 C ATOM 1229 ND1 HIS A 77 8.494 3.863 -12.045 1.00 0.00 N ATOM 1230 CD2 HIS A 77 8.975 4.399 -9.988 1.00 0.00 C ATOM 1231 CE1 HIS A 77 9.409 4.813 -12.090 1.00 0.00 C ATOM 1232 NE2 HIS A 77 9.718 5.158 -10.855 1.00 0.00 N ATOM 0 H HIS A 77 8.040 -0.227 -10.918 1.00 0.00 H new ATOM 0 HA HIS A 77 8.592 1.778 -8.845 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.711 2.124 -11.194 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.444 2.975 -9.686 1.00 0.00 H new ATOM 0 HD2 HIS A 77 9.004 4.449 -8.910 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.834 5.237 -12.988 1.00 0.00 H new ATOM 0 HE2 HIS A 77 10.397 5.871 -10.589 1.00 0.00 H new ATOM 1241 N TRP A 78 6.396 -0.537 -9.196 1.00 0.00 N ATOM 1242 CA TRP A 78 5.515 -1.404 -8.430 1.00 0.00 C ATOM 1243 C TRP A 78 6.217 -2.718 -8.115 1.00 0.00 C ATOM 1244 O TRP A 78 6.696 -3.411 -9.015 1.00 0.00 O ATOM 1245 CB TRP A 78 4.217 -1.681 -9.192 1.00 0.00 C ATOM 1246 CG TRP A 78 3.285 -0.510 -9.252 1.00 0.00 C ATOM 1247 CD1 TRP A 78 3.219 0.441 -10.227 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.279 -0.168 -8.291 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.231 1.349 -9.938 1.00 0.00 N ATOM 1250 CE2 TRP A 78 1.638 0.995 -8.754 1.00 0.00 C ATOM 1251 CE3 TRP A 78 1.853 -0.738 -7.086 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.598 1.601 -8.054 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 0.820 -0.135 -6.392 1.00 0.00 C ATOM 1254 CH2 TRP A 78 0.203 1.025 -6.878 1.00 0.00 C ATOM 0 H TRP A 78 6.640 -0.895 -10.119 1.00 0.00 H new ATOM 0 HA TRP A 78 5.266 -0.894 -7.499 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.463 -1.989 -10.208 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.702 -2.518 -8.721 1.00 0.00 H new ATOM 0 HD1 TRP A 78 3.853 0.475 -11.101 1.00 0.00 H new ATOM 0 HE1 TRP A 78 1.979 2.155 -10.510 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.323 -1.633 -6.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.120 2.495 -8.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.483 -0.565 -5.460 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.601 1.473 -6.313 1.00 0.00 H new ATOM 1265 N SER A 79 6.274 -3.056 -6.843 1.00 0.00 N ATOM 1266 CA SER A 79 6.908 -4.286 -6.415 1.00 0.00 C ATOM 1267 C SER A 79 5.939 -5.108 -5.576 1.00 0.00 C ATOM 1268 O SER A 79 5.182 -4.568 -4.770 1.00 0.00 O ATOM 1269 CB SER A 79 8.183 -3.972 -5.629 1.00 0.00 C ATOM 1270 OG SER A 79 7.944 -2.985 -4.642 1.00 0.00 O ATOM 0 H SER A 79 5.887 -2.494 -6.085 1.00 0.00 H new ATOM 0 HA SER A 79 7.183 -4.873 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.555 -4.881 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.959 -3.627 -6.312 1.00 0.00 H new ATOM 0 HG SER A 79 8.774 -2.804 -4.153 1.00 0.00 H new ATOM 1276 N THR A 80 5.938 -6.409 -5.796 1.00 0.00 N ATOM 1277 CA THR A 80 5.020 -7.288 -5.108 1.00 0.00 C ATOM 1278 C THR A 80 5.723 -8.024 -3.973 1.00 0.00 C ATOM 1279 O THR A 80 6.628 -8.833 -4.208 1.00 0.00 O ATOM 1280 CB THR A 80 4.406 -8.302 -6.092 1.00 0.00 C ATOM 1281 OG1 THR A 80 3.796 -7.606 -7.187 1.00 0.00 O ATOM 1282 CG2 THR A 80 3.367 -9.174 -5.408 1.00 0.00 C ATOM 0 H THR A 80 6.566 -6.879 -6.448 1.00 0.00 H new ATOM 0 HA THR A 80 4.222 -6.679 -4.684 1.00 0.00 H new ATOM 0 HB THR A 80 5.207 -8.944 -6.458 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.408 -8.254 -7.811 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.952 -9.879 -6.129 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.834 -9.723 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.568 -8.546 -5.013 1.00 0.00 H new ATOM 1290 N VAL A 81 5.310 -7.724 -2.749 1.00 0.00 N ATOM 1291 CA VAL A 81 5.875 -8.351 -1.567 1.00 0.00 C ATOM 1292 C VAL A 81 4.793 -9.168 -0.873 1.00 0.00 C ATOM 1293 O VAL A 81 3.672 -8.695 -0.685 1.00 0.00 O ATOM 1294 CB VAL A 81 6.451 -7.314 -0.576 1.00 0.00 C ATOM 1295 CG1 VAL A 81 7.727 -7.847 0.056 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.693 -5.971 -1.256 1.00 0.00 C ATOM 0 H VAL A 81 4.578 -7.042 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 81 6.697 -8.991 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 81 5.717 -7.149 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.124 -7.108 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.509 -8.771 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.464 -8.044 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.098 -5.264 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.402 -6.100 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.752 -5.588 -1.650 1.00 0.00 H new ATOM 1306 N TYR A 82 5.120 -10.393 -0.500 1.00 0.00 N ATOM 1307 CA TYR A 82 4.128 -11.307 0.052 1.00 0.00 C ATOM 1308 C TYR A 82 3.993 -11.160 1.561 1.00 0.00 C ATOM 1309 O TYR A 82 4.930 -11.437 2.313 1.00 0.00 O ATOM 1310 CB TYR A 82 4.475 -12.750 -0.313 1.00 0.00 C ATOM 1311 CG TYR A 82 4.163 -13.092 -1.752 1.00 0.00 C ATOM 1312 CD1 TYR A 82 4.925 -12.581 -2.794 1.00 0.00 C ATOM 1313 CD2 TYR A 82 3.092 -13.914 -2.067 1.00 0.00 C ATOM 1314 CE1 TYR A 82 4.627 -12.883 -4.108 1.00 0.00 C ATOM 1315 CE2 TYR A 82 2.789 -14.218 -3.379 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.560 -13.703 -4.395 1.00 0.00 C ATOM 1317 OH TYR A 82 