USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 525 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 6 GLN :FLIP amide:sc= -0.0172 F(o=-4.2!,f=0.86) USER MOD Set 1.2: A 35 GLN : amide:sc= 0 K(o=0.86,f=0.23) USER MOD Set 1.3: A 48 THR OG1 : rot -58:sc= 0.88 USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -169:sc=-0.00388 (180deg=-0.124) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 1.13 K(o=1.1,f=-0.035) USER MOD Single : A 4 MET CE :methyl 176:sc= -1.76 (180deg=-2.14) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 14 MET CE :methyl 147:sc= -0.501 (180deg=-3.15!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 155:sc= 1.25 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0384 F(o=-1.3!,f=-0.038) USER MOD Single : A 25 SER OG : rot 8:sc= 0.974 USER MOD Single : A 26 SER OG : rot 53:sc= 0.504 USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.0706 (180deg=-0.419) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.034) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 51 SER OG : rot -159:sc= 1.29 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0532 (180deg=-0.331) USER MOD Single : A 66 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.057) USER MOD Single : A 68 TYR OH : rot -99:sc= 0.303 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.222 -0.747 -0.594 1.00 0.00 N ATOM 2 CA SER A 1 21.708 -0.317 -1.913 1.00 0.00 C ATOM 3 C SER A 1 20.195 -0.503 -1.973 1.00 0.00 C ATOM 4 O SER A 1 19.477 0.339 -2.518 1.00 0.00 O ATOM 5 CB SER A 1 22.387 -1.117 -3.035 1.00 0.00 C ATOM 6 OG SER A 1 22.016 -0.637 -4.320 1.00 0.00 O ATOM 0 H1 SER A 1 23.213 -0.447 -0.493 1.00 0.00 H new ATOM 0 H2 SER A 1 21.650 -0.314 0.159 1.00 0.00 H new ATOM 0 H3 SER A 1 22.165 -1.783 -0.520 1.00 0.00 H new ATOM 0 HA SER A 1 21.937 0.740 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.469 -1.056 -2.922 1.00 0.00 H new ATOM 0 HB3 SER A 1 22.116 -2.169 -2.947 1.00 0.00 H new ATOM 0 HG SER A 1 22.467 -1.167 -5.010 1.00 0.00 H new ATOM 14 N ASN A 2 19.711 -1.601 -1.407 1.00 0.00 N ATOM 15 CA ASN A 2 18.283 -1.868 -1.365 1.00 0.00 C ATOM 16 C ASN A 2 17.946 -2.639 -0.094 1.00 0.00 C ATOM 17 O ASN A 2 18.809 -3.309 0.475 1.00 0.00 O ATOM 18 CB ASN A 2 17.840 -2.652 -2.610 1.00 0.00 C ATOM 19 CG ASN A 2 18.013 -4.154 -2.470 1.00 0.00 C ATOM 20 OD1 ASN A 2 19.094 -4.693 -2.708 1.00 0.00 O ATOM 21 ND2 ASN A 2 16.935 -4.842 -2.123 1.00 0.00 N ATOM 0 H ASN A 2 20.288 -2.320 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 2 17.744 -0.920 -1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 2 16.792 -2.432 -2.815 1.00 0.00 H new ATOM 0 HB3 ASN A 2 18.413 -2.306 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 2 16.982 -5.858 -2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 2 16.058 -4.356 -1.934 1.00 0.00 H new ATOM 28 N ALA A 3 16.704 -2.534 0.352 1.00 0.00 N ATOM 29 CA ALA A 3 16.266 -3.205 1.568 1.00 0.00 C ATOM 30 C ALA A 3 14.758 -3.410 1.552 1.00 0.00 C ATOM 31 O ALA A 3 13.990 -2.457 1.678 1.00 0.00 O ATOM 32 CB ALA A 3 16.681 -2.407 2.796 1.00 0.00 C ATOM 0 H ALA A 3 15.978 -1.988 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 3 16.746 -4.183 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.346 -2.923 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.766 -2.310 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.229 -1.416 2.756 1.00 0.00 H new ATOM 38 N MET A 4 14.339 -4.650 1.386 1.00 0.00 N ATOM 39 CA MET A 4 12.920 -4.971 1.316 1.00 0.00 C ATOM 40 C MET A 4 12.319 -5.112 2.707 1.00 0.00 C ATOM 41 O MET A 4 12.900 -5.751 3.583 1.00 0.00 O ATOM 42 CB MET A 4 12.706 -6.255 0.522 1.00 0.00 C ATOM 43 CG MET A 4 13.093 -6.132 -0.942 1.00 0.00 C ATOM 44 SD MET A 4 12.922 -7.690 -1.832 1.00 0.00 S ATOM 45 CE MET A 4 11.197 -8.046 -1.528 1.00 0.00 C ATOM 0 H MET A 4 14.959 -5.455 1.297 1.00 0.00 H new ATOM 0 HA MET A 4 12.415 -4.149 0.808 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.288 -7.056 0.978 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.657 -6.545 0.590 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.469 -5.375 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 4 14.124 -5.787 -1.014 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.910 -8.946 -2.072 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.040 -8.202 -0.461 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.587 -7.208 -1.866 1.00 0.00 H new ATOM 55 N GLU A 5 