USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 584 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 21 ASN : amide:sc= 0.803 K(o=0.79,f=-6.5!) USER MOD Set 1.2: A 27 SER OG : rot 80:sc=-0.00933 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 15 HIS : no HD1:sc= 0.539 K(o=0.54,f=-6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0.817) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= 1.01 (180deg=0.0175) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 78:sc= 0.778 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.172 F(o=-2.3!,f=-0.17) USER MOD Single : A 49 THR OG1 : rot 70:sc= 0.524 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 0.622 (180deg=0.27) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0.463 (180deg=0.459) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.973 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : +bothHN:sc= 0.923 K(o=0.92,f=-7.3!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0149 F(o=-1.5,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -8.956 -5.187 -9.440 1.00 52.45 N ATOM 35 CA VAL A 3 -8.541 -4.920 -8.066 1.00 1.22 C ATOM 36 C VAL A 3 -7.725 -6.075 -7.483 1.00 71.53 C ATOM 37 O VAL A 3 -6.767 -5.848 -6.748 1.00 50.42 O ATOM 38 CB VAL A 3 -9.748 -4.597 -7.151 1.00 42.24 C ATOM 39 CG1 VAL A 3 -10.670 -5.797 -6.995 1.00 30.31 C ATOM 40 CG2 VAL A 3 -9.271 -4.094 -5.794 1.00 74.44 C ATOM 0 HA VAL A 3 -7.901 -4.039 -8.103 1.00 1.22 H new ATOM 0 HB VAL A 3 -10.325 -3.805 -7.628 1.00 42.24 H new ATOM 0 HG11 VAL A 3 -11.505 -5.532 -6.346 1.00 30.31 H new ATOM 0 HG12 VAL A 3 -11.050 -6.094 -7.973 1.00 30.31 H new ATOM 0 HG13 VAL A 3 -10.117 -6.626 -6.554 1.00 30.31 H new ATOM 0 HG21 VAL A 3 -10.133 -3.872 -5.165 1.00 74.44 H new ATOM 0 HG22 VAL A 3 -8.660 -4.860 -5.316 1.00 74.44 H new ATOM 0 HG23 VAL A 3 -8.678 -3.189 -5.929 1.00 74.44 H new ATOM 50 N ASP A 4 -8.084 -7.306 -7.835 1.00 12.54 N ATOM 51 CA ASP A 4 -7.351 -8.476 -7.356 1.00 54.35 C ATOM 52 C ASP A 4 -5.911 -8.430 -7.859 1.00 44.22 C ATOM 53 O ASP A 4 -4.977 -8.819 -7.159 1.00 40.53 O ATOM 54 CB ASP A 4 -8.035 -9.765 -7.819 1.00 52.05 C ATOM 55 CG ASP A 4 -7.482 -11.004 -7.135 1.00 24.53 C ATOM 56 OD1 ASP A 4 -6.487 -11.574 -7.630 1.00 51.21 O ATOM 57 OD2 ASP A 4 -8.049 -11.423 -6.101 1.00 73.24 O ATOM 0 H ASP A 4 -8.872 -7.520 -8.446 1.00 12.54 H new ATOM 0 HA ASP A 4 -7.346 -8.463 -6.266 1.00 54.35 H new ATOM 0 HB2 ASP A 4 -9.105 -9.694 -7.622 1.00 52.05 H new ATOM 0 HB3 ASP A 4 -7.915 -9.867 -8.898 1.00 52.05 H new ATOM 62 N HIS A 5 -5.741 -7.915 -9.073 1.00 31.23 N ATOM 63 CA HIS A 5 -4.422 -7.744 -9.666 1.00 3.22 C ATOM 64 C HIS A 5 -3.721 -6.524 -9.065 1.00 3.23 C ATOM 65 O HIS A 5 -2.504 -6.533 -8.875 1.00 71.20 O ATOM 66 CB HIS A 5 -4.542 -7.603 -11.193 1.00 62.53 C ATOM 67 CG HIS A 5 -3.236 -7.372 -11.896 1.00 65.03 C ATOM 68 ND1 HIS A 5 -3.042 -6.360 -12.813 1.00 12.32 N ATOM 69 CD2 HIS A 5 -2.055 -8.029 -11.809 1.00 13.01 C ATOM 70 CE1 HIS A 5 -1.798 -6.406 -13.257 1.00 73.54 C ATOM 71 NE2 HIS A 5 -1.179 -7.410 -12.666 1.00 10.23 N ATOM 0 H HIS A 5 -6.509 -7.607 -9.669 1.00 31.23 H new ATOM 0 HA HIS A 5 -3.821 -8.626 -9.446 1.00 3.22 H new ATOM 0 HB2 HIS A 5 -5.003 -8.506 -11.594 1.00 62.53 H new ATOM 0 HB3 HIS A 5 -5.214 -6.775 -11.418 1.00 62.53 H new ATOM 0 HD2 HIS A 5 -1.842 -8.882 -11.182 1.00 13.01 H new ATOM 0 HE1 HIS A 5 -1.362 -5.735 -13.982 1.00 73.54 H new ATOM 0 HE2 HIS A 5 -0.208 -7.682 -12.821 1.00 10.23 H new ATOM 80 N GLU A 6 -4.490 -5.480 -8.759 1.00 45.55 N ATOM 81 CA GLU A 6 -3.926 -4.264 -8.177 1.00 22.25 C ATOM 82 C GLU A 6 -3.379 -4.529 -6.780 1.00 20.12 C ATOM 83 O GLU A 6 -2.420 -3.890 -6.356 1.00 44.24 O ATOM 84 CB GLU A 6 -4.957 -3.125 -8.148 1.00 1.14 C ATOM 85 CG GLU A 6 -5.339 -2.633 -9.536 1.00 73.21 C ATOM 86 CD GLU A 6 -6.171 -1.362 -9.523 1.00 3.24 C ATOM 87 OE1 GLU A 6 -5.595 -0.267 -9.368 1.00 31.31 O ATOM 88 OE2 GLU A 6 -7.400 -1.455 -9.711 1.00 41.12 O ATOM 0 H GLU A 6 -5.499 -5.452 -8.903 1.00 45.55 H new ATOM 0 HA GLU A 6 -3.099 -3.950 -8.814 1.00 22.25 H new ATOM 0 HB2 GLU A 6 -5.853 -3.467 -7.630 1.00 1.14 H new ATOM 0 HB3 GLU A 6 -4.554 -2.292 -7.572 1.00 1.14 H new ATOM 0 HG2 GLU A 6 -4.431 -2.457 -10.113 1.00 73.21 H new ATOM 0 HG3 GLU A 6 -5.896 -3.417 -10.050 1.00 73.21 H new ATOM 95 N VAL A 7 -3.977 -5.484 -6.075 1.00 42.54 N ATOM 96 CA VAL A 7 -3.468 -5.903 -4.772 1.00 32.15 C ATOM 97 C VAL A 7 -2.054 -6.474 -4.912 1.00 25.44 C ATOM 98 O VAL A 7 -1.176 -6.200 -4.092 1.00 2.23 O ATOM 99 CB VAL A 7 -4.388 -6.953 -4.106 1.00 12.42 C ATOM 100 CG1 VAL A 7 -3.814 -7.412 -2.771 1.00 14.04 C ATOM 101 CG2 VAL A 7 -5.785 -6.391 -3.908 1.00 24.11 C ATOM 0 H VAL A 7 -4.813 -5.982 -6.382 1.00 42.54 H new ATOM 0 HA VAL A 7 -3.445 -5.020 -4.133 1.00 32.15 H new ATOM 0 HB VAL A 7 -4.448 -7.815 -4.770 1.00 12.42 H new ATOM 0 HG11 VAL A 7 -4.480 -8.150 -2.323 1.00 14.04 H new ATOM 0 HG12 VAL A 7 -2.833 -7.858 -2.931 1.00 14.04 H new ATOM 0 HG13 VAL A 7 -3.719 -6.556 -2.102 1.00 14.04 H new ATOM 0 HG21 VAL A 7 -6.417 -7.145 -3.438 1.00 24.11 H new ATOM 0 HG22 VAL A 7 -5.735 -5.509 -3.269 1.00 24.11 H new ATOM 0 HG23 VAL A 7 -6.207 -6.115 -4.875 1.00 24.11 H new ATOM 111 N ASN A 8 -1.835 -7.246 -5.975 1.00 22.12 N ATOM 112 CA ASN A 8 -0.520 -7.827 -6.248 1.00 1.42 C ATOM 113 C ASN A 8 0.453 -6.738 -6.682 1.00 54.21 C ATOM 114 O ASN A 8 1.660 -6.838 -6.460 1.00 74.42 O ATOM 115 CB ASN A 8 -0.606 -8.903 -7.341 1.00 62.21 C ATOM 116 CG ASN A 8 -1.580 -10.017 -7.004 1.00 72.34 C ATOM 117 OD1 ASN A 8 -1.835 -10.308 -5.838 1.00 62.33 O ATOM 118 ND2 ASN A 8 -2.123 -10.659 -8.028 1.00 41.22 N ATOM 0 H ASN A 8 -2.551 -7.484 -6.662 1.00 22.12 H new ATOM 0 HA ASN A 8 -0.162 -8.293 -5.330 1.00 1.42 H new ATOM 0 HB2 ASN A 8 -0.907 -8.436 -8.279 1.00 62.21 H new ATOM 0 HB3 ASN A 8 0.384 -9.330 -7.501 1.00 62.21 H new ATOM 0 HD21 ASN A 8 -2.777 -11.424 -7.862 1.00 41.22 H new ATOM 0 HD22 ASN A 8 -1.887 -10.389 -8.983 1.00 41.22 H new ATOM 125 N LEU A 9 -0.076 -5.700 -7.305 1.00 0.11 N ATOM 126 CA LEU A 9 0.729 -4.555 -7.675 1.00 11.35 C ATOM 127 C LEU A 9 1.110 -3.772 -6.424 1.00 1.22 C ATOM 128 O LEU A 9 2.246 -3.329 -6.278 1.00 42.25 O ATOM 129 CB LEU A 9 -0.038 -3.668 -8.655 1.00 12.13 C ATOM 130 CG LEU A 9 0.688 -2.397 -9.086 1.00 31.12 C ATOM 131 CD1 LEU A 9 1.981 -2.739 -9.815 1.00 74.31 C ATOM 132 CD2 LEU A 9 -0.215 -1.544 -9.963 1.00 72.34 C ATOM 0 H LEU A 9 -1.060 -5.629 -7.564 1.00 0.11 H new ATOM 0 HA LEU A 9 1.640 -4.897 -8.166 1.00 11.35 H new ATOM 0 HB2 LEU A 9 -0.271 -4.254 -9.544 1.00 12.13 H new ATOM 0 HB3 LEU A 9 -0.988 -3.388 -8.200 1.00 12.13 H new ATOM 0 HG LEU A 9 0.943 -1.824 -8.194 1.00 31.12 H new ATOM 0 HD11 LEU A 9 2.484 -1.820 -10.114 1.00 74.31 H new ATOM 0 HD12 LEU A 9 2.632 -3.310 -9.153 1.00 74.31 H new ATOM 0 HD13 LEU A 9 1.753 -3.333 -10.700 1.00 74.31 H new ATOM 0 HD21 LEU A 9 0.317 -0.641 -10.263 1.00 72.34 H new ATOM 0 HD22 LEU A 9 -0.499 -2.109 -10.851 1.00 72.34 H new ATOM 0 HD23 LEU A 9 -1.110 -1.270 -9.405 1.00 72.34 H new ATOM 144 N LEU A 10 0.152 -3.636 -5.514 1.00 12.24 N ATOM 145 CA LEU A 10 0.375 -2.943 -4.252 1.00 44.14 C ATOM 146 C LEU A 10 1.520 -3.588 -3.480 1.00 74.42 C ATOM 147 O LEU A 10 2.468 -2.911 -3.085 1.00 21.31 O ATOM 148 CB LEU A 10 -0.903 -2.959 -3.404 1.00 61.11 C ATOM 149 CG LEU A 10 -0.817 -2.194 -2.080 1.00 22.13 C ATOM 150 CD1 LEU A 10 -0.599 -0.709 -2.326 1.00 2.03 C ATOM 151 CD2 LEU A 10 -2.071 -2.417 -1.251 1.00 51.44 C ATOM 0 H LEU A 10 -0.794 -4.000 -5.629 1.00 12.24 H new ATOM 0 HA LEU A 10 0.642 -1.909 -4.472 1.00 44.14 H new ATOM 0 HB2 LEU A 10 -1.717 -2.540 -3.995 1.00 61.11 H new ATOM 0 HB3 LEU A 10 -1.165 -3.995 -3.190 1.00 61.11 H new ATOM 0 HG LEU A 10 0.038 -2.577 -1.523 1.00 22.13 H new ATOM 0 HD11 LEU A 10 -0.541 -0.187 -1.371 1.00 2.03 H new ATOM 0 HD12 LEU A 10 0.331 -0.564 -2.876 1.00 2.03 H new ATOM 0 HD13 LEU A 10 -1.430 -0.311 -2.908 1.00 2.03 H new ATOM 0 HD21 LEU A 10 -1.991 -1.865 -0.314 1.00 51.44 H new ATOM 0 HD22 LEU A 10 -2.941 -2.066 -1.806 1.00 51.44 H new ATOM 0 HD23 LEU A 10 -2.182 -3.480 -1.038 1.00 51.44 H new ATOM 163 N VAL A 11 1.442 -4.903 -3.290 1.00 52.34 N ATOM 164 CA VAL A 11 2.473 -5.625 -2.553 1.00 3.25 C ATOM 165 C VAL A 11 3.821 -5.551 -3.271 1.00 12.42 C ATOM 166 O VAL A 11 4.873 -5.563 -2.630 1.00 4.14 O ATOM 167 CB VAL A 11 2.085 -7.101 -2.298 1.00 1.14 C ATOM 168 CG1 VAL A 11 0.871 -7.178 -1.388 1.00 54.33 C ATOM 169 CG2 VAL A 11 1.816 -7.841 -3.597 1.00 52.42 C ATOM 0 H VAL A 11 0.680 -5.487 -3.634 1.00 52.34 H new ATOM 0 HA VAL A 11 2.564 -5.134 -1.584 1.00 3.25 H new ATOM 0 HB VAL A 11 2.930 -7.585 -1.808 1.00 1.14 H new ATOM 0 HG11 VAL A 11 0.610 -8.222 -1.218 1.00 54.33 H new ATOM 0 HG12 VAL A 11 1.100 -6.701 -0.435 1.00 54.33 H new ATOM 0 HG13 VAL A 11 0.031 -6.666 -1.858 1.00 54.33 H new ATOM 0 HG21 VAL A 11 1.547 -8.874 -3.378 1.00 52.42 H new ATOM 0 HG22 VAL A 11 0.997 -7.357 -4.128 1.00 52.42 H new ATOM 0 HG23 VAL A 11 2.712 -7.823 -4.218 1.00 52.42 H new ATOM 179 N GLU A 12 3.781 -5.454 -4.596 1.00 2.20 N ATOM 180 CA GLU A 12 4.993 -5.300 -5.394 1.00 1.01 C ATOM 181 C GLU A 12 5.653 -3.959 -5.081 1.00 74.24 C ATOM 182 O GLU A 12 6.856 -3.888 -4.819 1.00 11.24 O ATOM 183 CB GLU A 12 4.656 -5.377 -6.887 1.00 12.04 C ATOM 184 CG GLU A 12 5.505 -6.368 -7.667 1.00 12.32 C ATOM 185 CD GLU A 12 6.978 -6.016 -7.674 1.00 52.13 C ATOM 186 OE1 GLU A 12 7.388 -5.166 -8.498 1.00 33.01 O ATOM 187 OE2 GLU A 12 7.735 -6.609 -6.880 1.00 61.44 O ATOM 0 H GLU A 12 2.920 -5.479 -5.142 1.00 2.20 H new ATOM 0 HA GLU A 12 5.683 -6.106 -5.146 1.00 1.01 H new ATOM 0 HB2 GLU A 12 3.606 -5.649 -6.998 1.00 12.04 H new ATOM 0 HB3 GLU A 12 4.777 -4.387 -7.327 1.00 12.04 H new ATOM 0 HG2 GLU A 12 5.378 -7.362 -7.238 1.00 12.32 H new ATOM 0 HG3 GLU A 12 5.145 -6.416 -8.695 1.00 12.32 H new ATOM 194 N GLU A 13 4.846 -2.903 -5.085 1.00 45.20 N ATOM 195 CA GLU A 13 5.338 -1.555 -4.820 1.00 55.22 C ATOM 196 C GLU A 13 5.835 -1.432 -3.384 1.00 15.35 C ATOM 197 O GLU A 13 6.826 -0.758 -3.120 1.00 3.51 O ATOM 198 CB GLU A 13 4.241 -0.523 -5.094 1.00 64.23 C ATOM 199 CG GLU A 13 3.676 -0.603 -6.504 1.00 35.34 C ATOM 200 CD GLU A 13 4.737 -0.445 -7.574 1.00 41.12 C ATOM 201 OE1 GLU A 13 5.542 -1.377 -7.769 1.00 23.32 O ATOM 202 OE2 GLU A 13 4.775 0.611 -8.228 1.00 31.11 O ATOM 0 H GLU A 13 3.844 -2.955 -5.270 1.00 45.20 H new ATOM 0 HA GLU A 13 6.176 -1.360 -5.489 1.00 55.22 H new ATOM 0 HB2 GLU A 13 3.432 -0.665 -4.378 1.00 64.23 H new ATOM 0 HB3 GLU A 13 4.643 0.476 -4.928 1.00 64.23 H new ATOM 0 HG2 GLU A 13 3.175 -1.562 -6.635 1.00 35.34 H new ATOM 0 HG3 GLU A 13 2.920 0.172 -6.632 1.00 35.34 H new ATOM 209 N ILE A 14 5.150 -2.096 -2.461 1.00 71.23 N ATOM 210 CA ILE A 14 5.572 -2.113 -1.065 1.00 23.24 C ATOM 211 C ILE A 14 6.902 -2.851 -0.919 1.00 43.43 C ATOM 212 O ILE A 14 7.708 -2.527 -0.056 1.00 73.43 O ATOM 213 CB ILE A 14 4.506 -2.745 -0.144 1.00 34.14 C ATOM 214 CG1 ILE A 14 3.184 -1.985 -0.284 1.00 34.32 C ATOM 215 CG2 ILE A 14 4.971 -2.734 1.311 1.00 64.14 C ATOM 216 CD1 ILE A 14 2.037 -2.591 0.493 1.00 21.00 C ATOM 0 H ILE A 14 4.302 -2.629 -2.653 1.00 71.23 H new ATOM 0 HA ILE A 14 5.701 -1.077 -0.753 1.00 23.24 H new ATOM 0 HB ILE A 14 4.357 -3.782 -0.445 1.00 34.14 H new ATOM 0 HG12 ILE A 14 3.331 -0.958 0.049 1.00 34.32 H new ATOM 0 HG13 ILE A 14 2.912 -1.943 -1.339 1.00 34.32 H new ATOM 0 HG21 ILE A 14 4.204 -3.184 1.941 1.00 64.14 H new ATOM 0 HG22 ILE A 14 5.896 -3.304 1.402 1.00 64.14 H new ATOM 0 HG23 ILE A 14 5.145 -1.706 1.629 1.00 64.14 H new ATOM 0 HD11 ILE A 14 1.138 -1.993 0.340 1.00 21.00 H new ATOM 0 HD12 ILE A 14 1.859 -3.609 0.145 1.00 21.00 H new ATOM 0 HD13 ILE A 14 2.285 -2.608 1.554 1.00 21.00 H new ATOM 228 N HIS A 15 7.128 -3.850 -1.762 1.00 32.24 N ATOM 229 CA HIS A 15 8.397 -4.573 -1.753 1.00 5.32 C ATOM 230 C HIS A 15 9.555 -3.680 -2.200 1.00 13.40 C ATOM 231 O HIS A 15 10.632 -3.719 -1.607 1.00 20.21 O ATOM 232 CB HIS A 15 8.332 -5.820 -2.643 1.00 31.22 C ATOM 233 CG HIS A 15 7.918 -7.066 -1.920 1.00 13.50 C ATOM 234 ND1 HIS A 15 8.699 -8.201 -1.862 1.00 34.13 N ATOM 235 CD2 HIS A 15 6.790 -7.357 -1.229 1.00 42.32 C ATOM 236 CE1 HIS A 15 8.073 -9.129 -1.167 1.00 74.24 C ATOM 237 NE2 HIS A 15 6.918 -8.644 -0.774 1.00 32.05 N ATOM 0 H HIS A 15 6.456 -4.178 -2.456 1.00 32.24 H new ATOM 0 HA HIS A 15 8.577 -4.884 -0.724 1.00 5.32 H new ATOM 0 HB2 HIS A 15 7.632 -5.636 -3.458 1.00 31.22 H new ATOM 0 HB3 HIS A 15 9.311 -5.983 -3.094 1.00 31.22 H new ATOM 0 HD2 HIS A 15 5.949 -6.699 -1.067 1.00 42.32 H new ATOM 0 HE1 HIS A 15 8.447 -10.120 -0.956 1.00 74.24 H new ATOM 0 HE2 HIS A 15 6.225 -9.145 -0.218 1.00 32.05 H new ATOM 246 N ARG A 16 9.343 -2.879 -3.244 1.00 2.24 N ATOM 247 CA ARG A 16 10.424 -2.055 -3.788 1.00 23.20 C ATOM 248 C ARG A 16 10.549 -0.701 -3.069 1.00 51.22 C ATOM 249 O ARG A 16 11.660 -0.233 -2.823 1.00 20.22 O ATOM 250 CB ARG A 16 10.273 -1.865 -5.308 1.00 34.40 C ATOM 251 CG ARG A 16 9.002 -1.155 -5.750 1.00 74.04 C ATOM 252 CD ARG A 16 9.028 -0.867 -7.247 1.00 23.25 C ATOM 253 NE ARG A 16 7.919 -0.010 -7.667 1.00 73.31 N ATOM 254 CZ ARG A 16 8.064 1.252 -8.087 1.00 71.45 C ATOM 255 NH1 ARG A 16 9.278 1.773 -8.236 1.00 44.21 N ATOM 256 NH2 ARG A 16 6.995 1.983 -8.382 1.00 31.23 N ATOM 0 H ARG A 16 8.448 -2.783 -3.724 1.00 2.24 H new ATOM 0 HA ARG A 16 11.352 -2.597 -3.606 1.00 23.20 H new ATOM 0 HB2 ARG A 16 11.131 -1.301 -5.674 1.00 34.40 H new ATOM 0 HB3 ARG A 16 10.308 -2.844 -5.785 1.00 34.40 H new ATOM 0 HG2 ARG A 16 8.135 -1.771 -5.510 1.00 74.04 H new ATOM 0 HG3 ARG A 16 8.892 -0.221 -5.198 1.00 74.04 H new ATOM 0 HD2 ARG A 16 9.972 -0.388 -7.506 1.00 23.25 H new ATOM 0 HD3 ARG A 16 8.986 -1.807 -7.796 1.00 23.25 H new ATOM 0 HE ARG A 16 6.977 -0.399 -7.638 1.00 73.31 H new ATOM 0 HH11 ARG A 16 10.103 1.210 -8.030 1.00 44.21 H new ATOM 0 HH12 ARG A 16 9.384 2.736 -8.556 1.00 44.21 H new ATOM 0 HH21 ARG A 16 6.062 1.582 -8.288 1.00 31.23 H new ATOM 0 HH22 ARG A 16 7.107 2.945 -8.702 1.00 31.23 H new ATOM 270 N LEU A 17 9.423 -0.077 -2.728 1.00 61.35 N ATOM 271 CA LEU A 17 9.447 1.216 -2.034 1.00 20.20 C ATOM 272 C LEU A 17 9.559 1.032 -0.528 1.00 55.34 C ATOM 273 O LEU A 17 9.919 1.962 0.198 1.00 15.44 O ATOM 274 CB LEU A 17 8.187 2.038 -2.326 1.00 24.23 C ATOM 275 CG LEU A 17 8.216 2.900 -3.589 1.00 61.43 C ATOM 276 CD1 LEU A 17 8.197 2.039 -4.836 1.00 3.24 C ATOM 277 CD2 LEU A 17 7.037 3.858 -3.592 1.00 53.23 C ATOM 0 H LEU A 17 8.488 -0.439 -2.917 1.00 61.35 H new ATOM 0 HA LEU A 17 10.322 1.748 -2.407 1.00 20.20 H new ATOM 0 HB2 LEU A 17 7.342 1.354 -2.399 1.00 24.23 H new ATOM 0 HB3 LEU A 17 7.998 2.689 -1.472 1.00 24.23 H new ATOM 0 HG LEU A 17 9.142 3.475 -3.590 1.00 61.43 H new ATOM 0 HD11 LEU A 17 8.218 2.677 -5.719 1.00 3.24 H new ATOM 0 HD12 LEU A 17 9.069 1.385 -4.840 1.00 3.24 H new ATOM 0 HD13 LEU A 17 7.290 1.435 -4.847 1.00 3.24 H new ATOM 0 HD21 LEU A 17 7.066 4.468 -4.495 1.00 53.23 H new ATOM 0 HD22 LEU A 17 6.107 3.290 -3.567 1.00 53.23 H new ATOM 0 HD23 LEU A 17 7.091 4.504 -2.716 1.00 53.23 H new ATOM 289 N GLY A 18 9.236 -0.162 -0.069 1.00 1.22 N ATOM 290 CA GLY A 18 9.195 -0.430 1.345 1.00 12.11 C ATOM 291 C GLY A 18 10.557 -0.396 1.993 1.00 42.32 C ATOM 292 O GLY A 18 11.540 -0.899 1.444 1.00 44.24 O ATOM 0 H GLY A 18 8.999 -0.959 -0.660 1.00 1.22 H new ATOM 0 HA2 GLY A 18 8.550 0.303 1.829 1.00 12.11 H new ATOM 0 HA3 GLY A 18 8.745 -1.409 1.510 1.00 12.11 H new ATOM 296 N SER A 19 10.610 0.217 3.153 1.00 4.24 N ATOM 297 CA SER A 19 11.810 0.245 3.954 1.00 21.51 C ATOM 298 C SER A 19 11.701 -0.817 5.038 1.00 32.30 C ATOM 299 O SER A 19 10.594 -1.219 5.407 1.00 54.30 O ATOM 300 CB SER A 19 11.985 1.629 4.578 1.00 33.52 C ATOM 301 OG SER A 19 11.864 2.642 3.592 1.00 60.23 O ATOM 0 H SER A 19 9.820 0.711 3.568 1.00 4.24 H new ATOM 0 HA SER A 19 12.680 0.038 3.330 1.00 21.51 H new ATOM 0 HB2 SER A 19 11.236 1.780 5.356 1.00 33.52 H new ATOM 0 HB3 SER A 19 12.961 1.696 5.058 1.00 33.52 H new ATOM 0 HG SER A 19 11.977 3.521 4.010 1.00 60.23 H new ATOM 307 N LYS A 20 12.831 -1.283 5.536 1.00 63.40 N ATOM 308 CA LYS A 20 12.823 -2.271 6.596 1.00 11.55 C