3.259 -14.001 -5.702 1.00 0.00 O ATOM 0 H TYR A 82 6.061 -10.780 -0.568 1.00 0.00 H new ATOM 0 HA TYR A 82 3.165 -11.048 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.536 -12.920 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.925 -13.426 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.764 -11.937 -2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.485 -14.323 -1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.229 -12.477 -4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.949 -14.858 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 82 3.744 -14.808 -5.973 1.00 0.00 H new ATOM 1327 N LEU A 83 2.815 -10.724 1.997 1.00 0.00 N ATOM 1328 CA LEU A 83 2.508 -10.627 3.418 1.00 0.00 C ATOM 1329 C LEU A 83 2.393 -12.022 4.014 1.00 0.00 C ATOM 1330 O LEU A 83 2.726 -12.251 5.175 1.00 0.00 O ATOM 1331 CB LEU A 83 1.193 -9.868 3.627 1.00 0.00 C ATOM 1332 CG LEU A 83 1.189 -8.418 3.140 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.201 -7.816 3.266 1.00 0.00 C ATOM 1334 CD2 LEU A 83 2.197 -7.590 3.922 1.00 0.00 C ATOM 0 H LEU A 83 2.055 -10.431 1.383 1.00 0.00 H new ATOM 0 HA LEU A 83 3.312 -10.084 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.396 -10.408 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.953 -9.877 4.690 1.00 0.00 H new ATOM 0 HG LEU A 83 1.475 -8.409 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.184 -6.784 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.903 -8.393 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.514 -7.839 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.180 -6.561 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.939 -7.608 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.195 -8.006 3.784 1.00 0.00 H new ATOM 1346 N ASP A 84 1.935 -12.954 3.191 1.00 0.00 N ATOM 1347 CA ASP A 84 1.777 -14.339 3.603 1.00 0.00 C ATOM 1348 C ASP A 84 3.096 -15.083 3.437 1.00 0.00 C ATOM 1349 O ASP A 84 3.314 -15.787 2.451 1.00 0.00 O ATOM 1350 CB ASP A 84 0.667 -15.020 2.791 1.00 0.00 C ATOM 1351 CG ASP A 84 0.369 -16.431 3.260 1.00 0.00 C ATOM 1352 OD1 ASP A 84 -0.224 -16.587 4.346 1.00 0.00 O ATOM 1353 OD2 ASP A 84 0.707 -17.390 2.533 1.00 0.00 O ATOM 0 H ASP A 84 1.664 -12.772 2.225 1.00 0.00 H new ATOM 0 HA ASP A 84 1.490 -14.363 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.242 -14.422 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.957 -15.046 1.741 1.00 0.00 H new ATOM 1358 N GLY A 85 4.004 -14.851 4.371 1.00 0.00 N ATOM 1359 CA GLY A 85 5.262 -15.569 4.380 1.00 0.00 C ATOM 1360 C GLY A 85 6.457 -14.662 4.603 1.00 0.00 C ATOM 1361 O GLY A 85 7.157 -14.786 5.611 1.00 0.00 O ATOM 0 H GLY A 85 3.892 -14.175 5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.236 -16.327 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.382 -16.094 3.432 1.00 0.00 H new ATOM 1365 N SER A 86 6.684 -13.745 3.673 1.00 0.00 N ATOM 1366 CA SER A 86 7.863 -12.887 3.708 1.00 0.00 C ATOM 1367 C SER A 86 7.800 -11.880 4.854 1.00 0.00 C ATOM 1368 O SER A 86 8.747 -11.752 5.636 1.00 0.00 O ATOM 1369 CB SER A 86 8.005 -12.145 2.381 1.00 0.00 C ATOM 1370 OG SER A 86 8.059 -13.050 1.290 1.00 0.00 O ATOM 0 H SER A 86 6.065 -13.575 2.881 1.00 0.00 H new ATOM 0 HA SER A 86 8.731 -13.526 3.871 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.164 -11.464 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.909 -11.536 2.397 1.00 0.00 H new ATOM 0 HG SER A 86 8.715 -13.753 1.480 1.00 0.00 H new ATOM 1376 N LEU A 87 6.686 -11.170 4.953 1.00 0.00 N ATOM 1377 CA LEU A 87 6.536 -10.127 5.956 1.00 0.00 C ATOM 1378 C LEU A 87 5.883 -10.666 7.217 1.00 0.00 C ATOM 1379 O LEU A 87 4.919 -11.426 7.151 1.00 0.00 O ATOM 1380 CB LEU A 87 5.702 -8.954 5.421 1.00 0.00 C ATOM 1381 CG LEU A 87 6.407 -8.020 4.429 1.00 0.00 C ATOM 1382 CD1 LEU A 87 7.730 -7.534 4.998 1.00 0.00 C ATOM 1383 CD2 LEU A 87 6.618 -8.705 3.091 1.00 0.00 C ATOM 0 H LEU A 87 5.873 -11.297 4.351 1.00 0.00 H new ATOM 0 HA LEU A 87 7.538 -9.772 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.812 -9.358 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.362 -8.360 6.269 1.00 0.00 H new ATOM 0 HG LEU A 87 5.764 -7.155 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.214 -6.873 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.550 -6.991 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.376 -8.389 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.120 -8.020 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.233 -9.594 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.653 -8.993 2.674 1.00 0.00 H new ATOM 1395 N PRO A 88 6.427 -10.304 8.383 1.00 0.00 N ATOM 1396 CA PRO A 88 5.773 -10.549 9.663 1.00 0.00 C ATOM 1397 C PRO A 88 4.526 -9.681 9.803 1.00 0.00 C ATOM 1398 O PRO A 88 4.476 -8.565 9.275 1.00 0.00 O ATOM 1399 CB PRO A 88 6.829 -10.149 10.705 1.00 0.00 C ATOM 1400 CG PRO A 88 8.111 -10.037 9.948 1.00 0.00 C ATOM 1401 CD PRO A 88 7.730 -9.655 8.549 1.00 0.00 C ATOM 0 HA PRO A 88 5.443 -11.582 9.775 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.571 -9.204 11.183 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.904 -10.896 11.495 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.764 -9.286 10.394 