USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 797 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 93 ASN : amide:sc= 0 X(o=-3.1,f=-2.9) USER MOD Set 1.2: A 95 ASN : amide:sc= -3.15! C(o=-3.1!,f=-2.9!) USER MOD Set 2.1: A 43 ASN : amide:sc= -2.04! C(o=-2.1!,f=-10!) USER MOD Set 2.2: A 58 THR OG1 : rot -6:sc= -0.103 USER MOD Set 3.1: A 23 CYS SG : rot -60:sc= -0.0528 USER MOD Set 3.2: A 99 ASN : amide:sc= -0.639 K(o=-0.69,f=-3.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -111:sc= 1.19 USER MOD Single : A 3 TYR OH : rot -15:sc= -0.0238 USER MOD Single : A 6 SER OG : rot -130:sc= 0.489 USER MOD Single : A 7 SER OG : rot 170:sc= -3.68! USER MOD Single : A 9 ASN : amide:sc= 1.13 K(o=1.1,f=-1.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.711 K(o=-0.71,f=-1.3) USER MOD Single : A 18 THR OG1 : rot -72:sc= 1.27 USER MOD Single : A 25 ASN : amide:sc= -0.024 K(o=-0.024,f=-12!) USER MOD Single : A 29 ASN : amide:sc= 1.23 K(o=1.2,f=-0.12) USER MOD Single : A 32 THR OG1 : rot -102:sc= 1.24 USER MOD Single : A 33 SER OG : rot -93:sc= 1.2 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.073 F(o=-1.5!,f=-0.073) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 54 ASN : amide:sc= 0.454 K(o=0.45,f=-0.52) USER MOD Single : A 56 THR OG1 : rot 100:sc= 0.205 USER MOD Single : A 65 HIS : no HE2:sc= 0.616 K(o=0.62,f=-6!) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0641) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 83 CYS SG : rot -71:sc= 1.23 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 88 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.522 K(o=-0.52,f=-6!) USER MOD Single : A 107 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.815 12.233 -9.695 1.00 0.00 N ATOM 2 CA MET A 1 -2.532 11.934 -9.024 1.00 0.00 C ATOM 3 C MET A 1 -2.525 10.504 -8.485 1.00 0.00 C ATOM 4 O MET A 1 -2.086 9.580 -9.169 1.00 0.00 O ATOM 5 CB MET A 1 -2.273 12.942 -7.892 1.00 0.00 C ATOM 6 CG MET A 1 -1.015 12.663 -7.085 1.00 0.00 C ATOM 7 SD MET A 1 0.456 12.517 -8.119 1.00 0.00 S ATOM 8 CE MET A 1 1.710 12.205 -6.878 1.00 0.00 C ATOM 0 H1 MET A 1 -3.800 13.209 -10.054 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.954 11.574 -10.488 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.595 12.126 -9.016 1.00 0.00 H new ATOM 0 HA MET A 1 -1.730 12.024 -9.757 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.202 13.942 -8.320 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.130 12.943 -7.219 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.867 13.464 -6.361 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.149 11.742 -6.518 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.680 12.091 -7.362 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.748 13.042 -6.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.466 11.292 -6.335 1.00 0.00 H new ATOM 18 N SER A 2 -3.041 10.325 -7.277 1.00 0.00 N ATOM 19 CA SER A 2 -3.087 9.018 -6.639 1.00 0.00 C ATOM 20 C SER A 2 -4.232 8.990 -5.640 1.00 0.00 C ATOM 21 O SER A 2 -4.943 9.984 -5.500 1.00 0.00 O ATOM 22 CB SER A 2 -1.768 8.726 -5.912 1.00 0.00 C ATOM 23 OG SER A 2 -0.654 8.857 -6.781 1.00 0.00 O ATOM 0 H SER A 2 -3.437 11.078 -6.715 1.00 0.00 H new ATOM 0 HA SER A 2 -3.239 8.257 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.656 9.410 -5.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.794 7.717 -5.501 1.00 0.00 H new ATOM 0 HG SER A 2 -0.257 7.975 -6.939 1.00 0.00 H new ATOM 29 N TYR A 3 -4.412 7.881 -4.938 1.00 0.00 N ATOM 30 CA TYR A 3 -5.485 7.787 -3.954 1.00 0.00 C ATOM 31 C TYR A 3 -5.232 8.777 -2.813 1.00 0.00 C ATOM 32 O TYR A 3 -6.160 9.390 -2.288 1.00 0.00 O ATOM 33 CB TYR A 3 -5.606 6.351 -3.419 1.00 0.00 C ATOM 34 CG TYR A 3 -4.631 5.998 -2.315 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.283 5.796 -2.579 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.068 5.867 -1.003 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.399 5.477 -1.567 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.193 5.549 0.015 1.00 0.00 C ATOM 39 CZ TYR A 3 -2.858 5.353 -0.272 1.00 0.00 C ATOM 40 OH TYR A 3 -1.980 5.034 0.738 1.00 0.00 O ATOM 0 H TYR A 3 -3.838 7.042 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.429 8.044 -4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.620 6.201 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.462 5.657 -4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.920 5.890 -3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.113 6.017 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.353 5.325 -1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.551 5.454 1.030 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.144 4.699 0.351 1.00 0.00 H new ATOM 50 N ALA A 4 -3.950 8.954 -2.481 1.00 0.00 N ATOM 51 CA ALA A 4 -3.517 9.855 -1.413 1.00 0.00 C ATOM 52 C ALA A 4 -4.005 11.283 -1.625 1.00 0.00 C ATOM 53 O ALA A 4 -4.124 12.048 -0.668 1.00 0.00 O ATOM 54 CB ALA A 4 -2.002 9.834 -1.301 1.00 0.00 C ATOM 0 H ALA A 4 -3.181 8.474 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.962 9.496 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.687 10.507 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.668 8.822 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.563 10.158 -2.244 1.00 0.00 H new ATOM 60 N ASP A 5 -4.282 11.635 -2.878 1.00 0.00 N ATOM 61 CA ASP A 5 -4.772 12.970 -3.217 1.00 0.00 C ATOM 62 C ASP A 5 -6.047 13.295 -2.441 1.00 0.00 C ATOM 63 O ASP A 5 -6.303 14.450 -2.099 1.00 0.00 O ATOM 64 CB ASP A 5 -5.037 13.066 -4.723 1.00 0.00 C ATOM 65 CG ASP A 5 -5.665 14.385 -5.134 1.00 0.00 C ATOM 66 OD1 ASP A 5 -6.909 14.496 -5.096 1.00 0.00 O ATOM 67 OD2 ASP A 5 -4.921 15.310 -5.519 1.00 0.00 O ATOM 0 H ASP A 5 -4.175 11.012 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.007 13.696 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.098 12.935 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.693 12.249 -5.023 1.00 0.00 H new ATOM 72 N SER A 6 -6.841 12.270 -2.156 1.00 0.00 N ATOM 73 CA SER A 6 -8.087 12.453 -1.426 1.00 0.00 C ATOM 74 C SER A 6 -8.364 11.266 -0.508 1.00 0.00 C ATOM 75 O SER A 6 -9.506 10.812 -0.392 1.00 0.00 O ATOM 76 CB SER A 6 -9.246 12.628 -2.408 1.00 0.00 C ATOM 77 OG SER A 6 -9.015 13.708 -3.300 1.00 0.00 O ATOM 0 H SER A 6 -6.643 11.305 -2.420 1.00 0.00 H new ATOM 0 HA SER A 6 -7.992 13.348 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.384 11.708 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.169 12.803 -1.855 1.00 0.00 H new ATOM 0 HG SER A 6 -9.801 14.293 -3.317 1.00 0.00 H new ATOM 83 N SER A 7 -7.334 10.788 0.174 1.00 0.00 N ATOM 84 CA SER A 7 -7.491 9.646 1.059 1.00 0.00 C ATOM 85 C SER A 7 -7.233 10.031 2.506 1.00 0.00 C ATOM 86 O SER A 7 -6.431 10.922 2.793 1.00 0.00 O ATOM 87 CB SER A 7 -6.536 8.527 0.651 1.00 0.00 C ATOM 88 OG SER A 7 -5.186 8.923 0.822 1.00 0.00 O ATOM 0 H SER A 7 -6.389 11.170 0.132 1.00 0.00 H new ATOM 0 HA SER A 7 -8.520 9.297 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.736 7.638 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.710 8.257 -0.391 1.00 0.00 H new ATOM 0 HG SER A 7 -4.600 8.145 0.710 1.00 0.00 H new ATOM 94 N ARG A 8 -7.911 9.343 3.407 1.00 0.00 N ATOM 95 CA ARG A 8 -7.781 9.591 4.828 1.00 0.00 C ATOM 96 C ARG A 8 -7.960 8.276 5.576 1.00 0.00 C ATOM 97 O ARG A 8 -8.415 7.290 4.989 1.00 0.00 O ATOM 98 CB ARG A 8 -8.818 10.626 5.286 1.00 0.00 C ATOM 99 CG ARG A 8 -10.130 10.025 5.769 1.00 0.00 C ATOM 100 CD ARG A 8 -11.330 10.783 5.233 1.00 0.00 C ATOM 101 NE ARG A 8 -11.733 10.283 3.921 1.00 0.00 N ATOM 102 CZ ARG A 8 -12.886 9.652 3.696 1.00 0.00 C ATOM 103 NH1 ARG A 8 -13.752 9.469 4.686 1.00 0.00 N ATOM 104 NH2 ARG A 8 -13.169 9.191 2.485 1.00 0.00 N ATOM 0 H ARG A 8 -8.566 8.597 3.172 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.792 9.995 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.388 11.223 6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.025 11.306 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.189 8.983 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.153 10.032 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.162 10.690 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.090 11.844 5.162 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.099 10.424 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.536 9.812 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.633 8.986 4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.504 9.319 1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.052 8.709 2.316 1.00 0.00 H new ATOM 118 N ASN A 9 -7.594 8.269 6.852 1.00 0.00 N ATOM 119 CA ASN A 9 -7.706 7.084 7.705 1.00 0.00 C ATOM 120 C ASN A 9 -7.047 5.864 7.067 1.00 0.00 C ATOM 121 O ASN A 9 -7.494 4.731 7.249 1.00 0.00 O ATOM 122 CB ASN A 9 -9.178 6.795 8.030 1.00 0.00 C ATOM 123 CG ASN A 9 -9.766 7.806 8.997 1.00 0.00 C ATOM 124 OD1 ASN A 9 -9.064 8.346 9.856 1.00 0.00 O ATOM 125 ND2 ASN A 9 -11.055 8.075 8.863 1.00 0.00 N ATOM 0 H ASN A 9 -7.210 9.085 7.329 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.175 7.294 8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.758 6.799 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.264 5.796 8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.502 8.750 9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.601 7.607 8.140 1.00 0.00 H new ATOM 132 N ALA A 10 -5.979 6.102 6.323 1.00 0.00 N ATOM 133 CA ALA A 10 -5.259 5.029 5.667 1.00 0.00 C ATOM 134 C ALA A 10 -4.391 4.288 6.676 1.00 0.00 C ATOM 135 O ALA A 10 -3.449 4.851 7.226 1.00 0.00 O ATOM 136 CB ALA A 10 -4.427 5.591 4.525 1.00 0.00 C ATOM 0 H ALA A 10 -5.593 7.032 6.160 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.969 4.315 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.887 4.781 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.082 6.079 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.714 6.317 4.917 1.00 0.00 H new ATOM 142 N VAL A 11 -4.720 3.022 6.913 1.00 0.00 N ATOM 143 CA VAL A 11 -3.998 2.188 7.875 1.00 0.00 C ATOM 144 C VAL A 11 -3.862 0.765 7.331 1.00 0.00 C ATOM 145 O VAL A 11 -4.667 0.333 6.501 1.00 0.00 O ATOM 146 CB VAL A 11 -4.737 2.135 9.242 1.00 0.00 C ATOM 147 CG1 VAL A 11 -3.898 1.422 10.293 1.00 0.00 C ATOM 148 CG2 VAL A 11 -5.112 3.529 9.726 1.00 0.00 C ATOM 0 H VAL A 11 -5.491 2.544 6.447 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.013 2.630 8.025 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.656 1.568 9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.440 1.400 11.238 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.696 0.402 9.967 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.955 1.953 10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.627 3.455 10.684 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.209 4.128 9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.769 4.003 8.997 1.00 0.00 H new ATOM 158 N LEU A 12 -2.847 0.039 7.788 1.00 0.00 N ATOM 159 CA LEU A 12 -2.631 -1.331 7.348 1.00 0.00 C ATOM 160 C LEU A 12 -3.340 -2.300 8.284 1.00 0.00 C ATOM 161 O LEU A 12 -3.405 -2.081 9.493 1.00 0.00 O ATOM 162 CB LEU A 12 -1.137 -1.649 7.289 1.00 0.00 C ATOM 163 CG LEU A 12 -0.641 -2.145 5.932 1.00 0.00 C ATOM 164 CD1 LEU A 12 -1.090 -1.210 4.821 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.870 -2.269 5.945 1.00 0.00 C ATOM 0 H LEU A 12 -2.162 0.378 8.463 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.045 -1.442 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.578 -0.753 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.911 -2.405 8.041 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.072 -3.128 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.726 -1.582 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.179 -1.164 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.688 -0.213 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.214 -2.623 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.313 -1.295 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.170 -2.978 6.717 1.00 0.00 H new ATOM 177 N THR A 13 -3.880 -3.364 7.719 1.00 0.00 N ATOM 178 CA THR A 13 -4.598 -4.360 8.483 1.00 0.00 C ATOM 179 C THR A 13 -4.071 -5.749 8.143 1.00 0.00 C ATOM 180 O THR A 13 -3.315 -5.904 7.177 1.00 0.00 O ATOM 181 CB THR A 13 -6.106 -4.272 8.166 1.00 0.00 C ATOM 182 OG1 THR A 13 -6.515 -2.897 8.172 1.00 0.00 O ATOM 183 CG2 THR A 13 -6.936 -5.043 9.184 1.00 0.00 C ATOM 0 H THR A 13 -3.832 -3.559 6.719 1.00 0.00 H new ATOM 0 HA THR A 13 -4.448 -4.176 9.547 1.00 0.00 H new ATOM 0 HB THR A 13 -6.270 -4.714 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.472 -2.839 7.969 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.993 -4.959 8.930 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.642 -6.093 9.173 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.768 -4.630 10.178 1.00 0.00 H new ATOM 191 N ASN A 14 -4.414 -6.735 8.977 1.00 0.00 N ATOM 192 CA ASN A 14 -4.015 -8.127 8.767 1.00 0.00 C ATOM 193 C ASN A 14 -2.524 -8.315 9.041 1.00 0.00 C ATOM 194 O ASN A 14 -1.955 -9.365 8.756 1.00 0.00 O ATOM 195 CB ASN A 14 -4.347 -8.546 7.333 1.00 0.00 C ATOM 196 CG ASN A 14 -4.792 -9.994 7.218 1.00 0.00 C ATOM 197 OD1 ASN A 14 -4.378 -10.850 7.997 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.631 -10.279 6.235 1.00 0.00 N ATOM 0 H ASN A 14 -4.976 -6.589 9.816 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.567 -8.757 9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.134 -7.899 6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.470 -8.392 6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.956 -11.237 6.104 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.952 -9.541 5.609 1.00 0.00 H new ATOM 205 N GLY A 15 -1.899 -7.289 9.601 1.00 0.00 N ATOM 206 CA GLY A 15 -0.479 -7.344 9.897 1.00 0.00 C ATOM 207 C GLY A 15 0.338 -6.715 8.793 1.00 0.00 C ATOM 208 O GLY A 15 1.566 -6.796 8.788 1.00 0.00 O ATOM 0 H GLY A 15 -2.353 -6.412 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.281 -6.829 10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.174 -8.382 10.032 1.00 0.00 H new ATOM 212 N GLY A 16 -0.357 -6.075 7.864 1.00 0.00 N ATOM 213 CA GLY A 16 0.301 -5.445 6.742 1.00 0.00 C ATOM 214 C GLY A 16 -0.031 -6.150 5.449 1.00 0.00 C ATOM 215 O GLY A 16 0.727 -6.098 4.485 1.00 0.00 O ATOM 0 H GLY A 16 -1.373 -5.981 7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.003 -4.400 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.380 -5.454 6.898 1.00 0.00 H new ATOM 219 N ARG A 17 -1.185 -6.804 5.432 1.00 0.00 N ATOM 220 CA ARG A 17 -1.627 -7.548 4.267 1.00 0.00 C ATOM 221 C ARG A 17 -2.784 -6.835 3.587 1.00 0.00 C ATOM 222 O ARG A 17 -3.071 -7.079 2.421 1.00 0.00 O ATOM 223 CB ARG A 17 -2.069 -8.958 4.676 1.00 0.00 C ATOM 224 CG ARG A 17 -1.232 -9.571 5.793 1.00 0.00 C ATOM 225 CD ARG A 17 -1.558 -11.042 5.999 1.00 0.00 C ATOM 226 NE ARG A 17 -1.525 -11.805 4.751 1.00 0.00 N ATOM 227 CZ ARG A 17 -2.296 -12.868 4.522 1.00 0.00 C ATOM 228 NH1 ARG A 17 -3.085 -13.329 5.485 1.00 0.00 N ATOM 229 NH2 ARG A 17 -2.276 -13.474 3.341 1.00 0.00 N ATOM 0 H ARG A 17 -1.833 -6.832 6.219 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.792 -7.618 3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.111 -8.923 4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.024 -9.609 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.174 -9.463 5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.408 -9.026 6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.846 -11.473 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.546 -11.132 6.450 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.879 -11.508 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.100 -12.870 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.677 -14.142 5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.667 -13.127 2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.869 -14.287 3.175 1.00 0.00 H new ATOM 243 N THR A 18 -3.430 -5.938 4.315 1.00 0.00 N ATOM 244 CA THR A 18 -4.567 -5.211 3.784 1.00 0.00 C ATOM 245 C THR A 18 -4.397 -3.705 3.955 1.00 0.00 C ATOM 246 O THR A 18 -4.123 -3.220 5.048 1.00 0.00 O ATOM 247 CB THR A 18 -5.872 -5.649 4.480 1.00 0.00 C ATOM 248 OG1 THR A 18 -6.033 -7.071 4.378 1.00 0.00 O ATOM 249 CG2 THR A 18 -7.077 -4.943 3.873 1.00 0.00 C ATOM 0 H THR A 18 -3.185 -5.697 5.275 1.00 0.00 H new ATOM 0 HA THR A 18 -4.624 -5.442 2.720 1.00 0.00 H new ATOM 0 HB THR A 18 -5.806 -5.371 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.266 -7.309 3.456 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.984 -5.269 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.964 -3.865 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.147 -5.188 2.813 1.00 0.00 H new ATOM 257 N LEU A 19 -4.532 -2.984 2.859 1.00 0.00 N ATOM 258 CA LEU A 19 -4.434 -1.538 2.858 1.00 0.00 C ATOM 259 C LEU A 19 -5.826 -0.917 2.895 1.00 0.00 C ATOM 260 O LEU A 19 -6.574 -0.989 1.918 1.00 0.00 O ATOM 261 CB LEU A 19 -3.689 -1.080 1.607 1.00 0.00 C ATOM 262 CG LEU A 19 -3.693 0.426 1.343 1.00 0.00 C ATOM 263 CD1 LEU A 19 -2.962 1.169 2.447 1.00 0.00 C ATOM 264 CD2 LEU A 19 -3.071 0.713 -0.009 1.00 0.00 C ATOM 0 H LEU A 19 -4.714 -3.387 1.940 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.886 -1.215 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.654 -1.414 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.125 -1.582 0.743 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.724 0.779 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.978 2.239 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.454 0.979 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.929 0.824 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.077 1.788 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.044 0.348 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.644 0.210 -0.788 1.00 0.00 H new ATOM 276 N ARG A 20 -6.179 -0.329 4.026 1.00 0.00 N ATOM 277 CA ARG A 20 -7.480 0.305 4.181 1.00 0.00 C ATOM 278 C ARG A 20 -7.315 1.821 4.104 1.00 0.00 C ATOM 279 O ARG A 20 -6.584 2.407 4.899 1.00 0.00 O ATOM 280 CB ARG A 20 -8.083 -0.103 5.534 1.00 0.00 C ATOM 281 CG ARG A 20 -9.602 0.004 5.629 1.00 0.00 C ATOM 282 CD ARG A 20 -10.099 1.445 5.602 1.00 0.00 C ATOM 283 NE ARG A 20 -9.459 2.275 6.625 1.00 0.00 N ATOM 284 CZ ARG A 20 -10.003 2.563 7.811 1.00 0.00 C ATOM 285 NH1 ARG A 20 -11.164 2.034 8.168 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.372 3.375 8.649 1.00 0.00 N ATOM 0 H ARG A 20 -5.583 -0.277 4.852 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.151 -0.016 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.794 -1.132 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.642 0.520 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.052 -0.546 4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.938 -0.473 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.908 1.874 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.179 1.457 5.751 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.537 2.659 6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.652 1.400 7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.570 2.261 9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.473 3.779 8.388 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.786 3.596 9.555 1.00 0.00 H new ATOM 300 N ALA A 21 -8.009 2.454 3.172 1.00 0.00 N ATOM 301 CA ALA A 21 -7.927 3.898 3.009 1.00 0.00 C ATOM 302 C ALA A 21 -9.261 4.460 2.545 1.00 0.00 C ATOM 303 O ALA A 21 -9.921 3.882 1.685 1.00 0.00 O ATOM 304 CB ALA A 21 -6.830 4.264 2.025 1.00 0.00 C ATOM 0 H ALA A 21 -8.637 1.990 2.515 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.684 4.337 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.785 5.348 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.873 3.896 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.044 3.811 1.057 1.00 0.00 H new ATOM 310 N GLU A 22 -9.662 5.578 3.117 1.00 0.00 N ATOM 311 CA GLU A 22 -10.922 6.194 2.748 1.00 0.00 C ATOM 312 C GLU A 22 -10.687 7.319 1.746 1.00 0.00 C ATOM 313 O GLU A 22 -10.130 8.361 2.089 1.00 0.00 O ATOM 314 CB GLU A 22 -11.635 6.732 3.988 1.00 0.00 C ATOM 315 CG GLU A 22 -11.600 5.792 5.178 1.00 0.00 C ATOM 316 CD GLU A 22 -12.719 6.062 6.159 1.00 0.00 C ATOM 317 OE1 GLU A 22 -12.582 6.984 6.987 1.00 0.00 O ATOM 318 OE2 GLU A 22 -13.743 5.349 6.101 1.00 0.00 O ATOM 0 H GLU A 22 -9.137 6.077 3.836 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.555 5.438 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.179 7.680 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.674 6.942 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.669 4.763 4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.642 5.891 5.688 1.00 0.00 H new ATOM 325 N CYS A 23 -11.118 7.111 0.512 1.00 0.00 N ATOM 326 CA CYS A 23 -10.946 8.102 -0.535 1.00 0.00 C ATOM 327 C CYS A 23 -12.285 8.435 -1.193 1.00 0.00 C ATOM 328 O CYS A 23 -13.178 7.595 -1.264 1.00 0.00 O ATOM 329 CB CYS A 23 -9.957 7.589 -1.584 1.00 0.00 C ATOM 330 SG CYS A 23 -9.612 8.768 -2.911 1.00 0.00 S ATOM 0 H CYS A 23 -11.592 6.259 0.211 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.550 9.013 -0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.021 7.331 -1.089 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.351 6.671 -2.021 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.717 9.061 -3.529 1.00 0.00 H new ATOM 336 N ARG A 24 -12.425 9.678 -1.635 1.00 0.00 N ATOM 337 CA ARG A 24 -13.641 10.132 -2.297 1.00 0.00 C ATOM 338 C ARG A 24 -13.698 9.558 -3.712 1.00 0.00 C ATOM 339 O ARG A 24 -12.665 9.359 -4.351 1.00 0.00 O ATOM 340 CB ARG A 24 -13.716 11.676 -2.302 1.00 0.00 C ATOM 341 CG ARG A 24 -13.611 12.325 -3.677 1.00 0.00 C ATOM 342 CD ARG A 24 -12.186 12.318 -4.199 1.00 0.00 C ATOM 343 NE ARG A 24 -12.124 11.980 -5.620 1.00 0.00 N ATOM 344 CZ ARG A 24 -11.094 12.292 -6.408 1.00 0.00 C ATOM 345 NH1 ARG A 24 -10.061 12.973 -5.917 1.00 0.00 N ATOM 346 NH2 ARG A 24 -11.091 11.931 -7.685 1.00 0.00 N ATOM 0 H ARG A 24 -11.705 10.395 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.509 9.771 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.658 11.980 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.916 12.065 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.257 11.797 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.973 13.352 -3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.737 13.298 -4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.595 11.600 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.911 11.478 -6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.057 13.257 -4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.274 13.211 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.880 11.411 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.300 12.173 -8.282 1.00 0.00 H new ATOM 360 N ASN A 25 -14.897 9.255 -4.180 1.00 0.00 N ATOM 361 CA ASN A 25 -15.077 8.693 -5.514 1.00 0.00 C ATOM 362 C ASN A 25 -15.160 9.780 -6.577 1.00 0.00 C ATOM 363 O ASN A 25 -14.866 10.943 -6.304 1.00 0.00 O ATOM 364 CB ASN A 25 -16.323 7.807 -5.561 1.00 0.00 C ATOM 365 CG ASN A 25 -17.596 8.501 -5.107 1.00 0.00 C ATOM 366 OD1 ASN A 25 -17.735 9.717 -5.225 1.00 0.00 O ATOM 367 ND2 ASN A 25 -18.542 7.727 -4.601 1.00 0.00 N ATOM 0 H ASN A 25 -15.763 9.388 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.201 8.082 -5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.462 7.448 -6.581 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.156 6.931 -4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.424 8.135 -4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.389 6.722 -4.519 1.00 0.00 H new ATOM 374 N ALA A 26 -15.555 9.397 -7.783 1.00 0.00 N ATOM 375 CA ALA A 26 -15.672 10.342 -8.889 1.00 0.00 C ATOM 376 C ALA A 26 -16.730 11.404 -8.601 1.00 0.00 C ATOM 377 O ALA A 26 -16.601 12.560 -9.009 1.00 0.00 O ATOM 378 CB ALA A 26 -15.996 9.604 -10.177 1.00 0.00 C ATOM 0 H ALA A 26 -15.801 8.436 -8.023 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.714 10.849 -9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.081 10.320 -10.995 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.201 8.892 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.939 9.070 -10.063 1.00 0.00 H new ATOM 384 N ASP A 27 -17.768 11.008 -7.879 1.00 0.00 N ATOM 385 CA ASP A 27 -18.854 11.918 -7.531 1.00 0.00 C ATOM 386 C ASP A 27 -18.402 12.925 -6.480 1.00 0.00 C ATOM 387 O ASP A 27 -18.949 14.024 -6.373 1.00 0.00 O ATOM 388 CB ASP A 27 -20.050 11.126 -7.006 1.00 0.00 C ATOM 389 CG ASP A 27 -21.210 12.018 -6.613 1.00 0.00 C ATOM 390 OD1 ASP A 27 -21.886 12.557 -7.514 1.00 0.00 O ATOM 391 OD2 ASP A 27 -21.455 12.179 -5.402 1.00 0.00 O ATOM 0 H ASP A 27 -17.883 10.060 -7.521 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.146 12.462 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -20.380 10.423 -7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.741 10.537 -6.143 1.00 0.00 H new ATOM 396 N GLY A 28 -17.389 12.549 -5.721 1.00 0.00 N ATOM 397 CA GLY A 28 -16.883 13.413 -4.681 1.00 0.00 C ATOM 398 C GLY A 28 -17.303 12.932 -3.312 1.00 0.00 C ATOM 399 O GLY A 28 -17.022 13.571 -2.300 1.00 0.00 O ATOM 0 H GLY A 28 -16.905 11.655 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.795 13.453 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.248 14.428 -4.839 1.00 0.00 H new ATOM 403 N ASN A 29 -17.967 11.786 -3.287 1.00 0.00 N ATOM 404 CA ASN A 29 -18.438 11.202 -2.040 1.00 0.00 C ATOM 405 C ASN A 29 -17.327 10.405 -1.380 1.00 0.00 C ATOM 406 O ASN A 29 -16.577 9.701 -2.052 1.00 0.00 O ATOM 407 CB ASN A 29 -19.652 10.300 -2.283 1.00 0.00 C ATOM 408 CG ASN A 29 -20.955 10.946 -1.851 1.00 0.00 C ATOM 409 OD1 ASN A 29 -21.351 10.845 -0.689 1.00 0.00 O ATOM 410 ND2 ASN A 29 -21.637 11.600 -2.776 1.00 0.00 N ATOM 0 H ASN A 29 -18.192 11.241 -4.119 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.738 12.014 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.708 10.051 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.518 9.363 -1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.524 12.043 -2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.276 11.662 -3.728 1.00 0.00 H new ATOM 417 N TRP A 30 -17.223 10.525 -0.068 1.00 0.00 N ATOM 418 CA TRP A 30 -16.201 9.819 0.688 1.00 0.00 C ATOM 419 C TRP A 30 -16.516 8.329 0.773 1.00 0.00 C ATOM 420 O TRP A 30 -17.577 7.937 1.256 1.00 0.00 O ATOM 421 CB TRP A 30 -16.077 10.425 2.083 1.00 0.00 C ATOM 422 CG TRP A 30 -15.310 11.712 2.107 1.00 0.00 C ATOM 423 CD1 TRP A 30 -14.724 12.341 1.045 1.00 0.00 C ATOM 424 CD2 TRP A 30 -15.029 12.517 3.256 1.00 0.00 C ATOM 425 NE1 TRP A 30 -14.096 13.486 1.464 1.00 0.00 N ATOM 426 CE2 TRP A 30 -14.270 13.618 2.818 1.00 0.00 C ATOM 427 CE3 TRP A 30 -15.348 12.416 4.612 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -13.826 14.609 3.689 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -14.906 13.399 5.477 1.00 0.00 C ATOM 430 CH2 TRP A 30 -14.152 14.482 5.012 1.00 0.00 C ATOM 0 H TRP A 30 -17.838 11.108 0.500 1.00 0.00 H new ATOM 0 HA TRP A 30 -15.248 9.927 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -17.075 10.598 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.588 9.707 2.741 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.751 11.988 0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -13.583 14.134 0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -15.930 11.584 4.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -13.245 15.447 3.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -15.146 13.330 6.528 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -13.820 15.234 5.712 1.00 0.00 H new ATOM 441 N VAL A 31 -15.591 7.508 0.291 1.00 0.00 N ATOM 442 CA VAL A 31 -15.766 6.060 0.281 1.00 0.00 C ATOM 443 C VAL A 31 -14.627 5.368 1.024 1.00 0.00 C ATOM 444 O VAL A 31 -13.515 5.890 1.087 1.00 0.00 O ATOM 445 CB VAL A 31 -15.792 5.527 -1.172 1.00 0.00 C ATOM 446 CG1 VAL A 31 -16.309 4.098 -1.228 1.00 0.00 C ATOM 447 CG2 VAL A 31 -16.610 6.439 -2.067 1.00 0.00 C ATOM 0 H VAL A 31 -14.704 7.824 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 31 -16.712 5.843 0.777 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.767 5.520 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.315 3.753 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.661 3.453 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.322 4.062 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.614 6.044 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.633 6.492 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.172 7.437 -2.067 1.00 0.00 H new ATOM 457 N THR A 32 -14.914 4.220 1.611 1.00 0.00 N ATOM 458 CA THR A 32 -13.902 3.444 2.305 1.00 0.00 C ATOM 459 C THR A 32 -13.420 2.323 1.381 1.00 0.00 C ATOM 460 O THR A 32 -14.152 1.364 1.125 1.00 0.00 O ATOM 461 CB THR A 32 -14.461 2.845 3.608 1.00 0.00 C ATOM 462 OG1 THR A 32 -15.138 3.862 4.365 1.00 0.00 O ATOM 463 CG2 THR A 32 -13.344 2.242 4.448 1.00 0.00 C ATOM 0 H THR A 32 -15.845 3.803 1.621 1.00 0.00 H new ATOM 0 HA THR A 32 -13.071 4.099 2.567 1.00 0.00 H new ATOM 0 HB THR A 32 -15.166 2.056 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.563 4.159 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.762 1.825 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.849 1.452 3.882 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.620 3.016 4.700 1.00 0.00 H new ATOM 471 N SER A 33 -12.191 2.432 0.900 1.00 0.00 N ATOM 472 CA SER A 33 -11.650 1.450 -0.028 1.00 0.00 C ATOM 473 C SER A 33 -10.571 0.597 0.630 1.00 0.00 C ATOM 474 O SER A 33 -9.755 1.089 1.411 1.00 0.00 O ATOM 475 CB SER A 33 -11.073 2.169 -1.246 1.00 0.00 C ATOM 476 OG SER A 33 -11.937 3.210 -1.676 1.00 0.00 O ATOM 0 H SER A 33 -11.550 3.189 1.136 1.00 0.00 H new ATOM 0 HA SER A 33 -12.458 0.786 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.094 2.581 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.924 1.456 -2.057 1.00 0.00 H new ATOM 0 HG SER A 33 -12.539 2.870 -2.371 1.00 0.00 H new ATOM 482 N GLU A 34 -10.593 -0.693 0.329 1.00 0.00 N ATOM 483 CA GLU A 34 -9.630 -1.626 0.882 1.00 0.00 C ATOM 484 C GLU A 34 -9.006 -2.481 -0.213 1.00 0.00 C ATOM 485 O GLU A 34 -9.712 -3.035 -1.054 1.00 0.00 O ATOM 486 CB GLU A 34 -10.324 -2.532 1.892 1.00 0.00 C ATOM 487 CG GLU A 34 -11.340 -1.801 2.745 1.00 0.00 C ATOM 488 CD GLU A 34 -12.022 -2.701 3.749 1.00 0.00 C ATOM 489 OE1 GLU A 34 -11.340 -3.222 4.651 1.00 0.00 O ATOM 490 OE2 GLU A 34 -13.248 -2.900 3.633 1.00 0.00 O ATOM 0 H GLU A 34 -11.274 -1.117 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.840 -1.055 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.821 -3.344 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.574 -2.986 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.845 -0.986 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.093 -1.351 2.098 1.00 0.00 H new ATOM 497 N LEU A 35 -7.689 -2.582 -0.194 1.00 0.00 N ATOM 498 CA LEU A 35 -6.965 -3.391 -1.163 1.00 0.00 C ATOM 499 C LEU A 35 -5.959 -4.271 -0.454 1.00 0.00 C ATOM 500 O LEU A 35 -5.118 -3.792 0.307 1.00 0.00 O ATOM 501 CB LEU A 35 -6.260 -2.519 -2.213 1.00 0.00 C ATOM 502 CG LEU A 35 -5.145 -3.215 -3.018 1.00 0.00 C ATOM 503 CD1 LEU A 35 -5.660 -4.456 -3.743 1.00 0.00 C ATOM 504 CD2 LEU A 35 -4.529 -2.243 -4.010 1.00 0.00 C ATOM 0 H LEU A 35 -7.094 -2.111 0.487 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.689 -4.017 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.009 -2.146 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.833 -1.651 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.381 -3.540 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.844 -4.918 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.051 -5.167 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.454 -4.171 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.743 -2.747 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.297 -1.889 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.104 -1.395 -3.473 1.00 0.00 H new ATOM 516 N ASP A 36 -6.071 -5.560 -0.689 1.00 0.00 N ATOM 517 CA ASP A 36 -5.173 -6.517 -0.098 1.00 0.00 C ATOM 518 C ASP A 36 -3.805 -6.420 -0.748 1.00 0.00 C ATOM 519 O ASP A 36 -3.620 -6.787 -1.906 1.00 0.00 O ATOM 520 CB ASP A 36 -5.737 -7.923 -0.253 1.00 0.00 C ATOM 521 CG ASP A 36 -6.889 -8.194 0.691 1.00 0.00 C ATOM 522 OD1 ASP A 36 -6.723 -8.000 1.918 1.00 0.00 O ATOM 523 OD2 ASP A 36 -7.969 -8.593 0.211 1.00 0.00 O ATOM 0 H ASP A 36 -6.785 -5.969 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.068 -6.297 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.073 -8.065 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.945 -8.650 -0.073 1.00 0.00 H new ATOM 528 N LEU A 37 -2.854 -5.897 0.000 1.00 0.00 N ATOM 529 CA LEU A 37 -1.492 -5.751 -0.478 1.00 0.00 C ATOM 530 C LEU A 37 -0.923 -7.100 -0.805 1.00 0.00 C ATOM 531 O LEU A 37 -0.255 -7.286 -1.808 1.00 0.00 O ATOM 532 CB LEU A 37 -0.643 -5.122 0.594 1.00 0.00 C ATOM 533 CG LEU A 37 -1.135 -3.783 1.059 1.00 0.00 C ATOM 534 CD1 LEU A 37 -0.440 -3.440 2.340 1.00 0.00 C ATOM 535 CD2 LEU A 37 -0.918 -2.725 -0.009 1.00 0.00 C ATOM 0 H LEU A 37 -3.002 -5.562 0.952 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.497 -5.122 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.597 -5.797 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.375 -5.013 0.219 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.209 -3.821 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.786 -2.468 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.663 -4.199 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.636 -3.402 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.283 -1.763 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.146 -2.648 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.461 -3.003 -0.912 1.00 0.00 H new ATOM 547 N ASP A 38 -1.219 -8.049 0.054 1.00 0.00 N ATOM 548 CA ASP A 38 -0.752 -9.413 -0.122 1.00 0.00 C ATOM 549 C ASP A 38 -1.336 -10.016 -1.392 1.00 0.00 C ATOM 550 O ASP A 38 -0.981 -11.121 -1.769 1.00 0.00 O ATOM 551 CB ASP A 38 -1.115 -10.292 1.077 1.00 0.00 C ATOM 552 CG ASP A 38 -2.504 -10.893 0.966 1.00 0.00 C ATOM 553 OD1 ASP A 38 -3.489 -10.134 0.961 1.00 0.00 O ATOM 554 OD2 ASP A 38 -2.611 -12.134 0.881 1.00 0.00 O ATOM 0 H ASP A 38 -1.786 -7.903 0.889 1.00 0.00 H new ATOM 0 HA ASP A 38 0.334 -9.377 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.383 -11.094 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.053 -9.698 1.989 1.00 0.00 H new ATOM 559 N THR A 39 -2.234 -9.299 -2.051 1.00 0.00 N ATOM 560 CA THR A 39 -2.840 -9.825 -3.259 1.00 0.00 C ATOM 561 C THR A 39 -2.248 -9.169 -4.514 1.00 0.00 C ATOM 562 O THR A 39 -2.435 -9.660 -5.627 1.00 0.00 O ATOM 563 CB THR A 39 -4.384 -9.686 -3.224 1.00 0.00 C ATOM 564 OG1 THR A 39 -4.995 -10.869 -3.752 1.00 0.00 O ATOM 565 CG2 THR A 39 -4.869 -8.477 -4.007 1.00 0.00 C ATOM 0 H THR A 39 -2.553 -8.370 -1.775 1.00 0.00 H new ATOM 0 HA THR A 39 -2.608 -10.889 -3.305 1.00 0.00 H new ATOM 0 HB THR A 39 -4.672 -9.548 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.970 -10.774 -3.725 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.956 -8.421 -3.954 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.438 -7.571 -3.581 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.561 -8.571 -5.048 1.00 0.00 H new ATOM 573 N ILE A 40 -1.491 -8.086 -4.332 1.00 0.00 N ATOM 574 CA ILE A 40 -0.889 -7.382 -5.466 1.00 0.00 C ATOM 575 C ILE A 40 0.508 -6.854 -5.143 1.00 0.00 C ATOM 576 O ILE A 40 1.059 -6.045 -5.878 1.00 0.00 O ATOM 577 CB ILE A 40 -1.784 -6.214 -5.949 1.00 0.00 C ATOM 578 CG1 ILE A 40 -2.221 -5.329 -4.775 1.00 0.00 C ATOM 579 CG2 ILE A 40 -2.998 -6.741 -6.695 1.00 0.00 C ATOM 580 CD1 ILE A 40 -1.257 -4.214 -4.442 1.00 0.00 C ATOM 0 H ILE A 40 -1.281 -7.680 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.800 -8.117 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.194 -5.603 -6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.194 -4.895 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.352 -5.955 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.613 -5.904 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.671 -7.316 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.582 -7.382 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.643 -3.638 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.288 -4.638 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.143 -3.561 -5.307 1.00 0.00 H new ATOM 592 N ILE A 41 1.070 -7.300 -4.039 1.00 0.00 N ATOM 593 CA ILE A 41 2.400 -6.866 -3.626 1.00 0.00 C ATOM 594 C ILE A 41 3.276 -8.076 -3.355 1.00 0.00 C ATOM 595 O ILE A 41 2.850 -9.006 -2.674 1.00 0.00 O ATOM 596 CB ILE A 41 2.341 -5.972 -2.370 1.00 0.00 C ATOM 597 CG1 ILE A 41 1.557 -4.692 -2.668 