ATOM 309 C LYS A 20 12.496 -1.629 7.928 1.00 70.41 C ATOM 310 O LYS A 20 13.155 -0.684 8.366 1.00 31.41 O ATOM 311 CB LYS A 20 14.160 -2.997 6.686 1.00 3.54 C ATOM 312 CG LYS A 20 14.303 -4.131 5.689 1.00 33.33 C ATOM 313 CD LYS A 20 15.670 -4.779 5.788 1.00 15.31 C ATOM 314 CE LYS A 20 16.748 -3.869 5.220 1.00 75.44 C ATOM 315 NZ LYS A 20 18.111 -4.456 5.337 1.00 60.03 N ATOM 0 H LYS A 20 13.759 -0.995 5.226 1.00 63.40 H new ATOM 0 HA LYS A 20 12.050 -3.001 6.356 1.00 11.55 H new ATOM 0 HB2 LYS A 20 14.965 -2.280 6.526 1.00 3.54 H new ATOM 0 HB3 LYS A 20 14.282 -3.393 7.694 1.00 3.54 H new ATOM 0 HG2 LYS A 20 13.530 -4.878 5.870 1.00 33.33 H new ATOM 0 HG3 LYS A 20 14.150 -3.752 4.679 1.00 33.33 H new ATOM 0 HD2 LYS A 20 15.894 -5.007 6.830 1.00 15.31 H new ATOM 0 HD3 LYS A 20 15.667 -5.726 5.248 1.00 15.31 H new ATOM 0 HE2 LYS A 20 16.532 -3.667 4.171 1.00 75.44 H new ATOM 0 HE3 LYS A 20 16.722 -2.912 5.741 1.00 75.44 H new ATOM 0 HZ1 LYS A 20 18.808 -3.797 4.936 1.00 60.03 H new ATOM 0 HZ2 LYS A 20 18.331 -4.625 6.339 1.00 60.03 H new ATOM 0 HZ3 LYS A 20 18.147 -5.356 4.818 1.00 60.03 H new ATOM 329 N ASN A 21 11.454 -2.146 8.548 1.00 55.55 N ATOM 330 CA ASN A 21 11.026 -1.702 9.861 1.00 71.24 C ATOM 331 C ASN A 21 11.995 -2.223 10.913 1.00 3.51 C ATOM 332 O ASN A 21 12.926 -2.970 10.601 1.00 75.22 O ATOM 333 CB ASN A 21 9.621 -2.240 10.139 1.00 63.35 C ATOM 334 CG ASN A 21 8.807 -1.393 11.092 1.00 54.20 C ATOM 335 OD1 ASN A 21 9.337 -0.740 11.988 1.00 21.21 O ATOM 336 ND2 ASN A 21 7.501 -1.407 10.892 1.00 24.41 N ATOM 0 H ASN A 21 10.877 -2.889 8.154 1.00 55.55 H new ATOM 0 HA ASN A 21 11.012 -0.613 9.896 1.00 71.24 H new ATOM 0 HB2 ASN A 21 9.083 -2.323 9.195 1.00 63.35 H new ATOM 0 HB3 ASN A 21 9.705 -3.247 10.547 1.00 63.35 H new ATOM 0 HD21 ASN A 21 6.887 -0.860 11.495 1.00 24.41 H new ATOM 0 HD22 ASN A 21 7.107 -1.965 10.135 1.00 24.41 H new ATOM 343 N ALA A 22 11.755 -1.866 12.157 1.00 31.15 N ATOM 344 CA ALA A 22 12.599 -2.317 13.256 1.00 10.13 C ATOM 345 C ALA A 22 12.338 -3.789 13.551 1.00 70.04 C ATOM 346 O ALA A 22 13.119 -4.454 14.226 1.00 45.03 O ATOM 347 CB ALA A 22 12.357 -1.468 14.495 1.00 72.05 C ATOM 0 H ALA A 22 10.982 -1.263 12.438 1.00 31.15 H new ATOM 0 HA ALA A 22 13.643 -2.204 12.965 1.00 10.13 H new ATOM 0 HB1 ALA A 22 12.995 -1.818 15.306 1.00 72.05 H new ATOM 0 HB2 ALA A 22 12.590 -0.426 14.274 1.00 72.05 H new ATOM 0 HB3 ALA A 22 11.312 -1.550 14.794 1.00 72.05 H new ATOM 353 N ASP A 23 11.231 -4.287 13.021 1.00 31.04 N ATOM 354 CA ASP A 23 10.831 -5.676 13.213 1.00 32.14 C ATOM 355 C ASP A 23 11.334 -6.559 12.071 1.00 1.10 C ATOM 356 O ASP A 23 11.368 -7.782 12.188 1.00 12.53 O ATOM 357 CB ASP A 23 9.304 -5.758 13.300 1.00 62.13 C ATOM 358 CG ASP A 23 8.792 -7.174 13.497 1.00 41.01 C ATOM 359 OD1 ASP A 23 8.738 -7.637 14.653 1.00 53.12 O ATOM 360 OD2 ASP A 23 8.414 -7.820 12.498 1.00 64.53 O ATOM 0 H ASP A 23 10.586 -3.744 12.448 1.00 31.04 H new ATOM 0 HA ASP A 23 11.275 -6.039 14.140 1.00 32.14 H new ATOM 0 HB2 ASP A 23 8.960 -5.136 14.126 1.00 62.13 H new ATOM 0 HB3 ASP A 23 8.872 -5.346 12.388 1.00 62.13 H new ATOM 365 N GLY A 24 11.757 -5.939 10.975 1.00 60.32 N ATOM 366 CA GLY A 24 12.088 -6.701 9.789 1.00 12.22 C ATOM 367 C GLY A 24 10.926 -6.761 8.820 1.00 3.04 C ATOM 368 O GLY A 24 10.999 -7.428 7.788 1.00 34.21 O ATOM 0 H GLY A 24 11.876 -4.930 10.888 1.00 60.32 H new ATOM 0 HA2 GLY A 24 12.950 -6.251 9.296 1.00 12.22 H new ATOM 0 HA3 GLY A 24 12.376 -7.713 10.075 1.00 12.22 H new ATOM 372 N LYS A 25 9.851 -6.059 9.155 1.00 54.44 N ATOM 373 CA LYS A 25 8.702 -5.956 8.268 1.00 11.43 C ATOM 374 C LYS A 25 8.932 -4.859 7.248 1.00 61.52 C ATOM 375 O LYS A 25 9.644 -3.894 7.519 1.00 15.35 O ATOM 376 CB LYS A 25 7.419 -5.656 9.050 1.00 4.12 C ATOM 377 CG LYS A 25 6.934 -6.798 9.926 1.00 60.11 C ATOM 378 CD LYS A 25 5.531 -6.527 10.448 1.00 44.42 C ATOM 379 CE LYS A 25 5.024 -7.650 11.341 1.00 52.05 C ATOM 380 NZ LYS A 25 5.743 -7.701 12.640 1.00 74.24 N ATOM 0 H LYS A 25 9.752 -5.553 10.035 1.00 54.44 H new ATOM 0 HA LYS A 25 8.585 -6.915 7.763 1.00 11.43 H new ATOM 0 HB2 LYS A 25 7.587 -4.780 9.677 1.00 4.12 H new ATOM 0 HB3 LYS A 25 6.630 -5.396 8.344 1.00 4.12 H new ATOM 0 HG2 LYS A 25 6.940 -7.727 9.355 1.00 60.11 H new ATOM 0 HG3 LYS A 25 7.618 -6.934 10.764 1.00 60.11 H new ATOM 0 HD2 LYS A 25 5.527 -5.591 11.007 1.00 44.42 H new ATOM 0 HD3 LYS A 25 4.850 -6.399 9.606 1.00 44.42 H new ATOM 0 HE2 LYS A 25 3.958 -7.514 11.523 1.00 52.05 H new ATOM 0 HE3 LYS A 25 5.141 -8.603 10.825 1.00 52.05 H new ATOM 0 HZ1 LYS A 25 5.249 -8.350 13.285 1.00 74.24 H new ATOM 0 HZ2 LYS A 25 6.714 -8.039 12.486 1.00 74.24 H new ATOM 0 HZ3 LYS A 25 5.770 -6.750 13.060 1.00 74.24 H new ATOM 394 N LEU A 26 8.349 -5.011 6.077 1.00 43.14 N ATOM 395 CA LEU A 26 8.426 -3.974 5.065 1.00 72.44 C ATOM 396 C LEU A 26 7.339 -2.949 5.309 1.00 74.11 C ATOM 397 O LEU A 26 6.184 -3.297 5.551 1.00 32.44 O ATOM 398 CB LEU A 26 8.293 -4.572 3.666 1.00 34.55 C ATOM 399 CG LEU A 26 9.438 -5.495 3.247 1.00 11.25 C ATOM 400 CD1 LEU A 26 9.122 -6.167 1.921 1.00 14.04 C ATOM 401 CD2 LEU A 26 10.744 -4.713 3.154 1.00 35.53 C ATOM 0 H LEU A 26 7.819 -5.838 5.802 1.00 43.14 H new ATOM 0 HA LEU A 26 9.399 -3.487 5.130 1.00 72.44 H new ATOM 0 HB2 LEU A 26 7.358 -5.130 3.613 1.00 34.55 H new ATOM 0 HB3 LEU A 26 8.220 -3.758 2.945 1.00 34.55 H new ATOM 0 HG LEU A 26 9.553 -6.270 4.005 1.00 11.25 H new ATOM 0 HD11 LEU A 26 9.948 -6.820 1.638 1.00 14.04 H new ATOM 0 HD12 LEU A 26 8.211 -6.756 2.020 1.00 14.04 H new ATOM 0 HD13 LEU A 26 8.981 -5.407 1.152 1.00 14.04 H new ATOM 0 HD21 LEU A 26 11.549 -5.384 2.855 1.00 35.53 H new ATOM 0 HD22 LEU A 26 10.640 -3.918 2.415 1.00 35.53 H new ATOM 0 HD23 LEU A 26 10.977 -4.277 4.125 1.00 35.53 H new ATOM 413 N SER A 27 7.717 -1.689 5.297 1.00 5.30 N ATOM 414 CA SER A 27 6.767 -0.619 5.507 1.00 31.42 C ATOM 415 C SER A 27 7.105 0.558 4.607 1.00 24.31 C ATOM 416 O SER A 27 8.276 0.863 4.383 1.00 44.24 O ATOM 417 CB SER A 27 6.788 -0.201 6.978 1.00 74.54 C ATOM 418 OG SER A 27 6.572 -1.325 7.819 1.00 20.32 O ATOM 0 H SER A 27 8.677 -1.381 5.144 1.00 5.30 H new ATOM 0 HA SER A 27 5.764 -0.965 5.255 1.00 31.42 H new ATOM 0 HB2 SER A 27 7.746 0.260 7.217 1.00 74.54 H new ATOM 0 HB3 SER A 27 6.019 0.549 7.160 1.00 74.54 H new ATOM 0 HG SER A 27 7.407 -1.829 7.912 1.00 20.32 H new ATOM 424 N VAL A 28 6.085 1.213 4.087 1.00 72.31 N ATOM 425 CA VAL A 28 6.292 2.332 3.189 1.00 12.20 C ATOM 426 C VAL A 28 5.390 3.497 3.577 1.00 53.40 C ATOM 427 O VAL A 28 4.219 3.306 3.890 1.00 21.02 O ATOM 428 CB VAL A 28 6.042 1.922 1.714 1.00 44.23 C ATOM 429 CG1 VAL A 28 4.633 1.375 1.525 1.00 21.40 C ATOM 430 CG2 VAL A 28 6.299 3.089 0.770 1.00 2.51 C ATOM 0 H VAL A 28 5.107 0.990 4.271 1.00 72.31 H new ATOM 0 HA VAL A 28 7.332 2.647 3.278 1.00 12.20 H new ATOM 0 HB VAL A 28 6.746 1.127 1.469 1.00 44.23 H new ATOM 0 HG11 VAL A 28 4.488 1.096 0.481 1.00 21.40 H new ATOM 0 HG12 VAL A 28 4.495 0.498 2.157 1.00 21.40 H new ATOM 0 HG13 VAL A 28 3.906 2.139 1.801 1.00 21.40 H new ATOM 0 HG21 VAL A 28 6.116 2.773 -0.257 1.00 2.51 H new ATOM 0 HG22 VAL A 28 5.631 3.913 1.021 1.00 2.51 H new ATOM 0 HG23 VAL A 28 7.334 3.417 0.870 1.00 2.51 H new ATOM 440 N LYS A 29 5.943 4.697 3.575 1.00 11.22 N ATOM 441 CA LYS A 29 5.186 5.881 3.902 1.00 70.15 C ATOM 442 C LYS A 29 4.239 6.241 2.769 1.00 2.14 C ATOM 443 O LYS A 29 4.600 6.140 1.591 1.00 42.34 O ATOM 444 CB LYS A 29 6.141 7.032 4.189 1.00 21.25 C ATOM 445 CG LYS A 29 5.756 7.814 5.417 1.00 23.52 C ATOM 446 CD LYS A 29 6.815 8.833 5.799 1.00 1.33 C ATOM 447 CE LYS A 29 8.056 8.161 6.372 1.00 15.41 C ATOM 448 NZ LYS A 29 7.747 7.399 7.615 1.00 51.33 N ATOM 0 H LYS A 29 6.922 4.872 3.348 1.00 11.22 H new ATOM 0 HA LYS A 29 4.586 5.686 4.791 1.00 70.15 H new ATOM 0 HB2 LYS A 29 7.150 6.639 4.315 1.00 21.25 H new ATOM 0 HB3 LYS A 29 6.165 7.702 3.329 1.00 21.25 H new ATOM 0 HG2 LYS A 29 4.809 8.324 5.240 1.00 23.52 H new ATOM 0 HG3 LYS A 29 5.597 7.128 6.249 1.00 23.52 H new ATOM 0 HD2 LYS A 29 7.090 9.420 