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.656 -10.981 9.961 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.662 -8.574 8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.457 -10.012 7.819 1.00 0.00 H new ATOM 1409 N ASP A 89 3.536 -10.189 10.523 1.00 0.00 N ATOM 1410 CA ASP A 89 2.248 -9.511 10.678 1.00 0.00 C ATOM 1411 C ASP A 89 2.416 -8.118 11.290 1.00 0.00 C ATOM 1412 O ASP A 89 1.637 -7.204 11.017 1.00 0.00 O ATOM 1413 CB ASP A 89 1.326 -10.361 11.554 1.00 0.00 C ATOM 1414 CG ASP A 89 -0.096 -9.845 11.587 1.00 0.00 C ATOM 1415 OD1 ASP A 89 -0.807 -9.989 10.570 1.00 0.00 O ATOM 1416 OD2 ASP A 89 -0.525 -9.336 12.642 1.00 0.00 O ATOM 0 H ASP A 89 3.598 -11.080 11.016 1.00 0.00 H new ATOM 0 HA ASP A 89 1.806 -9.387 9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.326 -11.387 11.185 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.721 -10.388 12.570 1.00 0.00 H new ATOM 1421 N SER A 90 3.457 -7.960 12.091 1.00 0.00 N ATOM 1422 CA SER A 90 3.733 -6.702 12.765 1.00 0.00 C ATOM 1423 C SER A 90 4.178 -5.613 11.783 1.00 0.00 C ATOM 1424 O SER A 90 3.918 -4.427 11.999 1.00 0.00 O ATOM 1425 CB SER A 90 4.803 -6.935 13.827 1.00 0.00 C ATOM 1426 OG SER A 90 5.821 -7.795 13.332 1.00 0.00 O ATOM 0 H SER A 90 4.132 -8.697 12.292 1.00 0.00 H new ATOM 0 HA SER A 90 2.814 -6.350 13.233 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.239 -5.982 14.127 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.351 -7.373 14.717 1.00 0.00 H new ATOM 0 HG SER A 90 6.499 -7.932 14.026 1.00 0.00 H new ATOM 1432 N GLN A 91 4.827 -6.023 10.698 1.00 0.00 N ATOM 1433 CA GLN A 91 5.362 -5.096 9.719 1.00 0.00 C ATOM 1434 C GLN A 91 4.248 -4.424 8.921 1.00 0.00 C ATOM 1435 O GLN A 91 4.380 -3.272 8.503 1.00 0.00 O ATOM 1436 CB GLN A 91 6.303 -5.837 8.775 1.00 0.00 C ATOM 1437 CG GLN A 91 7.621 -6.250 9.411 1.00 0.00 C ATOM 1438 CD GLN A 91 8.439 -5.066 9.896 1.00 0.00 C ATOM 1439 OE1 GLN A 91 8.344 -3.966 9.355 1.00 0.00 O ATOM 1440 NE2 GLN A 91 9.268 -5.289 10.904 1.00 0.00 N ATOM 0 H GLN A 91 4.994 -7.005 10.477 1.00 0.00 H new ATOM 0 HA GLN A 91 5.910 -4.317 10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.798 -6.727 8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.511 -5.202 7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.421 -6.915 10.251 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.206 -6.817 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.319 -6.216 11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.856 -4.534 11.257 1.00 0.00 H new ATOM 1449 N ILE A 92 3.153 -5.155 8.721 1.00 0.00 N ATOM 1450 CA ILE A 92 2.037 -4.685 7.899 1.00 0.00 C ATOM 1451 C ILE A 92 1.538 -3.311 8.357 1.00 0.00 C ATOM 1452 O ILE A 92 1.243 -2.447 7.531 1.00 0.00 O ATOM 1453 CB ILE A 92 0.862 -5.687 7.921 1.00 0.00 C ATOM 1454 CG1 ILE A 92 1.359 -7.090 7.557 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -0.240 -5.245 6.962 1.00 0.00 C ATOM 1456 CD1 ILE A 92 0.284 -8.153 7.621 1.00 0.00 C ATOM 0 H ILE A 92 3.014 -6.083 9.120 1.00 0.00 H new ATOM 0 HA ILE A 92 2.414 -4.600 6.880 1.00 0.00 H new ATOM 0 HB ILE A 92 0.446 -5.713 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.776 -7.068 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.170 -7.365 8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.059 -5.964 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.608 -4.263 7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.159 -5.192 5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.711 -9.119 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.117 -8.204 8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.517 -7.903 6.925 1.00 0.00 H new ATOM 1468 N TYR A 93 1.476 -3.111 9.673 1.00 0.00 N ATOM 1469 CA TYR A 93 1.028 -1.841 10.241 1.00 0.00 C ATOM 1470 C TYR A 93 1.874 -0.679 9.730 1.00 0.00 C ATOM 1471 O TYR A 93 1.347 0.336 9.270 1.00 0.00 O ATOM 1472 CB TYR A 93 1.103 -1.875 11.773 1.00 0.00 C ATOM 1473 CG TYR A 93 0.045 -2.723 12.439 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -1.250 -2.248 12.597 1.00 0.00 C ATOM 1475 CD2 TYR A 93 0.345 -3.990 12.926 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -2.219 -3.011 13.219 1.00 0.00 C ATOM 1477 CE2 TYR A 93 -0.618 -4.760 13.553 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.900 -4.266 13.695 1.00 0.00 C ATOM 1479 OH TYR A 93 -2.863 -5.026 14.319 1.00 0.00 O ATOM 0 H TYR A 93 1.731 -3.814 10.367 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.006 -1.694 9.929 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.085 -2.246 12.067 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.022 -0.855 12.150 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.504 -1.266 12.227 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.346 -4.379 12.813 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.222 -2.627 13.332 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.369 -5.741 13.929 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.476 -5.883 14.594 1.00 0.00 H new ATOM 1489 N TYR A 94 3.190 -0.845 9.796 1.00 0.00 N ATOM 1490 CA TYR A 94 4.110 0.235 9.470 1.00 0.00 C ATOM 1491 C TYR A 94 4.147 0.485 7.967 1.00 0.00 C ATOM 1492 O TYR A 94 4.262 1.626 7.528 1.00 0.00 