USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 883 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 2 ASN : amide:sc= 0.237 K(o=0.17,f=-2.1!) USER MOD Set 1.2: A 7 ASN : amide:sc= -1.26 K(o=0.17,f=-6.9!) USER MOD Set 1.3: A 113 THR OG1 : rot -7:sc= 1.19 USER MOD Set 2.1: A 1 MET CE :methyl -152:sc= -0.0237 (180deg=-1.11) USER MOD Set 2.2: A 111 SER OG : rot 79:sc= 0.00808 USER MOD Set 3.1: A 61 LYS NZ :NH3+ -175:sc= 2.37 (180deg=2.25) USER MOD Set 3.2: A 73 CYS SG : rot -160:sc= -1.67! USER MOD Set 4.1: A 45 GLN : amide:sc= -0.416 X(o=-2.1,f=-2.3) USER MOD Set 4.2: A 47 SER OG : rot -99:sc= -1.67 USER MOD Set 5.1: A 34 MET CE :methyl -160:sc= -2.77 (180deg=-4.18!) USER MOD Set 5.2: A 54 LYS NZ :NH3+ 158:sc= -2.32! (180deg=-3.65!) USER MOD Set 5.3: A 58 HIS : no HD1:sc= -0.0072 K(o=-5.1,f=-7.8) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.3 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 8 GLN :FLIP amide:sc= -1.13 F(o=-5.2!,f=-1.1) USER MOD Single : A 9 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.6!) USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0.378) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0547 X(o=0.055,f=0) USER MOD Single : A 36 SER OG : rot 25:sc= -1.8! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -5:sc= -1.49 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot -23:sc= -3.18! USER MOD Single : A 57 SER OG : rot 99:sc= 0.21 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 137:sc= 1.29 (180deg=0.383) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc=-0.00954 (180deg=-0.0941) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 1.48 (180deg=1.4) USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.014 F(o=-1.9!,f=-0.014) USER MOD Single : A 89 GLN : amide:sc= 1.14 K(o=1.1,f=-6.8!) USER MOD Single : A 91 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.013) USER MOD Single : A 93 MET CE :methyl 139:sc= -0.0173 (180deg=-2.08!) USER MOD Single : A 95 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 96 SER OG : rot -70:sc= -0.156 USER MOD Single : A 98 MET CE :methyl 149:sc= -1.14 (180deg=-3.06!) USER MOD Single : A 103 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-3.8!) USER MOD Single : A 105 THR OG1 : rot 150:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN :FLIP amide:sc= -1.19 F(o=-2.9!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.318 2.940 10.002 1.00 0.00 N ATOM 2 CA MET A 1 0.852 2.951 9.925 1.00 0.00 C ATOM 3 C MET A 1 0.506 3.854 8.749 1.00 0.00 C ATOM 4 O MET A 1 1.422 4.326 8.077 1.00 0.00 O ATOM 5 CB MET A 1 0.293 3.504 11.255 1.00 0.00 C ATOM 6 CG MET A 1 -1.192 3.287 11.489 1.00 0.00 C ATOM 7 SD MET A 1 -1.622 1.539 11.561 1.00 0.00 S ATOM 8 CE MET A 1 -3.346 1.617 12.047 1.00 0.00 C ATOM 0 H1 MET A 1 2.664 1.964 9.902 1.00 0.00 H new ATOM 0 H2 MET A 1 2.710 3.526 9.238 1.00 0.00 H new ATOM 0 H3 MET A 1 2.620 3.322 10.921 1.00 0.00 H new ATOM 0 HA MET A 1 0.422 1.960 9.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.842 3.045 12.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.495 4.574 11.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.486 3.770 12.421 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.758 3.766 10.690 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.610 0.714 12.597 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.506 2.489 12.682 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.971 1.696 11.158 1.00 0.00 H new ATOM 18 N ASN A 2 -0.767 4.065 8.452 1.00 0.00 N ATOM 19 CA ASN A 2 -1.141 4.966 7.367 1.00 0.00 C ATOM 20 C ASN A 2 -1.147 6.393 7.894 1.00 0.00 C ATOM 21 O ASN A 2 -0.153 7.080 7.754 1.00 0.00 O ATOM 22 CB ASN A 2 -2.490 4.587 6.721 1.00 0.00 C ATOM 23 CG ASN A 2 -2.465 3.260 5.984 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.714 2.364 6.319 1.00 0.00 O ATOM 25 ND2 ASN A 2 -3.318 3.115 4.997 1.00 0.00 N ATOM 0 H ASN A 2 -1.552 3.632 8.939 1.00 0.00 H new ATOM 0 HA ASN A 2 -0.403 4.877 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.255 4.547 7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.783 5.373 6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.364 2.232 4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.935 3.885 4.739 1.00 0.00 H new ATOM 32 N THR A 3 -2.277 6.804 8.498 1.00 0.00 N ATOM 33 CA THR A 3 -2.472 8.046 9.266 1.00 0.00 C ATOM 34 C THR A 3 -3.680 8.905 8.840 1.00 0.00 C ATOM 35 O THR A 3 -4.235 8.801 7.712 1.00 0.00 O ATOM 36 CB THR A 3 -1.203 8.896 9.599 1.00 0.00 C ATOM 37 OG1 THR A 3 -1.445 9.634 10.806 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.901 9.899 8.497 1.00 0.00 C ATOM 0 H THR A 3 -3.129 6.244 8.460 1.00 0.00 H new ATOM 0 HA THR A 3 -2.738 7.620 10.233 1.00 0.00 H new ATOM 0 HB THR A 3 -0.358 8.215 9.704 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.655 10.170 11.026 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.013 10.473 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.726 9.369 7.561 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.748 10.575 8.378 1.00 0.00 H new ATOM 46 N ASP A 4 -4.081 9.736 9.779 1.00 0.00 N ATOM 47 CA ASP A 4 -5.234 10.614 9.721 1.00 0.00 C ATOM 48 C ASP A 4 -4.943 11.870 8.926 1.00 0.00 C ATOM 49 O ASP A 4 -4.662 12.924 9.482 1.00 0.00 O ATOM 50 CB ASP A 4 -5.676 11.009 11.133 1.00 0.00 C ATOM 51 CG ASP A 4 -5.973 9.821 12.006 1.00 0.00 C ATOM 52 OD1 ASP A 4 -5.039 9.300 12.652 1.00 0.00 O ATOM 53 OD2 ASP A 4 -7.133 9.391 12.056 1.00 0.00 O ATOM 0 H ASP A 4 -3.578 9.823 10.662 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.032 10.064 9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.894 11.609 11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.564 11.637 11.068 1.00 0.00 H new ATOM 58 N VAL A 5 -4.988 11.741 7.620 1.00 0.00 N ATOM 59 CA VAL A 5 -4.708 12.821 6.689 1.00 0.00 C ATOM 60 C VAL A 5 -4.904 12.262 5.300 1.00 0.00 C ATOM 61 O VAL A 5 -5.388 12.910 4.387 1.00 0.00 O ATOM 62 CB VAL A 5 -3.253 13.358 6.833 1.00 0.00 C ATOM 63 CG1 VAL A 5 -2.203 12.370 6.326 1.00 0.00 C ATOM 64 CG2 VAL A 5 -3.112 14.713 6.173 1.00 0.00 C ATOM 0 H VAL A 5 -5.226 10.862 7.160 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.375 13.659 6.893 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.062 13.477 7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.209 12.799 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.272 11.442 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.378 12.163 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.088 15.068 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.351 14.628 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.795 15.420 6.644 1.00 0.00 H new ATOM 74 N LEU A 6 -4.569 11.012 5.188 1.00 0.00 N ATOM 75 CA LEU A 6 -4.624 10.338 3.948 1.00 0.00 C ATOM 76 C LEU A 6 -5.688 9.295 3.939 1.00 0.00 C ATOM 77 O LEU A 6 -6.468 9.238 3.032 1.00 0.00 O ATOM 78 CB LEU A 6 -3.223 9.798 3.594 1.00 0.00 C ATOM 79 CG LEU A 6 -2.432 9.092 4.717 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.790 7.633 4.938 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.936 9.314 4.608 1.00 0.00 C ATOM 0 H LEU A 6 -4.249 10.436 5.967 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.909 11.038 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.331 9.098 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.622 10.632 3.231 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.765 9.590 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.181 7.227 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.844 7.553 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.602 7.070 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.431 8.795 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.579 8.926 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.721 10.381 4.669 1.00 0.00 H new ATOM 93 N ASN A 7 -5.748 8.476 4.949 1.00 0.00 N ATOM 94 CA ASN A 7 -6.690 7.406 4.851 1.00 0.00 C ATOM 95 C ASN A 7 -8.113 7.852 5.132 1.00 0.00 C ATOM 96 O ASN A 7 -8.906 7.874 4.299 1.00 0.00 O ATOM 97 CB ASN A 7 -6.257 6.198 5.621 1.00 0.00 C ATOM 98 CG ASN A 7 -6.861 4.948 4.998 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.921 4.493 5.387 1.00 0.00 O ATOM 100 ND2 ASN A 7 -6.213 4.414 3.977 1.00 0.00 N ATOM 0 H ASN A 7 -5.191 8.522 5.802 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.705 7.087 3.809 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.169 6.126 5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.572 6.286 6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.600 3.602 3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.326 4.814 3.670 1.00 0.00 H new ATOM 107 N GLN A 8 -8.346 8.509 6.161 1.00 0.00 N ATOM 108 CA GLN A 8 -9.688 8.882 6.474 1.00 0.00 C ATOM 109 C GLN A 8 -10.066 10.169 5.782 1.00 0.00 C ATOM 110 O GLN A 8 -11.215 10.422 5.526 1.00 0.00 O ATOM 111 CB GLN A 8 -9.992 8.800 7.974 1.00 0.00 C ATOM 112 CG GLN A 8 -8.877 9.277 8.878 1.00 0.00 C ATOM 113 CD GLN A 8 -8.642 10.765 8.798 1.00 0.00 C ATOM 114 OE1 GLN A 8 -7.744 11.180 7.933 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -9.243 11.542 9.518 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.640 8.819 6.829 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.367 8.138 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.885 9.389 8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.227 7.766 8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.113 9.008 9.908 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.957 8.756 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.935 11.192 10.181 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.054 12.543 9.458 1.00 0.00 H new ATOM 124 N GLN A 9 -9.091 10.949 5.360 1.00 0.00 N ATOM 125 CA GLN A 9 -9.447 12.078 4.589 1.00 0.00 C ATOM 126 C GLN A 9 -9.486 11.675 3.132 1.00 0.00 C ATOM 127 O GLN A 9 -10.552 11.478 2.576 1.00 0.00 O ATOM 128 CB GLN A 9 -8.534 13.280 4.847 1.00 0.00 C ATOM 129 CG GLN A 9 -8.735 13.897 6.228 1.00 0.00 C ATOM 130 CD GLN A 9 -7.813 15.068 6.504 1.00 0.00 C ATOM 131 OE1 GLN A 9 -6.701 15.138 5.993 1.00 0.00 O ATOM 132 NE2 GLN A 9 -8.244 15.976 7.338 1.00 0.00 N ATOM 0 H GLN A 9 -8.095 10.816 5.537 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.439 12.416 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.495 12.969 4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.718 14.039 4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.769 14.228 6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.575 13.131 6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.174 15.892 7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.650 16.770 7.579 1.00 0.00 H new ATOM 141 N LYS A 10 -8.322 11.366 2.592 1.00 0.00 N ATOM 142 CA LYS A 10 -8.163 11.098 1.170 1.00 0.00 C ATOM 143 C LYS A 10 -8.742 9.745 0.754 1.00 0.00 C ATOM 144 O LYS A 10 -9.021 9.529 -0.415 1.00 0.00 O ATOM 145 CB LYS A 10 -6.684 11.204 0.795 1.00 0.00 C ATOM 146 CG LYS A 10 -6.383 11.357 -0.695 1.00 0.00 C ATOM 147 CD LYS A 10 -7.107 12.562 -1.292 1.00 0.00 C ATOM 148 CE LYS A 10 -6.910 13.811 -0.447 1.00 0.00 C ATOM 149 NZ LYS A 10 -7.641 14.989 -0.988 1.00 0.00 N ATOM 0 H LYS A 10 -7.456 11.293 3.126 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.733 11.849 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.256 12.057 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.172 10.314 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.308 11.468 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.684 10.452 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.739 12.744 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.171 12.343 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.248 13.614 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.846 14.043 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.822 15.668 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.067 15.445 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.546 14.679 -1.396 1.00 0.00 H new ATOM 163 N ILE A 11 -8.992 8.857 1.699 1.00 0.00 N ATOM 164 CA ILE A 11 -9.569 7.603 1.342 1.00 0.00 C ATOM 165 C ILE A 11 -11.023 7.671 1.532 1.00 0.00 C ATOM 166 O ILE A 11 -11.717 7.185 0.726 1.00 0.00 O ATOM 167 CB ILE A 11 -8.933 6.327 2.056 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.596 5.299 1.053 1.00 0.00 C ATOM 169 CG2 ILE A 11 -9.897 5.636 3.077 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.834 4.722 0.505 1.00 0.00 C ATOM 0 H ILE A 11 -8.805 8.988 2.693 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.331 7.443 0.290 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.058 6.703 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.002 5.739 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.988 4.517 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.398 4.776 3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.168 6.345 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.798 5.305 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.585 3.963 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.411 4.268 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.425 5.508 0.034 1.00 0.00 H new ATOM 182 N GLU A 12 -11.495 8.379 2.514 1.00 0.00 N ATOM 183 CA GLU A 12 -12.891 8.331 2.772 1.00 0.00 C ATOM 184 C GLU A 12 -13.624 9.210 1.733 1.00 0.00 C ATOM 185 O GLU A 12 -14.791 8.953 1.378 1.00 0.00 O ATOM 186 CB GLU A 12 -12.995 8.740 4.213 1.00 0.00 C ATOM 187 CG GLU A 12 -14.261 8.510 4.977 1.00 0.00 C ATOM 188 CD GLU A 12 -15.370 9.462 4.605 