USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 THR OG1 : rot -166:sc= 0.372 USER MOD Set 2.1: A 24 ASN : amide:sc= 1.36 K(o=2.6,f=1.2) USER MOD Set 2.2: A 79 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.17) USER MOD Single : A 1 GLU N :NH3+ -174:sc= 1.16 (180deg=1.13) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 0.975 K(o=0.97,f=-0.0046) USER MOD Single : A 19 ASN : amide:sc= 0.891 K(o=0.89,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.22) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.99 K(o=0.99,f=-0.005) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.502 K(o=0.5,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0993 K(o=-0.099,f=-2.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0.544) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= -0.0199 (180deg=-0.0676) USER MOD Single : A 74 HIS : no HE2:sc= 0.551 K(o=0.55,f=-5!) USER MOD Single : A 77 ASN : amide:sc= 1.22 K(o=1.2,f=-0.46) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 0.746 (180deg=0.691) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -158:sc= 0.159 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -12:sc= 0.0248 USER MOD Single : A 97 SER OG : rot -96:sc= 1.19 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0968 USER MOD Single : A 105 LYS NZ :NH3+ -140:sc= 1.2 (180deg=0.22) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -22.867 -11.027 7.109 1.00 0.00 N ATOM 2 CA GLU A 1 -21.447 -10.597 7.052 1.00 0.00 C ATOM 3 C GLU A 1 -20.673 -11.176 8.241 1.00 0.00 C ATOM 4 O GLU A 1 -20.863 -10.748 9.380 1.00 0.00 O ATOM 5 CB GLU A 1 -21.294 -9.063 6.989 1.00 0.00 C ATOM 6 CG GLU A 1 -21.980 -8.387 5.793 1.00 0.00 C ATOM 7 CD GLU A 1 -21.491 -8.950 4.450 1.00 0.00 C ATOM 8 OE1 GLU A 1 -22.021 -10.003 4.023 1.00 0.00 O ATOM 9 OE2 GLU A 1 -20.569 -8.363 3.835 1.00 0.00 O ATOM 0 H1 GLU A 1 -23.359 -10.715 6.248 1.00 0.00 H new ATOM 0 H2 GLU A 1 -22.913 -12.064 7.178 1.00 0.00 H new ATOM 0 H3 GLU A 1 -23.325 -10.604 7.942 1.00 0.00 H new ATOM 0 HA GLU A 1 -21.025 -10.988 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -21.696 -8.636 7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -20.232 -8.820 6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -23.059 -8.522 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.790 -7.314 5.826 1.00 0.00 H new ATOM 18 N GLU A 2 -19.818 -12.173 7.996 1.00 0.00 N ATOM 19 CA GLU A 2 -19.120 -12.955 9.036 1.00 0.00 C ATOM 20 C GLU A 2 -17.748 -13.469 8.551 1.00 0.00 C ATOM 21 O GLU A 2 -17.460 -14.670 8.520 1.00 0.00 O ATOM 22 CB GLU A 2 -20.032 -14.071 9.594 1.00 0.00 C ATOM 23 CG GLU A 2 -20.670 -15.005 8.547 1.00 0.00 C ATOM 24 CD GLU A 2 -22.117 -14.594 8.209 1.00 0.00 C ATOM 25 OE1 GLU A 2 -22.326 -13.767 7.288 1.00 0.00 O ATOM 26 OE2 GLU A 2 -23.064 -15.091 8.867 1.00 0.00 O ATOM 0 H GLU A 2 -19.582 -12.470 7.049 1.00 0.00 H new ATOM 0 HA GLU A 2 -18.900 -12.289 9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.449 -14.678 10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -20.830 -13.606 10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -20.069 -14.994 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.662 -16.028 8.922 1.00 0.00 H new ATOM 33 N LYS A 3 -16.911 -12.522 8.110 1.00 0.00 N ATOM 34 CA LYS A 3 -15.594 -12.755 7.493 1.00 0.00 C ATOM 35 C LYS A 3 -14.644 -13.555 8.400 1.00 0.00 C ATOM 36 O LYS A 3 -14.597 -13.341 9.615 1.00 0.00 O ATOM 37 CB LYS A 3 -14.931 -11.415 7.102 1.00 0.00 C ATOM 38 CG LYS A 3 -15.866 -10.377 6.445 1.00 0.00 C ATOM 39 CD LYS A 3 -16.300 -9.274 7.427 1.00 0.00 C ATOM 40 CE LYS A 3 -17.205 -8.254 6.724 1.00 0.00 C ATOM 41 NZ LYS A 3 -17.729 -7.236 7.677 1.00 0.00 N ATOM 0 H LYS A 3 -17.140 -11.530 8.175 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.774 -13.352 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.495 -10.971 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.109 -11.623 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.359 -9.923 5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.750 -10.883 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.829 -9.718 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.421 -8.772 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.646 -7.757 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.039 -8.772 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.336 -6.563 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.283 -7.708 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.934 -6.725 8.110 1.00 0.00 H new ATOM 55 N TYR A 4 -13.849 -14.435 7.793 1.00 0.00 N ATOM 56 CA TYR A 4 -12.765 -15.171 8.458 1.00 0.00 C ATOM 57 C TYR A 4 -11.562 -14.260 8.776 1.00 0.00 C ATOM 58 O TYR A 4 -11.431 -13.160 8.228 1.00 0.00 O ATOM 59 CB TYR A 4 -12.350 -16.360 7.576 1.00 0.00 C ATOM 60 CG TYR A 4 -13.484 -17.339 7.323 1.00 0.00 C ATOM 61 CD1 TYR A 4 -13.768 -18.346 8.268 1.00 0.00 C ATOM 62 CD2 TYR A 4 -14.291 -17.208 6.175 1.00 0.00 C ATOM 63 CE1 TYR A 4 -14.859 -19.216 8.071 1.00 0.00 C ATOM 64 CE2 TYR A 4 -15.393 -18.063 5.984 1.00 0.00 C ATOM 65 CZ TYR A 4 -15.679 -19.073 6.929 1.00 0.00 C ATOM 66 OH TYR A 4 -16.745 -19.898 6.736 1.00 0.00 O ATOM 0 H TYR A 4 -13.939 -14.664 6.803 1.00 0.00 H new ATOM 0 HA TYR A 4 -13.130 -15.543 9.416 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.982 -15.985 6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -11.523 -16.887 8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -13.147 -18.451 9.146 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -14.063 -16.450 5.440 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.068 -19.992 8.793 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -16.021 -17.946 5.113 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.198 -19.657 5.901 1.00 0.00 H new ATOM 76 N THR A 5 -10.670 -14.716 9.659 1.00 0.00 N ATOM 77 CA THR A 5 -9.423 -14.010 10.008 1.00 0.00 C ATOM 78 C THR A 5 -8.431 -13.949 8.835 1.00 0.00 C ATOM 79 O THR A 5 -8.492 -14.744 7.893 1.00 0.00 O ATOM 80 CB THR A 5 -8.740 -14.658 11.227 1.00 0.00 C ATOM 81 OG1 THR A 5 -8.535 -16.039 11.012 1.00 0.00 O ATOM 82 CG2 THR A 5 -9.584 -14.510 12.495 1.00 0.00 C ATOM 0 H THR A 5 -10.790 -15.596 10.161 1.00 0.00 H new ATOM 0 HA THR A 5 -9.712 -12.989 10.255 1.00 0.00 H new ATOM 0 HB THR A 5 -7.788 -14.143 11.356 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.099 -16.431 11.797 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.068 -14.980 13.332 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.736 -13.452 12.710 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.550 -14.992 12.347 1.00 0.00 H new ATOM 90 N THR A 6 -7.494 -12.996 8.885 1.00 0.00 N ATOM 91 CA THR A 6 -6.437 -12.809 7.876 1.00 0.00 C ATOM 92 C THR A 6 -5.418 -13.955 7.919 1.00 0.00 C ATOM 93 O THR A 6 -4.570 -13.993 8.811 1.00 0.00 O ATOM 94 CB THR A 6 -5.719 -11.461 8.088 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.671 -10.419 8.181 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.780 -11.110 6.931 1.00 0.00 C ATOM 0 H THR A 6 -7.445 -12.316 9.644 1.00 0.00 H new ATOM 0 HA THR A 6 -6.913 -12.809 6.895 1.00 0.00 H new ATOM 0 HB THR A 6 -5.137 -11.563 9.004 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.209 -9.565 8.317 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.300 -10.152 7.130 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.019 -11.884 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.352 -11.044 6.005 1.00 0.00 H new ATOM 104 N LYS A 7 -5.498 -14.904 6.974 1.00 0.00 N ATOM 105 CA LYS A 7 -4.519 -15.977 6.730 1.00 0.00 C ATOM 106 C LYS A 7 -4.787 -16.684 5.394 1.00 0.00 C ATOM 107 O LYS A 7 -5.880 -17.195 5.152 1.00 0.00 O ATOM 108 CB LYS A 7 -4.485 -16.992 7.900 1.00 0.00 C ATOM 109 CG LYS A 7 -5.768 -17.248 8.730 1.00 0.00 C ATOM 110 CD LYS A 7 -7.008 -17.716 7.954 1.00 0.00 C ATOM 111 CE LYS A 7 -6.810 -19.102 7.324 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.839 -19.371 6.290 1.00 0.00 N ATOM 0 H LYS A 7 -6.285 -14.947 6.327 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.535 -15.511 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.165 -17.950 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.709 -16.666 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.539 -17.996 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.023 -16.328 9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.866 -17.744 8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.239 -16.993 7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.817 -19.164 6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.860 -19.867 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.682 -20.314 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.784 -19.335 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.774 -18.653 5.540 1.00 0.00 H new ATOM 126 N TYR A 8 -3.772 -16.738 4.539 1.00 0.00 N ATOM 127 CA TYR A 8 -3.822 -17.388 3.225 1.00 0.00 C ATOM 128 C TYR A 8 -2.451 -18.007 2.923 1.00 0.00 C ATOM 129 O TYR A 8 -1.463 -17.284 2.832 1.00 0.00 O ATOM 130 CB TYR A 8 -4.219 -16.358 2.152 1.00 0.00 C ATOM 131 CG TYR A 8 -5.648 -15.843 2.262 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.943 -14.718 3.060 1.00 0.00 C ATOM 133 CD2 TYR A 8 -6.685 -16.503 1.574 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.268 -14.250 3.162 1.00 0.00 C ATOM 135 CE2 TYR A 8 -8.011 -16.037 1.671 1.00 0.00 C ATOM 136 CZ TYR A 8 -8.306 -14.907 2.466 1.00 0.00 C ATOM 137 OH TYR A 8 -9.584 -14.448 2.567 1.00 0.00 O ATOM 0 H TYR A 8 -2.864 -16.320 4.742 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.571 -18.180 3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.536 -15.510 2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.084 -16.808 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.151 -14.214 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.463 -17.370 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.490 -13.388 3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.802 -16.544 1.138 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.177 -15.010 2.027 1.00 0.00 H new ATOM 147 N ASP A 9 -2.384 -19.339 2.812 1.00 0.00 N ATOM 148 CA ASP A 9 -1.156 -20.132 2.598 1.00 0.00 C ATOM 149 C ASP A 9 0.051 -19.708 3.476 1.00 0.00 C ATOM 150 O ASP A 9 1.179 -19.556 3.000 1.00 0.00 O ATOM 151 CB ASP A 9 -0.853 -20.196 1.088 1.00 0.00 C ATOM 152 CG ASP A 9 0.209 -21.253 0.726 1.00 0.00 C ATOM 153 OD1 ASP A 9 0.179 -22.373 1.292 1.00 0.00 O ATOM 154 OD2 ASP A 9 1.045 -20.992 -0.174 1.00 0.00 O ATOM 0 H ASP A 9 -3.217 -19.924 2.871 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.345 -21.145 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.774 -20.416 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.512 -19.217 0.751 1.00 0.00 H new ATOM 159 N ASN A 10 -0.201 -19.498 4.779 1.00 0.00 N ATOM 160 CA ASN A 10 0.760 -19.009 5.782 1.00 0.00 C ATOM 161 C ASN A 10 1.428 -17.667 5.422 1.00 0.00 C ATOM 162 O ASN A 10 2.653 -17.535 5.351 1.00 0.00 O ATOM 163 CB ASN A 10 1.709 -20.155 6.197 1.00 0.00 C ATOM 164 CG ASN A 10 2.584 -19.816 7.397 1.00 0.00 C ATOM 165 OD1 ASN A 10 3.803 -19.741 7.318 1.00 0.00 O ATOM 166 ND2 ASN A 10 1.998 -19.622 8.559 1.00 0.00 N ATOM 0 H ASN A 10 -1.122 -19.673 5.180 1.00 0.00 H new ATOM 0 HA ASN A 10 0.211 -18.726 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.117 -21.041 6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.348 -20.410 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.559 -19.411 9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.983 -19.682 8.635 1.00 0.00 H new ATOM 173 N VAL A 11 0.579 -16.651 5.242 1.00 0.00 N ATOM 174 CA VAL A 11 0.952 -15.245 5.020 1.00 0.00 C ATOM 175 C VAL A 11 0.017 -14.332 5.815 1.00 0.00 C ATOM 176 O VAL A 11 -1.158 -14.654 6.008 1.00 0.00 O ATOM 177 CB VAL A 11 0.888 -14.876 3.519 1.00 0.00 C ATOM 178 CG1 VAL A 11 1.608 -13.549 3.271 1.00 0.00 C ATOM 179 CG2 VAL A 11 1.553 -15.911 2.607 1.00 0.00 C ATOM 0 H VAL A 11 -0.432 -16.789 5.247 1.00 0.00 H new ATOM 0 HA VAL A 11 1.979 -15.109 5.360 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.174 -14.823 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.556 -13.300 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.130 -12.761 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.652 -13.640 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.471 -15.588 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.605 -16.009 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.057 -16.874 2.727 1.00 0.00 H new ATOM 189 N ASN A 12 0.533 -13.191 6.274 1.00 0.00 N ATOM 190 CA ASN A 12 -0.206 -12.116 6.942 1.00 0.00 C ATOM 191 C ASN A 12 0.360 -10.742 6.558 1.00 0.00 C ATOM 192 O ASN A 12 1.506 -10.620 6.121 1.00 0.00 O ATOM 193 CB ASN A 12 -0.096 -12.271 8.474 1.00 0.00 C ATOM 194 CG ASN A 12 -1.331 -12.857 9.131 1.00 0.00 C ATOM 195 OD1 ASN A 12 -1.921 -12.265 10.024 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.791 -14.004 8.700 1.00 0.00 N ATOM 0 H ASN A 12 1.527 -12.980 6.186 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.247 -12.184 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.759 -12.906 8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.106 -11.294 8.913 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.638 -14.400 9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.303 -14.502 7.956 1.00 0.00 H new ATOM 203 N LEU A 13 -0.415 -9.696 6.844 1.00 0.00 N ATOM 204 CA LEU A 13 0.006 -8.300 6.734 1.00 0.00 