O ATOM 1493 CB TYR A 94 5.515 -0.080 9.993 1.00 0.00 C ATOM 1494 CG TYR A 94 6.451 1.107 9.959 1.00 0.00 C ATOM 1495 CD1 TYR A 94 6.397 2.080 10.949 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.382 1.259 8.939 1.00 0.00 C ATOM 1497 CE1 TYR A 94 7.242 3.170 10.925 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.232 2.349 8.908 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.158 3.302 9.903 1.00 0.00 C ATOM 1500 OH TYR A 94 9.001 4.390 9.876 1.00 0.00 O ATOM 0 H TYR A 94 3.642 -1.717 10.072 1.00 0.00 H new ATOM 0 HA TYR A 94 3.752 1.142 9.957 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.440 -0.444 11.018 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.943 -0.887 9.399 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.681 1.981 11.751 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.443 0.515 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.186 3.917 11.703 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.951 2.454 8.109 1.00 0.00 H new ATOM 0 HH TYR A 94 9.585 4.332 9.091 1.00 0.00 H new ATOM 1510 N LEU A 95 4.036 -0.585 7.186 1.00 0.00 N ATOM 1511 CA LEU A 95 4.051 -0.471 5.731 1.00 0.00 C ATOM 1512 C LEU A 95 2.930 0.444 5.243 1.00 0.00 C ATOM 1513 O LEU A 95 3.145 1.316 4.402 1.00 0.00 O ATOM 1514 CB LEU A 95 3.916 -1.853 5.086 1.00 0.00 C ATOM 1515 CG LEU A 95 5.070 -2.819 5.365 1.00 0.00 C ATOM 1516 CD1 LEU A 95 4.815 -4.163 4.698 1.00 0.00 C ATOM 1517 CD2 LEU A 95 6.386 -2.227 4.885 1.00 0.00 C ATOM 0 H LEU A 95 3.935 -1.538 7.535 1.00 0.00 H new ATOM 0 HA LEU A 95 5.005 -0.034 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.989 -2.309 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.823 -1.725 4.008 1.00 0.00 H new ATOM 0 HG LEU A 95 5.135 -2.977 6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.646 -4.837 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.892 -4.593 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.724 -4.023 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.196 -2.926 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.331 -2.041 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.575 -1.289 5.407 1.00 0.00 H new ATOM 1529 N VAL A 96 1.737 0.248 5.789 1.00 0.00 N ATOM 1530 CA VAL A 96 0.587 1.059 5.414 1.00 0.00 C ATOM 1531 C VAL A 96 0.732 2.485 5.945 1.00 0.00 C ATOM 1532 O VAL A 96 0.482 3.454 5.228 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.730 0.444 5.936 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -1.927 1.289 5.529 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -0.892 -0.980 5.428 1.00 0.00 C ATOM 0 H VAL A 96 1.541 -0.465 6.492 1.00 0.00 H new ATOM 0 HA VAL A 96 0.550 1.085 4.325 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.683 0.424 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.841 0.833 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.822 2.292 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.977 1.349 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.825 -1.397 5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.911 -0.978 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.056 -1.587 5.775 1.00 0.00 H new ATOM 1545 N ASP A 97 1.165 2.606 7.194 1.00 0.00 N ATOM 1546 CA ASP A 97 1.291 3.909 7.841 1.00 0.00 C ATOM 1547 C ASP A 97 2.341 4.778 7.146 1.00 0.00 C ATOM 1548 O ASP A 97 2.134 5.978 6.947 1.00 0.00 O ATOM 1549 CB ASP A 97 1.655 3.727 9.316 1.00 0.00 C ATOM 1550 CG ASP A 97 1.681 5.037 10.081 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.616 5.464 10.580 1.00 0.00 O ATOM 1552 OD2 ASP A 97 2.763 5.649 10.190 1.00 0.00 O ATOM 0 H ASP A 97 1.436 1.817 7.781 1.00 0.00 H new ATOM 0 HA ASP A 97 0.330 4.417 7.765 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.936 3.053 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.632 3.250 9.388 1.00 0.00 H new ATOM 1557 N ALA A 98 3.457 4.167 6.762 1.00 0.00 N ATOM 1558 CA ALA A 98 4.536 4.890 6.096 1.00 0.00 C ATOM 1559 C ALA A 98 4.135 5.310 4.684 1.00 0.00 C ATOM 1560 O ALA A 98 4.410 6.433 4.259 1.00 0.00 O ATOM 1561 CB ALA A 98 5.797 4.043 6.058 1.00 0.00 C ATOM 0 H ALA A 98 3.638 3.173 6.900 1.00 0.00 H new ATOM 0 HA ALA A 98 4.736 5.795 6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.592 4.596 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.106 3.804 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.599 3.120 5.513 1.00 0.00 H new ATOM 1567 N SER A 99 3.468 4.413 3.967 1.00 0.00 N ATOM 1568 CA SER A 99 3.030 4.706 2.608 1.00 0.00 C ATOM 1569 C SER A 99 1.926 5.763 2.633 1.00 0.00 C ATOM 1570 O SER A 99 1.763 6.537 1.688 1.00 0.00 O ATOM 1571 CB SER A 99 2.542 3.431 1.913 1.00 0.00 C ATOM 1572 OG SER A 99 2.422 3.621 0.512 1.00 0.00 O ATOM 0 H SER A 99 3.220 3.482 4.302 1.00 0.00 H new ATOM 0 HA SER A 99 3.876 5.097 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.238 2.616 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.578 3.136 2.326 1.00 0.00 H new ATOM 0 HG SER A 99 1.869 2.907 0.131 1.00 0.00 H new ATOM 1578 N TYR A 100 1.175 5.799 3.726 1.00 0.00 N ATOM 1579 CA TYR A 100 0.159 6.824 3.915 1.00 0.00 C ATOM 1580 C TYR A 100 0.816 8.175 4.200 1.00 0.00 C ATOM 1581 O TYR A 100 0.341 9.215 3.744 1.00 0.00 O ATOM 1582 