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.181 10.693 4.750 1.00 0.00 O ATOM 190 OE2 GLU A 12 -16.431 9.014 4.160 1.00 0.00 O ATOM 0 H GLU A 12 -10.947 8.979 3.131 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.377 7.363 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.197 8.229 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.779 9.807 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.598 7.488 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.055 8.604 6.043 1.00 0.00 H new ATOM 197 N GLU A 13 -12.875 10.166 1.166 1.00 0.00 N ATOM 198 CA GLU A 13 -13.389 11.066 0.135 1.00 0.00 C ATOM 199 C GLU A 13 -13.247 10.438 -1.269 1.00 0.00 C ATOM 200 O GLU A 13 -14.088 10.648 -2.136 1.00 0.00 O ATOM 201 CB GLU A 13 -12.653 12.403 0.181 1.00 0.00 C ATOM 202 CG GLU A 13 -11.214 12.321 -0.262 1.00 0.00 C ATOM 203 CD GLU A 13 -10.476 13.632 -0.180 1.00 0.00 C ATOM 204 OE1 GLU A 13 -10.017 14.001 0.908 1.00 0.00 O ATOM 205 OE2 GLU A 13 -10.305 14.305 -1.216 1.00 0.00 O ATOM 0 H GLU A 13 -11.899 10.333 1.411 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.448 11.234 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.178 13.118 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.689 12.792 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.696 11.584 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.180 11.960 -1.290 1.00 0.00 H new ATOM 212 N LEU A 14 -12.166 9.679 -1.484 1.00 0.00 N ATOM 213 CA LEU A 14 -11.951 9.028 -2.775 1.00 0.00 C ATOM 214 C LEU A 14 -12.703 7.743 -2.838 1.00 0.00 C ATOM 215 O LEU A 14 -12.970 7.229 -3.917 1.00 0.00 O ATOM 216 CB LEU A 14 -10.469 8.807 -3.113 1.00 0.00 C ATOM 217 CG LEU A 14 -9.795 9.859 -4.008 1.00 0.00 C ATOM 218 CD1 LEU A 14 -10.426 9.878 -5.394 1.00 0.00 C ATOM 219 CD2 LEU A 14 -9.857 11.237 -3.387 1.00 0.00 C ATOM 0 H LEU A 14 -11.439 9.504 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.333 9.712 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.913 8.751 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.373 7.836 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.746 9.579 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.932 10.631 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.313 8.899 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.486 10.119 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.371 11.956 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.898 11.524 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.346 11.225 -2.424 1.00 0.00 H new ATOM 231 N SER A 15 -12.783 7.097 -1.698 1.00 0.00 N ATOM 232 CA SER A 15 -13.741 6.041 -1.538 1.00 0.00 C ATOM 233 C SER A 15 -15.125 6.645 -1.901 1.00 0.00 C ATOM 234 O SER A 15 -15.413 6.815 -3.076 1.00 0.00 O ATOM 235 CB SER A 15 -13.695 5.469 -0.103 1.00 0.00 C ATOM 236 OG SER A 15 -14.530 4.345 0.074 1.00 0.00 O ATOM 0 H SER A 15 -12.202 7.284 -0.881 1.00 0.00 H new ATOM 0 HA SER A 15 -13.524 5.196 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.669 5.193 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.990 6.247 0.601 1.00 0.00 H new ATOM 0 HG SER A 15 -14.458 4.026 0.998 1.00 0.00 H new ATOM 242 N ALA A 16 -15.958 6.984 -0.930 1.00 0.00 N ATOM 243 CA ALA A 16 -17.223 7.669 -1.235 1.00 0.00 C ATOM 244 C ALA A 16 -18.040 6.990 -2.370 1.00 0.00 C ATOM 245 O ALA A 16 -18.172 5.780 -2.401 1.00 0.00 O ATOM 246 CB ALA A 16 -16.914 9.117 -1.571 1.00 0.00 C ATOM 0 H ALA A 16 -15.794 6.804 0.061 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.861 7.608 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.841 9.643 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.428 9.593 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.251 9.156 -2.435 1.00 0.00 H new ATOM 252 N GLU A 17 -18.568 7.803 -3.291 1.00 0.00 N ATOM 253 CA GLU A 17 -19.309 7.373 -4.496 1.00 0.00 C ATOM 254 C GLU A 17 -18.474 6.415 -5.344 1.00 0.00 C ATOM 255 O GLU A 17 -18.996 5.581 -6.089 1.00 0.00 O ATOM 256 CB GLU A 17 -19.579 8.604 -5.350 1.00 0.00 C ATOM 257 CG GLU A 17 -20.467 8.365 -6.559 1.00 0.00 C ATOM 258 CD GLU A 17 -20.507 9.562 -7.468 1.00 0.00 C ATOM 259 OE1 GLU A 17 -21.262 10.508 -7.192 1.00 0.00 O ATOM 260 OE2 GLU A 17 -19.736 9.594 -8.459 1.00 0.00 O ATOM 0 H GLU A 17 -18.492 8.818 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.226 6.876 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.041 9.368 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.626 9.006 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.102 7.500 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.477 8.127 -6.226 1.00 0.00 H new ATOM 267 N ILE A 18 -17.189 6.513 -5.189 1.00 0.00 N ATOM 268 CA ILE A 18 -16.279 5.713 -5.924 1.00 0.00 C ATOM 269 C ILE A 18 -15.748 4.531 -5.153 1.00 0.00 C ATOM 270 O ILE A 18 -16.407 3.490 -5.166 1.00 0.00 O ATOM 271 CB ILE A 18 -15.273 6.502 -6.824 1.00 0.00 C ATOM 272 CG1 ILE A 18 -14.074 5.639 -7.234 1.00 0.00 C ATOM 273 CG2 ILE A 18 -14.855 7.822 -6.188 1.00 0.00 C ATOM 274 CD1 ILE A 18 -13.114 6.294 -8.202 1.00 0.00 C ATOM 0 H ILE A 18 -16.745 7.161 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.879 5.229 -6.695 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.797 6.757 -7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.524 5.358 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.446 4.718 -7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.156 8.338 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.735 8.446 -6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.374 7.628 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.301 5.605 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.642 6.550 -9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.706 7.200 -7.753 1.00 0.00 H new ATOM 286 N GLY A 19 -14.596 4.589 -4.498 1.00 0.00 N ATOM 287 CA GLY A 19 -14.008 3.506 -3.784 1.00 0.00 C ATOM 288 C GLY A 19 -14.820 2.804 -2.732 1.00 0.00 C ATOM 289 O GLY A 19 -14.335 1.822 -2.241 1.00 0.00 O ATOM 0 H GLY A 19 -14.034 5.440 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.699 2.759 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.102 3.879 -3.307 1.00 0.00 H new ATOM 293 N SER A 20 -16.028 3.222 -2.394 1.00 0.00 N ATOM 294 CA SER A 20 -16.815 2.441 -1.445 1.00 0.00 C ATOM 295 C SER A 20 -17.134 1.087 -2.110 1.00 0.00 C ATOM 296 O SER A 20 -17.349 0.065 -1.450 1.00 0.00 O ATOM 297 CB SER A 20 -18.085 3.209 -1.066 1.00 0.00 C ATOM 298 OG SER A 20 -18.764 2.633 0.038 1.00 0.00 O ATOM 0 H SER A 20 -16.477 4.068 -2.746 1.00 0.00 H new ATOM 0 HA SER A 20 -16.265 2.266 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.824 4.240 -0.829 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.756 3.239 -1.924 1.00 0.00 H new ATOM 0 HG SER A 20 -19.565 3.160 0.241 1.00 0.00 H new ATOM 304 N ASP A 21 -17.118 1.107 -3.439 1.00 0.00 N ATOM 305 CA ASP A 21 -17.224 -0.109 -4.223 1.00 0.00 C ATOM 306 C ASP A 21 -15.913 -0.463 -4.920 1.00 0.00 C ATOM 307 O ASP A 21 -15.693 -1.613 -5.275 1.00 0.00 O ATOM 308 CB ASP A 21 -18.312 0.068 -5.270 1.00 0.00 C ATOM 309 CG ASP A 21 -18.647 -1.201 -6.024 1.00 0.00 C ATOM 310 OD1 ASP A 21 -18.721 -2.283 -5.407 1.00 0.00 O ATOM 311 OD2 ASP A 21 -18.880 -1.130 -7.254 1.00 0.00 O ATOM 0 H ASP A 21 -17.032 1.959 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.468 -0.924 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.214 0.439 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.997 0.830 -5.982 1.00 0.00 H new ATOM 316 N ASN A 22 -14.994 0.488 -5.076 1.00 0.00 N ATOM 317 CA ASN A 22 -13.798 0.187 -5.856 1.00 0.00 C ATOM 318 C ASN A 22 -12.564 -0.136 -4.990 1.00 0.00 C ATOM 319 O ASN A 22 -11.791 -1.029 -5.326 1.00 0.00 O ATOM 320 CB ASN A 22 -13.490 1.282 -6.888 1.00 0.00 C ATOM 321 CG ASN A 22 -12.297 0.939 -7.772 1.00 0.00 C ATOM 322 OD1 ASN A 22 -12.445 0.286 -8.804 1.00 0.00 O ATOM 323 ND2 ASN A 22 -11.119 1.394 -7.396 1.00 0.00 N ATOM 0 H ASN A 22 -15.048 1.431 -4.692 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.031 -0.727 -6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.367 1.442 -7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.294 2.220 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.294 1.208 -7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.032 1.932 -6.534 1.00 0.00 H new ATOM 330 N VAL A 23 -12.353 0.579 -3.890 1.00 0.00 N ATOM 331 CA VAL A 23 -11.191 0.266 -3.058 1.00 0.00 C ATOM 332 C VAL A 23 -11.228 -1.152 -2.447 1.00 0.00 C ATOM 333 O VAL A 23 -10.207 -1.827 -2.498 1.00 0.00 O ATOM 334 CB VAL A 23 -10.714 1.373 -2.049 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.680 1.636 -0.911 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.320 1.067 -1.507 1.00 0.00 C ATOM 0 H VAL A 23 -12.940 1.346 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.385 0.266 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.679 2.293 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.275 2.412 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.638 1.964 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.823 0.721 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.019 1.851 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.334 0.108 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.610 1.022 -2.333 1.00 0.00 H new ATOM 346 N PRO A 24 -12.387 -1.668 -1.909 1.00 0.00 N ATOM 347 CA PRO A 24 -12.446 -3.046 -1.412 1.00 0.00 C ATOM 348 C PRO A 24 -12.060 -4.040 -2.501 1.00 0.00 C ATOM 349 O PRO A 24 -11.270 -4.941 -2.251 1.00 0.00 O ATOM 350 CB PRO A 24 -13.911 -3.253 -0.996 1.00 0.00 C ATOM 351 CG PRO A 24 -14.652 -2.133 -1.629 1.00 0.00 C ATOM 352 CD PRO A 24 -13.683 -0.998 -1.693 1.00 0.00 C ATOM 0 HA PRO A 24 -11.751 -3.207 -0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.286 -4.218 -1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.020 -3.235 0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.002 -2.407 -2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.532 -1.865 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.921 -0.312 -2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.686 -0.415 -0.772 1.00 0.00 H new ATOM 360 N VAL A 25 -12.596 -3.854 -3.723 1.00 0.00 N ATOM 361 CA VAL A 25 -12.215 -4.772 -4.794 1.00 0.00 C ATOM 362 C VAL A 25 -10.729 -4.776 -5.078 1.00 0.00 C ATOM 363 O VAL A 25 -10.109 -5.832 -5.041 1.00 0.00 O ATOM 364 CB VAL A 25 -13.029 -4.722 -6.121 1.00 0.00 C ATOM 365 CG1 VAL A 25 -14.381 -5.394 -5.942 1.00 0.00 C ATOM 366 CG2 VAL A 25 -13.232 -3.311 -6.625 1.00 0.00 C ATOM 0 H VAL A 25 -13.256 -3.119 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.503 -5.725 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.443 -5.260 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.936 -5.350 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.235 -6.436 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.943 -4.879 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.805 -3.335 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.775 -2.732 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.263 -2.848 -6.809 1.00 0.00 H new ATOM 376 N LEU A 26 -10.151 -3.610 -5.291 1.00 0.00 N ATOM 377 CA LEU A 26 -8.762 -3.439 -5.665 1.00 0.00 C ATOM 378 C LEU A 26 -7.837 -3.956 -4.539 1.00 0.00 C ATOM 379 O LEU A 26 -7.009 -4.848 -4.741 1.00 0.00 O ATOM 380 CB LEU A 26 -8.543 -1.913 -5.933 1.00 0.00 C ATOM 381 CG LEU A 26 -7.423 -1.504 -6.906 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.054 -1.901 -6.383 1.00 0.00 C ATOM 383 CD2 LEU A 26 -7.698 -2.122 -8.271 1.00 0.00 C ATOM 0 H LEU A 26 -10.653 -2.726 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.520 -4.013 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.480 -1.502 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.346 -1.431 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.415 -0.418 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.289 -1.596 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.874 -1.411 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.015 -2.982 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.908 -1.836 -8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.726 -3.208 -8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.657 -1.765 -8.646 1.00 0.00 H new ATOM 395 N LEU A 27 -7.956 -3.266 -3.428 1.00 0.00 N ATOM 396 CA LEU A 27 -7.181 -3.633 -2.238 1.00 0.00 C ATOM 397 C LEU A 27 -7.205 -5.163 -1.992 1.00 0.00 C ATOM 398 O LEU A 27 -6.161 -5.780 -1.834 1.00 0.00 O ATOM 399 CB LEU A 27 -7.735 -2.927 -1.002 1.00 0.00 C ATOM 400 CG LEU A 27 -7.088 -3.326 0.320 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.661 -2.800 0.426 1.00 0.00 C ATOM 402 CD2 LEU A 27 -7.935 -2.901 1.507 1.00 0.00 C ATOM 0 H LEU A 27 -8.568 -2.459 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.152 -3.321 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.618 -1.851 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.805 -3.126 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.032 -4.414 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.231 -3.103 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.061 -3.208 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.669 -1.712 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.443 -3.202 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.058 -1.818 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.913 -3.378 1.445 1.00 0.00 H new ATOM 414 N ASP A 28 -8.391 -5.771 -2.010 1.00 0.00 N ATOM 415 CA ASP A 28 -8.516 -7.224 -1.786 1.00 0.00 C ATOM 416 C ASP A 28 -7.773 -8.061 -2.827 1.00 0.00 