C ATOM 205 C LEU A 13 1.290 -7.965 7.492 1.00 0.00 C ATOM 206 O LEU A 13 2.132 -7.243 6.972 1.00 0.00 O ATOM 207 CB LEU A 13 -1.128 -7.408 7.253 1.00 0.00 C ATOM 208 CG LEU A 13 -1.898 -6.764 6.103 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.092 -6.027 6.711 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.027 -5.751 5.364 1.00 0.00 C ATOM 0 H LEU A 13 -1.377 -9.799 7.167 1.00 0.00 H new ATOM 0 HA LEU A 13 0.223 -8.122 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.810 -8.001 7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.717 -6.631 7.898 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.210 -7.532 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.669 -5.552 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.724 -6.737 7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.735 -5.266 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.598 -5.306 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.712 -4.969 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.148 -6.253 4.959 1.00 0.00 H new ATOM 222 N ASP A 14 1.466 -8.492 8.702 1.00 0.00 N ATOM 223 CA ASP A 14 2.662 -8.199 9.495 1.00 0.00 C ATOM 224 C ASP A 14 3.959 -8.679 8.819 1.00 0.00 C ATOM 225 O ASP A 14 5.006 -8.061 8.998 1.00 0.00 O ATOM 226 CB ASP A 14 2.521 -8.796 10.896 1.00 0.00 C ATOM 227 CG ASP A 14 1.411 -8.123 11.725 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.241 -6.881 11.645 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.704 -8.839 12.472 1.00 0.00 O ATOM 0 H ASP A 14 0.802 -9.120 9.154 1.00 0.00 H new ATOM 0 HA ASP A 14 2.742 -7.115 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.309 -9.862 10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.470 -8.700 11.423 1.00 0.00 H new ATOM 234 N GLU A 15 3.895 -9.728 7.988 1.00 0.00 N ATOM 235 CA GLU A 15 5.005 -10.131 7.118 1.00 0.00 C ATOM 236 C GLU A 15 5.147 -9.203 5.894 1.00 0.00 C ATOM 237 O GLU A 15 6.266 -8.953 5.465 1.00 0.00 O ATOM 238 CB GLU A 15 4.818 -11.600 6.690 1.00 0.00 C ATOM 239 CG GLU A 15 6.014 -12.196 5.927 1.00 0.00 C ATOM 240 CD GLU A 15 7.321 -12.342 6.734 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.285 -12.435 7.985 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.403 -12.397 6.098 1.00 0.00 O ATOM 0 H GLU A 15 3.070 -10.321 7.901 1.00 0.00 H new ATOM 0 HA GLU A 15 5.933 -10.041 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.632 -12.204 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.929 -11.673 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.729 -13.179 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.214 -11.570 5.057 1.00 0.00 H new ATOM 249 N ILE A 16 4.053 -8.646 5.355 1.00 0.00 N ATOM 250 CA ILE A 16 4.061 -7.758 4.162 1.00 0.00 C ATOM 251 C ILE A 16 4.973 -6.551 4.376 1.00 0.00 C ATOM 252 O ILE A 16 5.979 -6.415 3.682 1.00 0.00 O ATOM 253 CB ILE A 16 2.612 -7.403 3.694 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.927 -8.652 3.096 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.513 -6.248 2.689 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.582 -9.158 1.792 1.00 0.00 C ATOM 0 H ILE A 16 3.118 -8.796 5.735 1.00 0.00 H new ATOM 0 HA ILE A 16 4.497 -8.304 3.326 1.00 0.00 H new ATOM 0 HB ILE A 16 2.104 -7.060 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.944 -9.453 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.880 -8.422 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.468 -6.081 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.925 -5.342 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.076 -6.499 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.046 -10.037 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.541 -8.374 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.622 -9.421 1.986 1.00 0.00 H new ATOM 268 N LEU A 17 4.713 -5.747 5.404 1.00 0.00 N ATOM 269 CA LEU A 17 5.523 -4.570 5.757 1.00 0.00 C ATOM 270 C LEU A 17 6.945 -4.965 6.185 1.00 0.00 C ATOM 271 O LEU A 17 7.902 -4.244 5.899 1.00 0.00 O ATOM 272 CB LEU A 17 4.869 -3.731 6.880 1.00 0.00 C ATOM 273 CG LEU A 17 3.703 -4.390 7.643 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.412 -3.653 8.938 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.421 -4.262 6.834 1.00 0.00 C ATOM 0 H LEU A 17 3.921 -5.892 6.030 1.00 0.00 H new ATOM 0 HA LEU A 17 5.579 -3.962 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.642 -3.466 7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.508 -2.800 6.443 1.00 0.00 H new ATOM 0 HG LEU A 17 3.992 -5.425 7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.585 -4.139 9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.298 -3.670 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.144 -2.620 8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.600 -4.729 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.196 -3.208 6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.547 -4.757 5.871 1.00 0.00 H new ATOM 287 N ALA A 18 7.081 -6.100 6.879 1.00 0.00 N ATOM 288 CA ALA A 18 8.366 -6.599 7.361 1.00 0.00 C ATOM 289 C ALA A 18 9.271 -7.165 6.240 1.00 0.00 C ATOM 290 O ALA A 18 10.482 -7.303 6.440 1.00 0.00 O ATOM 291 CB ALA A 18 8.104 -7.667 8.426 1.00 0.00 C ATOM 0 H ALA A 18 6.293 -6.701 7.122 1.00 0.00 H new ATOM 0 HA ALA A 18 8.912 -5.754 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.054 -8.051 8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.543 -7.228 9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.529 -8.483 7.989 1.00 0.00 H new ATOM 297 N ASN A 19 8.704 -7.493 5.072 1.00 0.00 N ATOM 298 CA ASN A 19 9.354 -8.225 3.987 1.00 0.00 C ATOM 299 C ASN A 19 9.280 -7.447 2.663 1.00 0.00 C ATOM 300 O ASN A 19 8.359 -7.613 1.860 1.00 0.00 O ATOM 301 CB ASN A 19 8.752 -9.633 3.866 1.00 0.00 C ATOM 302 CG ASN A 19 9.696 -10.593 3.171 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.338 -10.265 2.186 1.00 0.00 O ATOM 304 ND2 ASN A 19 9.833 -11.794 3.677 1.00 0.00 N ATOM 0 H ASN A 19 7.740 -7.243 4.852 1.00 0.00 H new ATOM 0 HA ASN A 19 10.413 -8.333 4.223 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.514 -10.013 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.815 -9.581 3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.478 -12.458 3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.295 -12.065 4.500 1.00 0.00 H new ATOM 311 N ASP A 20 10.280 -6.601 2.416 1.00 0.00 N ATOM 312 CA ASP A 20 10.423 -5.835 1.170 1.00 0.00 C ATOM 313 C ASP A 20 10.307 -6.709 -0.101 1.00 0.00 C ATOM 314 O ASP A 20 9.736 -6.248 -1.092 1.00 0.00 O ATOM 315 CB ASP A 20 11.754 -5.057 1.252 1.00 0.00 C ATOM 316 CG ASP A 20 12.301 -4.541 -0.089 1.00 0.00 C ATOM 317 OD1 ASP A 20 12.994 -5.312 -0.791 1.00 0.00 O ATOM 318 OD2 ASP A 20 12.078 -3.354 -0.430 1.00 0.00 O ATOM 0 H ASP A 20 11.029 -6.423 3.086 1.00 0.00 H new ATOM 0 HA ASP A 20 9.593 -5.135 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.618 -4.207 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.505 -5.703 1.707 1.00 0.00 H new ATOM 323 N ARG A 21 10.741 -7.982 -0.073 1.00 0.00 N ATOM 324 CA ARG A 21 10.606 -8.917 -1.212 1.00 0.00 C ATOM 325 C ARG A 21 9.144 -9.167 -1.598 1.00 0.00 C ATOM 326 O ARG A 21 8.827 -9.231 -2.787 1.00 0.00 O ATOM 327 CB ARG A 21 11.287 -10.272 -0.937 1.00 0.00 C ATOM 328 CG ARG A 21 12.695 -10.182 -0.329 1.00 0.00 C ATOM 329 CD ARG A 21 13.337 -11.573 -0.284 1.00 0.00 C ATOM 330 NE ARG A 21 14.696 -11.529 0.289 1.00 0.00 N ATOM 331 CZ ARG A 21 15.517 -12.554 0.444 1.00 0.00 C ATOM 332 NH1 ARG A 21 15.189 -13.766 0.092 1.00 0.00 N ATOM 333 NH2 ARG A 21 16.700 -12.379 0.960 1.00 0.00 N ATOM 0 H ARG A 21 11.197 -8.395 0.741 1.00 0.00 H new ATOM 0 HA ARG A 21 11.109 -8.426 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.654 -10.849 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.347 -10.828 -1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.313 -9.506 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.640 -9.765 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.714 -12.242 0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.380 -11.987 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 21 15.036 -10.618 0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.273 -13.948 -0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.849 -14.532 0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.998 -11.447 1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.328 -13.174 1.077 1.00 0.00 H new ATOM 347 N LEU A 22 8.254 -9.272 -0.606 1.00 0.00 N ATOM 348 CA LEU A 22 6.803 -9.326 -0.821 1.00 0.00 C ATOM 349 C LEU A 22 6.277 -7.951 -1.239 1.00 0.00 C ATOM 350 O LEU A 22 5.541 -7.838 -2.219 1.00 0.00 O ATOM 351 CB LEU A 22 6.060 -9.757 0.460 1.00 0.00 C ATOM 352 CG LEU A 22 6.538 -11.052 1.129 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.779 -11.284 2.430 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.292 -12.278 0.265 1.00 0.00 C ATOM 0 H LEU A 22 8.522 -9.322 0.377 1.00 0.00 H new ATOM 0 HA LEU A 22 6.621 -10.059 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.138 -8.949 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.003 -9.868 0.219 1.00 0.00 H new ATOM 0 HG LEU A 22 7.608 -10.926 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.127 -12.206 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.953 -10.448 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.712 -11.364 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.649 -13.167 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.224 -12.376 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.826 -12.171 -0.679 1.00 0.00 H new ATOM 366 N LEU A 23 6.678 -6.902 -0.512 1.00 0.00 N ATOM 367 CA LEU A 23 6.143 -5.552 -0.681 1.00 0.00 C ATOM 368 C LEU A 23 6.316 -5.053 -2.128 1.00 0.00 C ATOM 369 O LEU A 23 5.361 -4.572 -2.737 1.00 0.00 O ATOM 370 CB LEU A 23 6.785 -4.603 0.353 1.00 0.00 C ATOM 371 CG LEU A 23 5.869 -3.485 0.856 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.000 -2.859 -0.228 1.00 0.00 C ATOM 373 CD2 LEU A 23 5.037 -4.066 1.978 1.00 0.00 C ATOM 0 H LEU A 23 7.389 -6.970 0.216 1.00 0.00 H new ATOM 0 HA LEU A 23 5.069 -5.571 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.118 -5.192 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.673 -4.153 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 23 6.483 -2.656 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.381 -2.076 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.636 -2.429 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.360 -3.624 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.367 -3.300 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.450 -4.903 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.694 -4.414 2.776 1.00 0.00 H new ATOM 385 N ASN A 24 7.504 -5.246 -2.716 1.00 0.00 N ATOM 386 CA ASN A 24 7.809 -4.843 -4.096 1.00 0.00 C ATOM 387 C ASN A 24 6.863 -5.459 -5.136 1.00 0.00 C ATOM 388 O ASN A 24 6.566 -4.800 -6.128 1.00 0.00 O ATOM 389 CB ASN A 24 9.270 -5.162 -4.454 1.00 0.00 C ATOM 390 CG ASN A 24 10.216 -4.086 -3.953 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.659 -3.204 -4.675 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.522 -4.121 -2.685 1.00 0.00 N ATOM 0 H ASN A 24 8.290 -5.691 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 24 7.655 -3.765 -4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.550 -6.123 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.368 -5.258 -5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.135 -3.409 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.148 -4.860 -2.090 1.00 0.00 H new ATOM 399 N LYS A 25 6.351 -6.676 -4.909 1.00 0.00 N ATOM 400 CA LYS A 25 5.362 -7.328 -5.785 1.00 0.00 C ATOM 401 C LYS A 25 3.985 -6.661 -5.665 1.00 0.00 C ATOM 402 O LYS A 25 3.327 -6.395 -6.671 1.00 0.00 O ATOM 403 CB LYS A 25 5.298 -8.823 -5.420 1.00 0.00 C ATOM 404 CG LYS A 25 4.443 -9.660 -6.386 1.00 0.00 C ATOM 405 CD LYS A 25 4.209 -11.091 -5.872 1.00 0.00 C ATOM 406 CE LYS A 25 5.510 -11.884 -5.688 1.00 0.00 C ATOM 407 NZ LYS A 25 5.244 -13.267 -5.208 1.00 0.00 N ATOM 0 H LYS A 25 6.613 -7.244 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 25 5.668 -7.221 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.310 -9.227 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.896 -8.925 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.482 -9.169 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.934 -9.702 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.680 -11.047 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.563 -11.621 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.050 -11.924 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.154 -11.368 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.145 -13.774 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.751 -13.228 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.650 -13.767 -5.900 1.00 0.00 H new ATOM 421 N TYR A 26 3.575 -6.345 -4.435 1.00 0.00 N ATOM 422 CA TYR A 26 2.284 -5.723 -4.119 1.00 0.00 C ATOM 423 C TYR A 26 2.181 -4.299 -4.691 1.00 0.00 C ATOM 424 O TYR A 26 1.151 -3.941 -5.262 1.00 0.00 O ATOM 425 CB TYR A 26 2.060 -5.730 -2.594 1.00 0.00 C ATOM 426 CG TYR A 26 1.581 -7.049 -1.996 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.262 -8.260 -2.241 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.443 -7.058 -1.165 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.792 -9.470 -1.700 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.025 -8.262 -0.606 1.00 0.00 C ATOM 431 CZ TYR A 26 0.632 -9.477 -0.895 1.00 0.00 C ATOM 432 OH TYR A 26 0.154 -10.648 -0.395 1.00 0.00 O ATOM 0 H TYR A 26 4.146 -6.519 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 26 1.497 -6.310 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.995 -5.452 -2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.331 -4.957 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.154 -8.258 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.074 -6.133 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.317 -10.392 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.887 -8.256 0.044 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.649 -10.472 0.138 1.00 0.00 H new ATOM 442 N VAL A 27 3.252 -3.500 -4.609 1.00 0.00 N ATOM 443 CA VAL A 27 3.312 -2.142 -5.202 1.00 0.00 C ATOM 444 C VAL A 27 3.412 -2.155 -6.723 1.00 0.00 C ATOM 445 O VAL A 27 2.787 -1.324 -7.378 1.00 0.00 O ATOM 446 CB VAL A 27 4.445 -1.285 -4.601 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.199 -1.080 -3.109 1.00 0.00 C ATOM 448 CG2 VAL A 27 5.825 -1.912 -4.790 1.00 0.00 C ATOM 0 H VAL A 27 4.110 -3.771 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 27 2.360 -1.680 -4.941 1.00 0.00 H new ATOM 0 HB VAL A 27 4.436 -0.333 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.001 -0.474 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.246 -0.571 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.174 -2.048 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.582 -1.265 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.851 -2.887 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.027 -2.032 -5.854 1.00 0.00 H new ATOM 458 N GLN A 28 4.102 -3.134 -7.315 1.00 0.00 N ATOM 459 CA GLN A 28 4.199 -3.309 -8.775 1.00 0.00 C ATOM 460 C GLN A 28 2.831 -3.316 -9.478 1.00 0.00 C ATOM 461 O GLN A 28 2.729 -2.898 -10.629 1.00 0.00 O ATOM 462 CB GLN A 28 4.931 -4.623 -9.076 1.00 0.00 C ATOM 463 CG GLN A 28 5.909 -4.509 -10.253 1.00 0.00 C ATOM 464 CD GLN A 28 6.694 -5.797 -10.517 1.00 0.00 C ATOM 465 OE1 GLN A 28 6.523 -6.829 -9.881 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.599 -5.786 -11.474 1.00 0.00 N ATOM 0 H GLN A 28 4.618 -3.840 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 28 4.750 -2.453 -9.164 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.476 -4.940 -8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.198 -5.399 -9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.355 -4.239 -11.152 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.611 -3.698 -10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.758 -4.937 -12.016 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.141 -6.627 -11.673 1.00 0.00 H new ATOM 475 N CYS A 29 1.782 -3.730 -8.759 1.00 0.00 N ATOM 476 CA CYS A 29 0.382 -3.713 -9.178 1.00 0.00 C ATOM 477 C CYS A 29 -0.131 -2.359 -9.712 1.00 0.00 C ATOM 478 O CYS A 29 -1.040 -2.336 -10.545 1.00 0.00 O ATOM 479 CB CYS A 29 -0.450 -4.177 -7.976 1.00 0.00 C ATOM 480 SG CYS A 29 -2.211 -4.465 -8.262 1.00 0.00 S ATOM 0 H CYS A 29 1.897 -4.106 -7.818 1.00 0.00 H new ATOM 0 HA CYS A 29 0.284 -4.379 -10.035 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.013 -5.101 -7.597 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.352 -3.431 -7.187 1.00 0.00 H new ATOM 485 N LEU A 30 0.471 -1.243 -9.278 1.00 0.00 N ATOM 486 CA LEU A 30 0.199 0.103 -9.801 1.00 0.00 C ATOM 487 C LEU A 30 1.461 0.892 -10.220 1.00 0.00 C ATOM 488 O LEU A 30 1.344 1.915 -10.900 1.00 0.00 O ATOM 489 CB LEU A 30 -0.746 0.885 -8.854 1.00 0.00 C ATOM 490 CG LEU A 30 -0.348 1.166 -7.387 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.532 -0.041 -6.464 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.083 1.664 -7.231 1.00 0.00 C ATOM 0 H LEU A 30 1.174 -1.251 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.331 -0.031 -10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.941 1.850 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.693 0.345 -8.830 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.037 1.956 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.234 0.227 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.579 -0.344 -6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.086 -0.867 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.294 1.841 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.773 0.915 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.207 2.594 -7.786 1.00 0.00 H new ATOM 504 N LEU A 31 2.660 0.420 -9.847 1.00 0.00 N ATOM 505 CA LEU A 31 3.953 0.988 -10.247 1.00 0.00 C ATOM 506 C LEU A 31 4.265 0.666 -11.722 1.00 0.00 C ATOM 507 O LEU A 31 4.642 1.564 -12.478 1.00 0.00 O ATOM 508 CB LEU A 31 5.031 0.522 -9.228 1.00 0.00 C ATOM 509 CG LEU A 31 6.379 -0.033 -9.731 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.259 1.032 -10.373 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.163 -0.615 -8.551 1.00 0.00 C ATOM 0 H LEU A 31 2.758 -0.393 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 31 3.935 2.077 -10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.251 1.370 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.576 -0.247 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 31 6.140 -0.787 -10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.193 0.580 -10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.740 1.466 -11.228 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.474 1.814 -9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.116 -1.008 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.344 0.167 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.587 -1.419 -8.093 1.00 0.00 H new ATOM 523 N GLU A 32 4.084 -0.586 -12.153 1.00 0.00 N ATOM 524 CA GLU A 32 4.344 -0.990 -13.542 1.00 0.00 C ATOM 525 C GLU A 32 3.225 -0.571 -14.516 1.00 0.00 C ATOM 526 O GLU A 32 2.110 -0.219 -14.119 1.00 0.00 O ATOM 527 CB GLU A 32 4.584 -2.513 -13.623 1.00 0.00 C ATOM 528 CG GLU A 32 6.077 -2.871 -13.591 1.00 0.00 C ATOM 529 CD GLU A 32 6.859 -2.413 -14.845 1.00 0.00 C ATOM 530 OE1 GLU A 32 6.249 -1.901 -15.815 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.104 -2.571 -14.858 1.00 0.00 O ATOM 0 H GLU A 32 3.756 -1.345 -11.555 1.00 0.00 H new ATOM 0 HA GLU A 32 5.244 -0.461 -13.856 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.077 -3.003 -12.791 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.140 -2.900 -14.540 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.530 -2.420 -12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.179 -3.951 -13.486 1.00 0.00 H new ATOM 538 N ASP A 33 3.518 -0.648 -15.817 1.00 0.00 N ATOM 539 CA ASP A 33 2.567 -0.371 -16.907 1.00 0.00 C ATOM 540 C ASP A 33 1.469 -1.449 -17.087 1.00 0.00 C ATOM 541 O ASP A 33 0.545 -1.255 -17.881 1.00 0.00 O ATOM 542 CB ASP A 33 3.345 -0.165 -18.218 1.00 0.00 C ATOM 543 CG ASP A 33 4.120 1.165 -18.234 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.478 2.243 -18.182 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.371 1.146 -18.337 1.00 0.00 O ATOM 0 H ASP A 33 4.444 -0.911 -16.154 1.00 0.00 H new ATOM 0 HA ASP A 33 2.031 0.537 -16.631 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.042 -0.991 -18.358 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.650 -0.188 -19.058 1.00 0.00 H new ATOM 550 N ASP A 34 1.527 -2.564 -16.347 1.00 0.00 N ATOM 551 CA ASP A 34 0.557 -3.669 -16.399 1.00 0.00 C ATOM 552 C ASP A 34 0.224 -4.223 -15.001 1.00 0.00 C ATOM 553 O ASP A 34 1.066 -4.272 -14.101 1.00 0.00 O ATOM 554 CB ASP A 34 1.093 -4.814 -17.273 1.00 0.00 C ATOM 555 CG ASP A 34 1.172 -4.447 -18.766 1.00 0.00 C ATOM 556 OD1 ASP A 34 0.114 -4.448 -19.441 1.00 0.00 O ATOM 557 OD2 ASP A 34 2.291 -4.208 -19.281 1.00 0.00 O ATOM 0 H ASP A 34 2.275 -2.728 -15.673 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.357 -3.261 -16.831 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.085 -5.098 -16.922 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.451 -5.686 -17.153 1.00 0.00 H new ATOM 562 N GLU A 35 -1.015 -4.699 -14.842 1.00 0.00 N ATOM 563 CA GLU A 35 -1.571 -5.230 -13.583 1.00 0.00 C ATOM 564 C GLU A 35 -1.361 -6.745 -13.388 1.00 0.00 C ATOM 565 O GLU A 35 -1.848 -7.342 -12.428 1.00 0.00 O ATOM 566 CB GLU A 35 -3.052 -4.826 -13.460 1.00 0.00 C ATOM 567 CG GLU A 35 -3.960 -5.445 -14.533 1.00 0.00 C ATOM 568 CD GLU A 35 -5.417 -4.973 -14.362 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.784 -3.909 -14.918 1.00 0.00 O ATOM 570 OE2 GLU A 35 -6.212 -5.665 -13.680 1.00 0.00 O ATOM 0 H GLU A 35 -1.686 -4.728 -15.610 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.006 -4.776 -12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.417 -5.120 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.128 -3.740 -13.517 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.598 -5.169 -15.524 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.916 -6.532 -14.469 1.00 0.00 H new ATOM 577 N SER A 36 -0.592 -7.381 -14.272 1.00 0.00 N ATOM 578 CA SER A 36 -0.240 -8.812 -14.202 1.00 0.00 C ATOM 579 C SER A 36 0.509 -9.206 -12.917 1.00 0.00 C ATOM 580 O SER A 36 0.525 -10.376 -12.535 1.00 0.00 O ATOM 581 CB SER A 36 0.633 -9.194 -15.401 1.00 0.00 C ATOM 582 OG SER A 36 0.007 -8.828 -16.624 1.00 0.00 O ATOM 0 H SER A 36 -0.183 -6.910 -15.079 1.00 0.00 H new ATOM 0 HA SER A 36 -1.188 -9.350 -14.208 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.602 -8.700 -15.322 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.821 -10.268 -15.391 1.00 0.00 H new ATOM 0 HG SER A 36 0.584 -9.080 -17.375 1.00 0.00 H new ATOM 588 N ASN A 37 1.137 -8.230 -12.250 1.00 0.00 N ATOM 589 CA ASN A 37 1.938 -8.417 -11.037 1.00 0.00 C ATOM 590 C ASN A 37 1.108 -8.537 -9.741 1.00 0.00 C ATOM 591 O ASN A 37 1.639 -8.964 -8.714 1.00 0.00 O ATOM 592 CB ASN A 37 2.916 -7.237 -10.927 1.00 0.00 C ATOM 593 CG ASN A 37 3.798 -7.078 -12.154 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.585 -7.946 -12.503 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.684 -5.979 -12.867 1.00 0.00 N ATOM 0 H ASN A 37 1.099 -7.256 -12.551 1.00 0.00 H new ATOM 0 HA ASN A 37 2.459 -9.369 -11.134 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.351 -6.318 -10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.547 -7.376 -10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.250 -5.854 -13.706 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.029 -5.251 -12.581 1.00 0.00 H new ATOM 602 N CYS A 38 -0.170 -8.142 -9.759 1.00 0.00 N ATOM 603 CA CYS A 38 -1.031 -8.131 -8.569 1.00 0.00 C ATOM 604 C CYS A 38 -1.287 -9.554 -8.023 1.00 0.00 C ATOM 605 O CYS A 38 -1.506 -10.491 -8.799 1.00 0.00 O ATOM 606 CB CYS A 38 -2.366 -7.460 -8.923 1.00 0.00 C ATOM 607 SG CYS A 38 -2.297 -5.843 -9.744 1.00 0.00 S ATOM 0 H CYS A 38 -0.640 -7.819 -10.605 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.520 -7.571 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.925 -8.140 -9.566 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.940 -7.346 -8.003 1.00 0.00 H new ATOM 612 N THR A 39 -1.320 -9.724 -6.694 1.00 0.00 N ATOM 613 CA THR A 39 -1.666 -11.002 -6.033 1.00 0.00 C ATOM 614 C THR A 39 -3.143 -11.041 -5.623 1.00 0.00 C ATOM 615 O THR A 39 -3.803 -10.001 -5.572 1.00 0.00 O ATOM 616 CB THR A 39 -0.788 -11.256 -4.797 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.008 -10.251 -3.839 1.00 0.00 O ATOM 618 CG2 THR A 39 0.704 -11.269 -5.124 1.00 0.00 C ATOM 0 H THR A 39 -1.106 -8.974 -6.036 1.00 0.00 H new ATOM 0 HA THR A 39 -1.481 -11.789 -6.764 1.00 0.00 H new ATOM 0 HB THR A 39 -1.069 -12.238 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.297 -10.280 -3.165 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.274 -11.453 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.911 -12.058 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.993 -10.306 -5.545 1.00 0.00 H new ATOM 626 N ALA A 40 -3.668 -12.232 -5.308 1.00 0.00 N ATOM 627 CA ALA A 40 -5.089 -12.470 -5.015 1.00 0.00 C ATOM 628 C ALA A 40 -5.687 -11.604 -3.883 1.00 0.00 C ATOM 629 O ALA A 40 -6.891 -11.340 -3.887 1.00 0.00 O ATOM 630 CB ALA A 40 -5.273 -13.965 -4.722 1.00 0.00 C ATOM 0 H ALA A 40 -3.103 -13.079 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.650 -12.163 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.321 -14.166 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.967 -14.547 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.661 -14.246 -3.865 1.00 0.00 H new ATOM 636 N ASP A 41 -4.861 -11.123 -2.946 1.00 0.00 N ATOM 637 CA ASP A 41 -5.258 -10.214 -1.859 1.00 0.00 C ATOM 638 C ASP A 41 -4.405 -8.931 -1.774 1.00 0.00 C ATOM 639 O ASP A 41 -4.870 -7.934 -1.220 1.00 0.00 O ATOM 640 CB ASP A 41 -5.310 -10.973 -0.524 1.00 0.00 C ATOM 641 CG ASP A 41 -3.920 -11.361 0.009 1.00 0.00 C ATOM 642 OD1 ASP A 41 -3.301 -12.298 -0.551 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.464 -10.743 0.999 1.00 0.00 O ATOM 0 H ASP A 41 -3.869 -11.361 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.261 -9.858 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.817 -10.356 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.908 -11.875 -0.650 1.00 0.00 H new ATOM 648 N GLY A 42 -3.234 -8.875 -2.419 1.00 0.00 N ATOM 649 CA GLY A 42 -2.508 -7.622 -2.660 1.00 0.00 C ATOM 650 C GLY A 42 -3.278 -6.665 -3.570 1.00 0.00 C ATOM 651 O GLY A 42 -3.313 -5.459 -3.315 1.00 0.00 O ATOM 0 H GLY A 42 -2.762 -9.700 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.310 -7.132 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.541 -7.847 -3.110 1.00 0.00 H new ATOM 655 N LYS A 43 -3.990 -7.210 -4.568 1.00 0.00 N ATOM 656 CA LYS A 43 -4.988 -6.474 -5.368 1.00 0.00 C ATOM 657 C LYS A 43 -6.109 -5.871 -4.534 1.00 0.00 C ATOM 658 O LYS A 43 -6.648 -4.831 -4.900 1.00 0.00 O ATOM 659 CB LYS A 43 -5.566 -7.366 -6.480 1.00 0.00 C ATOM 660 CG LYS A 43 -6.522 -8.463 -5.982 1.00 0.00 C ATOM 661 CD LYS A 43 -8.012 -8.126 -6.135 1.00 0.00 C ATOM 662 CE LYS A 43 -8.854 -9.306 -5.632 1.00 0.00 C ATOM 663 NZ LYS A 43 -10.289 -8.946 -5.517 1.00 0.00 N ATOM 0 H LYS A 43 -3.890 -8.186 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.453 -5.638 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.096 -6.737 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.742 -7.836 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.313 -9.384 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.313 -8.660 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.253 -7.226 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.244 -7.918 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.744 -10.149 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.481 -9.631 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.832 -9.777 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.400 -8.181 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.642 -8.627 -6.442 1.00 0.00 H new ATOM 677 N GLU A 44 -6.476 -6.515 -3.427 1.00 0.00 N ATOM 678 CA GLU A 44 -7.537 -6.034 -2.559 1.00 0.00 C ATOM 679 C GLU A 44 -6.997 -4.914 -1.657 1.00 0.00 C ATOM 680 O GLU A 44 -7.587 -3.835 -1.609 1.00 0.00 O ATOM 681 CB GLU A 44 -8.119 -7.212 -1.759 1.00 0.00 C ATOM 682 CG GLU A 44 -9.500 -6.894 -1.173 1.00 0.00 C ATOM 683 CD GLU A 44 -10.594 -6.655 -2.237 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.546 -7.273 -3.328 1.00 0.00 O ATOM 685 OE2 GLU A 44 -11.522 -5.852 -1.978 1.00 0.00 O ATOM 0 H GLU A 44 -6.044 -7.383 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.350 -5.609 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.194 -8.086 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.435 -7.472 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.808 -7.717 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.421 -6.008 -0.543 1.00 0.00 H new ATOM 692 N LEU A 45 -5.823 -5.126 -1.040 1.00 0.00 N ATOM 693 CA LEU A 45 -5.086 -4.135 -0.243 1.00 0.00 C ATOM 694 C LEU A 45 -4.861 -2.838 -1.032 1.00 0.00 C ATOM 695 O LEU A 45 -5.295 -1.773 -0.599 1.00 0.00 O ATOM 696 CB LEU A 45 -3.775 -4.784 0.266 1.00 0.00 C ATOM 697 CG LEU A 45 -2.779 -3.814 0.948 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.082 -4.446 2.160 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.678 -3.359 -0.016 1.00 0.00 C ATOM 0 H LEU A 45 -5.345 -6.026 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.673 -3.839 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.030 -5.573 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.274 -5.261 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.385 -2.966 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.395 -3.724 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.829 -4.735 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.527 -5.328 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.000 -2.680 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.122 -4.227 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.128 -2.846 -0.866 1.00 0.00 H new ATOM 711 N LYS A 46 -4.277 -2.906 -2.233 1.00 0.00 N ATOM 712 CA LYS A 46 -4.016 -1.709 -3.053 1.00 0.00 C ATOM 713 C LYS A 46 -5.289 -0.996 -3.519 1.00 0.00 C ATOM 714 O LYS A 46 -5.237 0.197 -3.804 1.00 0.00 O ATOM 715 CB LYS A 46 -3.082 -2.052 -4.231 1.00 0.00 C ATOM 716 CG LYS A 46 -3.776 -2.865 -5.334 1.00 0.00 C ATOM 717 CD LYS A 46 -4.279 -2.030 -6.525 1.00 0.00 C ATOM 718 CE LYS A 46 -5.251 -2.860 -7.377 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.732 -2.098 -8.561 1.00 0.00 N ATOM 0 H LYS A 46 -3.973 -3.779 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.509 -0.992 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.693 -1.128 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.227 -2.615 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.081 -3.619 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.621 -3.397 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.777 -1.130 -6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.435 -1.705 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.756 -3.773 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.103 -3.162 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.386 -2.690 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.226 -1.239 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.921 -1.832 -9.155 1.00 0.00 H new ATOM 733 N SER A 47 -6.409 -1.718 -3.620 1.00 0.00 N ATOM 734 CA SER A 47 -7.710 -1.181 -4.052 1.00 0.00 C ATOM 735 C SER A 47 -8.465 -0.478 -2.917 1.00 0.00 C ATOM 736 O SER A 47 -9.236 0.444 -3.178 1.00 0.00 O ATOM 737 CB SER A 47 -8.574 -2.296 -4.653 1.00 0.00 C ATOM 738 OG SER A 47 -9.703 -1.771 -5.335 1.00 0.00 O ATOM 0 H SER A 47 -6.441 -2.713 -3.400 1.00 0.00 H new ATOM 0 HA SER A 47 -7.506 -0.429 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.975 -2.890 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.906 -2.967 -3.861 1.00 0.00 H new ATOM 0 HG SER A 47 -10.232 -2.507 -5.707 1.00 0.00 H new ATOM 744 N VAL A 48 -8.215 -0.852 -1.654 1.00 0.00 N ATOM 745 CA VAL A 48 -8.749 -0.140 -0.479 1.00 0.00 C ATOM 746 C VAL A 48 -7.840 1.005 -0.001 1.00 0.00 C ATOM 747 O VAL A 48 -8.329 1.940 0.634 1.00 0.00 O ATOM 748 CB VAL A 48 -9.082 -1.120 0.661 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.846 -1.823 1.211 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.767 -0.421 1.832 1.00 0.00 C ATOM 0 H VAL A 48 -7.636 -1.657 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.678 0.333 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.752 -1.854 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.140 -2.502 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.365 -2.389 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.149 -1.081 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.984 -1.149 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.110 0.353 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.697 0.033 1.491 1.00 0.00 H new ATOM 760 N ILE A 49 -6.542 0.998 -0.343 1.00 0.00 N ATOM 761 CA ILE A 49 -5.625 2.094 0.014 1.00 0.00 C ATOM 762 C ILE A 49 -6.183 3.469 -0.418 1.00 0.00 C ATOM 763 O ILE A 49 -6.221 4.369 0.422 1.00 0.00 O ATOM 764 CB ILE A 49 -4.178 1.877 -0.515 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.434 0.864 0.387 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.350 3.185 -0.572 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.033 0.454 -0.085 1.00 0.00 C ATOM 0 H ILE A 49 -6.102 0.243 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.557 2.086 1.102 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.276 1.499 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.350 1.290 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.045 -0.034 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.351 2.967 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.841 3.898 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.275 3.612 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.605 -0.258 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.102 -0.008 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.396 1.336 -0.142 1.00 0.00 H new ATOM 779 N PRO A 50 -6.654 3.663 -1.672 1.00 0.00 N ATOM 780 CA PRO A 50 -7.192 4.952 -2.107 1.00 0.00 C ATOM 781 C PRO A 50 -8.581 5.245 -1.509 1.00 0.00 C ATOM 782 O PRO A 50 -8.947 6.406 -1.341 1.00 0.00 O ATOM 783 CB PRO A 50 -7.251 4.873 -3.637 1.00 0.00 C ATOM 784 CG PRO A 50 -7.433 3.381 -3.909 1.00 0.00 C ATOM 785 CD PRO A 50 -6.642 2.726 -2.790 1.00 0.00 C ATOM 0 HA PRO A 50 -6.561 5.771 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.079 5.458 -4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.339 5.256 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.484 3.092 -3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.050 3.101 -4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.090 1.774 -2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.621 2.515 -3.108 1.00 0.00 H new ATOM 793 N ASP A 51 -9.355 4.221 -1.128 1.00 0.00 N ATOM 794 CA ASP A 51 -10.640 4.383 -0.423 1.00 0.00 C ATOM 795 C ASP A 51 -10.465 5.011 0.969 1.00 0.00 C ATOM 796 O ASP A 51 -11.307 5.801 1.402 1.00 0.00 O ATOM 797 CB ASP A 51 -11.370 3.033 -0.312 1.00 0.00 C ATOM 798 CG ASP A 51 -12.485 2.884 -1.356 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.202 2.920 -2.576 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.655 2.728 -0.937 1.00 0.00 O ATOM 0 H ASP A 51 -9.108 3.247 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.246 5.069 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.651 2.223 -0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.795 2.934 0.687 1.00 0.00 H new ATOM 805 N ALA A 52 -9.337 4.755 1.641 1.00 0.00 N ATOM 806 CA ALA A 52 -8.952 5.457 2.868 1.00 0.00 C ATOM 807 C ALA A 52 -8.688 6.969 2.662 1.00 0.00 C ATOM 808 O ALA A 52 -8.599 7.716 3.638 1.00 0.00 O ATOM 809 CB ALA A 52 -7.749 4.742 3.493 1.00 0.00 C ATOM 0 H ALA A 52 -8.662 4.050 1.346 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.797 5.420 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.454 5.257 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.019 3.712 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.917 4.747 2.789 1.00 0.00 H new ATOM 815 N LEU A 53 -8.618 7.428 1.406 1.00 0.00 N ATOM 816 CA LEU A 53 -8.395 8.822 0.993 1.00 0.00 C ATOM 817 C LEU A 53 -9.649 9.443 0.331 1.00 0.00 C ATOM 818 O LEU A 53 -9.687 10.652 0.096 1.00 0.00 O ATOM 819 CB LEU A 53 -7.194 8.894 0.021 1.00 0.00 C ATOM 820 CG LEU A 53 -6.004 7.952 0.305 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.959 8.036 -0.807 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.316 8.252 1.634 1.00 0.00 C ATOM 0 H LEU A 53 -8.721 6.804 0.606 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.180 9.401 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.559 8.685 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.822 9.918 0.018 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.428 6.949 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.132 7.362 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.413 7.748 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.585 9.057 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.488 7.559 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.936 9.274 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.032 8.138 2.448 1.00 0.00 H new ATOM 834 N SER A 54 -10.674 8.626 0.044 1.00 0.00 N ATOM 835 CA SER A 54 -11.892 9.002 -0.701 1.00 0.00 C ATOM 836 C SER A 54 -13.166 8.946 0.158 1.00 0.00 C ATOM 837 O SER A 54 -14.082 9.750 -0.022 1.00 0.00 O ATOM 838 CB SER A 54 -12.048 8.055 -1.902 1.00 0.00 C ATOM 839 OG SER A 54 -12.878 8.623 -2.905 1.00 0.00 O ATOM 0 H SER A 54 -10.680 7.648 0.334 1.00 0.00 H new ATOM 0 HA SER A 54 -11.772 10.037 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.067 7.833 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.474 7.109 -1.568 1.00 0.00 H new ATOM 0 HG SER A 54 -12.957 7.999 -3.656 1.00 0.00 H new ATOM 845 N ASN A 55 -13.211 8.017 1.119 1.00 0.00 N ATOM 846 CA ASN A 55 -14.315 7.788 2.061 1.00 0.00 C ATOM 847 C ASN A 55 -13.794 7.302 3.431 1.00 0.00 C ATOM 848 O ASN A 55 -14.522 6.648 4.173 1.00 0.00 O ATOM 849 CB ASN A 55 -15.367 6.833 1.436 1.00 0.00 C ATOM 850 CG ASN A 55 -14.795 5.785 0.497 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.752 5.960 -0.712 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.329 4.673 1.010 1.00 0.00 N ATOM 0 H ASN A 55 -12.437 7.369 1.270 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.818 8.736 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.902 6.327 2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.100 7.428 0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.932 3.957 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.363 4.523 2.018 1.00 0.00 H new ATOM 859 N GLU A 56 -12.528 7.586 3.768 1.00 0.00 N ATOM 860 CA GLU A 56 -11.877 7.222 5.043 1.00 0.00 C ATOM 861 C GLU A 56 -12.036 5.732 5.430 1.00 0.00 C ATOM 862 O GLU A 56 -12.101 5.380 6.609 1.00 0.00 O ATOM 863 CB GLU A 56 -12.322 8.193 6.157 1.00 0.00 C ATOM 864 CG GLU A 56 -11.984 9.655 5.834 1.00 0.00 C ATOM 865 CD GLU A 56 -12.362 10.580 7.007 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.514 11.080 7.047 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.509 10.824 7.895 1.00 0.00 O ATOM 0 H GLU A 56 -11.904 8.093 3.141 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.802 7.335 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.397 8.097 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.841 7.911 7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.919 9.748 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.517 9.965 4.935 1.00 0.00 H new ATOM 874 N CYS A 57 -12.114 4.844 4.425 1.00 0.00 N ATOM 875 CA CYS A 57 -12.385 3.407 4.580 1.00 0.00 C ATOM 876 C CYS A 57 -13.712 3.109 5.328 1.00 0.00 C ATOM 877 O CYS A 57 -13.843 2.097 6.012 1.00 0.00 O ATOM 878 CB CYS A 57 -11.158 2.729 5.222 1.00 0.00 