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.729 -5.635 -1.848 1.00 0.00 C ATOM 599 CD1 ILE A 41 1.977 -3.515 -1.817 1.00 0.00 C ATOM 0 H ILE A 41 0.629 -7.966 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 41 2.827 -6.277 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 41 1.827 -6.533 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.685 -4.434 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.495 -4.882 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.642 -5.004 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.253 -6.555 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.288 -5.104 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.380 -2.643 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.823 -3.754 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.031 -3.299 -1.990 1.00 0.00 H new ATOM 611 N GLY A 42 4.481 -8.075 -3.898 1.00 0.00 N ATOM 612 CA GLY A 42 5.373 -9.197 -3.701 1.00 0.00 C ATOM 613 C GLY A 42 6.736 -8.774 -3.206 1.00 0.00 C ATOM 614 O GLY A 42 7.134 -7.624 -3.378 1.00 0.00 O ATOM 0 H GLY A 42 4.858 -7.320 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.929 -9.889 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.483 -9.738 -4.641 1.00 0.00 H new ATOM 618 N ASN A 43 7.434 -9.700 -2.571 1.00 0.00 N ATOM 619 CA ASN A 43 8.771 -9.443 -2.055 1.00 0.00 C ATOM 620 C ASN A 43 9.796 -10.229 -2.856 1.00 0.00 C ATOM 621 O ASN A 43 9.847 -11.457 -2.782 1.00 0.00 O ATOM 622 CB ASN A 43 8.862 -9.816 -0.570 1.00 0.00 C ATOM 623 CG ASN A 43 10.295 -9.951 -0.071 1.00 0.00 C ATOM 624 OD1 ASN A 43 11.217 -9.293 -0.564 1.00 0.00 O ATOM 625 ND2 ASN A 43 10.490 -10.806 0.917 1.00 0.00 N ATOM 0 H ASN A 43 7.094 -10.646 -2.398 1.00 0.00 H new ATOM 0 HA ASN A 43 8.981 -8.378 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.349 -9.057 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.337 -10.757 -0.406 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.427 -10.940 1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.704 -11.332 1.299 1.00 0.00 H new ATOM 632 N ASN A 44 10.595 -9.521 -3.630 1.00 0.00 N ATOM 633 CA ASN A 44 11.623 -10.156 -4.439 1.00 0.00 C ATOM 634 C ASN A 44 12.994 -9.969 -3.797 1.00 0.00 C ATOM 635 O ASN A 44 13.701 -9.007 -4.096 1.00 0.00 O ATOM 636 CB ASN A 44 11.612 -9.593 -5.866 1.00 0.00 C ATOM 637 CG ASN A 44 12.679 -10.208 -6.761 1.00 0.00 C ATOM 638 OD1 ASN A 44 12.996 -11.480 -6.550 1.00 0.00 O flip ATOM 639 ND2 ASN A 44 13.202 -9.543 -7.652 1.00 0.00 N flip ATOM 0 H ASN A 44 10.554 -8.506 -3.717 1.00 0.00 H new ATOM 0 HA ASN A 44 11.410 -11.224 -4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.631 -9.765 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.759 -8.514 -5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.934 -8.568 -7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.904 -9.966 -8.259 1.00 0.00 H new ATOM 646 N ASP A 45 13.339 -10.888 -2.894 1.00 0.00 N ATOM 647 CA ASP A 45 14.628 -10.874 -2.190 1.00 0.00 C ATOM 648 C ASP A 45 14.964 -9.503 -1.612 1.00 0.00 C ATOM 649 O ASP A 45 16.029 -8.946 -1.890 1.00 0.00 O ATOM 650 CB ASP A 45 15.758 -11.333 -3.115 1.00 0.00 C ATOM 651 CG ASP A 45 15.911 -12.838 -3.142 1.00 0.00 C ATOM 652 OD1 ASP A 45 15.147 -13.509 -3.871 1.00 0.00 O ATOM 653 OD2 ASP A 45 16.799 -13.361 -2.433 1.00 0.00 O ATOM 0 H ASP A 45 12.734 -11.665 -2.628 1.00 0.00 H new ATOM 0 HA ASP A 45 14.532 -11.571 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.565 -10.973 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.695 -10.882 -2.790 1.00 0.00 H new ATOM 658 N GLY A 46 14.063 -8.958 -0.810 1.00 0.00 N ATOM 659 CA GLY A 46 14.311 -7.666 -0.216 1.00 0.00 C ATOM 660 C GLY A 46 14.037 -6.537 -1.182 1.00 0.00 C ATOM 661 O GLY A 46 14.808 -5.581 -1.268 1.00 0.00 O ATOM 0 H GLY A 46 13.171 -9.385 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.684 -7.547 0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.347 -7.614 0.118 1.00 0.00 H new ATOM 665 N HIS A 47 12.947 -6.657 -1.927 1.00 0.00 N ATOM 666 CA HIS A 47 12.562 -5.633 -2.887 1.00 0.00 C ATOM 667 C HIS A 47 11.077 -5.744 -3.203 1.00 0.00 C ATOM 668 O HIS A 47 10.623 -6.774 -3.696 1.00 0.00 O ATOM 669 CB HIS A 47 13.386 -5.772 -4.171 1.00 0.00 C ATOM 670 CG HIS A 47 13.170 -4.662 -5.153 1.00 0.00 C ATOM 671 ND1 HIS A 47 13.657 -3.392 -4.959 1.00 0.00 N ATOM 672 CD2 HIS A 47 12.515 -4.635 -6.337 1.00 0.00 C ATOM 673 CE1 HIS A 47 13.320 -2.632 -5.981 1.00 0.00 C ATOM 674 NE2 HIS A 47 12.624 -3.360 -6.834 1.00 0.00 N ATOM 0 H HIS A 47 12.313 -7.455 -1.885 1.00 0.00 H new ATOM 0 HA HIS A 47 12.758 -4.653 -2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 47 14.444 -5.813 -3.910 1.00 0.00 H new ATOM 0 HB3 HIS A 47 13.139 -6.720 -4.649 1.00 0.00 H new ATOM 0 HD2 HIS A 47 12.002 -5.463 -6.804 1.00 0.00 H new ATOM 0 HE1 HIS A 47 13.571 -1.588 -6.101 1.00 0.00 H new ATOM 0 HE2 HIS A 47 12.232 -3.030 -7.716 1.00 0.00 H new ATOM 683 N PHE A 48 10.323 -4.696 -2.893 1.00 0.00 N ATOM 684 CA PHE A 48 8.891 -4.686 -3.163 1.00 0.00 C ATOM 685 C PHE A 48 8.624 -4.741 -4.657 1.00 0.00 C ATOM 686 O PHE A 48 9.285 -4.065 -5.448 1.00 0.00 O ATOM 687 CB PHE A 48 8.221 -3.449 -2.572 1.00 0.00 C ATOM 688 CG PHE A 48 8.068 -3.494 -1.082 1.00 0.00 C ATOM 689 CD1 PHE A 48 7.191 -4.392 -0.490 1.00 0.00 C ATOM 690 CD2 PHE A 48 8.787 -2.633 -0.273 1.00 0.00 C ATOM 691 CE1 PHE A 48 7.040 -4.427 0.882 1.00 0.00 C ATOM 692 CE2 PHE A 48 8.640 -2.666 1.098 1.00 0.00 C ATOM 693 CZ PHE A 48 7.766 -3.564 1.678 1.00 0.00 C ATOM 0 H PHE A 48 10.678 -3.845 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 48 8.467 -5.571 -2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.805 -2.568 -2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.237 -3.330 -3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.621 -5.070 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.471 -1.927 -0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.354 -5.129 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.209 -1.989 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.651 -3.591 2.751 1.00 0.00 H new ATOM 703 N GLN A 49 7.653 -5.548 -5.036 1.00 0.00 N ATOM 704 CA GLN A 49 7.291 -5.702 -6.422 1.00 0.00 C ATOM 705 C GLN A 49 5.788 -5.571 -6.591 1.00 0.00 C ATOM 706 O GLN A 49 5.016 -6.367 -6.047 1.00 0.00 O ATOM 707 CB GLN A 49 7.783 -7.055 -6.948 1.00 0.00 C ATOM 708 CG GLN A 49 7.034 -7.538 -8.179 1.00 0.00 C ATOM 709 CD GLN A 49 7.743 -8.665 -8.901 1.00 0.00 C ATOM 710 OE1 GLN A 49 9.067 -8.650 -8.876 1.00 0.00 O flip ATOM 711 NE2 GLN A 49 7.104 -9.533 -9.493 1.00 0.00 N flip ATOM 0 H GLN A 49 7.098 -6.111 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 49 7.769 -4.913 -7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.844 -6.979 -7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.685 -7.800 -6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.039 -7.872 -7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.899 -6.703 -8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.084 -9.508 -9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.594 -10.278 -9.989 1.00 0.00 H new ATOM 720 N TRP A 50 5.376 -4.540 -7.312 1.00 0.00 N ATOM 721 CA TRP A 50 3.968 -4.322 -7.569 1.00 0.00 C ATOM 722 C TRP A 50 3.449 -5.408 -8.502 1.00 0.00 C ATOM 723 O TRP A 50 3.899 -5.534 -9.640 1.00 0.00 O ATOM 724 CB TRP A 50 3.735 -2.933 -8.174 1.00 0.00 C ATOM 725 CG TRP A 50 3.907 -1.812 -7.192 1.00 0.00 C ATOM 726 CD1 TRP A 50 4.927 -0.901 -7.140 1.00 0.00 C ATOM 727 CD2 TRP A 50 3.023 -1.484 -6.115 1.00 0.00 C ATOM 728 NE1 TRP A 50 4.723 -0.024 -6.097 1.00 0.00 N ATOM 729 CE2 TRP A 50 3.564 -0.365 -5.455 1.00 0.00 C ATOM 730 CE3 TRP A 50 1.825 -2.026 -5.648 1.00 0.00 C ATOM 731 CZ2 TRP A 50 2.946 0.221 -4.355 1.00 0.00 C ATOM 732 CZ3 TRP A 50 1.214 -1.445 -4.556 1.00 0.00 C ATOM 733 CH2 TRP A 50 1.774 -0.333 -3.920 1.00 0.00 C ATOM 0 H TRP A 50 5.997 -3.845 -7.727 1.00 0.00 H new ATOM 0 HA TRP A 50 3.423 -4.370 -6.626 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.427 -2.787 -9.004 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.727 -2.891 -8.588 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.768 -0.874 -7.817 1.00 0.00 H new ATOM 0 HE1 TRP A 50 5.335 0.752 -5.845 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.384 -2.885 -6.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.376 1.081 -3.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.287 -1.857 -4.186 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.270 0.098 -3.067 1.00 0.00 H new ATOM 744 N GLY A 51 2.530 -6.209 -7.998 1.00 0.00 N ATOM 745 CA GLY A 51 1.958 -7.283 -8.785 1.00 0.00 C ATOM 746 C GLY A 51 2.587 -8.624 -8.465 1.00 0.00 C ATOM 747 O GLY A 51 2.721 -9.476 -9.342 1.00 0.00 O ATOM 0 H GLY A 51 2.164 -6.136 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.885 -7.334 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.090 -7.065 -9.845 1.00 0.00 H new ATOM 751 N GLY A 52 2.976 -8.811 -7.208 1.00 0.00 N ATOM 752 CA GLY A 52 3.596 -10.060 -6.802 1.00 0.00 C ATOM 753 C GLY A 52 2.662 -10.962 -6.016 1.00 0.00 C ATOM 754 O GLY A 52 2.496 -12.130 -6.362 1.00 0.00 O ATOM 0 H GLY A 52 2.873 -8.121 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.943 -10.591 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.475 -9.842 -6.196 1.00 0.00 H new ATOM 758 N GLN A 53 2.060 -10.406 -4.958 1.00 0.00 N ATOM 759 CA GLN A 53 1.140 -11.137 -4.080 1.00 0.00 C ATOM 760 C GLN A 53 1.899 -12.119 -3.173 1.00 0.00 C ATOM 761 O GLN A 53 2.891 -12.724 -3.583 1.00 0.00 O ATOM 762 CB GLN A 53 0.044 -11.830 -4.906 1.00 0.00 C ATOM 763 CG GLN A 53 -0.709 -12.931 -4.179 1.00 0.00 C ATOM 764 CD GLN A 53 -1.842 -13.503 -5.006 1.00 0.00 C ATOM 765 OE1 GLN A 53 -1.783 -13.519 -6.239 1.00 0.00 O ATOM 766 NE2 GLN A 53 -2.882 -13.977 -4.337 1.00 0.00 N ATOM 0 H GLN A 53 2.198 -9.433 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 53 0.647 -10.423 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.672 -11.077 -5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.498 -12.252 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.015 -13.730 -3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.109 -12.537 -3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.890 -13.944 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.675 -14.375 -4.841 1.00 0.00 H new ATOM 775 N ASN A 54 1.428 -12.228 -1.926 1.00 0.00 N ATOM 776 CA ASN A 54 2.018 -13.103 -0.902 1.00 0.00 C ATOM 777 C ASN A 54 3.355 -12.565 -0.407 1.00 0.00 C ATOM 778 O ASN A 54 4.260 -13.323 -0.067 1.00 0.00 O ATOM 779 CB ASN A 54 2.180 -14.544 -1.399 1.00 0.00 C ATOM 780 CG ASN A 54 0.895 -15.345 -1.305 1.00 0.00 C ATOM 781 OD1 ASN A 54 -0.205 -14.809 -1.432 1.00 0.00 O ATOM 782 ND2 ASN A 54 1.028 -16.636 -1.050 1.00 0.00 N ATOM 0 H ASN A 54 0.617 -11.706 -1.594 1.00 0.00 H new ATOM 0 HA ASN A 54 1.319 -13.113 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.520 -14.531 -2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.956 -15.040 -0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.201 -17.224 -0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.958 -17.043 -0.952 1.00 0.00 H new ATOM 789 N PHE A 55 3.469 -11.251 -0.333 1.00 0.00 N ATOM 790 CA PHE A 55 4.703 -10.632 0.130 1.00 0.00 C ATOM 791 C PHE A 55 4.778 -10.694 1.648 1.00 0.00 C ATOM 792 O PHE A 55 5.859 -10.758 2.220 1.00 0.00 O ATOM 793 CB PHE A 55 4.806 -9.175 -0.354 1.00 0.00 C ATOM 794 CG PHE A 55 4.118 -8.163 0.524 1.00 0.00 C ATOM 795 CD1 PHE A 55 2.745 -7.990 0.464 1.00 0.00 C ATOM 796 CD2 PHE A 55 4.853 -7.377 1.399 1.00 0.00 C ATOM 797 CE1 PHE A 55 2.119 -7.053 1.262 1.00 0.00 C ATOM 798 CE2 PHE A 55 4.231 -6.438 2.197 1.00 0.00 C ATOM 799 CZ PHE A 55 2.862 -6.276 2.128 1.00 0.00 C ATOM 0 H PHE A 55 2.730 -10.594 -0.585 1.00 0.00 H new ATOM 0 HA PHE A 55 5.543 -11.185 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.860 -8.908 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.384 -9.110 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.159 -8.593 -0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.924 -7.501 1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.048 -6.928 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.814 -5.831 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.373 -5.542 2.751 1.00 0.00 H new ATOM 809 N THR