CB TYR A 100 -0.791 6.436 5.055 1.00 0.00 C ATOM 1583 CG TYR A 100 -1.798 7.510 5.402 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -2.782 7.891 4.495 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -1.761 8.146 6.635 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -3.697 8.878 4.810 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.675 9.131 6.958 1.00 0.00 C ATOM 1588 CZ TYR A 100 -3.639 9.494 6.042 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.544 10.479 6.361 1.00 0.00 O ATOM 0 H TYR A 100 1.251 5.131 4.493 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.424 6.908 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.324 5.527 4.778 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.203 6.202 5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -2.832 7.408 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.005 7.866 7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.453 9.165 4.095 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.634 9.614 7.923 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.366 10.348 5.844 1.00 0.00 H new ATOM 1599 N GLN A 101 1.919 8.145 4.943 1.00 0.00 N ATOM 1600 CA GLN A 101 2.648 9.360 5.298 1.00 0.00 C ATOM 1601 C GLN A 101 3.060 10.117 4.034 1.00 0.00 C ATOM 1602 O GLN A 101 2.735 11.295 3.871 1.00 0.00 O ATOM 1603 CB GLN A 101 3.888 9.002 6.134 1.00 0.00 C ATOM 1604 CG GLN A 101 4.356 10.092 7.099 1.00 0.00 C ATOM 1605 CD GLN A 101 4.758 11.386 6.413 1.00 0.00 C ATOM 1606 OE1 GLN A 101 5.905 11.557 5.998 1.00 0.00 O ATOM 1607 NE2 GLN A 101 3.821 12.316 6.310 1.00 0.00 N ATOM 0 H GLN A 101 2.330 7.288 5.313 1.00 0.00 H new ATOM 0 HA GLN A 101 1.997 10.003 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 101 3.673 8.100 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 101 4.707 8.762 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.557 10.302 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.204 9.717 7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.882 12.136 6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.038 13.212 5.874 1.00 0.00 H new ATOM 1616 N GLN A 102 3.748 9.423 3.128 1.00 0.00 N ATOM 1617 CA GLN A 102 4.225 10.037 1.890 1.00 0.00 C ATOM 1618 C GLN A 102 3.062 10.575 1.057 1.00 0.00 C ATOM 1619 O GLN A 102 3.196 11.590 0.377 1.00 0.00 O ATOM 1620 CB GLN A 102 5.053 9.042 1.063 1.00 0.00 C ATOM 1621 CG GLN A 102 4.319 7.758 0.720 1.00 0.00 C ATOM 1622 CD GLN A 102 5.071 6.889 -0.267 1.00 0.00 C ATOM 1623 OE1 GLN A 102 6.300 6.908 -0.326 1.00 0.00 O ATOM 1624 NE2 GLN A 102 4.333 6.113 -1.043 1.00 0.00 N ATOM 0 H GLN A 102 3.987 8.436 3.228 1.00 0.00 H new ATOM 0 HA GLN A 102 4.866 10.874 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.366 9.527 0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.959 8.793 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.144 7.191 1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.341 8.005 0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.316 6.129 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.780 5.499 -1.724 1.00 0.00 H new ATOM 1633 N ALA A 103 1.919 9.901 1.129 1.00 0.00 N ATOM 1634 CA ALA A 103 0.735 10.322 0.390 1.00 0.00 C ATOM 1635 C ALA A 103 0.231 11.669 0.890 1.00 0.00 C ATOM 1636 O ALA A 103 -0.130 12.537 0.097 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.361 9.273 0.498 1.00 0.00 C ATOM 0 H ALA A 103 1.788 9.061 1.692 1.00 0.00 H new ATOM 0 HA ALA A 103 1.012 10.431 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.237 9.604 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.003 8.329 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.629 9.133 1.545 1.00 0.00 H new ATOM 1643 N VAL A 104 0.221 11.840 2.210 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.230 13.089 2.826 1.00 0.00 C ATOM 1645 C VAL A 104 0.670 14.252 2.422 1.00 0.00 C ATOM 1646 O VAL A 104 0.199 15.371 2.210 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.259 12.985 4.370 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -0.741 14.284 4.996 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.137 11.830 4.813 1.00 0.00 C ATOM 0 H VAL A 104 0.521 11.128 2.876 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.243 13.271 2.467 1.00 0.00 H new ATOM 0 HB VAL A 104 0.759 12.799 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.752 14.183 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.070 15.095 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.748 14.507 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.144 11.775 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.153 11.986 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.746 10.898 4.405 1.00 0.00 H new ATOM 1659 N ASN A 105 1.963 13.975 2.294 1.00 0.00 N ATOM 1660 CA ASN A 105 2.938 15.003 1.926 1.00 0.00 C ATOM 1661 C ASN A 105 2.735 15.449 0.482 1.00 0.00 C ATOM 1662 O ASN A 105 3.248 16.487 0.062 1.00 0.00 O ATOM 1663 CB ASN A 105 4.372 14.487 2.104 1.00 0.00 C ATOM 1664 CG ASN A 105 4.682 14.050 3.522 1.00 0.00 C ATOM 1665 OD1 ASN A 105 4.117 14.562 4.491 1.00 0.00 O ATOM 1666 ND2 ASN A 105 5.598 13.101 3.651 1.00 0.00 N ATOM 0 H ASN A 105 2.363 13.048 2.439 1.00 0.00 H new ATOM 0 HA ASN A 105 2.783 15.855 