C ATOM 879 SG CYS A 57 -10.720 1.058 4.653 1.00 0.00 S ATOM 0 H CYS A 57 -11.986 5.117 3.451 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.541 2.976 3.591 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.295 3.375 5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.325 2.684 6.298 1.00 0.00 H new ATOM 884 N ALA A 58 -14.719 3.985 5.249 1.00 0.00 N ATOM 885 CA ALA A 58 -15.963 3.839 6.011 1.00 0.00 C ATOM 886 C ALA A 58 -16.809 2.610 5.621 1.00 0.00 C ATOM 887 O ALA A 58 -17.534 2.068 6.460 1.00 0.00 O ATOM 888 CB ALA A 58 -16.767 5.138 5.862 1.00 0.00 C ATOM 0 H ALA A 58 -14.695 4.814 4.656 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.695 3.661 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.699 5.055 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.184 5.973 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.989 5.309 4.809 1.00 0.00 H new ATOM 894 N LYS A 59 -16.695 2.140 4.369 1.00 0.00 N ATOM 895 CA LYS A 59 -17.357 0.915 3.873 1.00 0.00 C ATOM 896 C LYS A 59 -16.573 -0.384 4.153 1.00 0.00 C ATOM 897 O LYS A 59 -17.049 -1.472 3.827 1.00 0.00 O ATOM 898 CB LYS A 59 -17.654 1.067 2.365 1.00 0.00 C ATOM 899 CG LYS A 59 -18.482 2.309 1.983 1.00 0.00 C ATOM 900 CD LYS A 59 -19.836 2.391 2.705 1.00 0.00 C ATOM 901 CE LYS A 59 -20.637 3.594 2.189 1.00 0.00 C ATOM 902 NZ LYS A 59 -21.948 3.715 2.881 1.00 0.00 N ATOM 0 H LYS A 59 -16.131 2.606 3.658 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.287 0.811 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.707 1.101 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.184 0.178 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.904 3.205 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.653 2.304 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.400 1.472 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.679 2.483 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.060 4.507 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.799 3.491 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.463 4.538 2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.507 2.854 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.792 3.838 3.902 1.00 0.00 H new ATOM 916 N CYS A 60 -15.376 -0.284 4.731 1.00 0.00 N ATOM 917 CA CYS A 60 -14.457 -1.387 4.991 1.00 0.00 C ATOM 918 C CYS A 60 -14.839 -2.234 6.218 1.00 0.00 C ATOM 919 O CYS A 60 -15.588 -1.812 7.102 1.00 0.00 O ATOM 920 CB CYS A 60 -13.078 -0.773 5.244 1.00 0.00 C ATOM 921 SG CYS A 60 -12.402 0.194 3.874 1.00 0.00 S ATOM 0 H CYS A 60 -15.005 0.613 5.045 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.482 -2.054 4.129 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.139 -0.133 6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.379 -1.575 5.481 1.00 0.00 H new ATOM 926 N ASN A 61 -14.213 -3.407 6.305 1.00 0.00 N ATOM 927 CA ASN A 61 -14.073 -4.199 7.531 1.00 0.00 C ATOM 928 C ASN A 61 -12.865 -3.727 8.359 1.00 0.00 C ATOM 929 O ASN A 61 -11.875 -3.236 7.812 1.00 0.00 O ATOM 930 CB ASN A 61 -13.947 -5.697 7.177 1.00 0.00 C ATOM 931 CG ASN A 61 -12.824 -6.038 6.206 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.676 -5.450 5.147 1.00 0.00 O ATOM 933 ND2 ASN A 61 -12.003 -7.011 6.517 1.00 0.00 N ATOM 0 H ASN A 61 -13.774 -3.849 5.498 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.965 -4.057 8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.794 -6.261 8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.891 -6.034 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.252 -7.268 5.877 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.115 -7.511 7.399 1.00 0.00 H new ATOM 940 N GLU A 62 -12.916 -3.929 9.678 1.00 0.00 N ATOM 941 CA GLU A 62 -11.891 -3.463 10.629 1.00 0.00 C ATOM 942 C GLU A 62 -10.459 -3.927 10.304 1.00 0.00 C ATOM 943 O GLU A 62 -9.505 -3.185 10.548 1.00 0.00 O ATOM 944 CB GLU A 62 -12.294 -3.838 12.068 1.00 0.00 C ATOM 945 CG GLU A 62 -12.362 -5.348 12.342 1.00 0.00 C ATOM 946 CD GLU A 62 -12.852 -5.629 13.777 1.00 0.00 C ATOM 947 OE1 GLU A 62 -14.084 -5.595 14.020 1.00 0.00 O ATOM 948 OE2 GLU A 62 -12.012 -5.895 14.671 1.00 0.00 O ATOM 0 H GLU A 62 -13.683 -4.429 10.128 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.857 -2.378 10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.581 -3.389 12.759 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.268 -3.399 12.284 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.034 -5.821 11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.377 -5.792 12.197 1.00 0.00 H new ATOM 955 N LYS A 63 -10.300 -5.113 9.694 1.00 0.00 N ATOM 956 CA LYS A 63 -8.979 -5.636 9.299 1.00 0.00 C ATOM 957 C LYS A 63 -8.321 -4.788 8.208 1.00 0.00 C ATOM 958 O LYS A 63 -7.127 -4.505 8.292 1.00 0.00 O ATOM 959 CB LYS A 63 -9.081 -7.103 8.845 1.00 0.00 C ATOM 960 CG LYS A 63 -9.535 -8.099 9.928 1.00 0.00 C ATOM 961 CD LYS A 63 -8.662 -8.074 11.194 1.00 0.00 C ATOM 962 CE LYS A 63 -9.019 -9.247 12.117 1.00 0.00 C ATOM 963 NZ LYS A 63 -8.288 -9.165 13.410 1.00 0.00 N ATOM 0 H LYS A 63 -11.076 -5.733 9.462 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.343 -5.583 10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.778 -7.159 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.107 -7.418 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.566 -7.878 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.526 -9.106 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.609 -8.129 10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.805 -7.131 11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.093 -9.250 12.304 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.779 -10.188 11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.552 -9.972 14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.264 -9.187 13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.536 -8.278 13.894 1.00 0.00 H new ATOM 977 N GLN A 64 -9.096 -4.332 7.223 1.00 0.00 N ATOM 978 CA GLN A 64 -8.630 -3.386 6.199 1.00 0.00 C ATOM 979 C GLN A 64 -8.413 -1.983 6.779 1.00 0.00 C ATOM 980 O GLN A 64 -7.375 -1.378 6.518 1.00 0.00 O ATOM 981 CB GLN A 64 -9.632 -3.307 5.036 1.00 0.00 C ATOM 982 CG GLN A 64 -9.799 -4.612 4.245 1.00 0.00 C ATOM 983 CD GLN A 64 -8.651 -4.949 3.296 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.478 -4.706 3.539 1.00 0.00 O ATOM 985 NE2 GLN A 64 -8.961 -5.536 2.162 1.00 0.00 N ATOM 0 H GLN A 64 -10.071 -4.608 7.109 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.674 -3.759 5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.604 -3.010 5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.312 -2.521 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.918 -5.433 4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.721 -4.552 3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.936 -5.745 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.227 -5.783 1.498 1.00 0.00 H new ATOM 994 N LYS A 65 -9.352 -1.488 7.603 1.00 0.00 N ATOM 995 CA LYS A 65 -9.267 -0.167 8.265 1.00 0.00 C ATOM 996 C LYS A 65 -7.982 0.012 9.075 1.00 0.00 C ATOM 997 O LYS A 65 -7.303 1.025 8.926 1.00 0.00 O ATOM 998 CB LYS A 65 -10.483 0.091 9.175 1.00 0.00 C ATOM 999 CG LYS A 65 -11.797 0.197 8.390 1.00 0.00 C ATOM 1000 CD LYS A 65 -13.039 0.440 9.259 1.00 0.00 C ATOM 1001 CE LYS A 65 -12.981 1.793 9.980 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.225 2.058 10.751 1.00 0.00 N ATOM 0 H LYS A 65 -10.205 -1.998 7.834 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.259 0.564 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.564 -0.715 9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.324 1.012 9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.710 1.009 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.941 -0.722 7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.932 0.400 8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.129 -0.359 9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.124 1.810 10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.828 2.588 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.150 2.981 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.039 2.066 10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.357 1.312 11.464 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.626 -0.963 9.913 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.339 -0.964 10.624 1.00 0.00 C ATOM 1018 C GLU A 66 -5.167 -1.289 9.685 1.00 0.00 C ATOM 1019 O GLU A 66 -4.111 -0.661 9.781 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.363 -1.964 11.791 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.316 -1.525 12.912 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.138 -2.407 14.163 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -7.736 -3.508 14.235 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -6.395 -2.002 15.091 1.00 0.00 O ATOM 0 H GLU A 66 -8.214 -1.770 10.119 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.189 0.042 11.016 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.666 -2.944 11.422 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.356 -2.073 12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.127 -0.482 13.168 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.347 -1.586 12.563 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.362 -2.233 8.758 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.354 -2.710 7.811 1.00 0.00 C ATOM 1033 C GLY A 67 -3.769 -1.612 6.928 1.00 0.00 C ATOM 1034 O GLY A 67 -2.584 -1.310 7.035 1.00 0.00 O ATOM 0 H GLY A 67 -6.261 -2.702 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.545 -3.187 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.800 -3.475 7.176 1.00 0.00 H new ATOM 1038 N THR A 68 -4.558 -0.950 6.083 1.00 0.00 N ATOM 1039 CA THR A 68 -4.001 0.101 5.214 1.00 0.00 C ATOM 1040 C THR A 68 -3.463 1.286 6.016 1.00 0.00 C ATOM 1041 O THR A 68 -2.424 1.834 5.650 1.00 0.00 O ATOM 1042 CB THR A 68 -4.995 0.592 4.157 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.217 1.016 4.726 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.289 -0.528 3.167 1.00 0.00 C ATOM 0 H THR A 68 -5.560 -1.112 5.978 1.00 0.00 H new ATOM 0 HA THR A 68 -3.169 -0.370 4.691 1.00 0.00 H new ATOM 0 HB THR A 68 -4.534 1.444 3.658 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.820 1.322 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.996 -0.174 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.364 -0.833 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.717 -1.379 3.697 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.096 1.640 7.146 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.644 2.715 8.048 1.00 0.00 C ATOM 1054 C LYS A 69 -2.252 2.453 8.638 1.00 0.00 C ATOM 1055 O LYS A 69 -1.420 3.361 8.634 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.704 2.938 9.140 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.394 4.151 10.035 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.551 4.497 10.988 1.00 0.00 C ATOM 1059 CE LYS A 69 -5.905 3.395 12.001 1.00 0.00 C ATOM 1060 NZ LYS A 69 -4.840 3.197 13.022 1.00 0.00 N ATOM 0 H LYS A 69 -4.949 1.181 7.465 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.537 3.629 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.678 3.078 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.774 2.044 9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.497 3.947 10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.176 5.015 9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.294 5.404 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.437 4.723 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.839 3.651 12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.074 2.458 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.126 2.445 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.953 2.926 12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.695 4.082 13.549 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.959 1.226 9.098 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.599 0.850 9.534 1.00 0.00 C ATOM 1076 C LYS A 70 0.358 0.752 8.344 1.00 0.00 C ATOM 1077 O LYS A 70 1.470 1.269 8.402 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.602 -0.408 10.443 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.803 -1.771 9.751 1.00 0.00 C ATOM 1080 CD LYS A 70 -0.937 -2.996 10.671 1.00 0.00 C ATOM 1081 CE LYS A 70 0.296 -3.193 11.568 1.00 0.00 C ATOM 1082 NZ LYS A 70 0.205 -4.425 12.396 1.00 0.00 N ATOM 0 H LYS A 70 -2.644 0.475 9.179 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.214 1.652 10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.345 -0.438 10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.389 -0.286 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.698 -1.710 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.039 -1.940 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.823 -2.883 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.087 -3.888 10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.190 -3.242 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.409 -2.327 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.620 -4.245 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.793 -4.697 12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.724 -5.196 11.930 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.054 0.112 7.253 1.00 0.00 N ATOM 1097 CA VAL A 71 0.813 -0.188 6.095 1.00 0.00 C ATOM 1098 C VAL A 71 1.306 1.058 