A 56 3.615 -10.717 2.287 1.00 0.00 N ATOM 810 CA THR A 56 3.531 -10.754 3.737 1.00 0.00 C ATOM 811 C THR A 56 4.073 -12.059 4.296 1.00 0.00 C ATOM 812 O THR A 56 4.506 -12.119 5.445 1.00 0.00 O ATOM 813 CB THR A 56 2.079 -10.558 4.202 1.00 0.00 C ATOM 814 OG1 THR A 56 1.231 -11.554 3.610 1.00 0.00 O ATOM 815 CG2 THR A 56 1.589 -9.174 3.823 1.00 0.00 C ATOM 0 H THR A 56 2.710 -10.711 1.816 1.00 0.00 H new ATOM 0 HA THR A 56 4.145 -9.937 4.116 1.00 0.00 H new ATOM 0 HB THR A 56 2.044 -10.661 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.065 -12.270 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.559 -9.048 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.220 -8.422 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.635 -9.055 2.740 1.00 0.00 H new ATOM 823 N GLU A 57 4.064 -13.103 3.475 1.00 0.00 N ATOM 824 CA GLU A 57 4.564 -14.398 3.908 1.00 0.00 C ATOM 825 C GLU A 57 6.091 -14.389 3.956 1.00 0.00 C ATOM 826 O GLU A 57 6.717 -15.307 4.484 1.00 0.00 O ATOM 827 CB GLU A 57 4.060 -15.512 2.983 1.00 0.00 C ATOM 828 CG GLU A 57 4.902 -15.736 1.744 1.00 0.00 C ATOM 829 CD GLU A 57 4.546 -17.027 1.038 1.00 0.00 C ATOM 830 OE1 GLU A 57 5.147 -18.071 1.370 1.00 0.00 O ATOM 831 OE2 GLU A 57 3.661 -17.011 0.157 1.00 0.00 O ATOM 0 H GLU A 57 3.719 -13.077 2.515 1.00 0.00 H new ATOM 0 HA GLU A 57 4.187 -14.594 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.016 -16.443 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.041 -15.277 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.767 -14.899 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.956 -15.754 2.021 1.00 0.00 H new ATOM 838 N THR A 58 6.684 -13.342 3.394 1.00 0.00 N ATOM 839 CA THR A 58 8.125 -13.205 3.371 1.00 0.00 C ATOM 840 C THR A 58 8.521 -11.829 3.888 1.00 0.00 C ATOM 841 O THR A 58 9.654 -11.379 3.714 1.00 0.00 O ATOM 842 CB THR A 58 8.670 -13.405 1.943 1.00 0.00 C ATOM 843 OG1 THR A 58 8.088 -12.438 1.062 1.00 0.00 O ATOM 844 CG2 THR A 58 8.346 -14.795 1.427 1.00 0.00 C ATOM 0 H THR A 58 6.181 -12.575 2.948 1.00 0.00 H new ATOM 0 HA THR A 58 8.556 -13.972 4.015 1.00 0.00 H new ATOM 0 HB THR A 58 9.753 -13.282 1.975 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.401 -11.930 1.542 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.742 -14.910 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.798 -15.540 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.265 -14.934 1.411 1.00 0.00 H new ATOM 852 N ALA A 59 7.569 -11.167 4.530 1.00 0.00 N ATOM 853 CA ALA A 59 7.785 -9.840 5.079 1.00 0.00 C ATOM 854 C ALA A 59 7.367 -9.787 6.540 1.00 0.00 C ATOM 855 O ALA A 59 6.513 -10.555 6.983 1.00 0.00 O ATOM 856 CB ALA A 59 7.029 -8.795 4.273 1.00 0.00 C ATOM 0 H ALA A 59 6.630 -11.534 4.683 1.00 0.00 H new ATOM 0 HA ALA A 59 8.850 -9.618 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.205 -7.808 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.378 -8.810 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.962 -9.017 4.299 1.00 0.00 H new ATOM 862 N GLU A 60 7.982 -8.881 7.276 1.00 0.00 N ATOM 863 CA GLU A 60 7.705 -8.703 8.694 1.00 0.00 C ATOM 864 C GLU A 60 7.800 -7.228 9.040 1.00 0.00 C ATOM 865 O GLU A 60 8.221 -6.443 8.204 1.00 0.00 O ATOM 866 CB GLU A 60 8.705 -9.508 9.532 1.00 0.00 C ATOM 867 CG GLU A 60 9.813 -10.150 8.705 1.00 0.00 C ATOM 868 CD GLU A 60 10.784 -10.951 9.541 1.00 0.00 C ATOM 869 OE1 GLU A 60 11.660 -10.345 10.189 1.00 0.00 O ATOM 870 OE2 GLU A 60 10.683 -12.196 9.542 1.00 0.00 O ATOM 0 H GLU A 60 8.690 -8.245 6.909 1.00 0.00 H new ATOM 0 HA GLU A 60 6.700 -9.063 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.153 -8.852 10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.169 -10.287 10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.367 -10.801 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.358 -9.372 8.171 1.00 0.00 H new ATOM 877 N ASP A 61 7.408 -6.861 10.258 1.00 0.00 N ATOM 878 CA ASP A 61 7.461 -5.461 10.713 1.00 0.00 C ATOM 879 C ASP A 61 6.883 -4.530 9.650 1.00 0.00 C ATOM 880 O ASP A 61 7.547 -3.597 9.194 1.00 0.00 O ATOM 881 CB ASP A 61 8.909 -5.067 11.003 1.00 0.00 C ATOM 882 CG ASP A 61 9.044 -3.820 11.848 1.00 0.00 C ATOM 883 OD1 ASP A 61 8.741 -3.876 13.054 1.00 0.00 O ATOM 884 OD2 ASP A 61 9.502 -2.790 11.314 1.00 0.00 O ATOM 0 H ASP A 61 7.048 -7.512 10.955 1.00 0.00 H new ATOM 0 HA ASP A 61 6.867 -5.369 11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.406 -5.894 11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.430 -4.913 10.058 1.00 0.00 H new ATOM 889 N ILE A 62 5.658 -4.799 9.237 1.00 0.00 N ATOM 890 CA ILE A 62 5.028 -4.004 8.199 1.00 0.00 C ATOM 891 C ILE A 62 4.369 -2.753 8.770 1.00 0.00 C ATOM 892 O ILE A 62 3.338 -2.823 9.441 1.00 0.00 O ATOM 893 CB ILE A 62 4.002 -4.853 7.418 1.00 0.00 C ATOM 894 CG1 ILE A 62 4.577 -6.260 7.198 1.00 0.00 C ATOM 895 CG2 ILE A 62 3.672 -4.193 6.089 1.00 0.00 C ATOM 896 CD1 ILE A 62 3.839 -7.088 6.170 1.00 0.00 C ATOM 0 H ILE A 62 5.082 -5.558 9.602 1.00 0.00 H new ATOM 0 HA ILE A 62 5.808 -3.677 7.512 1.00 0.00 H new ATOM 0 HB ILE A 62 3.079 -4.929 7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.619 -6.169 6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.570 -6.794 8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.947 -4.803 5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.251 -3.204 6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.581 -4.098 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.314 -8.065 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.802 -7.216 6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.868 -6.581 5.206 1.00 0.00 H new ATOM 908 N ARG A 63 4.994 -1.609 8.507 1.00 0.00 N ATOM 909 CA ARG A 63 4.508 -0.320 8.965 1.00 0.00 C ATOM 910 C ARG A 63 4.090 0.557 7.797 1.00 0.00 C ATOM 911 O ARG A 63 4.909 0.911 6.945 1.00 0.00 O ATOM 912 CB ARG A 63 5.593 0.394 9.763 1.00 0.00 C ATOM 913 CG ARG A 63 5.736 -0.110 11.178 1.00 0.00 C ATOM 914 CD ARG A 63 6.400 -1.472 11.258 1.00 0.00 C ATOM 915 NE ARG A 63 5.740 -2.338 12.231 1.00 0.00 N ATOM 916 CZ ARG A 63 6.034 -2.376 13.532 1.00 0.00 C ATOM 917 NH1 ARG A 63 6.989 -1.603 14.031 1.00 0.00 N ATOM 918 NH2 ARG A 63 5.361 -3.188 14.337 1.00 0.00 N ATOM 0 H ARG A 63 5.857 -1.555 7.966 1.00 0.00 H new ATOM 0 HA ARG A 63 3.638 -0.498 9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.546 0.278 9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.371 1.461 9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.319 0.607 11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.750 -0.165 11.640 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.379 -1.945 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.448 -1.350 11.531 1.00 0.00 H new ATOM 0 HE ARG A 63 5.003 -2.957 11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.506 -0.972 13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.206 -1.639 15.027 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.621 -3.781 13.961 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.583 -3.219 15.332 1.00 0.00 H new ATOM 932 N PHE A 64 2.820 0.916 7.762 1.00 0.00 N ATOM 933 CA PHE A 64 2.297 1.752 6.700 1.00 0.00 C ATOM 934 C PHE A 64 2.336 3.224 7.085 1.00 0.00 C ATOM 935 O PHE A 64 1.884 3.612 8.160 1.00 0.00 O ATOM 936 CB PHE A 64 0.863 1.334 6.358 1.00 0.00 C ATOM 937 CG PHE A 64 0.157 2.268 5.417 1.00 0.00 C ATOM 938 CD1 PHE A 64 0.820 2.841 4.342 1.00 0.00 C ATOM 939 CD2 PHE A 64 -1.174 2.579 5.618 1.00 0.00 C ATOM 940 CE1 PHE A 64 0.165 3.708 3.492 1.00 0.00 C ATOM 941 CE2 PHE A 64 -1.830 3.441 4.768 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.161 4.007 3.705 1.00 0.00 C ATOM 0 H PHE A 64 2.130 0.640 8.460 1.00 0.00 H new ATOM 0 HA PHE A 64 2.929 1.617 5.822 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.882 0.338 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.287 1.262 7.281 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.860 2.606 4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.705 2.142 6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.692 4.151 2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.871 3.674 4.935 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.676 4.684 3.040 1.00 0.00 H new ATOM 952 N HIS A 65 2.908 4.031 6.204 1.00 0.00 N ATOM 953 CA HIS A 65 2.976 5.469 6.414 1.00 0.00 C ATOM 954 C HIS A 65 2.264 6.191 5.273 1.00 0.00 C ATOM 955 O HIS A 65 2.881 6.542 4.270 1.00 0.00 O ATOM 956 CB HIS A 65 4.423 5.948 6.538 1.00 0.00 C ATOM 957 CG HIS A 65 4.789 6.342 7.937 1.00 0.00 C ATOM 958 ND1 HIS A 65 5.849 7.169 8.241 1.00 0.00 N ATOM 959 CD2 HIS A 65 4.217 6.019 9.121 1.00 0.00 C ATOM 960 CE1 HIS A 65 5.912 7.338 9.547 1.00 0.00 C ATOM 961 NE2 HIS A 65 4.934 6.652 10.103 1.00 0.00 N ATOM 0 H HIS A 65 3.333 3.712 5.333 1.00 0.00 H new ATOM 0 HA HIS A 65 2.474 5.703 7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 65 5.093 5.156 6.202 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.577 6.799 5.874 1.00 0.00 H new ATOM 0 HD1 HIS A 65 6.486 7.585 7.561 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.357 5.382 9.265 1.00 0.00 H new ATOM 0 HE1 HIS A 65 6.641 7.937 10.072 1.00 0.00 H new ATOM 970 N PRO A 66 0.942 6.395 5.421 1.00 0.00 N ATOM 971 CA PRO A 66 0.100 7.067 4.413 1.00 0.00 C ATOM 972 C PRO A 66 0.564 8.471 4.109 1.00 0.00 C ATOM 973 O PRO A 66 0.446 8.973 2.996 1.00 0.00 O ATOM 974 CB PRO A 66 -1.277 7.130 5.072 1.00 0.00 C ATOM 975 CG PRO A 66 -1.057 6.843 6.518 1.00 0.00 C ATOM 976 CD PRO A 66 0.162 5.977 6.594 1.00 0.00 C ATOM 0 HA PRO A 66 0.124 6.531 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.730 8.112 4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.955 6.401 4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.914 7.766 7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.921 6.337 6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.712 6.136 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.093 4.918 6.552 1.00 0.00 H new ATOM 984 N LYS A 67 1.036 9.100 5.140 1.00 0.00 N ATOM 985 CA LYS A 67 1.555 10.453 5.061 1.00 0.00 C ATOM 986 C LYS A 67 2.903 10.517 5.750 1.00 0.00 C ATOM 987 O LYS A 67 2.996 10.817 6.941 1.00 0.00 O ATOM 988 CB LYS A 67 0.582 11.473 5.673 1.00 0.00 C ATOM 989 CG LYS A 67 -0.261 10.937 6.825 1.00 0.00 C ATOM 990 CD LYS A 67 -1.592 10.384 6.335 1.00 0.00 C ATOM 991 CE LYS A 67 -2.469 11.468 5.727 1.00 0.00 C ATOM 992 NZ LYS A 67 -2.954 12.430 6.752 1.00 0.00 N ATOM 0 H LYS A 67 1.078 8.695 6.075 1.00 0.00 H new ATOM 0 HA LYS A 67 1.672 10.715 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.152 12.332 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.085 11.834 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.290 10.154 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.441 11.734 7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.411 9.606 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.118 9.915 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.906 12.005 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.322 11.008 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.653 13.070 6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.396 11.909 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.153 12.985 7.114 1.00 0.00 H new ATOM 1006 N GLU A 68 3.943 10.186 5.006 1.00 0.00 N ATOM 1007 CA GLU A 68 5.286 10.198 5.546 1.00 0.00 C ATOM 1008 C GLU A 68 5.758 11.597 5.881 1.00 0.00 C ATOM 1009 O GLU A 68 5.810 12.460 5.003 1.00 0.00 O ATOM 1010 CB GLU A 68 6.294 9.594 4.580 1.00 0.00 C ATOM 1011 CG GLU A 68 7.714 9.755 5.091 1.00 0.00 C ATOM 1012 CD GLU A 68 8.268 8.464 5.653 1.00 0.00 C ATOM 1013 OE1 GLU A 68 7.772 8.013 6.708 1.00 0.00 O ATOM 1014 OE2 GLU A 68 9.192 7.887 5.052 1.00 0.00 O ATOM 0 H GLU A 68 3.881 9.906 4.027 1.00 0.00 H new ATOM 0 HA GLU A 68 5.232 9.599 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.075 8.536 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.199 10.074 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.354 10.100 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.736 10.524 5.863 1.00 0.00 H new ATOM 1021 N GLY A 69 6.109 11.781 7.154 1.00 0.00 N ATOM 1022 CA GLY A 69 6.643 13.035 7.649 1.00 0.00 C ATOM 1023 C GLY A 69 6.008 14.272 7.058 1.00 0.00 C ATOM 1024 O GLY A 69 4.787 14.357 6.908 1.00 0.00 O