2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.534 13.647 1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.071 15.270 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.860 12.768 4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.041 12.704 2.823 1.00 0.00 H new ATOM 1673 N LEU A 106 2.000 14.651 -0.278 1.00 0.00 N ATOM 1674 CA LEU A 106 1.729 14.952 -1.676 1.00 0.00 C ATOM 1675 C LEU A 106 0.360 15.612 -1.836 1.00 0.00 C ATOM 1676 O LEU A 106 0.004 16.073 -2.922 1.00 0.00 O ATOM 1677 CB LEU A 106 1.786 13.669 -2.508 1.00 0.00 C ATOM 1678 CG LEU A 106 3.144 12.963 -2.528 1.00 0.00 C ATOM 1679 CD1 LEU A 106 3.052 11.652 -3.296 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.212 13.865 -3.135 1.00 0.00 C ATOM 0 H LEU A 106 1.578 13.784 0.053 1.00 0.00 H new ATOM 0 HA LEU A 106 2.491 15.647 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.039 12.974 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.504 13.907 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 106 3.429 12.741 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.026 11.164 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.321 11.000 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.742 11.852 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.169 13.344 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.934 14.121 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.298 14.776 -2.543 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.401 15.662 -0.754 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.755 16.193 -0.801 1.00 0.00 C ATOM 1694 C LEU A 107 -1.753 17.713 -0.667 1.00 0.00 C ATOM 1695 O LEU A 107 -0.883 18.287 -0.008 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.609 15.562 0.299 1.00 0.00 C ATOM 1697 CG LEU A 107 -2.799 14.049 0.176 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -3.644 13.523 1.321 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.434 13.699 -1.161 1.00 0.00 C ATOM 0 H LEU A 107 -0.104 15.341 0.168 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.186 15.941 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.151 15.779 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.589 16.038 0.297 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.819 13.574 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.768 12.445 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.150 13.741 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.622 14.004 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.562 12.619 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.406 14.185 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.790 14.042 -1.971 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.728 18.380 -1.310 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.850 19.842 -1.283 1.00 0.00 C ATOM 1713 C PRO A 108 -3.087 20.390 0.124 1.00 0.00 C ATOM 1714 O PRO A 108 -3.483 19.654 1.035 1.00 0.00 O ATOM 1715 CB PRO A 108 -4.066 20.124 -2.175 1.00 0.00 C ATOM 1716 CG PRO A 108 -4.820 18.842 -2.224 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.788 17.756 -2.119 1.00 0.00 C ATOM 0 HA PRO A 108 -1.933 20.324 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.679 20.926 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.758 20.438 -3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.538 18.779 -1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.385 18.756 -3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.189 16.864 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.421 17.452 -3.099 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.864 21.692 0.277 1.00 0.00 N ATOM 1726 CA GLU A 109 -2.983 22.368 1.565 1.00 0.00 C ATOM 1727 C GLU A 109 -4.382 22.177 2.142 1.00 0.00 C ATOM 1728 O GLU A 109 -4.553 21.828 3.310 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.719 23.864 1.379 1.00 0.00 C ATOM 1730 CG GLU A 109 -2.451 24.612 2.674 1.00 0.00 C ATOM 1731 CD GLU A 109 -1.048 24.384 3.185 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -0.775 23.297 3.724 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -0.202 25.288 3.022 1.00 0.00 O ATOM 0 H GLU A 109 -2.595 22.309 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.254 21.940 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.864 23.991 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.578 24.315 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.609 25.679 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.168 24.293 3.431 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.368 22.391 1.283 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.773 22.356 1.656 1.00 0.00 C ATOM 1742 C GLU A 110 -7.160 20.997 2.249 1.00 0.00 C ATOM 1743 O GLU A 110 -7.823 20.927 3.286 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.599 22.677 0.410 1.00 0.00 C ATOM 1745 CG GLU A 110 -9.057 23.002 0.675 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.976 21.832 0.401 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -10.120 21.449 -0.783 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -10.573 21.305 1.358 1.00 0.00 O ATOM 0 H GLU A 110 -5.212 22.596 0.296 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.970 