5.369 1.00 0.00 C ATOM 1099 O VAL A 71 2.501 1.137 5.098 1.00 0.00 O ATOM 1100 CB VAL A 71 0.099 -1.156 5.140 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.841 -1.381 3.814 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.051 -2.506 5.856 1.00 0.00 C ATOM 0 H VAL A 71 -1.011 -0.221 7.137 1.00 0.00 H new ATOM 0 HA VAL A 71 1.711 -0.669 6.483 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.862 -0.709 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.275 -2.076 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.947 -0.431 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.828 -1.796 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.556 -3.213 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.935 -2.892 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.638 -2.373 6.764 1.00 0.00 H new ATOM 1112 N LEU A 72 0.448 2.056 5.123 1.00 0.00 N ATOM 1113 CA LEU A 72 0.850 3.313 4.474 1.00 0.00 C ATOM 1114 C LEU A 72 2.028 3.985 5.186 1.00 0.00 C ATOM 1115 O LEU A 72 2.947 4.455 4.518 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.387 4.210 4.233 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.394 5.690 4.661 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.706 6.276 4.145 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.379 5.880 6.182 1.00 0.00 C ATOM 0 H LEU A 72 -0.542 2.017 5.367 1.00 0.00 H new ATOM 0 HA LEU A 72 1.251 3.097 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.593 4.187 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.230 3.731 4.731 1.00 0.00 H new ATOM 0 HG LEU A 72 0.500 6.169 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.767 7.329 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.745 6.182 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.544 5.736 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.385 6.945 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.260 5.408 6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.519 5.422 6.597 1.00 0.00 H new ATOM 1131 N LYS A 73 2.055 3.942 6.527 1.00 0.00 N ATOM 1132 CA LYS A 73 3.082 4.576 7.359 1.00 0.00 C ATOM 1133 C LYS A 73 4.435 3.871 7.231 1.00 0.00 C ATOM 1134 O LYS A 73 5.472 4.512 7.060 1.00 0.00 O ATOM 1135 CB LYS A 73 2.579 4.551 8.820 1.00 0.00 C ATOM 1136 CG LYS A 73 3.516 5.233 9.829 1.00 0.00 C ATOM 1137 CD LYS A 73 3.702 6.737 9.577 1.00 0.00 C ATOM 1138 CE LYS A 73 2.741 7.640 10.371 1.00 0.00 C ATOM 1139 NZ LYS A 73 1.298 7.386 10.101 1.00 0.00 N ATOM 0 H LYS A 73 1.345 3.453 7.073 1.00 0.00 H new ATOM 0 HA LYS A 73 3.243 5.602 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.604 5.036 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.433 3.514 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.121 5.088 10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.490 4.744 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.727 7.010 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.570 6.934 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.929 7.503 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.964 8.681 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.721 8.088 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.117 7.461 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.047 6.431 10.427 1.00 0.00 H new ATOM 1153 N HIS A 74 4.414 2.540 7.263 1.00 0.00 N ATOM 1154 CA HIS A 74 5.581 1.687 6.995 1.00 0.00 C ATOM 1155 C HIS A 74 6.091 1.885 5.569 1.00 0.00 C ATOM 1156 O HIS A 74 7.291 2.037 5.384 1.00 0.00 O ATOM 1157 CB HIS A 74 5.255 0.200 7.212 1.00 0.00 C ATOM 1158 CG HIS A 74 4.937 -0.178 8.634 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.690 -0.106 9.210 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.768 -0.800 9.528 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.732 -0.712 10.406 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.002 -1.111 10.641 1.00 0.00 N ATOM 0 H HIS A 74 3.571 2.009 7.480 1.00 0.00 H new ATOM 0 HA HIS A 74 6.357 1.984 7.700 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.406 -0.067 6.582 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.103 -0.396 6.874 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.869 0.335 8.796 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.819 -1.008 9.392 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.892 -0.857 11.070 1.00 0.00 H new ATOM 1171 N LEU A 75 5.209 1.923 4.572 1.00 0.00 N ATOM 1172 CA LEU A 75 5.598 2.072 3.167 1.00 0.00 C ATOM 1173 C LEU A 75 6.326 3.402 2.923 1.00 0.00 C ATOM 1174 O LEU A 75 7.383 3.403 2.304 1.00 0.00 O ATOM 1175 CB LEU A 75 4.348 1.964 2.268 1.00 0.00 C ATOM 1176 CG LEU A 75 4.227 0.637 1.502 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.374 -0.596 2.401 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.874 0.611 0.787 1.00 0.00 C ATOM 0 H LEU A 75 4.201 1.851 4.714 1.00 0.00 H new ATOM 0 HA LEU A 75 6.292 1.270 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.459 2.095 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.361 2.784 1.550 1.00 0.00 H new ATOM 0 HG LEU A 75 5.048 0.588 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.279 -1.499 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.353 -0.582 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.596 -0.585 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.771 -0.325 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.073 0.691 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.814 1.448 0.092 1.00 0.00 H new ATOM 1190 N ILE A 76 5.829 4.522 3.458 1.00 0.00 N ATOM 1191 CA ILE A 76 6.532 5.814 3.350 1.00 0.00 C ATOM 1192 C ILE A 76 7.874 5.817 4.110 1.00 0.00 C ATOM 1193 O ILE A 76 8.847 6.405 3.639 1.00 0.00 O ATOM 1194 CB ILE A 76 5.580 6.974 3.736 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.129 8.372 3.407 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.047 6.957 5.173 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.922 9.073 4.520 1.00 0.00 C ATOM 0 H ILE A 76 4.947 4.565 3.969 1.00 0.00 H new ATOM 0 HA ILE A 76 6.814 5.974 2.309 1.00 0.00 H new ATOM 0 HB ILE A 76 4.728 6.770 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.771 8.289 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.291 9.012 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.392 7.815 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.487 6.037 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.882 7.007 5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.256 10.049 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.285 9.201 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.788 8.467 4.787 1.00 0.00 H new ATOM 1209 N ASN A 77 7.970 5.100 5.239 1.00 0.00 N ATOM 1210 CA ASN A 77 9.214 4.937 6.012 1.00 0.00 C ATOM 1211 C ASN A 77 10.269 4.029 5.340 1.00 0.00 C ATOM 1212 O ASN A 77 11.465 4.318 5.412 1.00 0.00 O ATOM 1213 CB ASN A 77 8.865 4.384 7.409 1.00 0.00 C ATOM 1214 CG ASN A 77 8.609 5.496 8.408 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.471 5.831 9.206 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.451 6.116 8.374 1.00 0.00 N ATOM 0 H ASN A 77 7.175 4.609 5.648 1.00 0.00 H new ATOM 0 HA ASN A 77 9.672 5.924 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.982 3.749 7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.681 3.756 7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.265 6.885 9.018 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.738 5.828 7.704 1.00 0.00 H new ATOM 1223 N HIS A 78 9.837 2.932 4.708 1.00 0.00 N ATOM 1224 CA HIS A 78 10.697 1.810 4.269 1.00 0.00 C ATOM 1225 C HIS A 78 10.814 1.642 2.749 1.00 0.00 C ATOM 1226 O HIS A 78 11.778 1.048 2.265 1.00 0.00 O ATOM 1227 CB HIS A 78 10.165 0.506 4.883 1.00 0.00 C ATOM 1228 CG HIS A 78 10.347 0.418 6.379 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.549 0.240 7.041 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.358 0.490 7.322 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.297 0.210 8.366 1.00 0.00 C ATOM 1232 NE2 HIS A 78 9.970 0.364 8.559 1.00 0.00 N ATOM 0 H HIS A 78 8.854 2.789 4.478 1.00 0.00 H new ATOM 0 HA HIS A 78 11.702 2.047 4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.105 0.412 4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.671 -0.338 4.415 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.302 0.620 7.137 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.035 0.084 9.144 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.497 0.384 9.463 1.00 0.00 H new ATOM 1241 N LYS A 79 9.870 2.203 1.996 1.00 0.00 N ATOM 1242 CA LYS A 79 9.833 2.282 0.527 1.00 0.00 C ATOM 1243 C LYS A 79 9.583 3.723 0.059 1.00 0.00 C ATOM 1244 O LYS A 79 8.674 3.945 -0.731 1.00 0.00 O ATOM 1245 CB LYS A 79 8.781 1.283 -0.017 1.00 0.00 C ATOM 1246 CG LYS A 79 9.217 -0.187 -0.014 1.00 0.00 C ATOM 1247 CD LYS A 79 10.166 -0.529 -1.173 1.00 0.00 C ATOM 1248 CE LYS A 79 11.598 -0.008 -0.963 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.606 -0.889 -1.602 1.00 0.00 N ATOM 0 H LYS A 79 9.054 2.645 2.419 1.00 0.00 H new ATOM 0 HA LYS A 79 10.803 1.997 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.872 1.377 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.526 1.568 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.710 -0.413 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.334 -0.823 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.196 -1.611 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.766 -0.110 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.682 0.998 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.805 0.066 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.561 -0.551 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.487 -1.862 -1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.477 -0.872 -2.634 1.00 0.00 H new ATOM 1263 N PRO A 80 10.384 4.714 0.494 1.00 0.00 N ATOM 1264 CA PRO A 80 10.159 6.128 0.172 1.00 0.00 C ATOM 1265 C PRO A 80 10.210 6.405 -1.342 1.00 0.00 C ATOM 1266 O PRO A 80 9.383 7.146 -1.873 1.00 0.00 O ATOM 1267 CB PRO A 80 11.247 6.887 0.938 1.00 0.00 C ATOM 1268 CG PRO A 80 12.371 5.861 1.083 1.00 0.00 C ATOM 1269 CD PRO A 80 11.640 4.530 1.205 1.00 0.00 C ATOM 0 HA PRO A 80 9.160 6.449 0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.579 7.770 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.889 7.228 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.037 5.873 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.984 6.062 1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.224 3.719 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.466 4.271 2.249 1.00 0.00 H new ATOM 1277 N ASP A 81 11.141 5.756 -2.050 1.00 0.00 N ATOM 1278 CA ASP A 81 11.302 5.849 -3.510 1.00 0.00 C ATOM 1279 C ASP A 81 10.069 5.361 -4.296 1.00 0.00 C ATOM 1280 O ASP A 81 9.679 5.974 -5.290 1.00 0.00 O ATOM 1281 CB ASP A 81 12.522 5.019 -3.943 1.00 0.00 C ATOM 1282 CG ASP A 81 13.823 5.456 -3.255 1.00 0.00 C ATOM 1283 OD1 ASP A 81 14.094 4.966 -2.133 1.00 0.00 O ATOM 1284 OD2 ASP A 81 14.575 6.271 -3.836 1.00 0.00 O ATOM 0 H ASP A 81 11.822 5.135 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 81 11.435 6.906 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.336 3.968 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.644 5.100 -5.023 1.00 0.00 H new ATOM 1289 N VAL A 82 9.455 4.250 -3.865 1.00 0.00 N ATOM 1290 CA VAL A 82 8.240 3.690 -4.487 1.00 0.00 C ATOM 1291 C VAL A 82 6.972 4.379 -3.979 1.00 0.00 C ATOM 1292 O VAL A 82 6.071 4.664 -4.766 1.00 0.00 O ATOM 1293 CB VAL A 82 8.151 2.169 -4.288 1.00 0.00 C ATOM 1294 CG1 VAL A 82 6.877 1.620 -4.934 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.357 1.456 -4.916 1.00 0.00 C ATOM 0 H VAL A 82 9.788 3.708 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 82 8.317 3.884 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 82 8.139 1.983 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.829 0.541 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.006 2.089 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.888 1.838 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.266 0.381 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.387 1.666 -5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.275 1.814 -4.450 1.00 0.00 H new ATOM 1305 N TRP A 83 6.915 4.723 -2.690 1.00 0.00 N ATOM 1306 CA TRP A 83 5.848 5.536 -2.102 1.00 0.00 C ATOM 1307 C TRP A 83 5.596 6.820 -2.899 1.00 0.00 C ATOM 1308 O TRP A 83 4.446 7.101 -3.227 1.00 0.00 O ATOM 1309 CB TRP A 83 6.197 5.871 -0.648 1.00 0.00 C ATOM 1310 CG TRP A 83 5.389 6.996 -0.088 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.834 8.258 0.110 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.961 7.028 0.196 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.788 9.060 0.520 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.605 8.357 0.575 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.928 6.071 0.131 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.287 8.721 0.869 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.593 6.434 0.383 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.274 7.758 0.732 1.00 0.00 C ATOM 0 H TRP A 83 7.623 4.439 -2.013 1.00 0.00 H new ATOM 0 HA TRP A 83 4.928 4.953 -2.134 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.047 4.984 -0.032 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.255 6.127 -0.586 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.853 8.588 -0.031 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.880 10.049 0.753 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.165 5.046 -0.