4.922 1.00 1.33 H new ATOM 0 HD3 LYS A 29 6.405 9.528 6.532 1.00 1.33 H new ATOM 0 HE2 LYS A 29 8.481 7.487 5.628 1.00 15.41 H new ATOM 0 HE3 LYS A 29 8.812 8.916 6.587 1.00 15.41 H new ATOM 0 HZ1 LYS A 29 8.571 7.420 8.249 1.00 51.33 H new ATOM 0 HZ2 LYS A 29 6.931 7.831 8.093 1.00 51.33 H new ATOM 0 HZ3 LYS A 29 7.523 6.413 7.371 1.00 51.33 H new ATOM 462 N PHE A 30 3.035 6.657 3.135 1.00 61.22 N ATOM 463 CA PHE A 30 2.002 6.990 2.168 1.00 75.12 C ATOM 464 C PHE A 30 2.477 8.068 1.200 1.00 5.23 C ATOM 465 O PHE A 30 2.201 7.995 0.009 1.00 34.41 O ATOM 466 CB PHE A 30 0.737 7.450 2.893 1.00 53.04 C ATOM 467 CG PHE A 30 -0.436 7.686 1.982 1.00 33.33 C ATOM 468 CD1 PHE A 30 -1.202 6.624 1.534 1.00 33.44 C ATOM 469 CD2 PHE A 30 -0.776 8.969 1.581 1.00 31.52 C ATOM 470 CE1 PHE A 30 -2.284 6.835 0.701 1.00 12.12 C ATOM 471 CE2 PHE A 30 -1.855 9.186 0.748 1.00 74.04 C ATOM 472 CZ PHE A 30 -2.611 8.117 0.308 1.00 32.30 C ATOM 0 H PHE A 30 2.749 6.772 4.107 1.00 61.22 H new ATOM 0 HA PHE A 30 1.778 6.095 1.588 1.00 75.12 H new ATOM 0 HB2 PHE A 30 0.463 6.701 3.635 1.00 53.04 H new ATOM 0 HB3 PHE A 30 0.955 8.371 3.435 1.00 53.04 H new ATOM 0 HD1 PHE A 30 -0.951 5.619 1.839 1.00 33.44 H new ATOM 0 HD2 PHE A 30 -0.190 9.808 1.924 1.00 31.52 H new ATOM 0 HE1 PHE A 30 -2.873 5.998 0.358 1.00 12.12 H new ATOM 0 HE2 PHE A 30 -2.108 10.190 0.441 1.00 74.04 H new ATOM 0 HZ PHE A 30 -3.457 8.284 -0.343 1.00 32.30 H new ATOM 482 N GLY A 31 3.204 9.055 1.714 1.00 4.45 N ATOM 483 CA GLY A 31 3.688 10.137 0.875 1.00 71.04 C ATOM 484 C GLY A 31 4.657 9.656 -0.188 1.00 10.42 C ATOM 485 O GLY A 31 4.590 10.083 -1.343 1.00 32.25 O ATOM 0 H GLY A 31 3.467 9.125 2.697 1.00 4.45 H new ATOM 0 HA2 GLY A 31 2.841 10.628 0.395 1.00 71.04 H new ATOM 0 HA3 GLY A 31 4.179 10.885 1.498 1.00 71.04 H new ATOM 489 N VAL A 32 5.545 8.745 0.199 1.00 13.42 N ATOM 490 CA VAL A 32 6.536 8.198 -0.720 1.00 62.34 C ATOM 491 C VAL A 32 5.853 7.365 -1.797 1.00 13.21 C ATOM 492 O VAL A 32 6.182 7.462 -2.982 1.00 64.42 O ATOM 493 CB VAL A 32 7.576 7.326 0.022 1.00 3.10 C ATOM 494 CG1 VAL A 32 8.637 6.801 -0.938 1.00 24.44 C ATOM 495 CG2 VAL A 32 8.221 8.114 1.152 1.00 31.52 C ATOM 0 H VAL A 32 5.598 8.370 1.146 1.00 13.42 H new ATOM 0 HA VAL A 32 7.056 9.038 -1.180 1.00 62.34 H new ATOM 0 HB VAL A 32 7.055 6.469 0.448 1.00 3.10 H new ATOM 0 HG11 VAL A 32 9.355 6.191 -0.389 1.00 24.44 H new ATOM 0 HG12 VAL A 32 8.162 6.195 -1.710 1.00 24.44 H new ATOM 0 HG13 VAL A 32 9.154 7.640 -1.403 1.00 24.44 H new ATOM 0 HG21 VAL A 32 8.950 7.486 1.664 1.00 31.52 H new ATOM 0 HG22 VAL A 32 8.722 8.992 0.744 1.00 31.52 H new ATOM 0 HG23 VAL A 32 7.454 8.430 1.859 1.00 31.52 H new ATOM 505 N LEU A 33 4.887 6.560 -1.376 1.00 72.53 N ATOM 506 CA LEU A 33 4.142 5.715 -2.296 1.00 3.32 C ATOM 507 C LEU A 33 3.279 6.579 -3.214 1.00 40.20 C ATOM 508 O LEU A 33 3.270 6.391 -4.427 1.00 55.44 O ATOM 509 CB LEU A 33 3.279 4.720 -1.500 1.00 41.43 C ATOM 510 CG LEU A 33 2.712 3.528 -2.290 1.00 11.33 C ATOM 511 CD1 LEU A 33 2.276 2.425 -1.338 1.00 42.41 C ATOM 512 CD2 LEU A 33 1.534 3.949 -3.156 1.00 73.11 C ATOM 0 H LEU A 33 4.601 6.475 -0.401 1.00 72.53 H new ATOM 0 HA LEU A 33 4.836 5.149 -2.917 1.00 3.32 H new ATOM 0 HB2 LEU A 33 3.877 4.331 -0.676 1.00 41.43 H new ATOM 0 HB3 LEU A 33 2.445 5.266 -1.059 1.00 41.43 H new ATOM 0 HG LEU A 33 3.503 3.155 -2.941 1.00 11.33 H new ATOM 0 HD11 LEU A 33 1.877 1.587 -1.910 1.00 42.41 H new ATOM 0 HD12 LEU A 33 3.132 2.090 -0.753 1.00 42.41 H new ATOM 0 HD13 LEU A 33 1.506 2.806 -0.668 1.00 42.41 H new ATOM 0 HD21 LEU A 33 1.156 3.084 -3.701 1.00 73.11 H new ATOM 0 HD22 LEU A 33 0.744 4.353 -2.524 1.00 73.11 H new ATOM 0 HD23 LEU A 33 1.857 4.712 -3.864 1.00 73.11 H new ATOM 524 N PHE A 34 2.588 7.546 -2.619 1.00 24.30 N ATOM 525 CA PHE A 34 1.688 8.422 -3.358 1.00 33.55 C ATOM 526 C PHE A 34 2.433 9.213 -4.425 1.00 14.23 C ATOM 527 O PHE A 34 1.952 9.357 -5.544 1.00 64.21 O ATOM 528 CB PHE A 34 0.974 9.375 -2.395 1.00 51.23 C ATOM 529 CG PHE A 34 0.000 10.306 -3.063 1.00 34.03 C ATOM 530 CD1 PHE A 34 -1.234 9.849 -3.495 1.00 31.25 C ATOM 531 CD2 PHE A 34 0.319 11.643 -3.253 1.00 33.43 C ATOM 532 CE1 PHE A 34 -2.133 10.703 -4.104 1.00 3.24 C ATOM 533 CE2 PHE A 34 -0.576 12.502 -3.863 1.00 40.12 C ATOM 534 CZ PHE A 34 -1.803 12.031 -4.288 1.00 3.32 C ATOM 0 H PHE A 34 2.636 7.743 -1.619 1.00 24.30 H new ATOM 0 HA PHE A 34 0.949 7.798 -3.860 1.00 33.55 H new ATOM 0 HB2 PHE A 34 0.443 8.787 -1.646 1.00 51.23 H new ATOM 0 HB3 PHE A 34 1.721 9.966 -1.866 1.00 51.23 H new ATOM 0 HD1 PHE A 34 -1.497 8.811 -3.354 1.00 31.25 H new ATOM 0 HD2 PHE A 34 1.276 12.016 -2.921 1.00 33.43 H new ATOM 0 HE1 PHE A 34 -3.092 10.333 -4.435 1.00 3.24 H new ATOM 0 HE2 PHE A 34 -0.316 13.540 -4.007 1.00 40.12 H new ATOM 0 HZ PHE A 34 -2.504 12.701 -4.764 1.00 3.32 H new ATOM 544 N ARG A 35 3.612 9.718 -4.084 1.00 35.15 N ATOM 545 CA ARG A 35 4.389 10.515 -5.025 1.00 1.11 C ATOM 546 C ARG A 35 4.859 9.661 -6.199 1.00 21.34 C ATOM 547 O ARG A 35 4.848 10.106 -7.350 1.00 4.15 O ATOM 548 CB ARG A 35 5.593 11.158 -4.337 1.00 43.24 C ATOM 549 CG ARG A 35 6.283 12.199 -5.203 1.00 54.12 C ATOM 550 CD ARG A 35 7.531 12.757 -4.537 1.00 63.01 C ATOM 551 NE ARG A 35 8.618 11.777 -4.487 1.00 44.33 N ATOM 552 CZ ARG A 35 9.905 12.092 -4.637 1.00 25.11 C ATOM 553 NH1 ARG A 35 10.258 13.352 -4.858 1.00 15.03 N ATOM 554 NH2 ARG A 35 10.837 11.151 -4.573 1.00 11.35 N ATOM 0 H ARG A 35 4.048 9.592 -3.171 1.00 35.15 H new ATOM 0 HA ARG A 35 3.740 11.306 -5.401 1.00 1.11 H new ATOM 0 HB2 ARG A 35 5.267 11.624 -3.407 1.00 43.24 H new ATOM 0 HB3 ARG A 35 6.310 10.382 -4.070 1.00 43.24 H new ATOM 0 HG2 ARG A 35 6.552 11.754 -6.161 1.00 54.12 H new ATOM 0 HG3 ARG A 35 5.589 13.013 -5.413 1.00 54.12 H new ATOM 0 HD2 ARG A 35 7.866 13.641 -5.080 1.00 63.01 H new ATOM 0 HD3 ARG A 35 7.287 13.078 -3.524 1.00 63.01 H new ATOM 0 HE ARG A 35 8.377 10.799 -4.329 1.00 44.33 H new ATOM 0 HH11 ARG A 35 9.545 14.079 -4.913 1.00 15.03 H new ATOM 0 HH12 ARG A 35 11.242 13.593 -4.973 1.00 15.03 H new ATOM 0 HH21 ARG A 35 10.571 10.180 -4.408 1.00 11.35 H new ATOM 0 HH22 ARG A 35 11.820 11.398 -4.689 1.00 11.35 H new ATOM 568 N ASP A 36 5.265 8.429 -5.906 1.00 44.11 N ATOM 569 CA ASP A 36 5.738 7.520 -6.942 1.00 72.22 C ATOM 570 C ASP A 36 4.567 7.093 -7.819 1.00 11.02 C ATOM 571 O ASP A 36 4.670 7.080 -9.048 1.00 63.34 O ATOM 572 CB ASP A 36 6.410 6.290 -6.324 1.00 13.02 C ATOM 573 CG ASP A 36 7.407 5.631 -7.263 1.00 1.13 C ATOM 574 OD1 ASP A 36 6.998 4.817 -8.120 1.00 45.22 O ATOM 575 OD2 ASP A 36 8.619 5.920 -7.140 1.00 32.42 O ATOM 0 H ASP A 36 5.276 8.039 -4.963 1.00 44.11 H new ATOM 0 HA ASP A 36 6.478 8.039 -7.551 1.00 72.22 H new ATOM 0 HB2 ASP A 36 6.920 6.583 -5.406 1.00 13.02 H new ATOM 0 HB3 ASP A 36 5.645 5.565 -6.046 1.00 13.02 H new ATOM 580 N ASP A 37 3.444 6.775 -7.176 1.00 34.35 N ATOM 581 CA ASP A 37 2.239 6.377 -7.895 1.00 43.13 C ATOM 582 C ASP A 37 1.706 7.513 -8.744 1.00 51.25 C ATOM 583 O ASP A 37 1.554 7.355 -9.943 1.00 43.14 O ATOM 584 CB ASP A 37 1.135 5.911 -6.944 1.00 23.53 C ATOM 585 CG ASP A 37 -0.174 5.670 -7.685 1.00 61.11 C ATOM 586 OD1 ASP A 37 -0.288 4.632 -8.369 1.00 53.33 O ATOM 587 OD2 ASP A 37 -1.073 6.531 -7.610 1.00 44.41 O ATOM 0 H ASP A 37 3.346 6.786 -6.161 1.00 34.35 H new ATOM 0 HA ASP A 37 2.526 5.545 -8.538 1.00 43.13 H new ATOM 0 HB2 ASP A 37 1.446 4.993 -6.445 1.00 23.53 H new ATOM 0 HB3 ASP A 37 0.982 6.660 -6.167 1.00 23.53 H new ATOM 592 N LYS A 38 1.488 8.674 -8.135 1.00 72.52 N ATOM 593 CA LYS A 38 0.781 9.776 -8.788 1.00 22.33 C ATOM 594 C LYS A 38 1.448 10.188 -10.097 1.00 5.41 C ATOM 595 O LYS A 38 0.792 10.713 -10.999 1.00 4.01 O ATOM 596 CB LYS A 38 0.711 10.983 -7.853 1.00 61.54 C ATOM 597 CG LYS A 38 -0.304 12.019 -8.293 1.00 31.20 C ATOM 598 CD LYS A 38 -0.158 13.321 -7.524 1.00 33.23 C ATOM 599 CE LYS A 38 1.137 14.036 -7.882 1.00 75.12 C ATOM 600 NZ LYS A 38 1.224 15.378 -7.256 1.00 70.33 N ATOM 0 H LYS A 38 1.792 8.879 -7.183 1.00 72.52 H new ATOM 0 HA LYS A 38 -0.224 9.424 -9.018 