ATOM 0 H GLY A 69 6.028 11.057 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.521 13.063 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.714 13.062 7.448 1.00 0.00 H new ATOM 1028 N ALA A 70 6.856 15.227 6.710 1.00 0.00 N ATOM 1029 CA ALA A 70 6.413 16.475 6.123 1.00 0.00 C ATOM 1030 C ALA A 70 6.205 16.302 4.631 1.00 0.00 C ATOM 1031 O ALA A 70 5.658 17.177 3.958 1.00 0.00 O ATOM 1032 CB ALA A 70 7.427 17.574 6.394 1.00 0.00 C ATOM 0 H ALA A 70 7.867 15.156 6.827 1.00 0.00 H new ATOM 0 HA ALA A 70 5.465 16.761 6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.081 18.506 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.540 17.707 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.388 17.298 5.960 1.00 0.00 H new ATOM 1038 N ALA A 71 6.646 15.161 4.115 1.00 0.00 N ATOM 1039 CA ALA A 71 6.504 14.871 2.705 1.00 0.00 C ATOM 1040 C ALA A 71 5.061 14.520 2.382 1.00 0.00 C ATOM 1041 O ALA A 71 4.604 14.735 1.258 1.00 0.00 O ATOM 1042 CB ALA A 71 7.434 13.737 2.300 1.00 0.00 C ATOM 0 H ALA A 71 7.103 14.427 4.656 1.00 0.00 H new ATOM 0 HA ALA A 71 6.779 15.760 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.315 13.531 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.466 14.024 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.188 12.843 2.872 1.00 0.00 H new ATOM 1048 N GLU A 72 4.345 14.013 3.390 1.00 0.00 N ATOM 1049 CA GLU A 72 2.953 13.604 3.233 1.00 0.00 C ATOM 1050 C GLU A 72 2.831 12.612 2.085 1.00 0.00 C ATOM 1051 O GLU A 72 1.923 12.699 1.259 1.00 0.00 O ATOM 1052 CB GLU A 72 2.056 14.821 2.994 1.00 0.00 C ATOM 1053 CG GLU A 72 1.846 15.672 4.235 1.00 0.00 C ATOM 1054 CD GLU A 72 0.846 15.059 5.194 1.00 0.00 C ATOM 1055 OE1 GLU A 72 -0.358 15.047 4.867 1.00 0.00 O ATOM 1056 OE2 GLU A 72 1.254 14.590 6.277 1.00 0.00 O ATOM 0 H GLU A 72 4.714 13.877 4.331 1.00 0.00 H new ATOM 0 HA GLU A 72 2.624 13.119 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.495 15.438 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.087 14.482 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.800 15.806 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.501 16.663 3.939 1.00 0.00 H new ATOM 1063 N GLN A 73 3.761 11.666 2.039 1.00 0.00 N ATOM 1064 CA GLN A 73 3.770 10.673 0.976 1.00 0.00 C ATOM 1065 C GLN A 73 3.506 9.285 1.522 1.00 0.00 C ATOM 1066 O GLN A 73 4.112 8.871 2.508 1.00 0.00 O ATOM 1067 CB GLN A 73 5.100 10.695 0.220 1.00 0.00 C ATOM 1068 CG GLN A 73 5.300 11.949 -0.614 1.00 0.00 C ATOM 1069 CD GLN A 73 6.572 11.913 -1.436 1.00 0.00 C ATOM 1070 OE1 GLN A 73 7.041 10.845 -1.835 1.00 0.00 O ATOM 1071 NE2 GLN A 73 7.131 13.082 -1.704 1.00 0.00 N ATOM 0 H GLN A 73 4.513 11.567 2.721 1.00 0.00 H new ATOM 0 HA GLN A 73 2.969 10.928 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.918 10.610 0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.154 9.822 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.446 12.076 -1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.323 12.817 0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.709 13.942 -1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.984 13.123 -2.261 1.00 0.00 H new ATOM 1080 N PRO A 74 2.577 8.562 0.896 1.00 0.00 N ATOM 1081 CA PRO A 74 2.226 7.208 1.300 1.00 0.00 C ATOM 1082 C PRO A 74 3.279 6.197 0.880 1.00 0.00 C ATOM 1083 O PRO A 74 3.449 5.900 -0.304 1.00 0.00 O ATOM 1084 CB PRO A 74 0.908 6.949 0.573 1.00 0.00 C ATOM 1085 CG PRO A 74 0.976 7.807 -0.642 1.00 0.00 C ATOM 1086 CD PRO A 74 1.776 9.024 -0.250 1.00 0.00 C ATOM 0 HA PRO A 74 2.151 7.108 2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.800 5.897 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.053 7.211 1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.452 7.277 -1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.022 8.088 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.409 9.368 -1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.129 9.857 0.024 1.00 0.00 H new ATOM 1094 N ILE A 75 4.004 5.690 1.856 1.00 0.00 N ATOM 1095 CA ILE A 75 5.033 4.704 1.604 1.00 0.00 C ATOM 1096 C ILE A 75 4.911 3.586 2.631 1.00 0.00 C ATOM 1097 O ILE A 75 4.598 3.828 3.800 1.00 0.00 O ATOM 1098 CB ILE A 75 6.468 5.313 1.612 1.00 0.00 C ATOM 1099 CG1 ILE A 75 7.031 5.449 3.027 1.00 0.00 C ATOM 1100 CG2 ILE A 75 6.481 6.668 0.921 1.00 0.00 C ATOM 1101 CD1 ILE A 75 7.973 4.323 3.402 1.00 0.00 C ATOM 0 H ILE A 75 3.898 5.947 2.837 1.00 0.00 H new ATOM 0 HA ILE A 75 4.881 4.307 0.600 1.00 0.00 H new ATOM 0 HB ILE A 75 7.107 4.621 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.558 6.399 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.206 5.477 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.492 7.075 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.153 6.553 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.807 7.348 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.338 4.477 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.443 3.372 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.816 4.309 2.711 1.00 0.00 H new ATOM 1113 N LEU A 76 5.122 2.368 2.188 1.00 0.00 N ATOM 1114 CA LEU A 76 5.025 1.211 3.058 1.00 0.00 C ATOM 1115 C LEU A 76 6.397 0.574 3.250 1.00 0.00 C ATOM 1116 O LEU A 76 7.067 0.236 2.278 1.00 0.00 O ATOM 1117 CB LEU A 76 4.016 0.220 2.449 1.00 0.00 C ATOM 1118 CG LEU A 76 3.732 -1.066 3.236 1.00 0.00 C ATOM 1119 CD1 LEU A 76 4.689 -2.175 2.831 1.00 0.00 C ATOM 1120 CD2 LEU A 76 3.821 -0.819 4.727 1.00 0.00 C ATOM 0 H LEU A 76 5.364 2.148 1.222 1.00 0.00 H new ATOM 0 HA LEU A 76 4.672 1.511 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.071 0.745 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.375 -0.062 1.459 1.00 0.00 H new ATOM 0 HG LEU A 76 2.716 -1.382 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.466 -3.075 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.575 -2.384 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.714 -1.862 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.616 -1.746 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.822 -0.469 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.089 -0.064 5.015 1.00 0.00 H new ATOM 1132 N ARG A 77 6.825 0.440 4.501 1.00 0.00 N ATOM 1133 CA ARG A 77 8.112 -0.172 4.786 1.00 0.00 C ATOM 1134 C ARG A 77 7.935 -1.411 5.665 1.00 0.00 C ATOM 1135 O ARG A 77 7.121 -1.425 6.593 1.00 0.00 O ATOM 1136 CB ARG A 77 9.090 0.825 5.432 1.00 0.00 C ATOM 1137 CG ARG A 77 8.982 0.975 6.946 1.00 0.00 C ATOM 1138 CD ARG A 77 7.791 1.815 7.377 1.00 0.00 C ATOM 1139 NE ARG A 77 7.725 3.085 6.650 1.00 0.00 N ATOM 1140 CZ ARG A 77 8.042 4.269 7.181 1.00 0.00 C ATOM 1141 NH1 ARG A 77 8.438 4.355 8.445 1.00 0.00 N ATOM 1142 NH2 ARG A 77 7.964 5.366 6.439 1.00 0.00 N ATOM 0 H ARG A 77 6.304 0.744 5.324 1.00 0.00 H new ATOM 0 HA ARG A 77 8.547 -0.480 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.107 0.517 5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.935 1.803 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.905 -0.014 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.897 1.430 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.872 1.253 7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.855 2.012 8.447 1.00 0.00 H new ATOM 0 HE ARG A 77 7.418 3.064 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.502 3.513 9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.678 5.263 8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.663 5.304 5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.205 6.272 6.841 1.00 0.00 H new ATOM 1156 N ALA A 78 8.694 -2.446 5.348 1.00 0.00 N ATOM 1157 CA ALA A 78 8.647 -3.708 6.082 1.00 0.00 C ATOM 1158 C ALA A 78 9.948 -4.482 5.894 1.00 0.00 C ATOM 1159 O ALA A 78 10.741 -4.161 5.009 1.00 0.00 O ATOM 1160 CB ALA A 78 7.469 -4.548 5.608 1.00 0.00 C ATOM 0 H ALA A 78 9.361 -2.440 4.576 1.00 0.00 H new ATOM 0 HA ALA A 78 8.521 -3.487 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.445 -5.486 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.541 -4.002 5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.577 -4.758 4.544 1.00 0.00 H new ATOM 1166 N ARG A 79 10.161 -5.508 6.711 1.00 0.00 N ATOM 1167 CA ARG A 79 11.365 -6.321 6.605 1.00 0.00 C ATOM 1168 C ARG A 79 11.118 -7.403 5.568 1.00 0.00 C ATOM 1169 O ARG A 79 10.271 -8.271 5.762 1.00 0.00 O ATOM 1170 CB ARG A 79 11.743 -6.996 7.938 1.00 0.00 C ATOM 1171 CG ARG A 79 11.480 -6.177 9.196 1.00 0.00 C ATOM 1172 CD ARG A 79 12.008 -4.760 9.084 1.00 0.00 C ATOM 1173 NE ARG A 79 11.947 -4.039 10.356 1.00 0.00 N ATOM 1174 CZ ARG A 79 13.015 -3.578 11.007 1.00 0.00 C ATOM 1175 NH1 ARG A 79 14.234 -3.786 10.522 1.00 0.00 N ATOM 1176 NH2 ARG A 79 12.860 -2.914 12.147 1.00 0.00 N ATOM 0 H ARG A 79 9.519 -5.795 7.450 1.00 0.00 H new ATOM 0 HA ARG A 79 12.189 -5.665 6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.193 -7.934 8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.803 -7.249 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.408 -6.148 9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.945 -6.669 10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.040 -4.786 8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.431 -4.218 8.335 1.00 0.00 H new ATOM 0 HE ARG A 79 11.029 -3.879 10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.355 -4.300 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.049 -3.432 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.925 -2.758 12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.676 -2.561 12.646 1.00 0.00 H new ATOM 1190 N LEU A 80 11.856 -7.346 4.478 1.00 0.00 N ATOM 1191 CA LEU A 80 11.703 -8.303 3.395 1.00 0.00 C ATOM 1192 C LEU A 80 12.754 -9.400 3.476 1.00 0.00 C ATOM 1193 O LEU A 80 13.950 -9.124 3.551 1.00 0.00 O ATOM 1194 CB LEU A 80 11.783 -7.573 2.053 1.00 0.00 C ATOM 1195 CG LEU A 80 10.449 -7.056 1.500 1.00 0.00 C ATOM 1196 CD1 LEU A 80 9.563 -6.511 2.600 1.00 0.00 C ATOM 1197 CD2 LEU A 80 10.679 -6.004 0.432 1.00 0.00 C ATOM 0 H LEU A 80 12.575 -6.641 4.316 1.00 0.00 H new ATOM 0 HA LEU A 80 10.727 -8.780 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 80 12.464 -6.728 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.224 -8.247 1.319 1.00 0.00 H new ATOM 0 HG LEU A 80 9.933 -7.903 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.627 -6.154 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.353 -7.300 3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.070 -5.686 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.719 -5.652 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.230 -5.166 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.254 -6.436 -0.387 1.00 0.00 H new ATOM 1209 N ARG A 81 12.291 -10.640 3.471 1.00 0.00 N ATOM 1210 CA ARG A 81 13.170 -11.796 3.551 1.00 0.00 C ATOM 1211 C ARG A 81 13.700 -12.177 2.175 1.00 0.00 C ATOM 1212 O ARG A 81 12.979 -12.103 1.179 1.00 0.00 O ATOM 1213 CB ARG A 81 12.419 -12.969 4.194 1.00 0.00 C ATOM 1214 CG ARG A 81 13.198 -14.277 4.234 1.00 0.00 C ATOM 1215 CD ARG A 81 12.777 -15.212 3.116 1.00 0.00 C ATOM 1216 NE ARG A 81 13.320 -16.563 3.290 1.00 0.00 N ATOM 1217 CZ ARG A 81 12.846 -17.459 4.157 1.00 0.00 C ATOM 1218 NH1 ARG A 81 11.824 -17.148 4.944 1.00 0.00 N ATOM 1219 NH2 ARG A 81 13.386 -18.673 4.230 1.00 0.00 N ATOM 0 H ARG A 81 11.300 -10.873 3.412 1.00 0.00 H new ATOM 0 HA ARG A 81 14.029 -11.543 4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.146 -12.693 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.490 -13.132 3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.265 -14.068 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.041 -14.765 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.689 -15.262 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.112 -14.808 2.161 1.00 0.00 H new ATOM 0 HE ARG A 81 14.113 -16.836 2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.399 -16.222 4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.463 -17.835 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.166 -18.922 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.020 -19.355 4.895 1.00 0.00 H new ATOM 1233 N ASP A 82 14.963 -12.571 2.128 1.00 0.00 N ATOM 1234 CA ASP A 82 15.594 -12.968 0.874 1.00 0.00 C ATOM 1235 C ASP A 82 15.636 -14.486 0.762 1.00 0.00 C ATOM 1236 O ASP A 82 15.286 -15.181 1.712 