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.053 9.724 1.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.810 5.693 0.308 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.243 8.036 0.896 1.00 0.00 H new ATOM 1329 N ALA A 84 6.647 7.546 -3.299 1.00 0.00 N ATOM 1330 CA ALA A 84 6.543 8.739 -4.145 1.00 0.00 C ATOM 1331 C ALA A 84 5.736 8.508 -5.441 1.00 0.00 C ATOM 1332 O ALA A 84 5.086 9.444 -5.910 1.00 0.00 O ATOM 1333 CB ALA A 84 7.964 9.230 -4.445 1.00 0.00 C ATOM 0 H ALA A 84 7.607 7.317 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 84 5.981 9.500 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.917 10.119 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.470 9.474 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.517 8.447 -4.964 1.00 0.00 H new ATOM 1339 N GLN A 85 5.729 7.286 -5.985 1.00 0.00 N ATOM 1340 CA GLN A 85 4.928 6.881 -7.151 1.00 0.00 C ATOM 1341 C GLN A 85 3.457 6.608 -6.787 1.00 0.00 C ATOM 1342 O GLN A 85 2.559 7.012 -7.530 1.00 0.00 O ATOM 1343 CB GLN A 85 5.546 5.636 -7.826 1.00 0.00 C ATOM 1344 CG GLN A 85 7.077 5.745 -7.940 1.00 0.00 C ATOM 1345 CD GLN A 85 7.703 4.802 -8.964 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.184 4.560 -10.046 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.858 4.241 -8.671 1.00 0.00 N ATOM 0 H GLN A 85 6.299 6.525 -5.615 1.00 0.00 H new ATOM 0 HA GLN A 85 4.941 7.717 -7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.287 4.746 -7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.116 5.511 -8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.337 6.770 -8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.517 5.544 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.305 4.432 -7.774 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.306 3.616 -9.341 1.00 0.00 H new ATOM 1356 N LEU A 86 3.209 5.985 -5.624 1.00 0.00 N ATOM 1357 CA LEU A 86 1.860 5.780 -5.057 1.00 0.00 C ATOM 1358 C LEU A 86 1.162 7.132 -4.895 1.00 0.00 C ATOM 1359 O LEU A 86 0.194 7.417 -5.598 1.00 0.00 O ATOM 1360 CB LEU A 86 1.960 5.044 -3.693 1.00 0.00 C ATOM 1361 CG LEU A 86 0.687 4.453 -3.047 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.342 5.505 -2.638 1.00 0.00 C ATOM 1363 CD2 LEU A 86 0.009 3.411 -3.930 1.00 0.00 C ATOM 0 H LEU A 86 3.951 5.602 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 86 1.272 5.161 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.672 4.228 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.394 5.742 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 86 1.053 3.971 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.207 5.014 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.103 6.186 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.657 6.067 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.879 3.030 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.279 3.868 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.700 2.589 -4.119 1.00 0.00 H new ATOM 1375 N LYS A 87 1.713 8.006 -4.042 1.00 0.00 N ATOM 1376 CA LYS A 87 1.143 9.327 -3.728 1.00 0.00 C ATOM 1377 C LYS A 87 0.991 10.238 -4.945 1.00 0.00 C ATOM 1378 O LYS A 87 0.095 11.068 -4.967 1.00 0.00 O ATOM 1379 CB LYS A 87 1.917 10.055 -2.617 1.00 0.00 C ATOM 1380 CG LYS A 87 3.441 9.939 -2.743 1.00 0.00 C ATOM 1381 CD LYS A 87 4.215 11.171 -2.283 1.00 0.00 C ATOM 1382 CE LYS A 87 4.260 12.278 -3.341 1.00 0.00 C ATOM 1383 NZ LYS A 87 5.166 11.998 -4.490 1.00 0.00 N ATOM 0 H LYS A 87 2.581 7.814 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 87 0.139 9.108 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.641 11.109 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.610 9.654 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.775 9.079 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.691 9.737 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.758 11.563 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.233 10.879 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.252 12.441 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.575 13.206 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.012 12.708 -5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.155 12.040 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.964 11.050 -4.868 1.00 0.00 H new ATOM 1397 N ALA A 88 1.834 10.096 -5.964 1.00 0.00 N ATOM 1398 CA ALA A 88 1.752 10.920 -7.173 1.00 0.00 C ATOM 1399 C ALA A 88 0.483 10.623 -7.990 1.00 0.00 C ATOM 1400 O ALA A 88 -0.228 11.546 -8.397 1.00 0.00 O ATOM 1401 CB ALA A 88 3.003 10.694 -8.023 1.00 0.00 C ATOM 0 H ALA A 88 2.590 9.412 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 88 1.695 11.965 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.946 11.305 -8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.887 10.973 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.068 9.642 -8.302 1.00 0.00 H new ATOM 1407 N LYS A 89 0.181 9.336 -8.204 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.027 8.885 -8.911 1.00 0.00 C ATOM 1409 C LYS A 89 -2.279 8.945 -8.024 1.00 0.00 C ATOM 1410 O LYS A 89 -3.365 9.252 -8.515 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.754 7.477 -9.470 1.00 0.00 C ATOM 1412 CG LYS A 89 -1.834 7.020 -10.466 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.422 5.775 -11.267 1.00 0.00 C ATOM 1414 CE LYS A 89 -0.303 6.088 -12.275 1.00 0.00 C ATOM 1415 NZ LYS A 89 0.053 4.899 -13.093 1.00 0.00 N ATOM 0 H LYS A 89 0.775 8.569 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.245 9.561 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.218 7.467 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.700 6.766 -8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.755 6.808 -9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.052 7.834 -11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.086 4.997 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.289 5.381 -11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.621 6.898 -12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.580 6.439 -11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.810 5.151 -13.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.381 4.134 -12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.783 4.579 -13.623 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.125 8.681 -6.724 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.226 8.616 -5.753 1.00 0.00 C ATOM 1431 C TYR A 90 -3.589 9.983 -5.140 1.00 0.00 C ATOM 1432 O TYR A 90 -4.705 10.142 -4.647 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.884 7.598 -4.646 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.090 6.123 -4.985 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -2.964 5.615 -6.299 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.377 5.232 -3.934 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.136 4.241 -6.556 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.517 3.853 -4.185 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.421 3.352 -5.499 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.606 2.028 -5.753 1.00 0.00 O ATOM 0 H TYR A 90 -1.212 8.502 -6.306 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.111 8.290 -6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.841 7.740 -4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.487 7.833 -3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.734 6.287 -7.113 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.491 5.608 -2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.049 3.867 -7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.699 3.175 -3.365 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.124 1.624 -5.025 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.687 10.971 -5.179 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.874 12.308 -4.597 1.00 0.00 C ATOM 1452 C ASP A 91 -2.077 13.388 -5.375 1.00 0.00 C ATOM 1453 O ASP A 91 -1.033 13.861 -4.906 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.507 12.297 -3.103 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.907 13.614 -2.401 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.497 14.517 -3.044 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.591 13.763 -1.199 1.00 0.00 O ATOM 0 H ASP A 91 -1.779 10.860 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.928 12.572 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.004 11.459 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.434 12.139 -2.994 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.532 13.789 -6.578 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.784 14.670 -7.486 1.00 0.00 C ATOM 1464 C PRO A 92 -1.544 16.106 -6.968 1.00 0.00 C ATOM 1465 O PRO A 92 -0.791 16.857 -7.591 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.577 14.661 -8.799 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.004 14.364 -8.346 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.793 13.393 -7.188 1.00 0.00 C ATOM 0 HA PRO A 92 -0.768 14.292 -7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.510 15.618 -9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.207 13.901 -9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.524 15.267 -8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.598 13.919 -9.144 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.612 13.452 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.752 12.363 -7.541 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.132 16.490 -5.830 1.00 0.00 N ATOM 1477 CA ASP A 93 -1.919 17.779 -5.150 1.00 0.00 C ATOM 1478 C ASP A 93 -1.240 17.636 -3.767 1.00 0.00 C ATOM 1479 O ASP A 93 -0.878 18.638 -3.145 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.263 18.513 -5.034 1.00 0.00 C ATOM 1481 CG ASP A 93 -3.787 18.987 -6.399 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.255 19.990 -6.937 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -4.749 18.381 -6.932 1.00 0.00 O ATOM 0 H ASP A 93 -2.794 15.892 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.226 18.363 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.998 17.851 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.150 19.372 -4.372 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.040 16.404 -3.281 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.456 16.095 -1.965 1.00 0.00 C ATOM 1490 C GLY A 94 -1.329 16.474 -0.754 1.00 0.00 C ATOM 1491 O GLY A 94 -0.843 16.439 0.381 1.00 0.00 O ATOM 0 H GLY A 94 -1.287 15.567 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.246 15.026 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.500 16.612 -1.879 1.00 0.00 H new ATOM 1495 N THR A 95 -2.590 16.860 -0.975 1.00 0.00 N ATOM 1496 CA THR A 95 -3.507 17.473 0.005 1.00 0.00 C ATOM 1497 C THR A 95 -3.763 16.621 1.255 1.00 0.00 C ATOM 1498 O THR A 95 -4.002 17.176 2.331 1.00 0.00 O ATOM 1499 CB THR A 95 -4.850 17.811 -0.672 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.617 18.526 -1.870 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.763 18.694 0.182 1.00 0.00 C ATOM 0 H THR A 95 -3.027 16.749 -1.890 1.00 0.00 H new ATOM 0 HA THR A 95 -3.006 18.377 0.352 1.00 0.00 H new ATOM 0 HB THR A 95 -5.339 16.851 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.474 18.737 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.689 18.890 -0.359 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.991 18.184 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.261 19.637 0.396 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.668 15.292 1.153 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.852 14.357 2.274 1.00 0.00 C ATOM 1511 C TYR A 96 -2.672 13.390 2.452 1.00 0.00 C ATOM 1512 O TYR A 96 -2.439 12.942 3.574 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.200 13.625 2.177 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.614 13.270 0.769 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.071 12.136 0.143 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.474 14.132 0.063 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.388 11.867 -1.198 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.786 13.867 -1.281 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.245 12.728 -1.918 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.541 12.467 -3.221 1.00 0.00 O ATOM 0 H TYR A 96 -3.457 14.823 0.272 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.873 14.959 3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.148 12.711 2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.973 14.250 2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.414 11.475 0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.894 14.997 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -4.973 10.995 -1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.438 14.533 -1.826 1.00 0.00 H new ATOM 0 HH TYR A 96 -5.945 11.766 -3.558 1.00 0.00 H new ATOM 1530 N SER A 97 -1.858 13.155 1.418 1.00 0.00 N ATOM 1531 CA SER A 97 -0.569 12.452 1.508 1.00 0.00 C ATOM 1532 C SER A 97 0.336 13.081 2.575 1.00 0.00 C ATOM 1533 O SER A 97 0.871 12.392 3.450 1.00 0.00 O ATOM 1534 CB SER A 97 0.115 12.499 0.134 1.00 0.00 C ATOM 1535 OG SER A 97 1.399 11.909 0.154 1.00 0.00 O ATOM 0 H SER A 97 -2.081 13.455 0.469 1.00 0.00 H new ATOM 0 HA SER A 97 -0.748 11.418 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.508 11.984 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.199 13.536 -0.192 