1.00 22.33 H new ATOM 0 HB2 LYS A 38 0.461 10.642 -6.848 1.00 61.54 H new ATOM 0 HB3 LYS A 38 1.695 11.449 -7.796 1.00 61.54 H new ATOM 0 HG2 LYS A 38 -0.186 12.212 -9.359 1.00 31.20 H new ATOM 0 HG3 LYS A 38 -1.310 11.624 -8.150 1.00 31.20 H new ATOM 0 HD2 LYS A 38 -1.006 13.971 -7.741 1.00 33.23 H new ATOM 0 HD3 LYS A 38 -0.179 13.117 -6.453 1.00 33.23 H new ATOM 0 HE2 LYS A 38 1.985 13.431 -7.562 1.00 75.12 H new ATOM 0 HE3 LYS A 38 1.208 14.136 -8.965 1.00 75.12 H new ATOM 0 HZ1 LYS A 38 2.121 15.830 -7.526 1.00 70.33 H new ATOM 0 HZ2 LYS A 38 0.429 15.965 -7.581 1.00 70.33 H new ATOM 0 HZ3 LYS A 38 1.183 15.282 -6.221 1.00 70.33 H new ATOM 614 N SER A 39 2.743 9.939 -10.202 1.00 71.42 N ATOM 615 CA SER A 39 3.494 10.289 -11.396 1.00 72.02 C ATOM 616 C SER A 39 3.045 9.454 -12.601 1.00 30.23 C ATOM 617 O SER A 39 3.143 9.899 -13.744 1.00 34.53 O ATOM 618 CB SER A 39 4.989 10.107 -11.135 1.00 30.53 C ATOM 619 OG SER A 39 5.410 10.916 -10.045 1.00 61.32 O ATOM 0 H SER A 39 3.298 9.494 -9.471 1.00 71.42 H new ATOM 0 HA SER A 39 3.299 11.335 -11.635 1.00 72.02 H new ATOM 0 HB2 SER A 39 5.201 9.060 -10.920 1.00 30.53 H new ATOM 0 HB3 SER A 39 5.554 10.370 -12.029 1.00 30.53 H new ATOM 0 HG SER A 39 5.138 10.497 -9.202 1.00 61.32 H new ATOM 625 N ALA A 40 2.546 8.251 -12.340 1.00 4.34 N ATOM 626 CA ALA A 40 2.089 7.358 -13.405 1.00 54.04 C ATOM 627 C ALA A 40 0.616 6.995 -13.238 1.00 72.14 C ATOM 628 O ALA A 40 -0.062 6.628 -14.199 1.00 22.45 O ATOM 629 CB ALA A 40 2.928 6.088 -13.413 1.00 71.34 C ATOM 0 H ALA A 40 2.446 7.869 -11.400 1.00 4.34 H new ATOM 0 HA ALA A 40 2.205 7.884 -14.353 1.00 54.04 H new ATOM 0 HB1 ALA A 40 2.582 5.428 -14.209 1.00 71.34 H new ATOM 0 HB2 ALA A 40 3.974 6.344 -13.583 1.00 71.34 H new ATOM 0 HB3 ALA A 40 2.830 5.581 -12.453 1.00 71.34 H new ATOM 635 N ASN A 41 0.151 7.130 -12.006 1.00 42.45 N ATOM 636 CA ASN A 41 -1.125 6.600 -11.548 1.00 4.35 C ATOM 637 C ASN A 41 -1.216 5.119 -11.871 1.00 53.31 C ATOM 638 O ASN A 41 -1.869 4.701 -12.828 1.00 10.21 O ATOM 639 CB ASN A 41 -2.327 7.361 -12.106 1.00 73.11 C ATOM 640 CG ASN A 41 -3.589 7.048 -11.317 1.00 62.14 C ATOM 641 OD1 ASN A 41 -3.428 6.747 -10.033 1.00 71.00 O flip ATOM 642 ND2 ASN A 41 -4.701 7.087 -11.849 1.00 11.14 N flip ATOM 0 H ASN A 41 0.664 7.625 -11.277 1.00 42.45 H new ATOM 0 HA ASN A 41 -1.161 6.737 -10.467 1.00 4.35 H new ATOM 0 HB2 ASN A 41 -2.130 8.433 -12.073 1.00 73.11 H new ATOM 0 HB3 ASN A 41 -2.474 7.097 -13.153 1.00 73.11 H new ATOM 0 HD21 ASN A 41 -4.785 7.322 -12.838 1.00 11.14 H new ATOM 0 HD22 ASN A 41 -5.536 6.884 -11.300 1.00 11.14 H new ATOM 649 N LEU A 42 -0.503 4.342 -11.077 1.00 30.50 N ATOM 650 CA LEU A 42 -0.427 2.907 -11.252 1.00 33.24 C ATOM 651 C LEU A 42 -1.653 2.258 -10.638 1.00 14.23 C ATOM 652 O LEU A 42 -2.252 1.348 -11.214 1.00 55.51 O ATOM 653 CB LEU A 42 0.847 2.380 -10.590 1.00 65.12 C ATOM 654 CG LEU A 42 2.142 3.044 -11.062 1.00 45.11 C ATOM 655 CD1 LEU A 42 3.322 2.567 -10.233 1.00 12.32 C ATOM 656 CD2 LEU A 42 2.380 2.757 -12.536 1.00 74.40 C ATOM 0 H LEU A 42 0.042 4.692 -10.289 1.00 30.50 H new ATOM 0 HA LEU A 42 -0.396 2.664 -12.314 1.00 33.24 H new ATOM 0 HB2 LEU A 42 0.760 2.513 -9.512 1.00 65.12 H new ATOM 0 HB3 LEU A 42 0.918 1.308 -10.774 1.00 65.12 H new ATOM 0 HG LEU A 42 2.042 4.121 -10.930 1.00 45.11 H new ATOM 0 HD11 LEU A 42 4.233 3.051 -10.585 1.00 12.32 H new ATOM 0 HD12 LEU A 42 3.157 2.821 -9.186 1.00 12.32 H new ATOM 0 HD13 LEU A 42 3.424 1.486 -10.333 1.00 12.32 H new ATOM 0 HD21 LEU A 42 3.305 3.237 -12.855 1.00 74.40 H new ATOM 0 HD22 LEU A 42 2.458 1.681 -12.689 1.00 74.40 H new ATOM 0 HD23 LEU A 42 1.548 3.148 -13.122 1.00 74.40 H new ATOM 668 N PHE A 43 -2.022 2.748 -9.464 1.00 11.21 N ATOM 669 CA PHE A 43 -3.211 2.281 -8.782 1.00 12.13 C ATOM 670 C PHE A 43 -4.403 3.121 -9.201 1.00 32.35 C ATOM 671 O PHE A 43 -4.460 4.320 -8.921 1.00 43.34 O ATOM 672 CB PHE A 43 -3.025 2.357 -7.267 1.00 61.32 C ATOM 673 CG PHE A 43 -1.822 1.607 -6.770 1.00 13.14 C ATOM 674 CD1 PHE A 43 -1.748 0.231 -6.893 1.00 21.04 C ATOM 675 CD2 PHE A 43 -0.764 2.280 -6.181 1.00 70.41 C ATOM 676 CE1 PHE A 43 -0.644 -0.461 -6.437 1.00 65.45 C ATOM 677 CE2 PHE A 43 0.344 1.594 -5.722 1.00 50.52 C ATOM 678 CZ PHE A 43 0.405 0.222 -5.853 1.00 41.22 C ATOM 0 H PHE A 43 -1.508 3.474 -8.964 1.00 11.21 H new ATOM 0 HA PHE A 43 -3.388 1.241 -9.056 1.00 12.13 H new ATOM 0 HB2 PHE A 43 -2.938 3.403 -6.972 1.00 61.32 H new ATOM 0 HB3 PHE A 43 -3.916 1.961 -6.780 1.00 61.32 H new ATOM 0 HD1 PHE A 43 -2.564 -0.308 -7.351 1.00 21.04 H new ATOM 0 HD2 PHE A 43 -0.806 3.354 -6.079 1.00 70.41 H new ATOM 0 HE1 PHE A 43 -0.601 -1.536 -6.537 1.00 65.45 H new ATOM 0 HE2 PHE A 43 1.160 2.131 -5.262 1.00 50.52 H new ATOM 0 HZ PHE A 43 1.271 -0.317 -5.500 1.00 41.22 H new ATOM 688 N GLU A 44 -5.360 2.493 -9.865 1.00 42.41 N ATOM 689 CA GLU A 44 -6.509 3.213 -10.390 1.00 24.04 C ATOM 690 C GLU A 44 -7.390 3.687 -9.241 1.00 25.25 C ATOM 691 O GLU A 44 -8.032 4.740 -9.315 1.00 55.24 O ATOM 692 CB GLU A 44 -7.293 2.330 -11.364 1.00 44.24 C ATOM 693 CG GLU A 44 -8.397 3.062 -12.110 1.00 51.13 C ATOM 694 CD GLU A 44 -9.038 2.210 -13.184 1.00 13.43 C ATOM 695 OE1 GLU A 44 -9.759 1.251 -12.835 1.00 63.42 O ATOM 696 OE2 GLU A 44 -8.823 2.493 -14.381 1.00 34.12 O ATOM 0 H GLU A 44 -5.364 1.490 -10.053 1.00 42.41 H new ATOM 0 HA GLU A 44 -6.164 4.088 -10.941 1.00 24.04 H new ATOM 0 HB2 GLU A 44 -6.600 1.902 -12.089 1.00 44.24 H new ATOM 0 HB3 GLU A 44 -7.731 1.498 -10.812 1.00 44.24 H new ATOM 0 HG2 GLU A 44 -9.161 3.380 -11.400 1.00 51.13 H new ATOM 0 HG3 GLU A 44 -7.987 3.964 -12.564 1.00 51.13 H new ATOM 703 N ALA A 45 -7.393 2.917 -8.167 1.00 2.13 N ATOM 704 CA ALA A 45 -8.062 3.314 -6.945 1.00 1.02 C ATOM 705 C ALA A 45 -7.168 3.011 -5.752 1.00 53.53 C ATOM 706 O ALA A 45 -7.305 1.969 -5.117 1.00 23.13 O ATOM 707 CB ALA A 45 -9.406 2.613 -6.808 1.00 11.44 C ATOM 0 H ALA A 45 -6.935 2.007 -8.119 1.00 2.13 H new ATOM 0 HA ALA A 45 -8.253 4.387 -6.980 1.00 1.02 H new ATOM 0 HB1 ALA A 45 -9.888 2.928 -5.883 1.00 11.44 H new ATOM 0 HB2 ALA A 45 -10.041 2.874 -7.655 1.00 11.44 H new ATOM 0 HB3 ALA A 45 -9.253 1.534 -6.788 1.00 11.44 H new ATOM 713 N LEU A 46 -6.253 3.932 -5.463 1.00 4.35 N ATOM 714 CA LEU A 46 -5.245 3.738 -4.422 1.00 14.15 C ATOM 715 C LEU A 46 -5.881 3.369 -3.082 1.00 63.41 C ATOM 716 O LEU A 46 -5.467 2.407 -2.435 1.00 31.42 O ATOM 717 CB LEU A 46 -4.397 5.009 -4.277 1.00 24.21 C ATOM 718 CG LEU A 46 -3.291 4.951 -3.221 1.00 14.31 C ATOM 719 CD1 LEU A 46 -2.304 3.841 -3.537 1.00 73.40 C ATOM 720 CD2 LEU A 46 -2.569 6.287 -3.128 1.00 33.24 C ATOM 0 H LEU A 46 -6.188 4.831 -5.941 1.00 4.35 H new ATOM 0 HA LEU A 46 -4.606 2.907 -4.721 1.00 14.15 H new ATOM 0 HB2 LEU A 46 -3.942 5.232 -5.242 1.00 24.21 H new ATOM 0 HB3 LEU A 46 -5.060 5.841 -4.037 1.00 24.21 H new ATOM 0 HG LEU A 46 -3.754 4.738 -2.257 1.00 14.31 H new ATOM 0 HD11 LEU A 46 -1.526 3.818 -2.774 1.00 73.40 H new ATOM 0 HD12 LEU A 46 -2.826 2.884 -3.553 1.00 73.40 H new ATOM 0 HD13 LEU A 46 -1.851 4.024 -4.511 1.00 73.40 H new ATOM 0 HD21 LEU A 46 -1.786 6.226 -2.372 1.00 33.24 H new ATOM 0 HD22 LEU A 46 -2.123 6.528 -4.093 1.00 33.24 H new ATOM 0 HD23 LEU A 46 -3.280 7.066 -2.852 1.00 33.24 H new ATOM 732 N VAL A 47 -6.895 4.127 -2.683 1.00 13.03 N ATOM 733 CA VAL A 47 -7.590 3.874 -1.424 1.00 62.03 C ATOM 734 C VAL A 47 -8.264 2.503 -1.449 1.00 61.41 C ATOM 735 O VAL A 47 -8.240 1.770 -0.461 1.00 43.41 O ATOM 736 CB VAL A 47 -8.644 4.964 -1.124 1.00 30.21 C ATOM 737 CG1 VAL A 47 -9.305 4.730 0.227 1.00 50.25 C ATOM 738 CG2 VAL A 47 -8.012 6.346 -1.179 1.00 2.44 C ATOM 0 H VAL A 47 -7.255 4.922 -3.211 1.00 13.03 H new ATOM 0 HA VAL A 47 -6.841 3.896 -0.632 1.00 62.03 H new ATOM 0 HB VAL A 47 -9.417 4.906 -1.890 1.00 30.21 H new ATOM 0 HG11 VAL A 47 -10.042 5.512 0.412 1.00 50.25 H new ATOM 0 HG12 VAL A 47 -9.799 3.758 0.227 1.00 50.25 H new ATOM 0 HG13 VAL A 47 -8.548 4.752 1.011 1.00 50.25 H new ATOM 0 HG21 VAL A 47 -8.769 7.101 -0.965 1.00 2.44 H new ATOM 0 HG22 VAL A 47 -7.215 6.411 -0.438 1.00 2.44 H new ATOM 0 HG23 VAL A 47 -7.599 6.518 -2.173 1.00 2.44 H new ATOM 748 N GLY A 48 -8.835 2.155 -2.598 1.00 11.32 N ATOM 749 CA GLY A 48 -9.507 0.877 -2.746 1.00 50.03 C ATOM 750 C GLY A 48 -8.548 -0.291 -2.635 1.00 50.01 C ATOM 751 O GLY A 48 -8.849 -1.290 -1.979 1.00 12.21 O ATOM 0 H GLY A 48 -8.844 2.739 -3.434 1.00 11.32 H new ATOM 0 HA2 GLY A 48 -10.280 0.784 -1.983 1.00 50.03 H new ATOM 0 HA3 GLY A 48 -10.009 0.842 -3.713 1.00 50.03 H new ATOM 755 N THR A 49 -7.389 -0.160 -3.269 1.00 13.20 N ATOM 756 CA THR A 49 -6.359 -1.186 -3.211 1.00 31.32 C ATOM 757 C THR A 49 -5.887 -1.394 -1.771 1.00 1.43 C ATOM 758 O THR A 49 -5.681 -2.527 -1.327 1.00 21.14 O ATOM 759 CB THR A 49 -5.159 -0.800 -4.094 1.00 41.44 C ATOM 760 OG1 THR A 49 -5.625 -0.318 -5.359 1.00 13.54 O ATOM 761 CG2 THR A 49 -4.241 -1.989 -4.314 1.00 12.13 C ATOM 0 H THR A 49 -7.139 0.653 -3.832 1.00 13.20 H new ATOM 0 HA THR A 49 -6.790 -2.116 -3.583 1.00 31.32 H new ATOM 0 HB THR A 49 -4.597 -0.018 -3.584 1.00 41.44 H new ATOM 0 HG1 THR A 49 -6.062 0.551 -5.237 1.00 13.54 H new ATOM 0 HG21 THR A 49 -3.401 -1.689 -4.941 1.00 12.13 H new ATOM 0 HG22 THR A 49 -3.868 -2.343 -3.353 1.00 12.13 H new ATOM 0 HG23 THR A 49 -4.794 -2.789 -4.806 1.00 12.13 H new ATOM 769 N LEU A 50 -5.732 -0.289 -1.045 1.00 12.10 N ATOM 770 CA LEU A 50 -5.333 -0.335 0.357 1.00 51.23 C ATOM 771 C LEU A 50 -6.373 -1.076 1.187 1.00 24.41 C ATOM 772 O LEU A 50 -6.033 -1.930 2.008 1.00 34.15 O ATOM 773 CB LEU A 50 -5.139 1.080 0.908 1.00 52.51 C ATOM 774 CG LEU A 50 -3.996 1.877 0.277 1.00 22.41 C ATOM 775 CD1 LEU A 50 -3.966 3.292 0.831 1.00 61.13 C ATOM 776 CD2 LEU A 50 -2.662 1.182 0.520 1.00 0.40 C ATOM 0 H LEU A 50 -5.878 0.653 -1.408 1.00 12.10 H new ATOM 0 HA LEU A 50 -4.386 -0.871 0.421 1.00 51.23 H new ATOM 0 HB2 LEU A 50 -6.067 1.636 0.771 1.00 52.51 H new ATOM 0 HB3 LEU A 50 -4.964 1.013 1.982 1.00 52.51 H new ATOM 0 HG LEU A 50 -4.166 1.930 -0.798 1.00 22.41 H new ATOM 0 HD11 LEU A 50 -3.147 3.845 0.372 1.00 61.13 H new ATOM 0 HD12 LEU A 50 -4.910 3.790 0.609 1.00 61.13 H new ATOM 0 HD13 LEU A 50 -3.820 3.257 1.911 1.00 61.13 H new ATOM 0 HD21 LEU A 50 -1.861 1.763 0.064 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -2.485 1.099 1.592 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -2.685 0.186 0.078 1.00 0.40 H new ATOM 788 N LYS A 51 -7.643 -0.746 0.960 1.00 21.33 N ATOM 789 CA LYS A 51 -8.750 -1.394 1.659 1.00 30.23 C ATOM 790 C LYS A 51 -8.735 -2.899 1.423 1.00 45.12 C ATOM 791 O LYS A 51 -8.871 -3.683 2.360 1.00 62.44 O ATOM 792 CB LYS A 51 -10.089 -0.820 1.188 1.00 21.23 C ATOM 793 CG LYS A 51 -10.302 0.642 1.545 1.00 12.44 C ATOM 794 CD LYS A 51 -10.591 0.835 3.025 1.00 74.21 C ATOM 795 CE LYS A 51 -10.882 2.293 3.339 1.00 5.31 C ATOM 796 NZ LYS A 51 -11.457 2.469 4.697 1.00 63.55 N ATOM 0 H LYS A 51 -7.931 -0.030 0.294 1.00 21.33 H new ATOM 0 HA LYS A 51 -8.629 -1.202 2.725 1.00 30.23 H new ATOM 0 HB2 LYS A 51 -10.159 -0.932 0.106 1.00 21.23 H new ATOM 0 HB3 LYS A 51 -10.897 -1.409 1.622 1.00 21.23 H new ATOM 0 HG2 LYS A 51 -9.415 1.214 1.272 1.00 12.44 H new ATOM 0 HG3 LYS A 51 -11.131 1.040 0.960 1.00 12.44 H new ATOM 0 HD2 LYS A 51 -11.443 0.220 3.316 1.00 74.21 H new ATOM 0 HD3 LYS A 51 -9.738 0.496 3.613 1.00 74.21 H new ATOM 0 HE2 LYS A 51 -9.962 2.871 3.258 1.00 5.31 H new ATOM 0 HE3 LYS A 51 -11.575 2.691 2.598 1.00 5.31 H new ATOM 0 HZ1 LYS A 51 -11.640 3.478 4.868 1.00 63.55 H new ATOM 0 HZ2 LYS A 51 -12.349 1.939 4.768 1.00 63.55 H new ATOM 0 HZ3 LYS A 51 -10.786 2.113 5.407 1.00 63.55 H new ATOM 810 N ALA A 52 -8.556 -3.292 0.166 1.00 45.40 N ATOM 811 CA ALA A 52 -8.574 -4.700 -0.218 1.00 22.12 C ATOM 812 C ALA A 52 -7.498 -5.497 0.513 1.00 61.20 C ATOM 813 O ALA A 52 -7.764 -6.574 1.049 1.00 74.12 O ATOM 814 CB ALA A 52 -8.395 -4.835 -1.720 1.00 11.24 C ATOM 0 H ALA A 52 -8.396 -2.650 -0.610 1.00 45.40 H new ATOM 0 HA ALA A 52 -9.543 -5.110 0.068 1.00 22.12 H new ATOM 0 HB1 ALA A 52 -8.410 -5.890 -1.995 1.00 11.24 H new ATOM 0 HB2 ALA A 52 -9.205 -4.315 -2.231 1.00 11.24 H new ATOM 0 HB3 ALA A 52 -7.441 -4.397 -2.014 1.00 11.24 H new ATOM 820 N ALA A 53 -6.287 -4.965 0.545 1.00 3.35 N ATOM 821 CA ALA A 53 -5.177 -5.659 1.179 1.00 42.34 C ATOM 822 C ALA A 53 -5.281 -5.604 2.698 1.00 33.31 C ATOM 823 O ALA A 53 -4.783 -6.490 3.390 1.00 63.41 O ATOM 824 CB ALA A 53 -3.851 -5.086 0.709 1.00 50.44 C ATOM 0 H ALA A 53 -6.048 -4.059 0.142 1.00 3.35 H new ATOM 0 HA ALA A 53 -5.226 -6.707 0.883 1.00 42.34 H new ATOM 0 HB1 ALA A 53 -3.032 -5.618 1.194 1.00 50.44 H new ATOM 0 HB2 ALA A 53 -3.768 -5.200 -0.372 1.00 50.44 H new ATOM 0 HB3 ALA A 53 -3.800 -4.028 0.967 1.00 50.44 H new ATOM 830 N LYS A 54 -5.929 -4.569 3.218 1.00 0.44 N ATOM 831 CA LYS A 54 -6.156 -4.469 4.654 1.00 52.35 C ATOM 832 C LYS A 54 -7.235 -5.464 5.072 1.00 25.30 C ATOM 833 O LYS A 54 -7.176 -6.047 6.152 1.00 11.24 O ATOM 834 CB LYS A 54 -6.542 -3.037 5.043 1.00 23.34 C ATOM 835 CG LYS A 54 -6.509 -2.780 6.542 1.00 20.41 C ATOM 836 CD LYS A 54 -6.643 -1.297 6.863 1.00 75.14 C ATOM 837 CE LYS A 54 -6.512 -1.031 8.359 1.00 60.34 C ATOM 838 NZ LYS A 54 -6.551 0.425 8.678 1.00 44.40 N ATOM 0 H LYS A 54 -6.304 -3.793 2.672 1.00 0.44 H new ATOM 0 HA LYS A 54 -5.233 -4.714 5.180 1.00 52.35 H new ATOM 0 HB2 LYS A 54 -5.864 -2.341 4.549 1.00 23.34 H new ATOM 0 HB3 LYS A 54 -7.544 -2.826 4.669 1.00 23.34 H new ATOM 0 HG2 LYS A 54 -7.317 -3.331 7.023 1.00 20.41 H new ATOM 0 HG3 LYS A 54 -5.574 -3.159 6.956 1.00 20.41 H new ATOM 0 HD2 LYS A 54 -5.878 -0.737 6.325 1.00 75.14 H new ATOM 0 HD3 LYS A 54 -7.609 -0.934 6.512 1.00 75.14 H new ATOM 0 HE2 LYS A 54 -7.318 -1.539 8.888 1.00 60.34 H new ATOM 0 HE3 LYS A 54 -5.576 -1.456 8.721 1.00 60.34 H new ATOM 0 HZ1 LYS A 54 -6.960 0.562 9.624 1.00 44.40 H new ATOM 0 HZ2 LYS A 54 -5.585 0.811 8.659 1.00 44.40 H new ATOM 0 HZ3 LYS A 54 -7.135 0.919 7.974 1.00 44.40 H new ATOM 852 N ARG A 55 -8.204 -5.676 4.186 1.00 14.02 N ATOM 853 CA ARG A 55 -9.254 -6.665 4.408 1.00 61.20 C ATOM 854 C ARG A 55 -8.689 -8.077 4.360 1.00 41.23 C ATOM 855 O ARG A 55 -9.189 -8.975 5.039 1.00 2.24 O ATOM 856 CB ARG A 55 -10.363 -6.505 3.366 1.00 1.42 C ATOM 857 CG ARG A 55 -11.257 -5.305 3.626 1.00 64.34 C ATOM 858 CD ARG A 55 -12.169 -5.546 4.818 1.00 34.12 C ATOM 859 NE ARG A 55 -13.373 -6.288 4.448 1.00 33.13 N ATOM 860 CZ ARG A 55 -13.629 -7.542 4.816 1.00 73.10 C ATOM 861 NH1 ARG A 55 -12.744 -8.221 5.536 1.00 2.42 N ATOM 862 NH2 ARG A 55 -14.775 -8.112 4.467 1.00 14.41 N ATOM 0 H ARG A 55 -8.284 -5.173 3.302 1.00 14.02 H new ATOM 0 HA ARG A 55 -9.674 -6.498 5.400 1.00 61.20 H new ATOM 0 HB2 ARG A 55 -9.913 -6.408 2.378 1.00 1.42 H new ATOM 0 HB3 ARG A 55 -10.973 -7.408 3.352 1.00 1.42 H new ATOM 0 HG2 ARG A 55 -10.643 -4.423 3.807 1.00 64.34 H new ATOM 0 HG3 ARG A 55 -11.858 -5.098 2.741 1.00 64.34 H new ATOM 0 HD2 ARG A 55 -11.625 -6.098 5.585 1.00 34.12 H new ATOM 0 HD3 ARG A 55 -12.454 -4.589 5.256 1.00 34.12 H new ATOM 0 HE ARG A 55 -14.064 -5.813 3.868 1.00 33.13 H new ATOM 0 HH11 ARG A 55 -11.865 -7.782 5.809 1.00 2.42 H new ATOM 0 HH12 ARG A 55 -12.944 -9.181 5.816 1.00 2.42 H new ATOM 0 HH21 ARG A 55 -15.458 -7.590 3.918 1.00 14.41 H new ATOM 0 HH22 ARG A 55 -14.973 -9.072 4.748 1.00 14.41 H new ATOM 876 N ARG A 56 -7.643 -8.268 3.561 1.00 44.54 N ATOM 877 CA ARG A 56 -6.987 -9.568 3.457 1.00 64.41 C ATOM 878 C ARG A 56 -5.874 -9.713 4.493 1.00 75.01 C ATOM 879 O ARG A 56 -5.131 -10.695 4.477 1.00 44.42 O ATOM 880 CB ARG A 56 -6.416 -9.783 2.054 1.00 51.25 C ATOM 881 CG ARG A 56 -7.472 -9.960 0.978 1.00 3.41 C ATOM 882 CD ARG A 56 -6.838 -10.329 -0.355 1.00 43.41 C ATOM 883 NE ARG A 56 -7.835 -10.470 -1.416 1.00 43.35 N ATOM 884 CZ ARG A 56 -7.547 -10.728 -2.691 1.00 43.22 C ATOM 885 NH1 ARG A 56 -6.292 -10.942 -3.068 1.00 50.41 N ATOM 886 NH2 ARG A 56 -8.522 -10.806 -3.580 1.00 34.10 N ATOM 0 H ARG A 56 -7.232 -7.540 2.977 1.00 44.54 H new ATOM 0 HA ARG A 56 -7.744 -10.328 3.651 1.00 64.41 H new ATOM 0 HB2 ARG A 56 -5.787 -8.932 1.795 1.00 51.25 H new ATOM 0 