1.00 0.00 O ATOM 1237 CB ASP A 82 17.008 -12.395 0.769 1.00 0.00 C ATOM 1238 CG ASP A 82 18.034 -13.221 1.517 1.00 0.00 C ATOM 1239 OD1 ASP A 82 17.747 -13.654 2.652 1.00 0.00 O ATOM 1240 OD2 ASP A 82 19.129 -13.451 0.958 1.00 0.00 O ATOM 0 H ASP A 82 15.574 -12.625 2.943 1.00 0.00 H new ATOM 0 HA ASP A 82 14.999 -12.567 0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 82 17.293 -12.334 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 82 17.013 -11.378 1.160 1.00 0.00 H new ATOM 1245 N CYS A 83 16.071 -15.004 -0.374 1.00 0.00 N ATOM 1246 CA CYS A 83 16.135 -16.449 -0.572 1.00 0.00 C ATOM 1247 C CYS A 83 17.006 -17.130 0.482 1.00 0.00 C ATOM 1248 O CYS A 83 16.760 -18.281 0.854 1.00 0.00 O ATOM 1249 CB CYS A 83 16.659 -16.765 -1.972 1.00 0.00 C ATOM 1250 SG CYS A 83 18.204 -15.924 -2.392 1.00 0.00 S ATOM 0 H CYS A 83 16.385 -14.452 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 83 15.124 -16.841 -0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 83 16.809 -17.841 -2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 83 15.899 -16.491 -2.703 1.00 0.00 H new ATOM 0 HG CYS A 83 17.977 -14.654 -2.553 1.00 0.00 H new ATOM 1256 N ASN A 84 17.997 -16.404 0.987 1.00 0.00 N ATOM 1257 CA ASN A 84 18.912 -16.948 1.990 1.00 0.00 C ATOM 1258 C ASN A 84 18.196 -17.163 3.317 1.00 0.00 C ATOM 1259 O ASN A 84 18.555 -18.048 4.094 1.00 0.00 O ATOM 1260 CB ASN A 84 20.110 -16.017 2.173 1.00 0.00 C ATOM 1261 CG ASN A 84 21.172 -16.561 3.104 1.00 0.00 C ATOM 1262 OD1 ASN A 84 21.361 -17.772 3.227 1.00 0.00 O ATOM 1263 ND2 ASN A 84 21.891 -15.659 3.752 1.00 0.00 N ATOM 0 H ASN A 84 18.189 -15.438 0.720 1.00 0.00 H new ATOM 0 HA ASN A 84 19.271 -17.915 1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.559 -15.823 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.759 -15.060 2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.635 -15.957 4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.701 -14.665 3.621 1.00 0.00 H new ATOM 1270 N GLY A 85 17.169 -16.361 3.567 1.00 0.00 N ATOM 1271 CA GLY A 85 16.400 -16.512 4.784 1.00 0.00 C ATOM 1272 C GLY A 85 16.667 -15.431 5.807 1.00 0.00 C ATOM 1273 O GLY A 85 16.608 -15.690 7.008 1.00 0.00 O ATOM 0 H GLY A 85 16.857 -15.611 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.339 -16.511 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.623 -17.483 5.227 1.00 0.00 H new ATOM 1277 N GLU A 86 16.937 -14.221 5.345 1.00 0.00 N ATOM 1278 CA GLU A 86 17.204 -13.112 6.253 1.00 0.00 C ATOM 1279 C GLU A 86 16.086 -12.090 6.129 1.00 0.00 C ATOM 1280 O GLU A 86 15.030 -12.403 5.603 1.00 0.00 O ATOM 1281 CB GLU A 86 18.567 -12.469 5.961 1.00 0.00 C ATOM 1282 CG GLU A 86 18.609 -11.588 4.721 1.00 0.00 C ATOM 1283 CD GLU A 86 19.851 -10.720 4.676 1.00 0.00 C ATOM 1284 OE1 GLU A 86 19.999 -9.844 5.554 1.00 0.00 O ATOM 1285 OE2 GLU A 86 20.690 -10.911 3.773 1.00 0.00 O ATOM 0 H GLU A 86 16.978 -13.980 4.355 1.00 0.00 H new ATOM 0 HA GLU A 86 17.239 -13.490 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.862 -11.871 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.309 -13.260 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.574 -12.216 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.723 -10.953 4.698 1.00 0.00 H new ATOM 1292 N PHE A 87 16.300 -10.884 6.619 1.00 0.00 N ATOM 1293 CA PHE A 87 15.284 -9.847 6.529 1.00 0.00 C ATOM 1294 C PHE A 87 15.924 -8.487 6.371 1.00 0.00 C ATOM 1295 O PHE A 87 16.861 -8.128 7.081 1.00 0.00 O ATOM 1296 CB PHE A 87 14.344 -9.878 7.746 1.00 0.00 C ATOM 1297 CG PHE A 87 15.009 -9.573 9.060 1.00 0.00 C ATOM 1298 CD1 PHE A 87 15.729 -10.546 9.735 1.00 0.00 C ATOM 1299 CD2 PHE A 87 14.905 -8.312 9.624 1.00 0.00 C ATOM 1300 CE1 PHE A 87 16.335 -10.267 10.944 1.00 0.00 C ATOM 1301 CE2 PHE A 87 15.507 -8.028 10.833 1.00 0.00 C ATOM 1302 CZ PHE A 87 16.223 -9.005 11.494 1.00 0.00 C ATOM 0 H PHE A 87 17.163 -10.597 7.082 1.00 0.00 H new ATOM 0 HA PHE A 87 14.680 -10.044 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.540 -9.160 7.586 1.00 0.00 H new ATOM 0 HB3 PHE A 87 13.883 -10.864 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.817 -11.535 9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.347 -7.542 9.112 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.895 -11.034 11.458 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.418 -7.041 11.262 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.695 -8.783 12.440 1.00 0.00 H new ATOM 1312 N HIS A 88 15.417 -7.741 5.417 1.00 0.00 N ATOM 1313 CA HIS A 88 15.921 -6.420 5.128 1.00 0.00 C ATOM 1314 C HIS A 88 14.769 -5.447 4.975 1.00 0.00 C ATOM 1315 O HIS A 88 13.918 -5.622 4.107 1.00 0.00 O ATOM 1316 CB HIS A 88 16.759 -6.451 3.856 1.00 0.00 C ATOM 1317 CG HIS A 88 18.232 -6.367 4.103 1.00 0.00 C ATOM 1318 ND1 HIS A 88 18.865 -5.207 4.497 1.00 0.00 N ATOM 1319 CD2 HIS A 88 19.197 -7.308 4.016 1.00 0.00 C ATOM 1320 CE1 HIS A 88 20.157 -5.439 4.635 1.00 0.00 C ATOM 1321 NE2 HIS A 88 20.383 -6.706 4.352 1.00 0.00 N ATOM 0 H HIS A 88 14.644 -8.034 4.820 1.00 0.00 H new ATOM 0 HA HIS A 88 16.550 -6.090 5.955 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.543 -7.370 3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.460 -5.623 3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.060 -8.342 3.734 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.902 -4.714 4.930 1.00 0.00 H new ATOM 0 HE2 HIS A 88 21.293 -7.165 4.379 1.00 0.00 H new ATOM 1330 N ASP A 89 14.744 -4.433 5.821 1.00 0.00 N ATOM 1331 CA ASP A 89 13.683 -3.435 5.798 1.00 0.00 C ATOM 1332 C ASP A 89 13.711 -2.622 4.511 1.00 0.00 C ATOM 1333 O ASP A 89 14.649 -1.871 4.253 1.00 0.00 O ATOM 1334 CB ASP A 89 13.790 -2.508 7.020 1.00 0.00 C ATOM 1335 CG ASP A 89 15.151 -1.846 7.154 1.00 0.00 C ATOM 1336 OD1 ASP A 89 16.145 -2.570 7.382 1.00 0.00 O ATOM 1337 OD2 ASP A 89 15.233 -0.602 7.056 1.00 0.00 O ATOM 0 H ASP A 89 15.451 -4.276 6.539 1.00 0.00 H new ATOM 0 HA ASP A 89 12.730 -3.962 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.023 -1.736 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.583 -3.083 7.923 1.00 0.00 H new ATOM 1342 N ARG A 90 12.697 -2.802 3.681 1.00 0.00 N ATOM 1343 CA ARG A 90 12.596 -2.054 2.443 1.00 0.00 C ATOM 1344 C ARG A 90 11.374 -1.158 2.505 1.00 0.00 C ATOM 1345 O ARG A 90 10.563 -1.283 3.420 1.00 0.00 O ATOM 1346 CB ARG A 90 12.501 -2.994 1.244 1.00 0.00 C ATOM 1347 CG ARG A 90 13.692 -3.922 1.106 1.00 0.00 C ATOM 1348 CD ARG A 90 14.994 -3.148 0.989 1.00 0.00 C ATOM 1349 NE ARG A 90 16.136 -4.037 0.794 1.00 0.00 N ATOM 1350 CZ ARG A 90 17.393 -3.706 1.078 1.00 0.00 C ATOM 1351 NH1 ARG A 90 17.674 -2.509 1.579 1.00 0.00 N ATOM 1352 NH2 ARG A 90 18.369 -4.577 0.858 1.00 0.00 N ATOM 0 H ARG A 90 11.934 -3.459 3.843 1.00 0.00 H new ATOM 0 HA ARG A 90 13.493 -1.447 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.594 -3.591 1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.405 -2.401 0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.739 -4.585 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.563 -4.552 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.929 -2.451 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.146 -2.553 1.890 1.00 0.00 H new ATOM 0 HE ARG A 90 15.959 -4.968 0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.925 -1.838 1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.639 -2.260 1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.155 -5.497 0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.334 -4.327 1.074 1.00 0.00 H new ATOM 1366 N ASP A 91 11.229 -0.276 1.532 1.00 0.00 N ATOM 1367 CA ASP A 91 10.109 0.639 1.504 1.00 0.00 C ATOM 1368 C ASP A 91 9.635 0.804 0.082 1.00 0.00 C ATOM 1369 O ASP A 91 10.426 0.740 -0.858 1.00 0.00 O ATOM 1370 CB ASP A 91 10.485 1.998 2.101 1.00 0.00 C ATOM 1371 CG ASP A 91 11.584 2.706 1.330 1.00 0.00 C ATOM 1372 OD1 ASP A 91 12.769 2.330 1.487 1.00 0.00 O ATOM 1373 OD2 ASP A 91 11.272 3.657 0.582 1.00 0.00 O ATOM 0 H ASP A 91 11.876 -0.176 0.750 1.00 0.00 H new ATOM 0 HA ASP A 91 9.305 0.224 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.600 2.634 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.806 1.858 3.133 1.00 0.00 H new ATOM 1378 N VAL A 92 8.349 0.999 -0.075 1.00 0.00 N ATOM 1379 CA VAL A 92 7.775 1.150 -1.392 1.00 0.00 C ATOM 1380 C VAL A 92 6.836 2.341 -1.440 1.00 0.00 C ATOM 1381 O VAL A 92 6.192 2.687 -0.448 1.00 0.00 O ATOM 1382 CB VAL A 92 7.037 -0.133 -1.818 1.00 0.00 C ATOM 1383 CG1 VAL A 92 5.811 -0.386 -0.949 1.00 0.00 C ATOM 1384 CG2 VAL A 92 6.679 -0.085 -3.292 1.00 0.00 C ATOM 0 H VAL A 92 7.679 1.057 0.692 1.00 0.00 H new ATOM 0 HA VAL A 92 8.590 1.328 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 92 7.713 -0.975 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.314 -1.299 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.118 -0.494 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.122 0.454 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.159 -1.002 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.032 0.771 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.589 0.010 -3.885 1.00 0.00 H new ATOM 1394 N ASN A 93 6.779 2.965 -2.596 1.00 0.00 N ATOM 1395 CA ASN A 93 5.935 4.125 -2.804 1.00 0.00 C ATOM 1396 C ASN A 93 4.515 3.690 -3.123 1.00 0.00 C ATOM 1397 O ASN A 93 4.253 3.134 -4.187 1.00 0.00 O ATOM 1398 CB ASN A 93 6.491 4.991 -3.934 1.00 0.00 C ATOM 1399 CG ASN A 93 7.720 5.774 -3.515 1.00 0.00 C ATOM 1400 OD1 ASN A 93 7.615 6.892 -3.011 1.00 0.00 O ATOM 1401 ND2 ASN A 93 8.890 5.194 -3.721 1.00 0.00 N ATOM 0 H ASN A 93 7.314 2.685 -3.418 1.00 0.00 H new ATOM 0 HA ASN A 93 5.922 4.716 -1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.741 4.356 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.720 5.684 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.751 5.675 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.932 4.266 -4.142 1.00 0.00 H new ATOM 1408 N LEU A 94 3.596 3.960 -2.207 1.00 0.00 N ATOM 1409 CA LEU A 94 2.204 3.577 -2.390 1.00 0.00 C ATOM 1410 C LEU A 94 1.471 4.565 -3.291 1.00 0.00 C ATOM 1411 O LEU A 94 0.270 4.434 -3.519 1.00 0.00 O ATOM 1412 CB LEU A 94 1.483 3.447 -1.044 1.00 0.00 C ATOM 1413 CG LEU A 94 2.019 2.363 -0.102 1.00 0.00 C ATOM 1414 CD1 LEU A 94 0.938 1.936 0.871 1.00 0.00 C ATOM 1415 CD2 LEU A 94 2.528 1.158 -0.877 1.00 0.00 C ATOM 0 H LEU A 94 3.790 4.443 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 94 2.198 2.602 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.536 4.407 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.429 3.246 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 94 2.857 2.785 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.330 1.166 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.619 2.796 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.087 1.539 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.901 0.408 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.714 0.734 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.334 1.467 -1.542 1.00 0.00 H new ATOM 1427 N ASN A 95 2.200 5.551 -3.812 1.00 0.00 N ATOM 1428 CA ASN A 95 1.616 6.543 -4.718 1.00 0.00 C ATOM 1429 C ASN A 95 1.126 5.859 -5.988 1.00 0.00 C ATOM 1430 O ASN A 95 0.352 6.426 -6.756 1.00 0.00 O ATOM 1431 CB ASN A 95 2.625 7.633 -5.096 1.00 0.00 C ATOM 1432 CG ASN A 95 3.285 8.273 -3.894 1.00 0.00 C ATOM 1433 OD1 ASN A 95 2.726 9.162 -3.258 1.00 0.00 O ATOM 1434 ND2 ASN A 95 4.508 7.861 -3.619 1.00 0.00 N ATOM 0 H ASN A 95 3.193 5.685 -3.624 1.00 0.00 H new ATOM 0 HA ASN A 95 0.783 7.013 -4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.393 7.202 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.118 8.403 -5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.028 8.285 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.933 7.119 -4.175 1.00 0.00 H new ATOM 1441 N ARG A 96 1.598 4.636 -6.203 1.00 0.00 N ATOM 1442 CA ARG A 96 1.202 3.846 -7.358 1.00 0.00 C ATOM 1443 C ARG A 96 -0.293 3.560 -7.305 1.00 0.00 C ATOM 1444 O ARG A 96 -0.952 3.396 -8.327 1.00 0.00 O ATOM 1445 CB ARG A 96 1.969 2.522 -7.378 1.00 0.00 C ATOM 1446 CG ARG A 96 3.373 2.601 -7.960 1.00 0.00 C ATOM 1447 CD ARG A 96 4.231 3.683 -7.314 1.00 0.00 C ATOM 1448 NE ARG A 96 4.284 4.888 -8.132 1.00 0.00 N ATOM 1449 CZ ARG A 96 5.351 5.257 -8.839 