1.00 0.00 H new ATOM 0 HG SER A 97 2.077 12.606 0.276 1.00 0.00 H new ATOM 1541 N LYS A 98 0.437 14.421 2.574 1.00 0.00 N ATOM 1542 CA LYS A 98 1.277 15.188 3.507 1.00 0.00 C ATOM 1543 C LYS A 98 0.945 14.989 4.991 1.00 0.00 C ATOM 1544 O LYS A 98 1.834 15.180 5.819 1.00 0.00 O ATOM 1545 CB LYS A 98 1.275 16.678 3.125 1.00 0.00 C ATOM 1546 CG LYS A 98 2.156 16.930 1.891 1.00 0.00 C ATOM 1547 CD LYS A 98 2.187 18.418 1.523 1.00 0.00 C ATOM 1548 CE LYS A 98 3.138 18.645 0.340 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.242 20.086 -0.011 1.00 0.00 N ATOM 0 H LYS A 98 -0.071 15.010 1.914 1.00 0.00 H new ATOM 0 HA LYS A 98 2.283 14.783 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.255 17.004 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.638 17.273 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.170 16.581 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.778 16.352 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.184 18.758 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.513 19.007 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.126 18.258 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.784 18.084 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.893 20.202 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.303 20.449 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.604 20.617 0.807 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.273 14.557 5.348 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.689 14.300 6.746 1.00 0.00 C ATOM 1565 C LYS A 99 0.173 13.253 7.474 1.00 0.00 C ATOM 1566 O LYS A 99 0.236 13.271 8.704 1.00 0.00 O ATOM 1567 CB LYS A 99 -2.178 13.927 6.800 1.00 0.00 C ATOM 1568 CG LYS A 99 -3.058 15.084 6.290 1.00 0.00 C ATOM 1569 CD LYS A 99 -4.553 14.863 6.555 1.00 0.00 C ATOM 1570 CE LYS A 99 -4.848 14.968 8.058 1.00 0.00 C ATOM 1571 NZ LYS A 99 -6.303 14.862 8.343 1.00 0.00 N ATOM 0 H LYS A 99 -1.011 14.372 4.669 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.529 15.232 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.355 13.037 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.457 13.678 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.743 16.011 6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.899 15.209 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.139 15.603 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.854 13.883 6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.315 14.179 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.472 15.918 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.462 14.937 9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.809 15.630 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.657 13.945 8.004 1.00 0.00 H new ATOM 1585 N TYR A 100 0.858 12.381 6.731 1.00 0.00 N ATOM 1586 CA TYR A 100 1.758 11.339 7.254 1.00 0.00 C ATOM 1587 C TYR A 100 3.063 11.197 6.446 1.00 0.00 C ATOM 1588 O TYR A 100 4.063 10.748 7.001 1.00 0.00 O ATOM 1589 CB TYR A 100 0.997 10.007 7.355 1.00 0.00 C ATOM 1590 CG TYR A 100 0.140 9.738 6.141 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.702 9.135 5.005 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -1.178 10.234 6.098 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -0.034 9.084 3.815 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.918 10.173 4.907 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.343 9.606 3.750 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.066 9.500 2.602 1.00 0.00 O ATOM 0 H TYR A 100 0.803 12.377 5.713 1.00 0.00 H new ATOM 0 HA TYR A 100 2.076 11.646 8.250 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.711 9.193 7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.368 10.018 8.245 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.695 8.713 5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.621 10.663 6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.406 8.639 2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.926 10.559 4.876 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.946 9.911 2.731 1.00 0.00 H new ATOM 1606 N GLU A 101 3.119 11.641 5.185 1.00 0.00 N ATOM 1607 CA GLU A 101 4.376 11.811 4.436 1.00 0.00 C ATOM 1608 C GLU A 101 5.327 12.813 5.123 1.00 0.00 C ATOM 1609 O GLU A 101 6.533 12.564 5.225 1.00 0.00 O ATOM 1610 CB GLU A 101 4.029 12.258 3.008 1.00 0.00 C ATOM 1611 CG GLU A 101 5.222 12.519 2.079 1.00 0.00 C ATOM 1612 CD GLU A 101 4.806 13.146 0.728 1.00 0.00 C ATOM 1613 OE1 GLU A 101 3.611 13.470 0.519 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.697 13.314 -0.138 1.00 0.00 O ATOM 0 H GLU A 101 2.289 11.895 4.649 1.00 0.00 H new ATOM 0 HA GLU A 101 4.909 10.861 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.399 11.495 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.434 13.169 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.928 13.182 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.744 11.580 1.893 1.00 0.00 H new ATOM 1621 N ASP A 102 4.787 13.918 5.657 1.00 0.00 N ATOM 1622 CA ASP A 102 5.550 14.946 6.380 1.00 0.00 C ATOM 1623 C ASP A 102 6.250 14.419 7.648 1.00 0.00 C ATOM 1624 O ASP A 102 7.218 15.024 8.113 1.00 0.00 O ATOM 1625 CB ASP A 102 4.662 16.163 6.678 1.00 0.00 C ATOM 1626 CG ASP A 102 5.452 17.374 7.210 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.222 17.988 6.431 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.273 17.742 8.397 1.00 0.00 O ATOM 0 H ASP A 102 3.790 14.126 5.598 1.00 0.00 H new ATOM 0 HA ASP A 102 6.359 15.259 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.135 16.452 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.904 15.882 7.409 1.00 0.00 H new ATOM 1633 N ARG A 103 5.791 13.280 8.194 1.00 0.00 N ATOM 1634 CA ARG A 103 6.424 12.596 9.332 1.00 0.00 C ATOM 1635 C ARG A 103 7.888 12.225 9.072 1.00 0.00 C ATOM 1636 O ARG A 103 8.663 12.170 10.027 1.00 0.00 O ATOM 1637 CB ARG A 103 5.602 11.347 9.718 1.00 0.00 C ATOM 1638 CG ARG A 103 5.815 10.821 11.151 1.00 0.00 C ATOM 1639 CD ARG A 103 5.252 11.729 12.256 1.00 0.00 C ATOM 1640 NE ARG A 103 6.162 12.843 12.594 1.00 0.00 N ATOM 1641 CZ ARG A 103 5.833 14.003 13.136 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.606 14.298 13.462 1.00 0.00 N ATOM 1643 NH2 ARG A 103 6.746 14.904 13.362 1.00 0.00 N ATOM 0 H ARG A 103 4.957 12.802 7.851 1.00 0.00 H new ATOM 0 HA ARG A 103 6.433 13.299 10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.544 11.577 9.589 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.842 10.547 9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.352 9.838 11.236 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.883 10.686 11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.292 12.133 11.935 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.064 11.134 13.150 1.00 0.00 H new ATOM 0 HE ARG A 103 7.151 12.702 12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.859 13.622 13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.393 15.204 13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.719 14.716 13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.488 15.798 13.780 1.00 0.00 H new ATOM 1657 N GLU A 104 8.276 12.013 7.806 1.00 0.00 N ATOM 1658 CA GLU A 104 9.625 11.556 7.430 1.00 0.00 C ATOM 1659 C GLU A 104 10.305 12.434 6.363 1.00 0.00 C ATOM 1660 O GLU A 104 11.416 12.915 6.596 1.00 0.00 O ATOM 1661 CB GLU A 104 9.600 10.100 6.918 1.00 0.00 C ATOM 1662 CG GLU A 104 8.679 9.109 7.640 1.00 0.00 C ATOM 1663 CD GLU A 104 8.926 8.954 9.154 1.00 0.00 C ATOM 1664 OE1 GLU A 104 10.066 9.173 9.634 1.00 0.00 O ATOM 1665 OE2 GLU A 104 7.958 8.570 9.857 1.00 0.00 O ATOM 0 H GLU A 104 7.658 12.155 7.007 1.00 0.00 H new ATOM 0 HA GLU A 104 10.210 11.631 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.315 10.119 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.617 9.710 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.646 9.423 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.787 8.131 7.170 1.00 0.00 H new ATOM 1672 N LYS A 105 9.670 12.637 5.192 1.00 0.00 N ATOM 1673 CA LYS A 105 10.280 13.204 3.961 1.00 0.00 C ATOM 1674 C LYS A 105 11.675 12.639 3.598 1.00 0.00 C ATOM 1675 O LYS A 105 12.488 13.310 2.963 1.00 0.00 O ATOM 1676 CB LYS A 105 10.214 14.745 4.040 1.00 0.00 C ATOM 1677 CG LYS A 105 8.794 15.255 3.734 1.00 0.00 C ATOM 1678 CD LYS A 105 8.374 16.443 4.605 1.00 0.00 C ATOM 1679 CE LYS A 105 9.169 17.732 4.401 1.00 0.00 C ATOM 1680 NZ LYS A 105 8.759 18.734 5.420 1.00 0.00 N ATOM 0 H LYS A 105 8.685 12.405 5.067 1.00 0.00 H new ATOM 0 HA LYS A 105 9.688 12.872 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.516 15.075 5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.920 15.179 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.738 15.545 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.084 14.440 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.322 16.654 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.457 16.149 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.237 17.530 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.995 18.124 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.704 19.675 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.827 18.477 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.458 18.752 6.190 1.00 0.00 H new ATOM 1694 N GLU A 106 11.944 11.379 3.952 1.00 0.00 N ATOM 1695 CA GLU A 106 13.195 10.635 3.685 1.00 0.00 C ATOM 1696 C GLU A 106 13.314 10.155 2.216 1.00 0.00 C ATOM 1697 O GLU A 106 13.603 8.989 1.937 1.00 0.00 O ATOM 1698 CB GLU A 106 13.324 9.468 4.689 1.00 0.00 C ATOM 1699 CG GLU A 106 13.602 9.914 6.133 1.00 0.00 C ATOM 1700 CD GLU A 106 15.034 10.463 6.298 1.00 0.00 C ATOM 1701 OE1 GLU A 106 15.972 9.659 6.525 1.00 0.00 O ATOM 1702 OE2 GLU A 106 15.239 11.698 6.204 1.00 0.00 O ATOM 0 H GLU A 106 11.264 10.814 4.460 1.00 0.00 H new ATOM 0 HA GLU A 106 14.030 11.321 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.404 8.883 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.128 8.808 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.883 10.681 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.456 9.071 6.808 1.00 0.00 H new ATOM 1709 N LEU A 107 13.045 11.039 1.252 1.00 0.00 N ATOM 1710 CA LEU A 107 13.136 10.772 -0.187 1.00 0.00 C ATOM 1711 C LEU A 107 14.603 10.611 -0.646 1.00 0.00 C ATOM 1712 O LEU A 107 15.274 11.588 -0.996 1.00 0.00 O ATOM 1713 CB LEU A 107 12.389 11.872 -0.969 1.00 0.00 C ATOM 1714 CG LEU A 107 10.882 11.988 -0.661 1.00 0.00 C ATOM 1715 CD1 LEU A 107 10.273 13.106 -1.507 1.00 0.00 C ATOM 1716 CD2 LEU A 107 10.111 10.697 -0.954 1.00 0.00 C ATOM 0 H LEU A 107 12.748 11.993 1.458 1.00 0.00 H new ATOM 0 HA LEU A 107 12.651 9.820 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.862 12.831 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.512 11.685 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 107 10.797 12.199 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.208 13.188 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 107 10.765 14.050 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 107 10.411 12.879 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.057 10.841 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.215 10.443 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 107 10.512 9.887 -0.344 1.00 0.00 H new ATOM 1728 N HIS A 108 15.101 9.370 -0.620 1.00 0.00 N ATOM 1729 CA HIS A 108 16.413 8.956 -1.154 1.00 0.00 C ATOM 1730 C HIS A 108 16.556 9.182 -2.679 1.00 0.00 C ATOM 1731 O HIS A 108 15.602 9.562 -3.367 1.00 0.00 O ATOM 1732 CB HIS A 108 16.671 7.486 -0.756 1.00 0.00 C ATOM 1733 CG HIS A 108 17.038 7.317 0.700 1.00 0.00 C ATOM 1734 ND1 HIS A 108 18.320 7.359 1.226 1.00 0.00 N ATOM 1735 CD2 HIS A 108 16.175 7.097 1.737 1.00 0.00 C ATOM 1736 CE1 HIS A 108 18.232 7.172 2.559 1.00 0.00 C ATOM 1737 NE2 HIS A 108 16.935 7.013 2.892 1.00 0.00 N ATOM 0 H HIS A 108 14.584 8.592 -0.211 1.00 0.00 H new ATOM 0 HA HIS A 108 17.178 9.594 -0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 108 15.779 6.897 -0.969 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.474 7.085 -1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 108 15.101 7.006 1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 108 19.064 7.153 3.247 1.00 0.00 H new ATOM 0 HE2 HIS A 108 16.575 6.857 3.834 1.00 0.00 H new ATOM 1746 N GLN A 109 17.769 8.948 -3.197 1.00 0.00 N ATOM 1747 CA GLN A 109 18.181 9.127 -4.603 1.00 0.00 C ATOM 1748 C GLN A 109 19.104 7.996 -5.101 1.00 0.00 C ATOM 1749 O GLN A 109 19.132 7.755 -6.329 1.00 0.00 O ATOM 1750 CB GLN A 109 18.825 10.519 -4.783 1.00 0.00 C ATOM 1751 CG GLN A 109 20.123 10.724 -3.978 1.00 0.00 C ATOM 1752 CD GLN A 109 20.726 12.114 -4.206 1.00 0.00 C ATOM 1753 OE1 GLN A 109 20.377 13.093 -3.556 1.00 0.00 O ATOM 1754 NE2 GLN A 109 21.653 12.266 -5.132 1.00 0.00 N ATOM 1755 OXT GLN A 109 19.785 7.351 -4.270 1.00 0.00 O ATOM 0 H GLN A 109 18.536 8.609 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 109 17.288 9.070 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 109 19.038 10.674 -5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 109 18.104 11.281 -4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.917 10.588 -2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.850 9.963 -4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 109 21.958 11.465 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 109 22.065 13.185 -5.296 1.00 0.00 H new TER 1764 GLN A 109