C ATOM 417 O ASP A 28 -7.070 -9.010 -2.473 1.00 0.00 O ATOM 418 CB ASP A 28 -9.990 -7.649 -1.763 1.00 0.00 C ATOM 419 CG ASP A 28 -10.191 -9.154 -1.656 1.00 0.00 C ATOM 420 OD1 ASP A 28 -10.148 -9.698 -0.529 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.439 -9.811 -2.684 1.00 0.00 O ATOM 0 H ASP A 28 -9.276 -5.291 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.054 -7.414 -0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.486 -7.164 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.477 -7.290 -2.670 1.00 0.00 H new ATOM 426 N ILE A 29 -7.866 -7.670 -4.087 1.00 0.00 N ATOM 427 CA ILE A 29 -7.348 -8.497 -5.168 1.00 0.00 C ATOM 428 C ILE A 29 -5.852 -8.392 -5.266 1.00 0.00 C ATOM 429 O ILE A 29 -5.148 -9.383 -5.209 1.00 0.00 O ATOM 430 CB ILE A 29 -7.995 -8.192 -6.560 1.00 0.00 C ATOM 431 CG1 ILE A 29 -7.856 -6.705 -6.926 1.00 0.00 C ATOM 432 CG2 ILE A 29 -9.449 -8.624 -6.581 1.00 0.00 C ATOM 433 CD1 ILE A 29 -8.368 -6.300 -8.288 1.00 0.00 C ATOM 0 H ILE A 29 -8.291 -6.793 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.626 -9.518 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.458 -8.768 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.382 -6.117 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.802 -6.434 -6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.880 -8.403 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.513 -9.695 -6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.000 -8.084 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.215 -5.230 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.827 -6.850 -9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.432 -6.528 -8.359 1.00 0.00 H new ATOM 445 N PHE A 30 -5.365 -7.183 -5.345 1.00 0.00 N ATOM 446 CA PHE A 30 -3.976 -6.939 -5.575 1.00 0.00 C ATOM 447 C PHE A 30 -3.130 -7.327 -4.393 1.00 0.00 C ATOM 448 O PHE A 30 -1.993 -7.655 -4.523 1.00 0.00 O ATOM 449 CB PHE A 30 -3.802 -5.504 -6.020 1.00 0.00 C ATOM 450 CG PHE A 30 -4.141 -5.246 -7.481 1.00 0.00 C ATOM 451 CD1 PHE A 30 -4.578 -6.268 -8.325 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.009 -3.977 -8.011 1.00 0.00 C ATOM 453 CE1 PHE A 30 -4.874 -6.016 -9.650 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.298 -3.721 -9.336 1.00 0.00 C ATOM 455 CZ PHE A 30 -4.733 -4.740 -10.155 1.00 0.00 C ATOM 0 H PHE A 30 -5.928 -6.338 -5.250 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.613 -7.580 -6.379 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.429 -4.866 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.769 -5.206 -5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.686 -7.270 -7.936 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.673 -3.170 -7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.215 -6.816 -10.290 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.183 -2.722 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.963 -4.540 -11.191 1.00 0.00 H new ATOM 465 N LEU A 31 -3.747 -7.420 -3.270 1.00 0.00 N ATOM 466 CA LEU A 31 -3.063 -7.862 -2.141 1.00 0.00 C ATOM 467 C LEU A 31 -3.211 -9.347 -1.983 1.00 0.00 C ATOM 468 O LEU A 31 -2.223 -10.025 -1.808 1.00 0.00 O ATOM 469 CB LEU A 31 -3.434 -7.032 -0.919 1.00 0.00 C ATOM 470 CG LEU A 31 -2.783 -5.632 -0.812 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.261 -5.733 -0.764 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.208 -4.679 -1.926 1.00 0.00 C ATOM 0 H LEU A 31 -4.730 -7.191 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.992 -7.699 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.517 -6.907 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.169 -7.600 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.147 -5.209 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.832 -4.734 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.963 -6.322 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.900 -6.216 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.715 -3.717 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.925 -5.098 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.289 -4.540 -1.894 1.00 0.00 H new ATOM 484 N GLY A 32 -4.421 -9.872 -2.110 1.00 0.00 N ATOM 485 CA GLY A 32 -4.658 -11.293 -2.009 1.00 0.00 C ATOM 486 C GLY A 32 -3.966 -12.130 -3.086 1.00 0.00 C ATOM 487 O GLY A 32 -3.535 -13.239 -2.808 1.00 0.00 O ATOM 0 H GLY A 32 -5.261 -9.320 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.323 -11.636 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.732 -11.474 -2.060 1.00 0.00 H new ATOM 491 N GLU A 33 -3.862 -11.626 -4.314 1.00 0.00 N ATOM 492 CA GLU A 33 -3.192 -12.375 -5.394 1.00 0.00 C ATOM 493 C GLU A 33 -1.685 -12.208 -5.280 1.00 0.00 C ATOM 494 O GLU A 33 -0.903 -13.087 -5.626 1.00 0.00 O ATOM 495 CB GLU A 33 -3.678 -11.922 -6.759 1.00 0.00 C ATOM 496 CG GLU A 33 -5.186 -11.924 -6.870 1.00 0.00 C ATOM 497 CD GLU A 33 -5.649 -11.645 -8.266 1.00 0.00 C ATOM 498 OE1 GLU A 33 -5.187 -10.665 -8.868 1.00 0.00 O ATOM 499 OE2 GLU A 33 -6.451 -12.438 -8.810 1.00 0.00 O ATOM 0 H GLU A 33 -4.226 -10.714 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.442 -13.431 -5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.304 -10.918 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.260 -12.576 -7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.571 -12.891 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.600 -11.175 -6.195 1.00 0.00 H new ATOM 506 N MET A 34 -1.331 -11.041 -4.808 1.00 0.00 N ATOM 507 CA MET A 34 0.078 -10.847 -4.472 1.00 0.00 C ATOM 508 C MET A 34 0.466 -11.891 -3.435 1.00 0.00 C ATOM 509 O MET A 34 1.403 -12.668 -3.606 1.00 0.00 O ATOM 510 CB MET A 34 0.243 -9.524 -3.830 1.00 0.00 C ATOM 511 CG MET A 34 1.082 -8.535 -4.641 1.00 0.00 C ATOM 512 SD MET A 34 0.311 -7.862 -6.165 1.00 0.00 S ATOM 513 CE MET A 34 -0.100 -9.288 -7.183 1.00 0.00 C ATOM 0 H MET A 34 -1.948 -10.245 -4.650 1.00 0.00 H new ATOM 0 HA MET A 34 0.686 -10.924 -5.373 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.742 -9.091 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.707 -9.662 -2.853 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.344 -7.698 -3.993 1.00 0.00 H new ATOM 0 HG3 MET A 34 2.014 -9.027 -4.919 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.225 -8.972 -8.219 1.00 0.00 H new ATOM 0 HE2 MET A 34 0.704 -10.022 -7.123 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.027 -9.735 -6.825 1.00 0.00 H new ATOM 523 N ASP A 35 -0.360 -11.944 -2.408 1.00 0.00 N ATOM 524 CA ASP A 35 -0.296 -12.844 -1.269 1.00 0.00 C ATOM 525 C ASP A 35 -0.393 -14.290 -1.716 1.00 0.00 C ATOM 526 O ASP A 35 0.193 -15.183 -1.110 1.00 0.00 O ATOM 527 CB ASP A 35 -1.489 -12.470 -0.374 1.00 0.00 C ATOM 528 CG ASP A 35 -1.831 -13.459 0.735 1.00 0.00 C ATOM 529 OD1 ASP A 35 -0.957 -13.841 1.532 1.00 0.00 O ATOM 530 OD2 ASP A 35 -3.011 -13.882 0.814 1.00 0.00 O ATOM 0 H ASP A 35 -1.156 -11.310 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 35 0.651 -12.747 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.286 -11.501 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.368 -12.347 -1.007 1.00 0.00 H new ATOM 535 N SER A 36 -1.079 -14.488 -2.834 1.00 0.00 N ATOM 536 CA SER A 36 -1.310 -15.813 -3.379 1.00 0.00 C ATOM 537 C SER A 36 -0.019 -16.446 -3.681 1.00 0.00 C ATOM 538 O SER A 36 0.283 -17.595 -3.329 1.00 0.00 O ATOM 539 CB SER A 36 -2.045 -15.792 -4.701 1.00 0.00 C ATOM 540 OG SER A 36 -3.354 -15.249 -4.594 1.00 0.00 O ATOM 0 H SER A 36 -1.489 -13.734 -3.385 1.00 0.00 H new ATOM 0 HA SER A 36 -1.898 -16.342 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.472 -15.208 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.108 -16.807 -5.093 1.00 0.00 H new ATOM 0 HG SER A 36 -3.395 -14.642 -3.826 1.00 0.00 H new ATOM 546 N TYR A 37 0.722 -15.658 -4.381 1.00 0.00 N ATOM 547 CA TYR A 37 1.975 -16.022 -4.850 1.00 0.00 C ATOM 548 C TYR A 37 2.896 -16.302 -3.769 1.00 0.00 C ATOM 549 O TYR A 37 3.462 -17.325 -3.737 1.00 0.00 O ATOM 550 CB TYR A 37 2.473 -15.032 -5.861 1.00 0.00 C ATOM 551 CG TYR A 37 1.818 -15.404 -7.114 1.00 0.00 C ATOM 552 CD1 TYR A 37 2.371 -16.405 -7.814 1.00 0.00 C ATOM 553 CD2 TYR A 37 0.608 -14.889 -7.512 1.00 0.00 C ATOM 554 CE1 TYR A 37 1.808 -16.927 -8.908 1.00 0.00 C ATOM 555 CE2 TYR A 37 -0.023 -15.398 -8.624 1.00 0.00 C ATOM 556 CZ TYR A 37 0.582 -16.430 -9.334 1.00 0.00 C ATOM 557 OH TYR A 37 -0.035 -16.947 -10.450 1.00 0.00 O ATOM 0 H TYR A 37 0.444 -14.712 -4.641 1.00 0.00 H new ATOM 0 HA TYR A 37 1.891 -16.969 -5.384 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.220 -14.012 -5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.558 -15.077 -5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.315 -16.808 -7.478 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.152 -14.085 -6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.297 -17.721 -9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.976 -15.001 -8.942 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.884 -16.481 -10.600 1.00 0.00 H new ATOM 567 N ILE A 38 2.871 -15.505 -2.797 1.00 0.00 N ATOM 568 CA ILE A 38 3.811 -15.588 -1.735 1.00 0.00 C ATOM 569 C ILE A 38 3.544 -16.744 -0.785 1.00 0.00 C ATOM 570 O ILE A 38 4.420 -17.171 -0.052 1.00 0.00 O ATOM 571 CB ILE A 38 4.025 -14.197 -1.140 1.00 0.00 C ATOM 572 CG1 ILE A 38 5.150 -13.506 -1.929 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.288 -14.181 0.365 1.00 0.00 C ATOM 574 CD1 ILE A 38 5.112 -13.614 -3.465 1.00 0.00 C ATOM 0 H ILE A 38 2.189 -14.753 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 38 4.792 -15.881 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 38 3.090 -13.645 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.144 -12.448 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.101 -13.915 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.428 -13.153 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.438 -14.620 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.186 -14.759 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.964 -13.081 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.158 -14.663 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.187 -13.174 -3.838 1.00 0.00 H new ATOM 586 N GLY A 39 2.362 -17.302 -0.852 1.00 0.00 N ATOM 587 CA GLY A 39 2.140 -18.549 -0.176 1.00 0.00 C ATOM 588 C GLY A 39 3.004 -19.636 -0.830 1.00 0.00 C ATOM 589 O GLY A 39 3.869 -20.241 -0.195 1.00 0.00 O ATOM 0 H GLY A 39 1.559 -16.923 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.391 -18.454 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.086 -18.823 -0.230 1.00 0.00 H new ATOM 593 N THR A 40 2.846 -19.764 -2.138 1.00 0.00 N ATOM 594 CA THR A 40 3.521 -20.758 -2.939 1.00 0.00 C ATOM 595 C THR A 40 4.979 -20.358 -3.202 1.00 0.00 C ATOM 596 O THR A 40 5.899 -21.044 -2.781 1.00 0.00 O ATOM 597 CB THR A 40 2.785 -20.901 -4.284 1.00 0.00 C ATOM 598 OG1 THR A 40 1.393 -21.172 -4.051 1.00 0.00 O ATOM 599 CG2 THR A 40 3.391 -21.999 -5.146 1.00 0.00 C ATOM 0 H THR A 40 2.227 -19.161 -2.680 1.00 0.00 H new ATOM 0 HA THR A 40 3.516 -21.704 -2.397 1.00 0.00 H new ATOM 0 HB THR A 40 2.891 -19.960 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.929 -21.260 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.843 -22.068 -6.086 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.436 -21.766 -5.351 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.329 -22.951 -4.619 1.00 0.00 H new ATOM 607 N LEU A 41 5.156 -19.232 -3.886 1.00 0.00 N ATOM 608 CA LEU A 41 6.418 -18.646 -4.319 1.00 0.00 C ATOM 609 C LEU A 41 7.452 -18.445 -3.219 1.00 0.00 C ATOM 610 O LEU A 41 8.612 -18.571 -3.476 1.00 0.00 O ATOM 611 CB LEU A 41 6.096 -17.306 -4.936 1.00 0.00 C ATOM 612 CG LEU A 41 5.614 -17.277 -6.379 1.00 0.00 C ATOM 613 CD1 LEU A 41 6.774 -17.428 -7.348 1.00 0.00 C ATOM 614 CD2 LEU A 41 4.600 -18.370 -6.668 1.00 0.00 C ATOM 0 H LEU A 41 4.360 -18.663 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 41 6.874 -19.350 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.333 -16.831 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.990 -16.686 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 41 5.136 -16.307 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.399 -17.404 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.480 -16.611 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.277 -18.378 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.286 -18.309 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.052 -19.344 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.733 -18.243 -6.020 1.00 0.00 H new ATOM 626 N THR A 42 7.018 -18.140 -2.021 1.00 0.00 N ATOM 627 CA THR A 42 7.932 -17.956 -0.888 1.00 0.00 C ATOM 628 C THR A 42 8.330 -19.280 -0.303 1.00 0.00 C ATOM 629 O THR A 42 9.483 -19.516 0.078 1.00 0.00 O ATOM 630 CB THR A 42 7.256 -17.088 0.158 1.00 0.00 C ATOM 631 OG1 THR A 42 6.964 -15.828 -0.444 1.00 0.00 O ATOM 632 CG2 THR A 42 8.100 -16.908 1.416 1.00 0.00 C ATOM 0 H THR A 42 6.033 -18.010 -1.790 1.00 0.00 H new ATOM 0 HA THR A 42 8.840 -17.463 -1.235 1.00 0.00 H new ATOM 0 HB THR A 42 6.342 -17.582 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.340 -15.803 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.564 -16.278 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.293 -17.881 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.047 -16.435 1.154 1.00 0.00 H new ATOM 640 N GLU A 43 7.366 -20.141 -0.267 1.00 0.00 N ATOM 641 CA GLU A 43 7.586 -21.511 0.146 1.00 0.00 C ATOM 642 C GLU A 43 8.478 -22.236 -0.887 