1.00 0.00 C ATOM 1450 NH1 ARG A 96 6.438 4.493 -8.854 1.00 0.00 N ATOM 1451 NH2 ARG A 96 5.319 6.379 -9.543 1.00 0.00 N ATOM 0 H ARG A 96 2.261 4.169 -5.585 1.00 0.00 H new ATOM 0 HA ARG A 96 1.432 4.411 -8.262 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.035 2.142 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.394 1.795 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.865 1.636 -7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.305 2.791 -9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.829 3.928 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.241 3.303 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 96 3.456 5.483 -8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.457 3.622 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.254 4.777 -9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.479 6.958 -9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.134 6.664 -10.085 1.00 0.00 H new ATOM 1465 N ILE A 97 -0.815 3.507 -6.091 1.00 0.00 N ATOM 1466 CA ILE A 97 -2.217 3.228 -5.865 1.00 0.00 C ATOM 1467 C ILE A 97 -3.077 4.447 -6.168 1.00 0.00 C ATOM 1468 O ILE A 97 -2.873 5.533 -5.617 1.00 0.00 O ATOM 1469 CB ILE A 97 -2.444 2.774 -4.414 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -1.517 1.599 -4.100 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -3.899 2.385 -4.192 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -1.122 1.517 -2.649 1.00 0.00 C ATOM 0 H ILE A 97 -0.277 3.656 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.511 2.426 -6.542 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.215 3.601 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.010 0.670 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.617 1.683 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.037 2.067 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.540 3.242 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.163 1.567 -4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.465 0.661 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.600 2.430 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.015 1.401 -2.035 1.00 0.00 H new ATOM 1484 N GLN A 98 -4.027 4.258 -7.058 1.00 0.00 N ATOM 1485 CA GLN A 98 -4.938 5.306 -7.454 1.00 0.00 C ATOM 1486 C GLN A 98 -6.350 4.926 -7.050 1.00 0.00 C ATOM 1487 O GLN A 98 -6.620 3.764 -6.742 1.00 0.00 O ATOM 1488 CB GLN A 98 -4.861 5.524 -8.962 1.00 0.00 C ATOM 1489 CG GLN A 98 -3.527 6.084 -9.425 1.00 0.00 C ATOM 1490 CD GLN A 98 -3.420 6.147 -10.935 1.00 0.00 C ATOM 1491 OE1 GLN A 98 -3.801 7.139 -11.556 1.00 0.00 O ATOM 1492 NE2 GLN A 98 -2.893 5.091 -11.535 1.00 0.00 N ATOM 0 H GLN A 98 -4.189 3.368 -7.529 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.660 6.234 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.044 4.576 -9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.657 6.205 -9.264 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.393 7.084 -9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.720 5.466 -9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.590 4.289 -10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.790 5.079 -12.550 1.00 0.00 H new ATOM 1501 N ASN A 99 -7.237 5.900 -7.044 1.00 0.00 N ATOM 1502 CA ASN A 99 -8.622 5.667 -6.681 1.00 0.00 C ATOM 1503 C ASN A 99 -9.514 5.828 -7.896 1.00 0.00 C ATOM 1504 O ASN A 99 -9.581 6.905 -8.484 1.00 0.00 O ATOM 1505 CB ASN A 99 -9.055 6.634 -5.580 1.00 0.00 C ATOM 1506 CG ASN A 99 -10.554 6.618 -5.347 1.00 0.00 C ATOM 1507 OD1 ASN A 99 -11.064 5.819 -4.571 1.00 0.00 O ATOM 1508 ND2 ASN A 99 -11.267 7.504 -6.024 1.00 0.00 N ATOM 0 H ASN A 99 -7.022 6.867 -7.288 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.716 4.648 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.544 6.375 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.743 7.644 -5.845 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.280 7.539 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.804 8.152 -6.661 1.00 0.00 H new ATOM 1515 N VAL A 100 -10.193 4.758 -8.267 1.00 0.00 N ATOM 1516 CA VAL A 100 -11.077 4.787 -9.415 1.00 0.00 C ATOM 1517 C VAL A 100 -12.524 4.703 -8.969 1.00 0.00 C ATOM 1518 O VAL A 100 -13.049 3.618 -8.721 1.00 0.00 O ATOM 1519 CB VAL A 100 -10.780 3.642 -10.405 1.00 0.00 C ATOM 1520 CG1 VAL A 100 -11.668 3.759 -11.633 1.00 0.00 C ATOM 1521 CG2 VAL A 100 -9.311 3.645 -10.802 1.00 0.00 C ATOM 0 H VAL A 100 -10.148 3.858 -7.789 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.902 5.732 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.998 2.694 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.446 2.944 -12.322 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.714 3.705 -11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.482 4.712 -12.127 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.121 2.830 -11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.064 4.595 -11.277 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.694 3.512 -9.913 1.00 0.00 H new ATOM 1531 N ASN A 101 -13.145 5.866 -8.822 1.00 0.00 N ATOM 1532 CA ASN A 101 -14.544 5.968 -8.423 1.00 0.00 C ATOM 1533 C ASN A 101 -14.803 5.314 -7.061 1.00 0.00 C ATOM 1534 O ASN A 101 -15.916 4.874 -6.770 1.00 0.00 O ATOM 1535 CB ASN A 101 -15.452 5.357 -9.493 1.00 0.00 C ATOM 1536 CG ASN A 101 -16.903 5.764 -9.315 1.00 0.00 C ATOM 1537 OD1 ASN A 101 -17.194 6.848 -8.808 1.00 0.00 O ATOM 1538 ND2 ASN A 101 -17.823 4.903 -9.722 1.00 0.00 N ATOM 0 H ASN A 101 -12.693 6.767 -8.976 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.777 7.028 -8.323 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -15.108 5.668 -10.480 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -15.374 4.270 -9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -18.813 5.128 -9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -17.542 4.015 -10.137 1.00 0.00 H new ATOM 1545 N GLY A 102 -13.770 5.232 -6.234 1.00 0.00 N ATOM 1546 CA GLY A 102 -13.940 4.674 -4.903 1.00 0.00 C ATOM 1547 C GLY A 102 -13.274 3.327 -4.713 1.00 0.00 C ATOM 1548 O GLY A 102 -13.599 2.598 -3.774 1.00 0.00 O ATOM 0 H GLY A 102 -12.823 5.539 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.536 5.374 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.005 4.574 -4.695 1.00 0.00 H new ATOM 1552 N ARG A 103 -12.354 2.979 -5.597 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.656 1.710 -5.482 1.00 0.00 C ATOM 1554 C ARG A 103 -10.151 1.914 -5.593 1.00 0.00 C ATOM 1555 O ARG A 103 -9.677 2.678 -6.436 1.00 0.00 O ATOM 1556 CB ARG A 103 -12.161 0.725 -6.541 1.00 0.00 C ATOM 1557 CG ARG A 103 -11.668 0.998 -7.955 1.00 0.00 C ATOM 1558 CD ARG A 103 -12.441 0.179 -8.974 1.00 0.00 C ATOM 1559 NE ARG A 103 -13.856 0.546 -9.000 1.00 0.00 N ATOM 1560 CZ ARG A 103 -14.807 -0.160 -9.614 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -14.508 -1.289 -10.242 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -16.062 0.265 -9.579 1.00 0.00 N ATOM 0 H ARG A 103 -12.075 3.551 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.864 1.286 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -11.858 -0.282 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.251 0.742 -6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.774 2.059 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.606 0.762 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.008 0.327 -9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.344 -0.881 -8.739 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.135 1.399 -8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.545 -1.624 -10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.241 -1.823 -10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.295 1.126 -9.085 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.795 -0.269 -10.046 1.00 0.00 H new ATOM 1576 N LEU A 104 -9.409 1.249 -4.719 1.00 0.00 N ATOM 1577 CA LEU A 104 -7.958 1.349 -4.712 1.00 0.00 C ATOM 1578 C LEU A 104 -7.350 0.378 -5.716 1.00 0.00 C ATOM 1579 O LEU A 104 -7.626 -0.822 -5.681 1.00 0.00 O ATOM 1580 CB LEU A 104 -7.409 1.073 -3.308 1.00 0.00 C ATOM 1581 CG LEU A 104 -7.820 2.081 -2.233 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -7.150 1.748 -0.909 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -7.481 3.496 -2.664 1.00 0.00 C ATOM 0 H LEU A 104 -9.791 0.632 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.683 2.363 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.737 0.081 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.321 1.047 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.900 2.018 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.453 2.475 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.449 0.749 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.067 1.781 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.782 4.196 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.407 3.578 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.010 3.732 -3.587 1.00 0.00 H new ATOM 1595 N VAL A 105 -6.536 0.905 -6.618 1.00 0.00 N ATOM 1596 CA VAL A 105 -5.886 0.091 -7.632 1.00 0.00 C ATOM 1597 C VAL A 105 -4.405 0.451 -7.728 1.00 0.00 C ATOM 1598 O VAL A 105 -4.042 1.625 -7.769 1.00 0.00 O ATOM 1599 CB VAL A 105 -6.569 0.253 -9.014 1.00 0.00 C ATOM 1600 CG1 VAL A 105 -6.540 1.700 -9.479 1.00 0.00 C ATOM 1601 CG2 VAL A 105 -5.924 -0.656 -10.050 1.00 0.00 C ATOM 0 H VAL A 105 -6.309 1.898 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.981 -0.953 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.612 -0.042 -8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.027 1.780 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.066 2.325 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.506 2.035 -9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.422 -0.523 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.869 -0.402 -10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.019 -1.694 -9.733 1.00 0.00 H new ATOM 1611 N PHE A 106 -3.554 -0.563 -7.734 1.00 0.00 N ATOM 1612 CA PHE A 106 -2.114 -0.352 -7.811 1.00 0.00 C ATOM 1613 C PHE A 106 -1.675 -0.186 -9.266 1.00 0.00 C ATOM 1614 O PHE A 106 -2.243 -0.801 -10.171 1.00 0.00 O ATOM 1615 CB PHE A 106 -1.367 -1.527 -7.164 1.00 0.00 C ATOM 1616 CG PHE A 106 -1.279 -2.750 -8.040 1.00 0.00 C ATOM 1617 CD1 PHE A 106 -2.413 -3.484 -8.353 1.00 0.00 C ATOM 1618 CD2 PHE A 106 -0.060 -3.158 -8.556 1.00 0.00 C ATOM 1619 CE1 PHE A 106 -2.329 -4.600 -9.165 1.00 0.00 C ATOM 1620 CE2 PHE A 106 0.029 -4.272 -9.365 1.00 0.00 C ATOM 1621 CZ PHE A 106 -1.107 -4.993 -9.670 1.00 0.00 C ATOM 0 H PHE A 106 -3.835 -1.542 -7.686 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.870 0.561 -7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.359 -1.205 -6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.867 -1.794 -6.233 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -3.372 -3.181 -7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.832 -2.597 -8.322 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.219 -5.163 -9.404 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.987 -4.579 -9.759 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.040 -5.865 -10.304 1.00 0.00 H new ATOM 1631 N GLN A 107 -0.685 0.662 -9.490 1.00 0.00 N ATOM 1632 CA GLN A 107 -0.165 0.890 -10.826 1.00 0.00 C ATOM 1633 C GLN A 107 1.057 0.013 -11.048 1.00 0.00 C ATOM 1634 O GLN A 107 0.932 -1.008 -11.758 1.00 0.00 O ATOM 1635 CB GLN A 107 0.176 2.375 -11.017 1.00 0.00 C ATOM 1636 CG GLN A 107 0.543 2.769 -12.443 1.00 0.00 C ATOM 1637 CD GLN A 107 2.042 2.816 -12.683 1.00 0.00 C ATOM 1638 OE1 GLN A 107 2.685 3.835 -12.440 1.00 0.00 O ATOM 1639 NE2 GLN A 107 2.603 1.732 -13.190 1.00 0.00 N ATOM 1640 OXT GLN A 107 2.128 0.329 -10.491 1.00 0.00 O ATOM 0 H GLN A 107 -0.224 1.205 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.923 0.625 -11.564 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.678 2.973 -10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.007 2.630 -10.359 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.092 2.059 -13.137 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.115 3.747 -12.665 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.036 0.905 -13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.603 1.722 -13.393 1.00 0.00 H new TER 1649 GLN A 107