HB3 ARG A 56 -5.773 -10.663 2.066 1.00 51.25 H new ATOM 0 HG2 ARG A 56 -8.175 -10.738 1.278 1.00 3.41 H new ATOM 0 HG3 ARG A 56 -8.044 -9.038 0.870 1.00 3.41 H new ATOM 0 HD2 ARG A 56 -6.115 -9.564 -0.637 1.00 43.41 H new ATOM 0 HD3 ARG A 56 -6.288 -11.264 -0.248 1.00 43.41 H new ATOM 0 HE ARG A 56 -8.817 -10.364 -1.163 1.00 43.35 H new ATOM 0 HH11 ARG A 56 -5.540 -10.910 -2.380 1.00 50.41 H new ATOM 0 HH12 ARG A 56 -6.080 -11.139 -4.046 1.00 50.41 H new ATOM 0 HH21 ARG A 56 -9.490 -10.669 -3.289 1.00 34.10 H new ATOM 0 HH22 ARG A 56 -8.307 -11.003 -4.557 1.00 34.10 H new ATOM 900 N LYS A 57 -5.772 -8.730 5.391 1.00 23.21 N ATOM 901 CA LYS A 57 -4.770 -8.724 6.461 1.00 25.55 C ATOM 902 C LYS A 57 -3.354 -8.761 5.892 1.00 14.51 C ATOM 903 O LYS A 57 -2.417 -9.212 6.549 1.00 23.44 O ATOM 904 CB LYS A 57 -4.985 -9.891 7.433 1.00 11.44 C ATOM 905 CG LYS A 57 -6.306 -9.833 8.188 1.00 45.45 C ATOM 906 CD LYS A 57 -7.456 -10.390 7.366 1.00 61.31 C ATOM 907 CE LYS A 57 -8.786 -10.224 8.079 1.00 34.14 C ATOM 908 NZ LYS A 57 -9.909 -10.782 7.283 1.00 52.20 N ATOM 0 H LYS A 57 -6.383 -7.914 5.397 1.00 23.21 H new ATOM 0 HA LYS A 57 -4.893 -7.793 7.014 1.00 25.55 H new ATOM 0 HB2 LYS A 57 -4.937 -10.827 6.877 1.00 11.44 H new ATOM 0 HB3 LYS A 57 -4.167 -9.906 8.153 1.00 11.44 H new ATOM 0 HG2 LYS A 57 -6.218 -10.397 9.117 1.00 45.45 H new ATOM 0 HG3 LYS A 57 -6.522 -8.800 8.461 1.00 45.45 H new ATOM 0 HD2 LYS A 57 -7.494 -9.883 6.402 1.00 61.31 H new ATOM 0 HD3 LYS A 57 -7.281 -11.447 7.164 1.00 61.31 H new ATOM 0 HE2 LYS A 57 -8.744 -10.722 9.048 1.00 34.14 H new ATOM 0 HE3 LYS A 57 -8.966 -9.166 8.271 1.00 34.14 H new ATOM 0 HZ1 LYS A 57 -10.807 -10.605 7.778 1.00 52.20 H new ATOM 0 HZ2 LYS A 57 -9.933 -10.326 6.349 1.00 52.20 H new ATOM 0 HZ3 LYS A 57 -9.775 -11.806 7.164 1.00 52.20 H new ATOM 922 N ILE A 58 -3.208 -8.263 4.676 1.00 65.44 N ATOM 923 CA ILE A 58 -1.920 -8.215 4.016 1.00 54.32 C ATOM 924 C ILE A 58 -1.128 -7.019 4.515 1.00 70.10 C ATOM 925 O ILE A 58 0.041 -7.136 4.873 1.00 44.55 O ATOM 926 CB ILE A 58 -2.086 -8.130 2.483 1.00 40.40 C ATOM 927 CG1 ILE A 58 -2.857 -9.349 1.973 1.00 25.54 C ATOM 928 CG2 ILE A 58 -0.731 -8.033 1.799 1.00 22.44 C ATOM 929 CD1 ILE A 58 -3.240 -9.257 0.515 1.00 11.21 C ATOM 0 H ILE A 58 -3.976 -7.883 4.123 1.00 65.44 H new ATOM 0 HA ILE A 58 -1.381 -9.132 4.252 1.00 54.32 H new ATOM 0 HB ILE A 58 -2.651 -7.229 2.243 1.00 40.40 H new ATOM 0 HG12 ILE A 58 -2.250 -10.242 2.125 1.00 25.54 H new ATOM 0 HG13 ILE A 58 -3.761 -9.473 2.570 1.00 25.54 H new ATOM 0 HG21 ILE A 58 -0.872 -7.974 0.720 1.00 22.44 H new ATOM 0 HG22 ILE A 58 -0.211 -7.140 2.146 1.00 22.44 H new ATOM 0 HG23 ILE A 58 -0.138 -8.915 2.040 1.00 22.44 H new ATOM 0 HD11 ILE A 58 -3.783 -10.156 0.224 1.00 11.21 H new ATOM 0 HD12 ILE A 58 -3.874 -8.384 0.360 1.00 11.21 H new ATOM 0 HD13 ILE A 58 -2.340 -9.165 -0.093 1.00 11.21 H new ATOM 941 N VAL A 59 -1.781 -5.869 4.554 1.00 2.12 N ATOM 942 CA VAL A 59 -1.151 -4.650 5.031 1.00 0.53 C ATOM 943 C VAL A 59 -2.090 -3.901 5.959 1.00 45.11 C ATOM 944 O VAL A 59 -3.305 -4.096 5.911 1.00 13.02 O ATOM 945 CB VAL A 59 -0.752 -3.709 3.869 1.00 52.22 C ATOM 946 CG1 VAL A 59 0.233 -4.385 2.932 1.00 44.15 C ATOM 947 CG2 VAL A 59 -1.979 -3.237 3.103 1.00 53.41 C ATOM 0 H VAL A 59 -2.751 -5.755 4.260 1.00 2.12 H new ATOM 0 HA VAL A 59 -0.248 -4.948 5.563 1.00 0.53 H new ATOM 0 HB VAL A 59 -0.264 -2.836 4.303 1.00 52.22 H new ATOM 0 HG11 VAL A 59 0.496 -3.701 2.125 1.00 44.15 H new ATOM 0 HG12 VAL A 59 1.132 -4.657 3.484 1.00 44.15 H new ATOM 0 HG13 VAL A 59 -0.221 -5.283 2.513 1.00 44.15 H new ATOM 0 HG21 VAL A 59 -1.670 -2.577 2.292 1.00 53.41 H new ATOM 0 HG22 VAL A 59 -2.504 -4.098 2.690 1.00 53.41 H new ATOM 0 HG23 VAL A 59 -2.643 -2.697 3.777 1.00 53.41 H new ATOM 957 N THR A 60 -1.536 -3.062 6.810 1.00 32.21 N ATOM 958 CA THR A 60 -2.348 -2.180 7.615 1.00 12.23 C ATOM 959 C THR A 60 -1.715 -0.800 7.664 1.00 13.43 C ATOM 960 O THR A 60 -0.492 -0.658 7.596 1.00 14.53 O ATOM 961 CB THR A 60 -2.575 -2.718 9.047 1.00 11.12 C ATOM 962 OG1 THR A 60 -3.619 -1.967 9.681 1.00 64.02 O ATOM 963 CG2 THR A 60 -1.303 -2.640 9.886 1.00 5.22 C ATOM 0 H THR A 60 -0.531 -2.974 6.960 1.00 32.21 H new ATOM 0 HA THR A 60 -3.329 -2.121 7.143 1.00 12.23 H new ATOM 0 HB THR A 60 -2.862 -3.767 8.972 1.00 11.12 H new ATOM 0 HG1 THR A 60 -3.764 -2.309 10.588 1.00 64.02 H new ATOM 0 HG21 THR A 60 -1.502 -3.027 10.885 1.00 5.22 H new ATOM 0 HG22 THR A 60 -0.520 -3.235 9.416 1.00 5.22 H new ATOM 0 HG23 THR A 60 -0.977 -1.602 9.957 1.00 5.22 H new ATOM 971 N TYR A 61 -2.555 0.209 7.754 1.00 75.31 N ATOM 972 CA TYR A 61 -2.102 1.581 7.794 1.00 63.13 C ATOM 973 C TYR A 61 -2.974 2.379 8.746 1.00 32.04 C ATOM 974 O TYR A 61 -4.196 2.203 8.770 1.00 53.32 O ATOM 975 CB TYR A 61 -2.118 2.202 6.387 1.00 14.04 C ATOM 976 CG TYR A 61 -3.471 2.171 5.700 1.00 42.44 C ATOM 977 CD1 TYR A 61 -3.967 0.995 5.152 1.00 71.13 C ATOM 978 CD2 TYR A 61 -4.248 3.318 5.595 1.00 32.12 C ATOM 979 CE1 TYR A 61 -5.198 0.960 4.524 1.00 1.23 C ATOM 980 CE2 TYR A 61 -5.480 3.292 4.968 1.00 23.20 C ATOM 981 CZ TYR A 61 -5.953 2.112 4.436 1.00 73.41 C ATOM 982 OH TYR A 61 -7.179 2.083 3.811 1.00 12.14 O ATOM 0 H TYR A 61 -3.568 0.101 7.801 1.00 75.31 H new ATOM 0 HA TYR A 61 -1.074 1.604 8.155 1.00 63.13 H new ATOM 0 HB2 TYR A 61 -1.784 3.237 6.457 1.00 14.04 H new ATOM 0 HB3 TYR A 61 -1.396 1.675 5.763 1.00 14.04 H new ATOM 0 HD1 TYR A 61 -3.380 0.091 5.218 1.00 71.13 H new ATOM 0 HD2 TYR A 61 -3.883 4.246 6.010 1.00 32.12 H new ATOM 0 HE1 TYR A 61 -5.567 0.036 4.104 1.00 1.23 H new ATOM 0 HE2 TYR A 61 -6.070 4.194 4.895 1.00 23.20 H new ATOM 0 HH TYR A 61 -7.581 2.977 3.837 1.00 12.14 H new ATOM 992 N PRO A 62 -2.346 3.216 9.580 1.00 65.04 N ATOM 993 CA PRO A 62 -3.063 4.121 10.476 1.00 23.31 C ATOM 994 C PRO A 62 -3.914 5.118 9.699 1.00 50.20 C ATOM 995 O PRO A 62 -3.489 5.640 8.664 1.00 40.51 O ATOM 996 CB PRO A 62 -1.946 4.846 11.234 1.00 63.31 C ATOM 997 CG PRO A 62 -0.747 3.975 11.080 1.00 1.21 C ATOM 998 CD PRO A 62 -0.889 3.329 9.734 1.00 15.01 C ATOM 0 HA PRO A 62 -3.753 3.590 11.132 1.00 23.31 H new ATOM 0 HB2 PRO A 62 -1.768 5.839 10.820 1.00 63.31 H new ATOM 0 HB3 PRO A 62 -2.204 4.980 12.284 1.00 63.31 H new ATOM 0 HG2 PRO A 62 0.172 4.558 11.140 1.00 1.21 H new ATOM 0 HG3 PRO A 62 -0.702 3.227 11.871 1.00 1.21 H new ATOM 0 HD2 PRO A 62 -0.445 3.936 8.945 1.00 15.01 H new ATOM 0 HD3 PRO A 62 -0.402 2.355 9.699 1.00 15.01 H new ATOM 1125 N HIS A 71 -1.757 12.697 5.382 1.00 2.12 N ATOM 1126 CA HIS A 71 -1.493 11.274 5.581 1.00 44.10 C ATOM 1127 C HIS A 71 -0.104 10.909 5.049 1.00 33.32 C ATOM 1128 O HIS A 71 0.241 9.734 4.941 1.00 23.55 O ATOM 1129 CB HIS A 71 -2.574 10.450 4.868 1.00 40.44 C ATOM 1130 CG HIS A 71 -2.756 9.056 5.400 1.00 55.30 C ATOM 1131 ND1 HIS A 71 -2.385 7.923 4.703 1.00 40.44 N ATOM 1132 CD2 HIS A 71 -3.315 8.617 6.553 1.00 72.10 C ATOM 1133 CE1 HIS A 71 -2.711 6.852 5.405 1.00 53.33 C ATOM 1134 NE2 HIS A 71 -3.276 7.247 6.529 1.00 21.22 N ATOM 0 HA HIS A 71 -1.518 11.050 6.648 1.00 44.10 H new ATOM 0 HB2 HIS A 71 -3.524 10.980 4.943 1.00 40.44 H new ATOM 0 HB3 HIS A 71 -2.326 10.390 3.808 1.00 40.44 H new ATOM 0 HD1 HIS A 71 -1.931 7.914 3.790 1.00 40.44 H new ATOM 0 HD2 HIS A 71 -3.717 9.232 7.344 1.00 72.10 H new ATOM 0 HE1 HIS A 71 -2.543 5.827 5.108 1.00 53.33 H new ATOM 0 HE2 HIS A 71 -3.628 6.632 7.263 1.00 21.22 H new ATOM 1143 N ASP A 72 0.691 11.934 4.748 1.00 34.44 N ATOM 1144 CA ASP A 72 1.994 11.762 4.092 1.00 3.14 C ATOM 1145 C ASP A 72 2.988 10.980 4.944 1.00 23.03 C ATOM 1146 O ASP A 72 3.726 10.140 4.428 1.00 4.52 O ATOM 1147 CB ASP A 72 2.580 13.138 3.751 1.00 64.54 C ATOM 1148 CG ASP A 72 4.060 13.097 3.404 1.00 43.44 C ATOM 1149 OD1 ASP A 72 4.393 12.865 2.226 1.00 44.21 O ATOM 1150 OD2 ASP A 72 4.893 13.317 4.311 1.00 33.43 O ATOM 0 H ASP A 72 0.455 12.906 4.949 1.00 34.44 H new ATOM 0 HA ASP A 72 1.824 11.181 3.185 1.00 3.14 H new ATOM 0 HB2 ASP A 72 2.029 13.561 2.911 1.00 64.54 H new ATOM 0 HB3 ASP A 72 2.432 13.808 4.598 