1.00 0.00 C ATOM 643 O GLU A 43 9.077 -23.273 -0.602 1.00 0.00 O ATOM 644 CB GLU A 43 6.242 -22.228 0.318 1.00 0.00 C ATOM 645 CG GLU A 43 6.354 -23.685 0.708 1.00 0.00 C ATOM 646 CD GLU A 43 5.020 -24.352 0.877 1.00 0.00 C ATOM 647 OE1 GLU A 43 4.387 -24.689 -0.142 1.00 0.00 O ATOM 648 OE2 GLU A 43 4.606 -24.583 2.026 1.00 0.00 O ATOM 0 H GLU A 43 6.401 -19.927 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 43 8.101 -21.522 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.660 -21.705 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.684 -22.157 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.926 -24.216 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.914 -23.764 1.640 1.00 0.00 H new ATOM 655 N LEU A 44 8.609 -21.666 -2.074 1.00 0.00 N ATOM 656 CA LEU A 44 9.335 -22.327 -3.114 1.00 0.00 C ATOM 657 C LEU A 44 10.633 -21.553 -3.435 1.00 0.00 C ATOM 658 O LEU A 44 11.599 -22.134 -3.942 1.00 0.00 O ATOM 659 CB LEU A 44 8.360 -22.530 -4.321 1.00 0.00 C ATOM 660 CG LEU A 44 8.489 -21.652 -5.578 1.00 0.00 C ATOM 661 CD1 LEU A 44 9.624 -22.118 -6.481 1.00 0.00 C ATOM 662 CD2 LEU A 44 7.182 -21.639 -6.345 1.00 0.00 C ATOM 0 H LEU A 44 8.222 -20.757 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 44 9.680 -23.317 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.454 -23.568 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.346 -22.404 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 44 8.724 -20.640 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.681 -21.472 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.566 -22.072 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.438 -23.144 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.287 -21.014 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.926 -22.655 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.392 -21.238 -5.710 1.00 0.00 H new ATOM 674 N GLN A 45 10.658 -20.259 -3.067 1.00 0.00 N ATOM 675 CA GLN A 45 11.776 -19.357 -3.391 1.00 0.00 C ATOM 676 C GLN A 45 11.629 -17.976 -2.757 1.00 0.00 C ATOM 677 O GLN A 45 10.741 -17.739 -1.961 1.00 0.00 O ATOM 678 CB GLN A 45 11.971 -19.284 -4.903 1.00 0.00 C ATOM 679 CG GLN A 45 10.862 -18.654 -5.705 1.00 0.00 C ATOM 680 CD GLN A 45 11.115 -18.769 -7.204 1.00 0.00 C ATOM 681 OE1 GLN A 45 12.258 -18.798 -7.658 1.00 0.00 O ATOM 682 NE2 GLN A 45 10.064 -18.806 -7.980 1.00 0.00 N ATOM 0 H GLN A 45 9.908 -19.812 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 45 12.679 -19.779 -2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.889 -18.730 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.124 -20.297 -5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.916 -19.135 -5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.767 -17.603 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.129 -18.780 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.179 -18.860 -8.992 1.00 0.00 H new ATOM 691 N GLY A 46 12.530 -17.080 -3.103 1.00 0.00 N ATOM 692 CA GLY A 46 12.570 -15.753 -2.515 1.00 0.00 C ATOM 693 C GLY A 46 11.678 -14.779 -3.208 1.00 0.00 C ATOM 694 O GLY A 46 11.836 -13.587 -3.034 1.00 0.00 O ATOM 0 H GLY A 46 13.256 -17.249 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.281 -15.818 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.594 -15.381 -2.541 1.00 0.00 H new ATOM 698 N SER A 47 10.797 -15.319 -4.026 1.00 0.00 N ATOM 699 CA SER A 47 9.837 -14.594 -4.774 1.00 0.00 C ATOM 700 C SER A 47 9.153 -13.431 -4.049 1.00 0.00 C ATOM 701 O SER A 47 8.646 -12.575 -4.711 1.00 0.00 O ATOM 702 CB SER A 47 8.913 -15.550 -5.428 1.00 0.00 C ATOM 703 OG SER A 47 9.536 -16.081 -6.576 1.00 0.00 O ATOM 0 H SER A 47 10.744 -16.326 -4.182 1.00 0.00 H new ATOM 0 HA SER A 47 10.378 -14.046 -5.546 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.651 -16.352 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.985 -15.049 -5.702 1.00 0.00 H new ATOM 0 HG SER A 47 9.215 -15.607 -7.371 1.00 0.00 H new ATOM 709 N GLU A 48 8.916 -13.514 -2.742 1.00 0.00 N ATOM 710 CA GLU A 48 8.638 -12.278 -1.903 1.00 0.00 C ATOM 711 C GLU A 48 9.313 -10.993 -2.537 1.00 0.00 C ATOM 712 O GLU A 48 8.776 -9.891 -2.497 1.00 0.00 O ATOM 713 CB GLU A 48 9.364 -12.475 -0.581 1.00 0.00 C ATOM 714 CG GLU A 48 9.011 -13.727 0.153 1.00 0.00 C ATOM 715 CD GLU A 48 10.062 -14.110 1.177 1.00 0.00 C ATOM 716 OE1 GLU A 48 11.090 -14.695 0.786 1.00 0.00 O ATOM 717 OE2 GLU A 48 9.860 -13.877 2.388 1.00 0.00 O ATOM 0 H GLU A 48 8.904 -14.390 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 48 7.559 -12.147 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.438 -12.473 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.152 -11.622 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.051 -13.594 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.889 -14.542 -0.561 1.00 0.00 H new ATOM 724 N GLN A 49 10.536 -11.203 -3.027 1.00 0.00 N ATOM 725 CA GLN A 49 11.312 -10.254 -3.836 1.00 0.00 C ATOM 726 C GLN A 49 10.380 -9.526 -4.841 1.00 0.00 C ATOM 727 O GLN A 49 10.259 -8.293 -4.869 1.00 0.00 O ATOM 728 CB GLN A 49 12.301 -11.115 -4.642 1.00 0.00 C ATOM 729 CG GLN A 49 13.211 -10.346 -5.568 1.00 0.00 C ATOM 730 CD GLN A 49 13.777 -11.217 -6.654 1.00 0.00 C ATOM 731 OE1 GLN A 49 14.815 -11.841 -6.496 1.00 0.00 O ATOM 732 NE2 GLN A 49 13.101 -11.242 -7.786 1.00 0.00 N ATOM 0 H GLN A 49 11.037 -12.077 -2.865 1.00 0.00 H new ATOM 0 HA GLN A 49 11.803 -9.510 -3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.915 -11.685 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.735 -11.837 -5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.658 -9.521 -6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.027 -9.908 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.238 -10.706 -7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.441 -11.797 -8.571 1.00 0.00 H new ATOM 741 N LEU A 50 9.722 -10.357 -5.630 1.00 0.00 N ATOM 742 CA LEU A 50 8.770 -10.011 -6.629 1.00 0.00 C ATOM 743 C LEU A 50 7.640 -9.307 -5.960 1.00 0.00 C ATOM 744 O LEU A 50 7.277 -8.207 -6.345 1.00 0.00 O ATOM 745 CB LEU A 50 8.239 -11.290 -7.243 1.00 0.00 C ATOM 746 CG LEU A 50 7.459 -11.168 -8.543 1.00 0.00 C ATOM 747 CD1 LEU A 50 8.383 -10.894 -9.718 1.00 0.00 C ATOM 748 CD2 LEU A 50 6.592 -12.393 -8.760 1.00 0.00 C ATOM 0 H LEU A 50 9.862 -11.366 -5.571 1.00 0.00 H new ATOM 0 HA LEU A 50 9.221 -9.380 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.084 -11.956 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.597 -11.776 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 50 6.792 -10.309 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.795 -10.812 -10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.921 -9.961 -9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.097 -11.712 -9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.041 -12.288 -9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.222 -13.281 -8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.888 -12.492 -7.933 1.00 0.00 H new ATOM 760 N LEU A 51 7.160 -9.919 -4.887 1.00 0.00 N ATOM 761 CA LEU A 51 6.011 -9.451 -4.124 1.00 0.00 C ATOM 762 C LEU A 51 6.081 -7.975 -3.799 1.00 0.00 C ATOM 763 O LEU A 51 5.088 -7.313 -3.790 1.00 0.00 O ATOM 764 CB LEU A 51 5.895 -10.190 -2.811 1.00 0.00 C ATOM 765 CG LEU A 51 4.646 -9.881 -2.023 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.460 -10.555 -2.656 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.800 -10.206 -0.539 1.00 0.00 C ATOM 0 H LEU A 51 7.568 -10.776 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 51 5.147 -9.639 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.928 -11.261 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.764 -9.952 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 51 4.472 -8.806 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.562 -10.327 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.338 -10.194 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.618 -11.633 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.874 -9.966 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.019 -11.267 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.616 -9.617 -0.120 1.00 0.00 H new ATOM 779 N TYR A 52 7.260 -7.460 -3.669 1.00 0.00 N ATOM 780 CA TYR A 52 7.522 -6.107 -3.275 1.00 0.00 C ATOM 781 C TYR A 52 7.541 -5.183 -4.464 1.00 0.00 C ATOM 782 O TYR A 52 6.711 -4.289 -4.574 1.00 0.00 O ATOM 783 CB TYR A 52 8.898 -6.140 -2.702 1.00 0.00 C ATOM 784 CG TYR A 52 9.488 -4.795 -2.349 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.977 -4.016 -1.322 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.598 -4.333 -3.030 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.557 -2.823 -0.988 1.00 0.00 C ATOM 788 CE2 TYR A 52 11.178 -3.132 -2.709 1.00 0.00 C ATOM 789 CZ TYR A 52 10.655 -2.386 -1.684 1.00 0.00 C ATOM 790 OH TYR A 52 11.238 -1.211 -1.346 1.00 0.00 O ATOM 0 H TYR A 52 8.111 -7.995 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 52 6.758 -5.749 -2.585 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.884 -6.758 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.559 -6.631 -3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.108 -4.356 -0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.016 -4.928 -3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.153 -2.229 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.038 -2.778 -3.258 1.00 0.00 H new ATOM 0 HH TYR A 52 10.587 -0.645 -0.881 1.00 0.00 H new ATOM 800 N LEU A 53 8.456 -5.512 -5.384 1.00 0.00 N ATOM 801 CA LEU A 53 8.656 -4.549 -6.474 1.00 0.00 C ATOM 802 C LEU A 53 7.390 -4.409 -7.270 1.00 0.00 C ATOM 803 O LEU A 53 6.980 -3.313 -7.644 1.00 0.00 O ATOM 804 CB LEU A 53 9.963 -4.750 -7.319 1.00 0.00 C ATOM 805 CG LEU A 53 10.065 -5.789 -8.471 1.00 0.00 C ATOM 806 CD1 LEU A 53 9.726 -7.187 -8.045 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.301 -5.371 -9.728 1.00 0.00 C ATOM 0 H LEU A 53 9.024 -6.359 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 53 8.861 -3.581 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.205 -3.780 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.757 -4.990 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 53 11.121 -5.802 -8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.818 -7.860 -8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.410 -7.504 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.703 -7.215 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.412 -6.139 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.245 -5.248 -9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.700 -4.427 -10.100 1.00 0.00 H new ATOM 819 N LYS A 54 6.732 -5.521 -7.443 1.00 0.00 N ATOM 820 CA LYS A 54 5.473 -5.476 -8.095 1.00 0.00 C ATOM 821 C LYS A 54 4.268 -5.143 -7.230 1.00 0.00 C ATOM 822 O LYS A 54 3.263 -4.806 -7.768 1.00 0.00 O ATOM 823 CB LYS A 54 5.219 -6.592 -9.119 1.00 0.00 C ATOM 824 CG LYS A 54 5.751 -7.935 -8.723 1.00 0.00 C ATOM 825 CD LYS A 54 4.680 -8.920 -8.270 1.00 0.00 C ATOM 826 CE LYS A 54 3.679 -8.374 -7.289 1.00 0.00 C ATOM 827 NZ LYS A 54 2.573 -7.602 -7.967 1.00 0.00 N ATOM 0 H LYS A 54 7.045 -6.445 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 54 5.591 -4.576 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.145 -6.676 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.668 -6.304 -10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.290 -8.364 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.473 -7.804 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.144 -9.279 -9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.170 -9.784 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.248 -9.196 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.189 -7.725 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.741 -7.567 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.897 -6.634 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.318 -8.072 -8.859 1.00 0.00 H new ATOM 841 N GLU A 55 4.320 -5.274 -5.928 1.00 0.00 N ATOM 842 CA GLU A 55 3.088 -4.866 -5.241 1.00 0.00 C ATOM 843 C GLU A 55 3.073 -3.367 -5.117 1.00 0.00 C ATOM 844 O GLU A 55 2.155 -2.711 -5.548 1.00 0.00 O ATOM 845 CB GLU A 55 2.805 -5.586 -3.899 1.00 0.00 C ATOM 846 CG GLU A 55 3.233 -4.884 -2.616 1.00 0.00 C ATOM 847 CD GLU A 55 2.096 -4.071 -1.995 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.318 -3.458 -2.758 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.948 -4.094 -0.755 1.00 0.00 O ATOM 0 H GLU A 55 5.096 -5.616 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 55 2.254 -5.194 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.733 -5.773 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.297 -6.558 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.582 -5.625 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.075 -4.225 -2.828 1.00 0.00 H new ATOM 856 N ILE A 56 4.157 -2.833 -4.667 1.00 0.00 N ATOM 857 CA ILE A 56 4.173 -1.413 -4.361 1.00 0.00 C ATOM 858 C ILE A 56 4.202 -0.542 -5.605 1.00 0.00 C ATOM 859 O ILE A 56 3.817 0.609 -5.552 1.00 0.00 O ATOM 860 CB ILE A 56 5.316 -0.998 -3.443 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.627 -1.313 -4.141 1.00 0.00 C ATOM 862 CG2 ILE A 56 5.222 -1.673 -2.081 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.847 -0.998 -3.338 1.00 0.00 C ATOM 0 H ILE A 56 5.032 -3.330 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 56 3.234 -1.250 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 56 5.256 0.073 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.641 -2.372 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.669 -0.755 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.055 -1.350 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.282 -1.398 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.261 -2.755 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.737 -1.254 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.862 0.066 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.833 -1.576 -2.414 1.00 0.00 H new ATOM 875 N SER A 57 4.676 -1.078 -6.711 1.00 0.00 N ATOM 876 CA SER A 57 4.680 -0.311 -7.940 1.00 0.00 C ATOM 877 C SER A 57 3.420 -0.629 -8.739 1.00 0.00 C ATOM 878 O SER A 57 2.873 0.216 -9.443 1.00 0.00 O ATOM 879 CB SER A 57 5.940 -0.613 -8.749 1.00 0.00 C ATOM 880 OG SER A 57 7.106 -0.368 -7.965 1.00 0.00 O ATOM 0 H SER A 57 5.056 -2.022 -6.785 1.00 0.00 H new ATOM 0 HA SER A 57 4.684 0.754 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.928 -1.652 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.961 0.006 -9.646 1.00 0.00 H new ATOM 0 HG SER A 57 7.435 -1.214 -7.595 1.00 0.00 H new ATOM 886 N HIS A 58 3.016 -1.872 -8.667 1.00 0.00 N ATOM 887 CA HIS A 58 1.809 -2.270 -9.338 1.00 0.00 C ATOM 888 C HIS A 58 0.531 -2.011 -8.528 1.00 0.00 C ATOM 889 O HIS A 58 -0.252 -1.134 -8.911 1.00 0.00 O ATOM 890 CB HIS A 58 1.930 -3.672 -9.999 1.00 0.00 C ATOM 891 CG HIS A 58 0.712 -4.544 -9.941 1.00 0.00 C ATOM 892 ND1 HIS A 58 0.573 -5.472 -8.939 1.00 0.00 N ATOM 893 CD2 HIS A 58 -0.386 -4.570 -10.729 1.00 0.00 C ATOM 894 CE1 HIS A 58 -0.597 -6.032 -9.124 1.00 0.00 C ATOM 895 NE2 HIS A 58 -1.218 -5.526 -10.199 1.00 0.00 N ATOM 0 H HIS A 58 3.497 -2.614 -8.159 1.00 0.00 H new ATOM 0 HA HIS A 58 1.683 -1.593 -10.183 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.202 -3.534 -11.046 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.754 -4.204 -9.523 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.572 -3.961 -11.601 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.009 -6.804 -8.491 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.134 -5.799 -10.555 1.00 0.00 H new ATOM 903 N ALA A 59 0.297 -2.650 -7.387 1.00 0.00 N ATOM 904 CA ALA A 59 -0.922 -2.697 -6.613 1.00 0.00 C ATOM 905 C ALA A 59 -1.057 -1.494 -5.724 1.00 0.00 C ATOM 906 O ALA A 59 -2.010 -0.708 -5.861 1.00 0.00 O ATOM 907 CB ALA A 59 -0.848 -3.925 -5.726 1.00 0.00 C ATOM 0 H ALA A 59 1.034 -3.199 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.773 -2.722 -7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.754 -3.994 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.755 -4.817 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.018 -3.848 -5.069 1.00 0.00 H new ATOM 913 N LEU A 60 -0.098 -1.312 -4.817 1.00 0.00 N ATOM 914 CA LEU A 60 -0.091 -0.237 -3.858 1.00 0.00 C ATOM 915 C LEU A 60 0.022 1.065 -4.562 1.00 0.00 C ATOM 916 O LEU A 60 -0.606 2.023 -4.184 1.00 0.00 O ATOM 917 CB LEU A 60 1.062 -0.411 -2.888 1.00 0.00 C ATOM 918 CG LEU A 60 0.805 0.029 -1.454 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.322 -0.811 -0.845 1.00 0.00 C ATOM 920 CD2 LEU A 60 2.082 -0.118 -0.640 1.00 0.00 C ATOM 0 H LEU A 60 0.710 -1.930 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.025 -0.255 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.346 -1.463 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.918 0.146 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 60 0.500 1.075 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.501 -0.491 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.232 -0.678 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.036 -1.863 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.897 0.197 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.400 -1.160 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.864 0.504 -1.075 1.00 0.00 H new ATOM 932 N LYS A 61 0.747 1.072 -5.644 1.00 0.00 N ATOM 933 CA LYS A 61 0.908 2.290 -6.375 1.00 0.00 C ATOM 934 C LYS A 61 -0.359 2.607 -7.154 1.00 0.00 C ATOM 935 O LYS A 61 -0.594 3.755 -7.500 1.00 0.00 O ATOM 936 CB LYS A 61 2.109 2.242 -7.291 1.00 0.00 C ATOM 937 CG LYS A 61 2.548 3.607 -7.761 1.00 0.00 C ATOM 938 CD LYS A 61 3.237 4.365 -6.641 1.00 0.00 C ATOM 939 CE LYS A 61 3.190 5.853 -6.891 1.00 0.00 C ATOM 940 NZ LYS A 61 4.121 6.598 -6.007 1.00 0.00 N ATOM 0 H LYS A 61 1.228 0.261 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 61 1.087 3.090 -5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.937 1.760 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.874 1.624 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.226 3.504 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.684 4.172 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.755 4.136 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.274 4.038 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.442 6.053 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.174 6.215 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.995 7.620 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.920 6.362 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.101 6.334 -6.234 1.00 0.00 H new ATOM 954 N SER A 62 -1.212 1.614 -7.381 1.00 0.00 N ATOM 955 CA SER A 62 -2.458 1.873 -8.052 1.00 0.00 C ATOM 956 C SER A 62 -3.438 2.433 -7.032 1.00 0.00 C ATOM 957 O SER A 62 -3.992 3.537 -7.199 1.00 0.00 O ATOM 958 CB SER A 62 -3.005 0.595 -8.708 1.00 0.00 C ATOM 959 OG SER A 62 -4.071 0.877 -9.606 1.00 0.00 O ATOM 0 H SER A 62 -1.058 0.642 -7.112 1.00 0.00 H new ATOM 0 HA SER A 62 -2.307 2.598 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.202 0.089 -9.244 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.353 -0.090 -7.935 1.00 0.00 H new ATOM 0 HG SER A 62 -4.392 0.042 -10.005 1.00 0.00 H new ATOM 965 N SER A 63 -3.599 1.692 -5.952 1.00 0.00 N ATOM 966 CA SER A 63 -4.448 1.969 -4.855 1.00 0.00 C ATOM 967 C SER A 63 -4.094 3.311 -4.287 1.00 0.00 C ATOM 968 O SER A 63 -4.914 4.170 -4.236 1.00 0.00 O ATOM 969 CB SER A 63 -4.185 0.892 -3.802 1.00 0.00 C ATOM 970 OG SER A 63 -5.059 0.991 -2.692 1.00 0.00 O ATOM 0 H SER A 63 -3.090 0.816 -5.829 1.00 0.00 H new ATOM 0 HA SER A 63 -5.495 1.975 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.294 -0.092 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.154 0.971 -3.456 1.00 0.00 H new ATOM 0 HG SER A 63 -4.853 0.281 -2.049 1.00 0.00 H new ATOM 976 N ALA A 64 -2.830 3.499 -3.968 1.00 0.00 N ATOM 977 CA ALA A 64 -2.417 4.699 -3.263 1.00 0.00 C ATOM 978 C ALA A 64 -2.547 5.928 -4.141 1.00 0.00 C ATOM 979 O ALA A 64 -2.922 6.948 -3.685 1.00 0.00 O ATOM 980 CB ALA A 64 -1.022 4.571 -2.673 1.00 0.00 C ATOM 0 H ALA A 64 -2.077 2.845 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.098 4.824 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.759 5.494 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.000 3.741 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.304 4.386 -3.472 1.00 0.00 H new ATOM 986 N ALA A 65 -2.341 5.793 -5.419 1.00 0.00 N ATOM 987 CA ALA A 65 -2.442 6.906 -6.360 1.00 0.00 C ATOM 988 C ALA A 65 -3.869 7.448 -6.367 1.00 0.00 C ATOM 989 O ALA A 65 -4.117 8.592 -6.757 1.00 0.00 O ATOM 990 CB ALA A 65 -2.064 6.440 -7.754 1.00 0.00 C ATOM 0 H ALA A 65 -2.095 4.905 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.759 7.697 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.142 7.275 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.040 6.067 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.739 5.643 -8.067 1.00 0.00 H new ATOM 996 N SER A 66 -4.799 6.609 -5.957 1.00 0.00 N ATOM 997 CA SER A 66 -6.167 7.009 -5.837 1.00 0.00 C ATOM 998 C SER A 66 -6.568 7.185 -4.358 1.00 0.00 C ATOM 999 O SER A 66 -7.102 8.217 -3.977 1.00 0.00 O ATOM 1000 CB SER A 66 -7.052 5.960 -6.506 1.00 0.00 C ATOM 1001 OG SER A 66 -6.611 5.698 -7.837 1.00 0.00 O ATOM 0 H SER A 66 -4.619 5.638 -5.701 1.00 0.00 H new ATOM 0 HA SER A 66 -6.299 7.972 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.034 5.038 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.085 6.307 -6.522 1.00 0.00 H new ATOM 0 HG SER A 66 -7.191 5.022 -8.247 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.238 6.205 -3.518 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.773 6.124 -2.154 1.00 0.00 C ATOM 1009 C PHE A 67 -5.701 6.385 -1.056 1.00 0.00 C ATOM 1010 O PHE A 67 -5.830 5.983 0.095 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.397 4.729 -2.008 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.441 4.420 -3.060 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -9.673 5.058 -3.044 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -8.190 3.487 -4.058 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -10.629 4.778 -3.998 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -9.147 3.203 -5.016 1.00 0.00 C ATOM 1017 CZ PHE A 67 -10.367 3.852 -4.986 1.00 0.00 C ATOM 0 H PHE A 67 -5.597 5.449 -3.758 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.514 6.910 -2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.607 3.979 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.852 4.645 -1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.886 5.784 -2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.238 2.978 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.583 5.284 -3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.941 2.475 -5.787 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.114 3.634 -5.735 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.673 7.073 -1.440 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.586 7.450 -0.532 1.00 0.00 C ATOM 1029 C GLY A 68 -2.636 8.274 -1.301 1.00 0.00 C ATOM 1030 O GLY A 68 -1.424 8.195 -1.134 1.00 0.00 O ATOM 0 H GLY A 68 -4.544 7.402 -2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.974 8.007 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.092 6.563 -0.136 1.00 0.00 H new ATOM 1034 N ALA A 69 -3.246 9.132 -2.098 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.547 10.010 -3.042 1.00 0.00 C ATOM 1036 C ALA A 69 -1.815 11.134 -2.305 1.00 0.00 C ATOM 1037 O ALA A 69 -1.484 12.173 -2.864 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.559 10.595 -4.008 1.00 0.00 C ATOM 0 H ALA A 69 -4.259 9.247 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.804 9.428 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.050 11.250 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.052 9.789 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.303 11.167 -3.453 1.00 0.00 H new ATOM 1044 N ASP A 70 -1.517 10.859 -1.070 1.00 0.00 N ATOM 1045 CA ASP A 70 -0.937 11.741 -0.143 1.00 0.00 C ATOM 1046 C ASP A 70 0.402 11.064 0.153 1.00 0.00 C ATOM 1047 O ASP A 70 1.032 10.540 -0.786 1.00 0.00 O ATOM 1048 CB ASP A 70 -1.866 11.821 1.063 1.00 0.00 C ATOM 1049 CG ASP A 70 -1.372 12.762 2.120 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -1.411 13.994 1.926 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -0.908 12.266 3.134 1.00 0.00 O ATOM 0 H ASP A 70 -1.693 9.938 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.789 12.770 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.855 12.140 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.980 10.826 1.494 1.00 0.00 H new ATOM 1056 N ARG A 71 0.851 10.955 1.374 1.00 0.00 N ATOM 1057 CA ARG A 71 2.124 10.436 1.789 1.00 0.00 C ATOM 1058 C ARG A 71 2.437 9.033 1.388 1.00 0.00 C ATOM 1059 O ARG A 71 3.432 8.818 0.737 1.00 0.00 O ATOM 1060 CB ARG A 71 2.231 10.535 3.275 1.00 0.00 C ATOM 1061 CG ARG A 71 2.769 11.849 3.752 1.00 0.00 C ATOM 1062 CD ARG A 71 1.837 13.007 3.515 1.00 0.00 C ATOM 1063 NE ARG A 71 2.505 14.282 3.661 1.00 0.00 N ATOM 1064 CZ ARG A 71 2.074 15.416 3.120 1.00 0.00 C ATOM 1065 NH1 ARG A 71 0.881 15.468 2.527 1.00 0.00 N ATOM 1066 NH2 ARG A 71 2.825 16.506 3.201 1.00 0.00 N ATOM 0 H ARG A 71 0.287 11.252 2.170 1.00 0.00 H new ATOM 0 HA ARG A 71 2.852 11.053 1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.246 10.375 3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.876 9.735 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.982 11.778 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.716 12.048 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.414 12.932 2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.005 12.952 4.217 1.00 0.00 H new ATOM 0 HE ARG A 71 3.361 14.312 4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.294 14.634 2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.555 16.341 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.727 16.470 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.501 17.381 2.788 1.00 0.00 H new ATOM 1080 N LEU A 72 1.600 8.091 1.757 1.00 0.00 N ATOM 1081 CA LEU A 72 1.921 6.669 1.507 1.00 0.00 C ATOM 1082 C LEU A 72 2.282 6.436 0.046 1.00 0.00 C ATOM 1083 O LEU A 72 3.204 5.707 -0.269 1.00 0.00 O ATOM 1084 CB LEU A 72 0.827 5.682 1.952 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.555 5.818 1.321 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -1.394 4.595 1.632 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.239 7.035 1.869 1.00 0.00 C ATOM 0 H LEU A 72 0.707 8.257 2.222 1.00 0.00 H new ATOM 0 HA LEU A 72 2.787 6.459 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.187 4.672 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.712 5.774 3.032 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.441 5.911 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.378 4.704 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.905 