23.096 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.141 23.522 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.549 21.826 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.172 23.314 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.355 23.846 0.053 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.709 19.924 1.612 1.00 0.00 N ATOM 1756 CA LYS A 111 -7.078 18.576 2.038 1.00 0.00 C ATOM 1757 C LYS A 111 -6.357 18.164 3.314 1.00 0.00 C ATOM 1758 O LYS A 111 -6.921 17.456 4.146 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.821 17.555 0.929 1.00 0.00 C ATOM 1760 CG LYS A 111 -8.096 17.113 0.228 1.00 0.00 C ATOM 1761 CD LYS A 111 -8.772 18.271 -0.485 1.00 0.00 C ATOM 1762 CE LYS A 111 -10.220 17.957 -0.828 1.00 0.00 C ATOM 1763 NZ LYS A 111 -10.362 16.677 -1.569 1.00 0.00 N ATOM 0 H LYS A 111 -6.090 19.958 0.802 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.147 18.595 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.139 17.986 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.324 16.683 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.863 16.328 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.783 16.683 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.733 19.159 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.225 18.504 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.806 17.909 0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.633 18.768 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.335 16.589 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.697 16.663 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.154 15.882 -0.932 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.116 18.607 3.472 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.351 18.300 4.674 1.00 0.00 C ATOM 1779 C ARG A 112 -5.057 18.829 5.921 1.00 0.00 C ATOM 1780 O ARG A 112 -5.008 18.206 6.981 1.00 0.00 O ATOM 1781 CB ARG A 112 -2.939 18.876 4.575 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.047 18.140 3.588 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.656 18.747 3.533 1.00 0.00 C ATOM 1784 NE ARG A 112 0.021 18.704 4.831 1.00 0.00 N ATOM 1785 CZ ARG A 112 0.534 19.777 5.434 1.00 0.00 C ATOM 1786 NH1 ARG A 112 0.471 20.964 4.851 1.00 0.00 N ATOM 1787 NH2 ARG A 112 1.133 19.663 6.611 1.00 0.00 N ATOM 0 H ARG A 112 -4.620 19.177 2.787 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.278 17.216 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.003 19.924 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.475 18.849 5.561 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.976 17.090 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.498 18.171 2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.057 18.212 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.726 19.781 3.197 1.00 0.00 H new ATOM 0 HE ARG A 112 0.105 17.802 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.029 21.060 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.865 21.782 5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.204 18.750 7.061 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.523 20.488 7.067 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.734 19.965 5.780 1.00 0.00 N ATOM 1802 CA LYS A 113 -6.503 20.545 6.869 1.00 0.00 C ATOM 1803 C LYS A 113 -7.651 19.619 7.271 1.00 0.00 C ATOM 1804 O LYS A 113 -7.963 19.466 8.455 1.00 0.00 O ATOM 1805 CB LYS A 113 -7.063 21.897 6.432 1.00 0.00 C ATOM 1806 CG LYS A 113 -6.005 22.885 5.966 1.00 0.00 C ATOM 1807 CD LYS A 113 -5.106 23.335 7.106 1.00 0.00 C ATOM 1808 CE LYS A 113 -4.004 24.251 6.603 1.00 0.00 C ATOM 1809 NZ LYS A 113 -3.184 24.794 7.714 1.00 0.00 N ATOM 0 H LYS A 113 -5.763 20.503 4.914 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.847 20.678 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.778 21.738 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.614 22.336 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.399 22.426 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.491 23.754 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.700 23.854 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.666 22.464 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.363 23.702 5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.445 25.075 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.444 25.414 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.791 25.339 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.742 24.010 8.235 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.263 18.996 6.273 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.397 18.122 6.475 1.00 0.00 C ATOM 1825 C LEU A 114 -8.986 16.822 7.156 1.00 0.00 C ATOM 1826 O LEU A 114 -9.692 16.314 8.024 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.032 17.821 5.125 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.754 18.994 4.458 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.324 18.573 3.114 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.858 19.525 5.361 1.00 0.00 C ATOM 0 H LEU A 114 -7.981 19.087 5.297 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.113 18.624 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.255 