1.00 64.54 H new ATOM 1155 N ASP A 73 2.990 11.229 6.244 1.00 4.24 N ATOM 1156 CA ASP A 73 3.982 10.629 7.132 1.00 4.41 C ATOM 1157 C ASP A 73 3.476 9.335 7.750 1.00 33.43 C ATOM 1158 O ASP A 73 4.113 8.772 8.641 1.00 2.50 O ATOM 1159 CB ASP A 73 4.376 11.610 8.235 1.00 52.34 C ATOM 1160 CG ASP A 73 3.206 12.002 9.113 1.00 3.22 C ATOM 1161 OD1 ASP A 73 2.396 12.851 8.681 1.00 1.34 O ATOM 1162 OD2 ASP A 73 3.099 11.480 10.243 1.00 74.00 O ATOM 0 H ASP A 73 2.319 11.840 6.710 1.00 4.24 H new ATOM 0 HA ASP A 73 4.858 10.394 6.528 1.00 4.41 H new ATOM 0 HB2 ASP A 73 5.155 11.162 8.853 1.00 52.34 H new ATOM 0 HB3 ASP A 73 4.803 12.506 7.784 1.00 52.34 H new ATOM 1167 N VAL A 74 2.343 8.855 7.269 1.00 1.31 N ATOM 1168 CA VAL A 74 1.767 7.627 7.780 1.00 52.22 C ATOM 1169 C VAL A 74 2.331 6.424 7.031 1.00 34.31 C ATOM 1170 O VAL A 74 2.266 6.358 5.801 1.00 35.43 O ATOM 1171 CB VAL A 74 0.230 7.643 7.670 1.00 74.13 C ATOM 1172 CG1 VAL A 74 -0.354 6.321 8.138 1.00 75.41 C ATOM 1173 CG2 VAL A 74 -0.350 8.803 8.473 1.00 25.24 C ATOM 0 H VAL A 74 1.804 9.298 6.525 1.00 1.31 H new ATOM 0 HA VAL A 74 2.032 7.548 8.834 1.00 52.22 H new ATOM 0 HB VAL A 74 -0.039 7.782 6.623 1.00 74.13 H new ATOM 0 HG11 VAL A 74 -1.440 6.352 8.053 1.00 75.41 H new ATOM 0 HG12 VAL A 74 0.035 5.512 7.520 1.00 75.41 H new ATOM 0 HG13 VAL A 74 -0.077 6.149 9.178 1.00 75.41 H new ATOM 0 HG21 VAL A 74 -1.436 8.800 8.384 1.00 25.24 H new ATOM 0 HG22 VAL A 74 -0.071 8.695 9.521 1.00 25.24 H new ATOM 0 HG23 VAL A 74 0.042 9.744 8.088 1.00 25.24 H new ATOM 1183 N ASP A 75 2.893 5.485 7.781 1.00 45.42 N ATOM 1184 CA ASP A 75 3.525 4.306 7.199 1.00 23.42 C ATOM 1185 C ASP A 75 2.534 3.161 7.057 1.00 51.41 C ATOM 1186 O ASP A 75 1.745 2.891 7.962 1.00 42.33 O ATOM 1187 CB ASP A 75 4.704 3.838 8.059 1.00 74.22 C ATOM 1188 CG ASP A 75 5.829 4.849 8.128 1.00 15.43 C ATOM 1189 OD1 ASP A 75 6.413 5.177 7.078 1.00 73.42 O ATOM 1190 OD2 ASP A 75 6.149 5.314 9.245 1.00 4.04 O ATOM 0 H ASP A 75 2.924 5.517 8.800 1.00 45.42 H new ATOM 0 HA ASP A 75 3.885 4.591 6.210 1.00 23.42 H new ATOM 0 HB2 ASP A 75 4.349 3.629 9.068 1.00 74.22 H new ATOM 0 HB3 ASP A 75 5.090 2.901 7.657 1.00 74.22 H new ATOM 1195 N ILE A 76 2.577 2.504 5.912 1.00 31.42 N ATOM 1196 CA ILE A 76 1.792 1.305 5.671 1.00 0.05 C ATOM 1197 C ILE A 76 2.666 0.086 5.943 1.00 21.54 C ATOM 1198 O ILE A 76 3.712 -0.085 5.313 1.00 24.34 O ATOM 1199 CB ILE A 76 1.255 1.243 4.217 1.00 55.04 C ATOM 1200 CG1 ILE A 76 0.290 2.404 3.924 1.00 22.41 C ATOM 1201 CG2 ILE A 76 0.557 -0.087 3.960 1.00 54.01 C ATOM 1202 CD1 ILE A 76 0.953 3.750 3.717 1.00 44.11 C ATOM 0 H ILE A 76 3.157 2.786 5.122 1.00 31.42 H new ATOM 0 HA ILE A 76 0.930 1.321 6.337 1.00 0.05 H new ATOM 0 HB ILE A 76 2.111 1.333 3.548 1.00 55.04 H new ATOM 0 HG12 ILE A 76 -0.289 2.160 3.033 1.00 22.41 H new ATOM 0 HG13 ILE A 76 -0.416 2.487 4.750 1.00 22.41 H new ATOM 0 HG21 ILE A 76 0.187 -0.112 2.935 1.00 54.01 H new ATOM 0 HG22 ILE A 76 1.263 -0.904 4.111 1.00 54.01 H new ATOM 0 HG23 ILE A 76 -0.279 -0.198 4.650 1.00 54.01 H new ATOM 0 HD11 ILE A 76 0.191 4.504 3.517 1.00 44.11 H new ATOM 0 HD12 ILE A 76 1.508 4.024 4.614 1.00 44.11 H new ATOM 0 HD13 ILE A 76 1.638 3.692 2.871 1.00 44.11 H new ATOM 1214 N ILE A 77 2.246 -0.747 6.885 1.00 2.12 N ATOM 1215 CA ILE A 77 3.058 -1.869 7.335 1.00 33.32 C ATOM 1216 C ILE A 77 2.560 -3.187 6.745 1.00 2.25 C ATOM 1217 O ILE A 77 1.360 -3.475 6.770 1.00 74.44 O ATOM 1218 CB ILE A 77 3.067 -1.958 8.878 1.00 33.23 C ATOM 1219 CG1 ILE A 77 3.560 -0.634 9.469 1.00 72.43 C ATOM 1220 CG2 ILE A 77 3.943 -3.114 9.344 1.00 71.25 C ATOM 1221 CD1 ILE A 77 3.502 -0.572 10.980 1.00 63.10 C ATOM 0 H ILE A 77 1.344 -0.666 7.354 1.00 2.12 H new ATOM 0 HA ILE A 77 4.075 -1.695 6.984 1.00 33.32 H new ATOM 0 HB ILE A 77 2.051 -2.144 9.227 1.00 33.23 H new ATOM 0 HG12 ILE A 77 4.588 -0.466 9.148 1.00 72.43 H new ATOM 0 HG13 ILE A 77 2.961 0.180 9.059 1.00 72.43 H new ATOM 0 HG21 ILE A 77 3.936 -3.160 10.433 1.00 71.25 H new ATOM 0 HG22 ILE A 77 3.557 -4.049 8.939 1.00 71.25 H new ATOM 0 HG23 ILE A 77 4.964 -2.961 8.994 1.00 71.25 H new ATOM 0 HD11 ILE A 77 3.868 0.397 11.319 1.00 63.10 H new ATOM 0 HD12 ILE A 77 2.472 -0.707 11.310 1.00 63.10 H new ATOM 0 HD13 ILE A 77 4.124 -1.362 11.401 1.00 63.10 H new ATOM 1233 N LEU A 78 3.491 -3.973 6.215 1.00 22.33 N ATOM 1234 CA LEU A 78 3.177 -5.272 5.640 1.00 40.23 C ATOM 1235 C LEU A 78 3.038 -6.317 6.745 1.00 55.41 C ATOM 1236 O LEU A 78 3.999 -6.611 7.459 1.00 73.43 O ATOM 1237 CB LEU A 78 4.281 -5.689 4.663 1.00 33.21 C ATOM 1238 CG LEU A 78 4.008 -6.954 3.850 1.00 34.33 C ATOM 1239 CD1 LEU A 78 2.901 -6.708 2.840 1.00 14.00 C ATOM 1240 CD2 LEU A 78 5.276 -7.418 3.151 1.00 72.04 C ATOM 0 H LEU A 78 4.480 -3.727 6.173 1.00 22.33 H new ATOM 0 HA LEU A 78 2.232 -5.201 5.102 1.00 40.23 H new ATOM 0 HB2 LEU A 78 4.457 -4.866 3.970 1.00 33.21 H new ATOM 0 HB3 LEU A 78 5.203 -5.834 5.226 1.00 33.21 H new ATOM 0 HG LEU A 78 3.682 -7.740 4.531 1.00 34.33 H new ATOM 0 HD11 LEU A 78 2.720 -7.619 2.270 1.00 14.00 H new ATOM 0 HD12 LEU A 78 1.989 -6.419 3.363 1.00 14.00 H new ATOM 0 HD13 LEU A 78 3.199 -5.909 2.161 1.00 14.00 H new ATOM 0 HD21 LEU A 78 5.065 -8.320 2.576 1.00 72.04 H new ATOM 0 HD22 LEU A 78 5.629 -6.635 2.481 1.00 72.04 H new ATOM 0 HD23 LEU A 78 6.044 -7.633 3.895 1.00 72.04 H new ATOM 1252 N LEU A 79 1.837 -6.861 6.886 1.00 73.44 N ATOM 1253 CA LEU A 79 1.562 -7.876 7.896 1.00 23.31 C ATOM 1254 C LEU A 79 1.710 -9.266 7.294 1.00 32.14 C ATOM 1255 O LEU A 79 2.282 -10.170 7.909 1.00 13.23 O ATOM 1256 CB LEU A 79 0.145 -7.712 8.448 1.00 50.44 C ATOM 1257 CG LEU A 79 -0.163 -6.353 9.074 1.00 31.51 C ATOM 1258 CD1 LEU A 79 -1.622 -6.290 9.501 1.00 45.43 C ATOM 1259 CD2 LEU A 79 0.755 -6.086 10.259 1.00 41.40 C ATOM 0 H LEU A 79 1.032 -6.615 6.310 1.00 73.44 H new ATOM 0 HA LEU A 79 2.278 -7.753 8.709 1.00 23.31 H new ATOM 0 HB2 LEU A 79 -0.564 -7.889 7.639 1.00 50.44 H new ATOM 0 HB3 LEU A 79 -0.026 -8.485 9.197 1.00 50.44 H new ATOM 0 HG LEU A 79 0.015 -5.579 8.327 1.00 31.51 H new ATOM 0 HD11 LEU A 79 -1.829 -5.317 9.946 1.00 45.43 H new ATOM 0 HD12 LEU A 79 -2.262 -6.435 8.631 1.00 45.43 H new ATOM 0 HD13 LEU A 79 -1.821 -7.073 10.233 1.00 45.43 H new ATOM 0 HD21 LEU A 79 0.519 -5.113 10.690 1.00 41.40 H new ATOM 0 HD22 LEU A 79 0.612 -6.861 11.012 1.00 41.40 H new ATOM 0 HD23 LEU A 79 1.792 -6.092 9.924 1.00 41.40 H new ATOM 1271 N GLN A 80 1.192 -9.420 6.085 1.00 24.42 N ATOM 1272 CA GLN A 80 1.250 -10.681 5.369 1.00 73.24 C ATOM 1273 C GLN A 80 1.958 -10.470 4.040 1.00 52.34 C ATOM 1274 O GLN A 80 1.626 -9.545 3.300 1.00 74.35 O ATOM 1275 CB GLN A 80 -0.170 -11.209 5.128 1.00 71.12 C ATOM 1276 CG GLN A 80 -0.229 -12.498 4.326 1.00 33.03 C ATOM 1277 CD GLN A 80 -1.649 -12.955 4.040 1.00 23.00 C ATOM 1278 OE1 GLN A 80 -2.574 -12.012 3.943 1.00 72.12 O flip ATOM 1279 NE2 GLN A 80 -1.915 -14.149 3.910 1.00 2.11 N flip ATOM 0 H GLN A 80 0.720 -8.674 5.575 1.00 24.42 H new ATOM 0 HA GLN A 80 1.801 -11.412 5.961 1.00 73.24 H new ATOM 0 HB2 GLN A 80 -0.653 -11.372 6.091 1.00 71.12 H new ATOM 0 HB3 GLN A 80 -0.746 -10.444 4.608 1.00 71.12 H new ATOM 0 HG2 GLN A 80 0.298 -12.357 3.383 1.00 33.03 H new ATOM 0 HG3 GLN A 80 0.297 -13.283 4.870 1.00 33.03 H new ATOM 0 HE21 GLN A 80 -1.176 -14.848 3.991 1.00 2.11 H new ATOM 0 HE22 GLN A 80 -2.874 -14.440 3.721 1.00 2.11 H new ATOM 1288 N ASP A 81 2.914 -11.325 3.726 1.00 31.43 N ATOM 1289 CA ASP A 81 3.659 -11.183 2.485 1.00 71.05 C ATOM 1290 C ASP A 81 3.119 -12.137 1.434 1.00 42.44 C ATOM 1291 O ASP A 81 3.168 -13.356 1.596 1.00 23.31 O ATOM 1292 CB ASP A 81 5.153 -11.422 2.707 1.00 11.03 C ATOM 1293 CG ASP A 81 5.974 -11.037 1.491 1.00 54.02 C ATOM 1294 OD1 ASP A 81 5.498 -10.204 0.688 1.00 42.31 O ATOM 1295 OD2 ASP A 81 7.107 -11.547 1.345 1.00 24.05 O ATOM 0 H ASP A 81 3.192 -12.117 4.305 1.00 31.43 H new ATOM 0 HA ASP A 81 3.532 -10.160 2.130 1.00 71.05 H new ATOM 0 HB2 ASP A 81 5.489 -10.846 3.569 1.00 11.03 H new ATOM 0 HB3 ASP A 81 5.322 -12.473 2.941 1.00 11.03 H new