3.707 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.503 4.494 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.226 7.132 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.342 6.939 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.646 7.920 1.638 1.00 0.00 H new ATOM 1099 N CYS A 73 1.705 7.249 -0.791 1.00 0.00 N ATOM 1100 CA CYS A 73 1.877 7.006 -2.195 1.00 0.00 C ATOM 1101 C CYS A 73 3.265 7.391 -2.653 1.00 0.00 C ATOM 1102 O CYS A 73 3.997 6.572 -3.218 1.00 0.00 O ATOM 1103 CB CYS A 73 0.786 7.648 -3.053 1.00 0.00 C ATOM 1104 SG CYS A 73 0.969 7.409 -4.830 1.00 0.00 S ATOM 0 H CYS A 73 1.133 8.056 -0.541 1.00 0.00 H new ATOM 0 HA CYS A 73 1.769 5.931 -2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.179 7.246 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 73 0.766 8.718 -2.846 1.00 0.00 H new ATOM 0 HG CYS A 73 0.275 8.308 -5.463 1.00 0.00 H new ATOM 1110 N GLU A 74 3.708 8.570 -2.322 1.00 0.00 N ATOM 1111 CA GLU A 74 4.960 9.020 -2.890 1.00 0.00 C ATOM 1112 C GLU A 74 5.977 9.260 -1.824 1.00 0.00 C ATOM 1113 O GLU A 74 7.160 9.022 -2.021 1.00 0.00 O ATOM 1114 CB GLU A 74 4.704 10.276 -3.705 1.00 0.00 C ATOM 1115 CG GLU A 74 5.777 10.635 -4.695 1.00 0.00 C ATOM 1116 CD GLU A 74 5.849 9.625 -5.818 1.00 0.00 C ATOM 1117 OE1 GLU A 74 4.775 9.209 -6.329 1.00 0.00 O ATOM 1118 OE2 GLU A 74 6.960 9.230 -6.230 1.00 0.00 O ATOM 0 H GLU A 74 3.247 9.221 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 74 5.364 8.246 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.764 10.154 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.572 11.113 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.579 11.625 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.740 10.687 -4.188 1.00 0.00 H new ATOM 1125 N ARG A 75 5.505 9.673 -0.689 1.00 0.00 N ATOM 1126 CA ARG A 75 6.357 9.928 0.427 1.00 0.00 C ATOM 1127 C ARG A 75 6.800 8.582 0.951 1.00 0.00 C ATOM 1128 O ARG A 75 7.932 8.434 1.409 1.00 0.00 O ATOM 1129 CB ARG A 75 5.545 10.684 1.487 1.00 0.00 C ATOM 1130 CG ARG A 75 6.175 10.932 2.859 1.00 0.00 C ATOM 1131 CD ARG A 75 6.357 9.656 3.693 1.00 0.00 C ATOM 1132 NE ARG A 75 6.894 9.925 5.039 1.00 0.00 N ATOM 1133 CZ ARG A 75 7.439 9.013 5.872 1.00 0.00 C ATOM 1134 NH1 ARG A 75 7.590 7.744 5.493 1.00 0.00 N ATOM 1135 NH2 ARG A 75 7.858 9.376 7.081 1.00 0.00 N ATOM 0 H ARG A 75 4.515 9.843 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 75 7.226 10.530 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.276 11.653 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.616 10.136 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.146 11.408 2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.551 11.633 3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.397 9.147 3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.029 8.977 3.168 1.00 0.00 H new ATOM 0 HE ARG A 75 6.850 10.888 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.292 7.451 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.003 7.066 6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.768 10.346 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.269 8.684 7.707 1.00 0.00 H new ATOM 1149 N ALA A 76 5.953 7.558 0.813 1.00 0.00 N ATOM 1150 CA ALA A 76 6.310 6.328 1.401 1.00 0.00 C ATOM 1151 C ALA A 76 7.053 5.606 0.392 1.00 0.00 C ATOM 1152 O ALA A 76 8.139 5.259 0.666 1.00 0.00 O ATOM 1153 CB ALA A 76 5.152 5.531 1.966 1.00 0.00 C ATOM 0 H ALA A 76 5.062 7.580 0.317 1.00 0.00 H new ATOM 0 HA ALA A 76 6.914 6.511 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.525 4.602 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.652 6.114 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.444 5.303 1.169 1.00 0.00 H new ATOM 1159 N ILE A 77 6.516 5.564 -0.836 1.00 0.00 N ATOM 1160 CA ILE A 77 7.252 4.846 -1.876 1.00 0.00 C ATOM 1161 C ILE A 77 8.691 5.386 -2.163 1.00 0.00 C ATOM 1162 O ILE A 77 9.562 4.682 -2.705 1.00 0.00 O ATOM 1163 CB ILE A 77 6.385 4.474 -3.097 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.118 3.732 -2.601 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.139 3.543 -4.068 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.390 2.602 -1.624 1.00 0.00 C ATOM 0 H ILE A 77 5.633 5.989 -1.119 1.00 0.00 H new ATOM 0 HA ILE A 77 7.489 3.873 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 77 6.130 5.394 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.453 4.453 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.588 3.329 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.496 3.303 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.039 4.043 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.415 2.624 -3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.447 2.140 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.027 1.856 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.891 2.998 -0.740 1.00 0.00 H new ATOM 1178 N ALA A 78 8.979 6.563 -1.609 1.00 0.00 N ATOM 1179 CA ALA A 78 10.304 7.158 -1.683 1.00 0.00 C ATOM 1180 C ALA A 78 11.196 6.440 -0.663 1.00 0.00 C ATOM 1181 O ALA A 78 12.049 5.617 -1.029 1.00 0.00 O ATOM 1182 CB ALA A 78 10.253 8.645 -1.379 1.00 0.00 C ATOM 0 H ALA A 78 8.299 7.126 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 78 10.703 7.046 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.257 9.064 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.607 9.142 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.858 8.798 -0.375 1.00 0.00 H new ATOM 1188 N ILE A 79 10.835 6.552 0.635 1.00 0.00 N ATOM 1189 CA ILE A 79 11.648 5.987 1.761 1.00 0.00 C ATOM 1190 C ILE A 79 11.540 4.453 1.669 1.00 0.00 C ATOM 1191 O ILE A 79 12.492 3.737 1.924 1.00 0.00 O ATOM 1192 CB ILE A 79 11.020 6.384 3.123 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.578 7.854 3.132 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.991 6.112 4.272 1.00 0.00 C ATOM 1195 CD1 ILE A 79 11.692 8.865 2.926 1.00 0.00 C ATOM 0 H ILE A 79 9.986 7.028 0.940 1.00 0.00 H new ATOM 0 HA ILE A 79 12.673 6.353 1.693 1.00 0.00 H new ATOM 0 HB ILE A 79 10.133 5.766 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.831 7.997 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.090 8.064 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.527 6.399 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.238 5.051 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.902 6.693 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.277 9.873 2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.431 8.759 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.168 8.690 1.961 1.00 0.00 H new ATOM 1207 N ASP A 80 10.473 4.229 0.929 1.00 0.00 N ATOM 1208 CA ASP A 80 9.995 2.827 0.867 1.00 0.00 C ATOM 1209 C ASP A 80 11.114 1.976 0.389 1.00 0.00 C ATOM 1210 O ASP A 80 11.776 1.303 1.193 1.00 0.00 O ATOM 1211 CB ASP A 80 8.777 2.566 -0.010 1.00 0.00 C ATOM 1212 CG ASP A 80 8.144 1.228 0.301 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.664 0.188 -0.129 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.166 1.198 1.070 1.00 0.00 O ATOM 0 H ASP A 80 9.945 4.921 0.397 1.00 0.00 H new ATOM 0 HA ASP A 80 9.668 2.589 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.044 3.359 0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.070 2.595 -1.059 1.00 0.00 H new ATOM 1219 N LYS A 81 11.456 2.161 -0.862 1.00 0.00 N ATOM 1220 CA LYS A 81 12.527 1.387 -1.407 1.00 0.00 C ATOM 1221 C LYS A 81 13.909 1.629 -0.792 1.00 0.00 C ATOM 1222 O LYS A 81 14.551 0.653 -0.397 1.00 0.00 O ATOM 1223 CB LYS A 81 12.515 1.214 -2.950 1.00 0.00 C ATOM 1224 CG LYS A 81 12.090 2.399 -3.819 1.00 0.00 C ATOM 1225 CD LYS A 81 12.925 3.633 -3.585 1.00 0.00 C ATOM 1226 CE LYS A 81 12.660 4.701 -4.636 1.00 0.00 C ATOM 1227 NZ LYS A 81 11.224 5.051 -4.781 1.00 0.00 N ATOM 0 H LYS A 81 11.018 2.824 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 81 12.280 0.388 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.519 0.922 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.854 0.379 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.158 2.115 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.044 2.632 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.710 4.035 -2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.981 3.365 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.220 5.600 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.040 4.355 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.124 6.083 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.842 4.600 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.699 4.715 -3.949 1.00 0.00 H new ATOM 1241 N LYS A 82 14.236 2.886 -0.385 1.00 0.00 N ATOM 1242 CA LYS A 82 15.713 3.087 -0.179 1.00 0.00 C ATOM 1243 C LYS A 82 16.153 2.581 1.151 1.00 0.00 C ATOM 1244 O LYS A 82 17.083 1.768 1.282 1.00 0.00 O ATOM 1245 CB LYS A 82 16.282 4.502 -0.274 1.00 0.00 C ATOM 1246 CG LYS A 82 16.184 5.216 -1.595 1.00 0.00 C ATOM 1247 CD LYS A 82 14.877 5.946 -1.732 1.00 0.00 C ATOM 1248 CE LYS A 82 14.639 6.911 -0.563 1.00 0.00 C ATOM 1249 NZ LYS A 82 15.749 7.865 -0.362 1.00 0.00 N ATOM 0 H LYS A 82 13.612 3.674 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 82 16.099 2.530 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.780 5.115 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.335 4.458 0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.008 5.923 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.287 4.496 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.867 6.501 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.061 5.225 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.718 7.467 -0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.493 6.335 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.487 8.553 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.601 7.348 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.942 8.366 -1.253 1.00 0.00 H new ATOM 1263 N ALA A 83 15.370 2.799 2.118 1.00 0.00 N ATOM 1264 CA ALA A 83 15.814 2.675 3.434 1.00 0.00 C ATOM 1265 C ALA A 83 14.756 2.043 4.184 1.00 0.00 C ATOM 1266 O ALA A 83 15.028 1.356 5.079 1.00 0.00 O ATOM 1267 CB ALA A 83 16.151 4.035 4.030 1.00 0.00 C ATOM 0 H ALA A 83 14.392 3.072 2.019 1.00 0.00 H new ATOM 0 HA ALA A 83 16.725 2.078 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.494 3.907 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.937 4.506 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.263 4.667 4.020 1.00 0.00 H new ATOM 1273 N LYS A 84 13.524 2.305 3.831 1.00 0.00 N ATOM 1274 CA LYS A 84 12.510 1.613 4.522 1.00 0.00 C ATOM 1275 C LYS A 84 12.711 0.152 4.235 1.00 0.00 C ATOM 1276 O LYS A 84 12.555 -0.652 5.142 1.00 0.00 O ATOM 1277 CB LYS A 84 11.129 2.134 4.152 1.00 0.00 C ATOM 1278 CG LYS A 84 9.928 1.565 4.907 1.00 0.00 C ATOM 1279 CD LYS A 84 9.563 0.133 4.509 1.00 0.00 C ATOM 1280 CE LYS A 84 9.292 0.100 3.010 1.00 0.00 C ATOM 1281 NZ LYS A 84 8.582 -1.082 2.476 1.00 0.00 N ATOM 0 H LYS A 84 13.225 2.959 3.107 1.00 0.00 H new ATOM 0 HA LYS A 84 12.573 1.775 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.130 3.215 4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.975 1.949 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.138 1.591 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.066 2.210 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.375 -0.549 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.684 -0.200 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.713 0.987 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.248 0.182 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.477 -0.988 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.127 -1.941 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.642 -1.150 2.915 1.00 0.00 H new ATOM 1295 N ALA A 85 13.149 -0.240 3.015 1.00 0.00 N ATOM 1296 CA ALA A 85 13.402 -1.631 2.839 1.00 0.00 C ATOM 1297 C ALA A 85 14.729 -2.034 3.514 1.00 0.00 C ATOM 1298 O ALA A 85 14.775 -3.036 4.284 1.00 0.00 O ATOM 1299 CB ALA A 85 13.466 -1.895 1.350 1.00 0.00 C ATOM 0 H ALA A 85 13.316 0.362 2.209 1.00 0.00 H new ATOM 0 HA ALA A 85 12.610 -2.221 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.659 -2.954 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.517 -1.619 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.268 -1.303 0.910 1.00 0.00 H new ATOM 1305 N ASN A 86 15.749 -1.147 3.432 1.00 0.00 N ATOM 1306 CA ASN A 86 17.064 -1.459 4.019 1.00 0.00 C ATOM 1307 C ASN A 86 17.174 -1.304 5.527 1.00 0.00 C ATOM 1308 O ASN A 86 18.135 -1.754 6.126 1.00 0.00 O ATOM 1309 CB ASN A 86 18.122 -0.588 3.348 1.00 0.00 C ATOM 1310 CG ASN A 86 18.666 -1.165 2.046 1.00 0.00 C ATOM 1311 OD1 ASN A 86 17.928 -2.057 1.397 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 19.775 -0.832 1.638 1.00 0.00 N flip ATOM 0 H ASN A 86 15.687 -0.236 2.978 1.00 0.00 H new ATOM 0 HA ASN A 86 17.216 -2.522 3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.695 0.395 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.950 -0.440 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.323 -0.144 2.155 1.00 0.00 H new ATOM 0 HD22 ASN A 86 20.148 -1.243 0.782 1.00 0.00 H new ATOM 1319 N GLN A 87 16.234 -0.660 6.130 1.00 0.00 N ATOM 1320 CA GLN A 87 16.330 -0.322 7.534 1.00 0.00 C ATOM 1321 C GLN A 87 15.432 -1.120 8.422 1.00 0.00 C ATOM 1322 O GLN A 87 15.710 -1.266 9.611 1.00 0.00 O ATOM 1323 CB GLN A 87 15.951 1.113 7.644 1.00 0.00 C ATOM 1324 CG GLN A 87 15.847 1.702 8.996 1.00 0.00 C ATOM 1325 CD GLN A 