17.464 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.743 17.005 5.252 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.031 19.793 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.834 19.419 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.515 18.240 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.033 17.757 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.360 20.359 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.579 18.732 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.426 19.865 6.302 1.00 0.00 H new ATOM 1842 N LEU A 115 -7.836 16.291 6.756 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.333 15.031 7.301 1.00 0.00 C ATOM 1844 C LEU A 115 -7.115 15.126 8.808 1.00 0.00 C ATOM 1845 O LEU A 115 -7.312 14.153 9.536 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.024 14.632 6.615 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.096 14.508 5.093 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -4.768 14.027 4.540 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.216 13.566 4.681 1.00 0.00 C ATOM 0 H LEU A 115 -7.230 16.714 6.053 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.086 14.267 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.261 15.369 6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.694 13.678 7.026 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.310 15.493 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.834 13.943 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.985 14.739 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.529 13.052 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.249 13.493 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.036 12.579 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.168 13.950 5.048 1.00 0.00 H new ATOM 1861 N VAL A 116 -6.708 16.300 9.273 1.00 0.00 N ATOM 1862 CA VAL A 116 -6.505 16.522 10.698 1.00 0.00 C ATOM 1863 C VAL A 116 -7.847 16.558 11.428 1.00 0.00 C ATOM 1864 O VAL A 116 -7.977 16.043 12.542 1.00 0.00 O ATOM 1865 CB VAL A 116 -5.737 17.837 10.956 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -5.519 18.064 12.444 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -4.413 17.826 10.223 1.00 0.00 C ATOM 0 H VAL A 116 -6.513 17.111 8.686 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.909 15.694 11.081 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.342 18.661 10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -4.976 18.997 12.594 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -6.484 18.120 12.949 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -4.941 17.237 12.857 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.883 18.759 10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.810 16.988 10.573 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.591 17.723 9.153 1.00 0.00 H new ATOM 1877 N GLN A 117 -8.838 17.154 10.776 1.00 0.00 N ATOM 1878 CA GLN A 117 -10.169 17.291 11.330 1.00 0.00 C ATOM 1879 C GLN A 117 -10.833 15.926 11.532 1.00 0.00 C ATOM 1880 O GLN A 117 -11.404 15.653 12.588 1.00 0.00 O ATOM 1881 CB GLN A 117 -10.990 18.145 10.370 1.00 0.00 C ATOM 1882 CG GLN A 117 -11.924 19.125 11.043 1.00 0.00 C ATOM 1883 CD GLN A 117 -13.121 18.464 11.698 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -14.159 18.272 11.068 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -12.989 18.128 12.970 1.00 0.00 N ATOM 0 H GLN A 117 -8.735 17.556 9.844 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.110 17.765 12.310 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.309 18.698 9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.576 17.487 9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.370 19.685 11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.275 19.846 10.305 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.110 18.305 13.456 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.766 17.692 13.466 1.00 0.00 H new ATOM 1894 N LEU A 118 -10.739 15.073 10.518 1.00 0.00 N ATOM 1895 CA LEU A 118 -11.418 13.785 10.533 1.00 0.00 C ATOM 1896 C LEU A 118 -10.659 12.771 11.386 1.00 0.00 C ATOM 1897 O LEU A 118 -9.816 12.035 10.835 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.576 13.257 9.104 1.00 0.00 C ATOM 1899 CG LEU A 118 -12.258 14.219 8.128 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -12.333 13.605 6.741 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.648 14.588 8.623 1.00 0.00 C ATOM 0 H LEU A 118 -10.197 15.252 9.673 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.404 13.927 10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.589 13.008 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.149 12.330 9.137 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.661 15.129 8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.821 14.303 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.326 13.392 6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.906 12.679 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.116 15.272 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.254 13.686 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.571 15.070 9.598 1.00 0.00 H new TER 1913 LEU A 118