87 15.165 3.037 8.913 1.00 0.00 C ATOM 1326 OE1 GLN A 87 15.150 3.584 7.721 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 14.565 3.509 9.869 1.00 0.00 N flip ATOM 0 H GLN A 87 15.375 -0.348 5.678 1.00 0.00 H new ATOM 0 HA GLN A 87 17.345 -0.538 7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.681 1.695 7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.989 1.243 7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 87 15.286 1.036 9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.840 1.816 9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.608 3.046 10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.022 4.365 9.758 1.00 0.00 H new ATOM 1336 N LEU A 88 14.403 -1.708 7.901 1.00 0.00 N ATOM 1337 CA LEU A 88 13.362 -2.388 8.590 1.00 0.00 C ATOM 1338 C LEU A 88 13.810 -3.795 8.903 1.00 0.00 C ATOM 1339 O LEU A 88 13.778 -4.236 10.049 1.00 0.00 O ATOM 1340 CB LEU A 88 12.261 -2.373 7.520 1.00 0.00 C ATOM 1341 CG LEU A 88 10.812 -2.703 7.816 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.622 -4.049 8.508 1.00 0.00 C ATOM 1343 CD2 LEU A 88 10.142 -1.565 8.549 1.00 0.00 C ATOM 0 H LEU A 88 14.261 -1.724 6.891 1.00 0.00 H new ATOM 0 HA LEU A 88 13.057 -1.954 9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.267 -1.373 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.581 -3.062 6.739 1.00 0.00 H new ATOM 0 HG LEU A 88 10.310 -2.818 6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.561 -4.219 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.013 -4.843 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.156 -4.048 9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.103 -1.824 8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.660 -1.383 9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.179 -0.665 7.935 1.00 0.00 H new ATOM 1355 N GLN A 89 14.155 -4.472 7.830 1.00 0.00 N ATOM 1356 CA GLN A 89 14.603 -5.794 7.650 1.00 0.00 C ATOM 1357 C GLN A 89 15.341 -6.478 8.745 1.00 0.00 C ATOM 1358 O GLN A 89 15.910 -5.889 9.656 1.00 0.00 O ATOM 1359 CB GLN A 89 15.438 -5.781 6.406 1.00 0.00 C ATOM 1360 CG GLN A 89 16.553 -4.709 6.324 1.00 0.00 C ATOM 1361 CD GLN A 89 17.740 -4.954 7.251 1.00 0.00 C ATOM 1362 OE1 GLN A 89 18.070 -6.090 7.551 1.00 0.00 O ATOM 1363 NE2 GLN A 89 18.412 -3.919 7.667 1.00 0.00 N ATOM 0 H GLN A 89 14.111 -4.004 6.925 1.00 0.00 H new ATOM 0 HA GLN A 89 13.696 -6.396 7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.901 -6.762 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.774 -5.646 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.915 -4.658 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.121 -3.736 6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.116 -2.979 7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.234 -4.048 8.257 1.00 0.00 H new ATOM 1372 N GLU A 90 15.372 -7.760 8.568 1.00 0.00 N ATOM 1373 CA GLU A 90 16.127 -8.612 9.377 1.00 0.00 C ATOM 1374 C GLU A 90 17.407 -8.937 8.614 1.00 0.00 C ATOM 1375 O GLU A 90 18.517 -8.680 9.066 1.00 0.00 O ATOM 1376 CB GLU A 90 15.383 -9.912 9.686 1.00 0.00 C ATOM 1377 CG GLU A 90 14.085 -9.785 10.455 1.00 0.00 C ATOM 1378 CD GLU A 90 14.281 -9.522 11.922 1.00 0.00 C ATOM 1379 OE1 GLU A 90 14.426 -8.355 12.327 1.00 0.00 O ATOM 1380 OE2 GLU A 90 14.293 -10.495 12.701 1.00 0.00 O ATOM 0 H GLU A 90 14.853 -8.239 7.832 1.00 0.00 H new ATOM 0 HA GLU A 90 16.331 -8.121 10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.172 -10.416 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.052 -10.561 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.494 -8.976 10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.508 -10.701 10.332 1.00 0.00 H new ATOM 1387 N GLN A 91 17.207 -9.520 7.430 1.00 0.00 N ATOM 1388 CA GLN A 91 18.288 -9.989 6.577 1.00 0.00 C ATOM 1389 C GLN A 91 18.573 -9.082 5.396 1.00 0.00 C ATOM 1390 O GLN A 91 19.199 -9.506 4.429 1.00 0.00 O ATOM 1391 CB GLN A 91 17.895 -11.363 6.052 1.00 0.00 C ATOM 1392 CG GLN A 91 17.610 -12.372 7.143 1.00 0.00 C ATOM 1393 CD GLN A 91 18.834 -12.681 7.986 1.00 0.00 C ATOM 1394 OE1 GLN A 91 19.599 -13.582 7.670 1.00 0.00 O ATOM 1395 NE2 GLN A 91 19.040 -11.937 9.052 1.00 0.00 N ATOM 0 H GLN A 91 16.279 -9.679 7.038 1.00 0.00 H new ATOM 0 HA GLN A 91 19.197 -10.009 7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.011 -11.262 5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.696 -11.743 5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 91 16.817 -11.992 7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 91 17.241 -13.294 6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 91 18.384 -11.193 9.289 1.00 0.00 H new ATOM 0 HE22 GLN A 91 19.856 -12.104 9.641 1.00 0.00 H new ATOM 1404 N GLY A 92 18.151 -7.843 5.445 1.00 0.00 N ATOM 1405 CA GLY A 92 18.433 -6.984 4.324 1.00 0.00 C ATOM 1406 C GLY A 92 17.329 -6.922 3.284 1.00 0.00 C ATOM 1407 O GLY A 92 17.573 -7.238 2.128 1.00 0.00 O ATOM 0 H GLY A 92 17.632 -7.420 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 92 18.623 -5.976 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 92 19.349 -7.325 3.843 1.00 0.00 H new ATOM 1411 N MET A 93 16.093 -6.570 3.698 1.00 0.00 N ATOM 1412 CA MET A 93 14.926 -6.235 2.857 1.00 0.00 C ATOM 1413 C MET A 93 14.267 -7.433 2.201 1.00 0.00 C ATOM 1414 O MET A 93 13.051 -7.519 2.130 1.00 0.00 O ATOM 1415 CB MET A 93 15.271 -5.115 1.896 1.00 0.00 C ATOM 1416 CG MET A 93 14.598 -5.147 0.534 1.00 0.00 C ATOM 1417 SD MET A 93 15.346 -3.947 -0.590 1.00 0.00 S ATOM 1418 CE MET A 93 14.340 -4.213 -2.042 1.00 0.00 C ATOM 0 H MET A 93 15.870 -6.509 4.692 1.00 0.00 H new ATOM 0 HA MET A 93 14.146 -5.864 3.522 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.022 -4.168 2.375 1.00 0.00 H new ATOM 0 HB3 MET A 93 16.350 -5.121 1.742 1.00 0.00 H new ATOM 0 HG2 MET A 93 14.678 -6.147 0.109 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.535 -4.932 0.645 1.00 0.00 H new ATOM 0 HE1 MET A 93 14.105 -3.253 -2.503 1.00 0.00 H new ATOM 0 HE2 MET A 93 14.885 -4.833 -2.753 1.00 0.00 H new ATOM 0 HE3 MET A 93 13.415 -4.715 -1.757 1.00 0.00 H new ATOM 1428 N GLU A 94 15.094 -8.386 1.897 1.00 0.00 N ATOM 1429 CA GLU A 94 14.855 -9.597 1.138 1.00 0.00 C ATOM 1430 C GLU A 94 13.843 -10.601 1.750 1.00 0.00 C ATOM 1431 O GLU A 94 13.907 -11.782 1.430 1.00 0.00 O ATOM 1432 CB GLU A 94 16.223 -10.246 0.975 1.00 0.00 C ATOM 1433 CG GLU A 94 16.852 -10.738 2.273 1.00 0.00 C ATOM 1434 CD GLU A 94 18.097 -11.559 2.036 1.00 0.00 C ATOM 1435 OE1 GLU A 94 19.017 -11.090 1.331 1.00 0.00 O ATOM 1436 OE2 GLU A 94 18.187 -12.682 2.564 1.00 0.00 O ATOM 0 H GLU A 94 16.065 -8.337 2.205 1.00 0.00 H new ATOM 0 HA GLU A 94 14.378 -9.321 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.131 -11.088 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.898 -9.528 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.099 -9.882 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.125 -11.336 2.822 1.00 0.00 H new ATOM 1443 N THR A 95 12.872 -10.097 2.514 1.00 0.00 N ATOM 1444 CA THR A 95 11.851 -10.940 3.150 1.00 0.00 C ATOM 1445 C THR A 95 11.019 -10.199 4.204 1.00 0.00 C ATOM 1446 O THR A 95 9.858 -9.898 3.976 1.00 0.00 O ATOM 1447 CB THR A 95 12.401 -12.289 3.729 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.359 -13.049 4.352 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.588 -12.123 4.697 1.00 0.00 C ATOM 0 H THR A 95 12.769 -9.101 2.710 1.00 0.00 H new ATOM 0 HA THR A 95 11.186 -11.200 2.326 1.00 0.00 H new ATOM 0 HB THR A 95 12.784 -12.833 2.866 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.875 -13.561 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.908 -13.103 5.052 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.415 -11.637 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.282 -11.512 5.546 1.00 0.00 H new ATOM 1457 N SER A 96 11.648 -9.805 5.291 1.00 0.00 N ATOM 1458 CA SER A 96 10.956 -9.330 6.479 1.00 0.00 C ATOM 1459 C SER A 96 10.101 -8.093 6.209 1.00 0.00 C ATOM 1460 O SER A 96 8.969 -7.991 6.656 1.00 0.00 O ATOM 1461 CB SER A 96 12.024 -9.007 7.497 1.00 0.00 C ATOM 1462 OG SER A 96 13.152 -9.861 7.286 1.00 0.00 O ATOM 0 H SER A 96 12.664 -9.804 5.380 1.00 0.00 H new ATOM 0 HA SER A 96 10.268 -10.099 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.323 -7.962 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.634 -9.143 8.506 1.00 0.00 H new ATOM 0 HG SER A 96 12.920 -10.778 7.541 1.00 0.00 H new ATOM 1468 N GLU A 97 10.647 -7.202 5.428 1.00 0.00 N ATOM 1469 CA GLU A 97 10.027 -5.930 5.155 1.00 0.00 C ATOM 1470 C GLU A 97 8.988 -6.030 4.028 1.00 0.00 C ATOM 1471 O GLU A 97 7.906 -5.451 4.103 1.00 0.00 O ATOM 1472 CB GLU A 97 11.153 -4.917 4.919 1.00 0.00 C ATOM 1473 CG GLU A 97 10.769 -3.626 4.254 1.00 0.00 C ATOM 1474 CD GLU A 97 10.770 -3.782 2.761 1.00 0.00 C ATOM 1475 OE1 GLU A 97 11.699 -4.431 2.241 1.00 0.00 O ATOM 1476 OE2 GLU A 97 9.828 -3.303 2.123 1.00 0.00 O ATOM 0 H GLU A 97 11.542 -7.337 4.958 1.00 0.00 H new ATOM 0 HA GLU A 97 9.435 -5.582 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.607 -4.682 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.921 -5.397 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.780 -3.316 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.466 -2.840 4.544 1.00 0.00 H new ATOM 1483 N MET A 98 9.314 -6.784 3.015 1.00 0.00 N ATOM 1484 CA MET A 98 8.410 -7.039 1.914 1.00 0.00 C ATOM 1485 C MET A 98 7.164 -7.834 2.392 1.00 0.00 C ATOM 1486 O MET A 98 6.043 -7.554 1.990 1.00 0.00 O ATOM 1487 CB MET A 98 9.199 -7.699 0.755 1.00 0.00 C ATOM 1488 CG MET A 98 9.988 -8.929 1.114 1.00 0.00 C ATOM 1489 SD MET A 98 11.039 -9.512 -0.236 1.00 0.00 S ATOM 1490 CE MET A 98 11.878 -8.011 -0.751 1.00 0.00 C ATOM 0 H MET A 98 10.219 -7.245 2.924 1.00 0.00 H new ATOM 0 HA MET A 98 8.004 -6.107 1.522 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.495 -7.960 -0.035 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.884 -6.960 0.340 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.609 -8.715 1.984 1.00 0.00 H new ATOM 0 HG3 MET A 98 9.300 -9.724 1.401 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.870 -8.260 -1.128 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.302 -7.524 -1.538 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.972 -7.336 0.100 1.00 0.00 H new ATOM 1500 N LEU A 99 7.389 -8.807 3.264 1.00 0.00 N ATOM 1501 CA LEU A 99 6.259 -9.527 3.890 1.00 0.00 C ATOM 1502 C LEU A 99 5.458 -8.592 4.806 1.00 0.00 C ATOM 1503 O LEU A 99 4.226 -8.735 4.981 1.00 0.00 O ATOM 1504 CB LEU A 99 6.759 -10.691 4.731 1.00 0.00 C ATOM 1505 CG LEU A 99 7.514 -11.780 3.995 1.00 0.00 C ATOM 1506 CD1 LEU A 99 7.995 -12.825 4.984 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.638 -12.395 2.917 1.00 0.00 C ATOM 0 H LEU A 99 8.315 -9.120 3.557 1.00 0.00 H new ATOM 0 HA LEU A 99 5.625 -9.894 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.407 -10.294 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.902 -11.146 5.228 1.00 0.00 H new ATOM 0 HG LEU A 99 8.386 -11.348 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.537 -13.607 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.655 -12.358 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.138 -13.262 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.194 -13.175 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.748 -12.827 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.343 -11.625 2.205 1.00 0.00 H new ATOM 1519 N ALA A 100 6.181 -7.644 5.386 1.00 0.00 N ATOM 1520 CA ALA A 100 5.614 -6.672 6.306 1.00 0.00 C ATOM 1521 C ALA A 100 4.489 -5.900 5.665 1.00 0.00 C ATOM 1522 O ALA A 100 3.521 -5.568 6.332 1.00 0.00 O ATOM 1523 CB ALA A 100 6.668 -5.729 6.866 1.00 0.00 C ATOM 0 H ALA A 100 7.182 -7.528 5.230 1.00 0.00 H new ATOM 0 HA ALA A 100 5.205 -7.235 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.197 -5.021 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.422 -6.304 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.141 -5.185 6.048 1.00 0.00 H new ATOM 1529 N LEU A 101 4.569 -5.703 4.356 1.00 0.00 N ATOM 1530 CA LEU A 101 3.573 -4.982 3.588 1.00 0.00 C ATOM 1531 C LEU A 101 2.200 -5.594 3.736 1.00 0.00 C ATOM 1532 O LEU A 101 1.197 -4.891 3.790 1.00 0.00 O ATOM 1533 CB LEU A 101 3.950 -4.998 2.137 1.00 0.00 C ATOM 1534 CG LEU A 101 5.286 -4.332 1.792 1.00 0.00 C ATOM 1535 CD1 LEU A 101 5.654 -4.573 0.349 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.261 -2.840 2.090 1.00 0.00 C ATOM 0 H LEU A 101 5.345 -6.048 3.791 1.00 0.00 H new ATOM 0 HA LEU A 101 3.540 -3.961 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.984 -6.034 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.161 -4.504 1.570 1.00 0.00 H new ATOM 0 HG LEU A 101 6.047 -4.788 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.606 -4.090 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.742 -5.645 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.880 -4.159 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.225 -2.401 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.477 -2.364 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.063 -2.684 3.150 1.00 0.00 H new ATOM 1548 N LEU A 102 2.146 -6.894 3.857 1.00 0.00 N ATOM 1549 CA LEU A 102 0.900 -7.575 3.964 1.00 0.00 C ATOM 1550 C LEU A 102 0.242 -7.365 5.328 1.00 0.00 C ATOM 1551 O LEU A 102 -0.955 -7.085 5.399 1.00 0.00 O ATOM 1552 CB LEU A 102 1.055 -9.041 3.626 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.169 -9.895 3.891 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.327 -9.515 2.966 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.167 -11.365 3.770 1.00 0.00 C ATOM 0 H LEU A 102 2.965 -7.501 3.883 1.00 0.00 H new ATOM 0 HA LEU A 102 0.223 -7.138 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.319 -9.129 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.891 -9.444 4.199 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.494 -9.705 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.188 -10.147 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.593 -8.470 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.025 -9.657 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.726 -11.959 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.530 -11.574 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.939 -11.623 4.495 1.00 0.00 H new ATOM 1567 N HIS A 103 0.996 -7.488 6.416 1.00 0.00 N ATOM 1568 CA HIS A 103 0.361 -7.261 7.709 1.00 0.00 C ATOM 1569 C HIS A 103 -0.007 -5.786 7.871 1.00 0.00 C ATOM 1570 O HIS A 103 -0.986 -5.444 8.520 1.00 0.00 O ATOM 1571 CB HIS A 103 1.141 -7.819 8.926 1.00 0.00 C ATOM 1572 CG HIS A 103 2.540 -7.314 9.126 1.00 0.00 C ATOM 1573 ND1 HIS A 103 2.802 -5.987 9.369 1.00 0.00 N ATOM 1574 CD2 HIS A 103 3.708 -7.998 9.101 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.113 -5.892 9.477 1.00 0.00 C ATOM 1576 NE2 HIS A 103 4.702 -7.088 9.328 1.00 0.00 N ATOM 0 H HIS A 103 1.987 -7.729 6.435 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.556 -7.851 7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.568 -7.597 9.827 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.182 -8.904 8.834 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.831 -9.058 8.934 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.644 -4.970 9.662 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.702 -7.282 9.375 1.00 0.00 H new ATOM 1584 N ILE A 104 0.716 -4.933 7.169 1.00 0.00 N ATOM 1585 CA ILE A 104 0.415 -3.502 7.260 1.00 0.00 C ATOM 1586 C ILE A 104 -0.784 -3.166 6.385 1.00 0.00 C ATOM 1587 O ILE A 104 -1.657 -2.414 6.779 1.00 0.00 O ATOM 1588 CB ILE A 104 1.656 -2.541 7.049 1.00 0.00 C ATOM 1589 CG1 ILE A 104 1.307 -1.030 7.085 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.423 -2.842 5.790 1.00 0.00 C ATOM 1591 CD1 ILE A 104 0.803 -0.466 5.757 1.00 0.00 C ATOM 0 H ILE A 104 1.488 -5.184 6.551 1.00 0.00 H new ATOM 0 HA ILE A 104 0.144 -3.301 8.297 1.00 0.00 H new ATOM 0 HB ILE A 104 2.288 -2.753 7.911 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.547 -0.863 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.193 -0.472 7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.261 -2.151 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.798 -3.865 5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.766 -2.729 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.583 0.595 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.569 -0.597 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.103 -0.994 5.458 1.00 0.00 H new ATOM 1603 N THR A 105 -0.888 -3.834 5.267 1.00 0.00 N ATOM 1604 CA THR A 105 -2.000 -3.560 4.381 1.00 0.00 C ATOM 1605 C THR A 105 -3.305 -4.143 4.955 1.00 0.00 C ATOM 1606 O THR A 105 -4.384 -3.589 4.771 1.00 0.00 O ATOM 1607 CB THR A 105 -1.731 -4.071 2.935 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.622 -3.441 2.012 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.924 -5.572 2.843 1.00 0.00 C ATOM 0 H THR A 105 -0.239 -4.554 4.949 1.00 0.00 H new ATOM 0 HA THR A 105 -2.113 -2.478 4.314 1.00 0.00 H new ATOM 0 HB THR A 105 -0.699 -3.824 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.187 -3.366 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.730 -5.902 1.822 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.233 -6.070 3.523 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.948 -5.825 3.117 1.00 0.00 H new ATOM 1617 N ARG A 106 -3.187 -5.219 5.717 1.00 0.00 N ATOM 1618 CA ARG A 106 -4.376 -5.858 6.210 1.00 0.00 C ATOM 1619 C ARG A 106 -4.829 -5.156 7.481 1.00 0.00 C ATOM 1620 O ARG A 106 -5.984 -4.809 7.619 1.00 0.00 O ATOM 1621 CB ARG A 106 -4.162 -7.374 6.447 1.00 0.00 C ATOM 1622 CG ARG A 106 -3.367 -7.719 7.700 1.00 0.00 C ATOM 1623 CD ARG A 106 -3.189 -9.207 7.934 1.00 0.00 C ATOM 1624 NE ARG A 106 -2.663 -9.445 9.285 1.00 0.00 N ATOM 1625 CZ ARG A 106 -2.332 -10.630 9.802 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -2.343 -11.722 9.051 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -1.975 -10.716 11.081 1.00 0.00 N ATOM 0 H ARG A 106 -2.306 -5.650 5.996 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.157 -5.773 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.136 -7.859 6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.649 -7.794 5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.384 -7.253 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.867 -7.284 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.143 -9.719 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.507 -9.621 7.191 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.539 -8.628 9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.606 -11.662 8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.088 -12.623 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.955 -9.878 11.662 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.721 -11.620 11.480 1.00 0.00 H new ATOM 1641 N ASP A 107 -3.879 -4.861 8.356 1.00 0.00 N ATOM 1642 CA ASP A 107 -4.152 -4.322 9.677 1.00 0.00 C ATOM 1643 C ASP A 107 -4.315 -2.813 9.711 1.00 0.00 C ATOM 1644 O ASP A 107 -5.221 -2.287 10.388 1.00 0.00 O ATOM 1645 CB ASP A 107 -3.080 -4.807 10.667 1.00 0.00 C ATOM 1646 CG ASP A 107 -3.364 -6.193 11.220 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -4.202 -6.326 12.121 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -2.758 -7.188 10.766 1.00 0.00 O ATOM 0 H ASP A 107 -2.886 -4.991 8.165 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.125 -4.707 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.110 -4.812 10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.010 -4.100 11.493 1.00 0.00 H new ATOM 1653 N ALA A 108 -3.493 -2.106 8.976 1.00 0.00 N ATOM 1654 CA ALA A 108 -3.563 -0.662 8.993 1.00 0.00 C ATOM 1655 C ALA A 108 -4.808 -0.174 8.277 1.00 0.00 C ATOM 1656 O ALA A 108 -5.566 0.581 8.838 1.00 0.00 O ATOM 1657 CB ALA A 108 -2.318 -0.038 8.411 1.00 0.00 C ATOM 0 H ALA A 108 -2.776 -2.498 8.365 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.626 -0.346 10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.407 1.048 8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.450 -0.347 8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.196 -0.364 7.378 1.00 0.00 H new ATOM 1663 N TYR A 109 -5.080 -0.728 7.108 1.00 0.00 N ATOM 1664 CA TYR A 109 -6.228 -0.314 6.272 1.00 0.00 C ATOM 1665 C TYR A 109 -7.531 -0.729 6.949 1.00 0.00 C ATOM 1666 O TYR A 109 -8.544 -0.068 6.880 1.00 0.00 O ATOM 1667 CB TYR A 109 -6.109 -0.900 4.857 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.944 -0.337 4.060 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -3.633 -0.565 4.459 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -5.150 0.412 2.911 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.570 -0.068 3.753 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -4.086 0.917 2.192 1.00 0.00 C ATOM 1673 CZ TYR A 109 -2.796 0.672 2.619 1.00 0.00 C ATOM 1674 OH TYR A 109 -1.736 1.182 1.912 1.00 0.00 O ATOM 0 H TYR A 109 -4.521 -1.477 6.699 1.00 0.00 H new ATOM 0 HA TYR A 109 -6.228 0.771 6.170 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.999 -1.982 4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.035 -0.709 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -3.447 -1.149 5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.158 0.603 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.560 -0.257 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.261 1.501 1.300 1.00 0.00 H new ATOM 0 HH TYR A 109 -2.069 1.680 1.136 1.00 0.00 H new ATOM 1684 N ARG A 110 -7.413 -1.805 7.647 1.00 0.00 N ATOM 1685 CA ARG A 110 -8.503 -2.291 8.479 1.00 0.00 C ATOM 1686 C ARG A 110 -9.035 -1.180 9.429 1.00 0.00 C ATOM 1687 O ARG A 110 -10.233 -1.101 9.696 1.00 0.00 O ATOM 1688 CB ARG A 110 -8.012 -3.529 9.224 1.00 0.00 C ATOM 1689 CG ARG A 110 -8.635 -3.826 10.555 1.00 0.00 C ATOM 1690 CD ARG A 110 -10.135 -4.073 10.486 1.00 0.00 C ATOM 1691 NE ARG A 110 -10.499 -5.262 9.711 1.00 0.00 N ATOM 1692 CZ ARG A 110 -11.469 -6.117 10.058 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -12.092 -5.991 11.236 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -11.795 -7.108 9.244 1.00 0.00 N ATOM 0 H ARG A 110 -6.572 -2.382 7.670 1.00 0.00 H new ATOM 0 HA ARG A 110 -9.357 -2.569 7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -8.167 -4.394 8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.936 -3.430 9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.151 -4.702 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.444 -2.992 11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.525 -4.176 11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.618 -3.201 10.046 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.981 -5.450 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.828 -5.241 11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -12.830 -6.645 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.308 -7.219 8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -12.534 -7.761 9.506 1.00 0.00 H new ATOM 1708 N SER A 111 -8.161 -0.272 9.829 1.00 0.00 N ATOM 1709 CA SER A 111 -8.512 0.778 10.771 1.00 0.00 C ATOM 1710 C SER A 111 -9.336 1.950 10.160 1.00 0.00 C ATOM 1711 O SER A 111 -10.097 2.603 10.883 1.00 0.00 O ATOM 1712 CB SER A 111 -7.224 1.311 11.401 1.00 0.00 C ATOM 1713 OG SER A 111 -6.445 0.237 11.929 1.00 0.00 O ATOM 0 H SER A 111 -7.192 -0.241 9.512 1.00 0.00 H new ATOM 0 HA SER A 111 -9.169 0.329 11.516 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.645 1.856 10.655 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.466 2.018 12.195 1.00 0.00 H new ATOM 0 HG SER A 111 -5.963 -0.207 11.200 1.00 0.00 H new ATOM 1719 N TRP A 112 -9.226 2.194 8.844 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.831 3.411 8.230 1.00 0.00 C ATOM 1721 C TRP A 112 -10.262 3.205 6.781 1.00 0.00 C ATOM 1722 O TRP A 112 -10.732 4.127 6.114 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.828 4.597 8.309 1.00 0.00 C ATOM 1724 CG TRP A 112 -7.396 4.172 8.415 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.749 3.227 7.666 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -6.431 4.692 9.318 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -5.454 3.146 8.047 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -5.237 4.014 9.072 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -6.467 5.659 10.323 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -4.087 4.262 9.774 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -5.314 5.911 11.033 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.135 5.212 10.759 1.00 0.00 C ATOM 0 H TRP A 112 -8.737 1.586 8.188 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.732 3.632 8.802 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.947 5.221 7.423 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -9.078 5.216 9.171 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -7.205 2.634 6.887 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.752 2.533 7.632 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.378 6.197 10.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -3.174 3.727 9.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.321 6.659 11.812 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.246 5.425 11.334 1.00 0.00 H new ATOM 1743 N THR A 113 -10.180 1.994 6.333 1.00 0.00 N ATOM 1744 CA THR A 113 -10.394 1.686 4.945 1.00 0.00 C ATOM 1745 C THR A 113 -11.561 0.702 4.826 1.00 0.00 C ATOM 1746 O THR A 113 -12.702 1.107 4.560 1.00 0.00 O ATOM 1747 CB THR A 113 -9.092 1.096 4.348 1.00 0.00 C ATOM 1748 OG1 THR A 113 -7.999 1.994 4.563 1.00 0.00 O ATOM 1749 CG2 THR A 113 -9.198 0.803 2.884 1.00 0.00 C ATOM 0 H THR A 113 -9.963 1.185 6.915 1.00 0.00 H new ATOM 0 HA THR A 113 -10.647 2.587 4.386 1.00 0.00 H new ATOM 0 HB THR A 113 -8.921 0.151 4.863 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.336 2.836 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.254 0.392 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.996 0.080 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.421 1.723 2.344 1.00 0.00 H new ATOM 1757 N ASN A 114 -11.281 -0.558 5.100 1.00 0.00 N ATOM 1758 CA ASN A 114 -12.231 -1.664 5.036 1.00 0.00 C ATOM 1759 C ASN A 114 -11.537 -2.934 5.459 1.00 0.00 C ATOM 1760 O ASN A 114 -10.835 -3.542 4.667 1.00 0.00 O ATOM 1761 CB ASN A 114 -12.973 -1.826 3.669 1.00 0.00 C ATOM 1762 CG ASN A 114 -12.120 -1.675 2.418 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -12.090 -0.466 1.888 1.00 0.00 O flip ATOM 1764 ND2 ASN A 114 -11.535 -2.621 1.906 1.00 0.00 N flip ATOM 1765 OXT ASN A 114 -11.652 -3.295 6.647 1.00 0.00 O ATOM 0 H ASN A 114 -10.348 -0.856 5.385 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.036 -1.426 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.440 -2.810 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.776 -1.091 3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -11.578 -3.543 2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.005 -2.487 1.045 1.00 0.00 H new TER 1772 ASN A 114