11.155 -4.509 2.902 1.00 0.00 N ATOM 56 CA GLU A 5 10.472 -4.555 4.186 1.00 0.00 C ATOM 57 C GLU A 5 9.016 -4.959 4.023 1.00 0.00 C ATOM 58 O GLU A 5 8.380 -4.648 3.013 1.00 0.00 O ATOM 59 CB GLU A 5 10.544 -3.200 4.887 1.00 0.00 C ATOM 60 CG GLU A 5 11.931 -2.840 5.377 1.00 0.00 C ATOM 61 CD GLU A 5 11.914 -1.686 6.355 1.00 0.00 C ATOM 62 OE1 GLU A 5 11.201 -1.777 7.372 1.00 0.00 O ATOM 63 OE2 GLU A 5 12.617 -0.688 6.106 1.00 0.00 O ATOM 0 H GLU A 5 10.662 -3.980 2.183 1.00 0.00 H new ATOM 0 HA GLU A 5 10.978 -5.304 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.199 -2.427 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.858 -3.203 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.383 -3.710 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.559 -2.581 4.525 1.00 0.00 H new ATOM 70 N GLN A 6 8.499 -5.657 5.025 1.00 0.00 N ATOM 71 CA GLN A 6 7.096 -6.035 5.060 1.00 0.00 C ATOM 72 C GLN A 6 6.323 -5.088 5.965 1.00 0.00 C ATOM 73 O GLN A 6 6.567 -5.034 7.173 1.00 0.00 O ATOM 74 CB GLN A 6 6.940 -7.472 5.562 1.00 0.00 C ATOM 75 CG GLN A 6 7.584 -8.519 4.668 1.00 0.00 C ATOM 76 CD GLN A 6 6.804 -8.791 3.393 1.00 0.00 C ATOM 77 OE1 GLN A 6 6.106 -7.791 2.879 1.00 0.00 O flip ATOM 78 NE2 GLN A 6 6.830 -9.904 2.868 1.00 0.00 N flip ATOM 0 H GLN A 6 9.038 -5.975 5.831 1.00 0.00 H new ATOM 0 HA GLN A 6 6.696 -5.971 4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.374 -7.546 6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.878 -7.697 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.590 -8.192 4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.686 -9.449 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.378 -10.654 3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.304 -10.076 2.012 1.00 0.00 H new ATOM 87 N LEU A 7 5.400 -4.341 5.380 1.00 0.00 N ATOM 88 CA LEU A 7 4.596 -3.387 6.132 1.00 0.00 C ATOM 89 C LEU A 7 3.116 -3.682 5.932 1.00 0.00 C ATOM 90 O LEU A 7 2.730 -4.313 4.949 1.00 0.00 O ATOM 91 CB LEU A 7 4.909 -1.954 5.686 1.00 0.00 C ATOM 92 CG LEU A 7 6.366 -1.513 5.868 1.00 0.00 C ATOM 93 CD1 LEU A 7 6.559 -0.093 5.361 1.00 0.00 C ATOM 94 CD2 LEU A 7 6.778 -1.612 7.328 1.00 0.00 C ATOM 0 H LEU A 7 5.188 -4.376 4.383 1.00 0.00 H new ATOM 0 HA LEU A 7 4.840 -3.484 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.645 -1.853 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.268 -1.270 6.242 1.00 0.00 H new ATOM 0 HG LEU A 7 7.000 -2.180 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.599 0.204 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.305 -0.047 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.912 0.584 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.815 -1.295 7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.137 -0.969 7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.677 -2.644 7.665 1.00 0.00 H new ATOM 106 N THR A 8 2.290 -3.238 6.866 1.00 0.00 N ATOM 107 CA THR A 8 0.855 -3.444 6.769 1.00 0.00 C ATOM 108 C THR A 8 0.114 -2.118 6.944 1.00 0.00 C ATOM 109 O THR A 8 0.028 -1.582 8.048 1.00 0.00 O ATOM 110 CB THR A 8 0.372 -4.464 7.820 1.00 0.00 C ATOM 111 OG1 THR A 8 1.228 -5.617 7.801 1.00 0.00 O ATOM 112 CG2 THR A 8 -1.060 -4.895 7.545 1.00 0.00 C ATOM 0 H THR A 8 2.589 -2.733 7.700 1.00 0.00 H new ATOM 0 HA THR A 8 0.637 -3.843 5.778 1.00 0.00 H new ATOM 0 HB THR A 8 0.408 -3.988 8.800 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.921 -6.263 8.470 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.375 -5.614 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.715 -4.024 7.577 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.118 -5.356 6.559 1.00 0.00 H new ATOM 120 N LEU A 9 -0.394 -1.585 5.842 1.00 0.00 N ATOM 121 CA LEU A 9 -1.119 -0.318 5.863 1.00 0.00 C ATOM 122 C LEU A 9 -2.566 -0.542 6.264 1.00 0.00 C ATOM 123 O LEU A 9 -3.156 -1.550 5.899 1.00 0.00 O ATOM 124 CB LEU A 9 -1.076 0.356 4.486 1.00 0.00 C ATOM 125 CG LEU A 9 0.136 1.252 4.218 1.00 0.00 C ATOM 126 CD1 LEU A 9 1.428 0.469 4.318 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.016 1.900 2.849 1.00 0.00 C ATOM 0 H LEU A 9 -0.318 -2.010 4.918 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.636 0.331 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.106 -0.421 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.979 0.954 4.367 1.00 0.00 H new ATOM 0 HG LEU A 9 0.156 2.032 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.271 1.132 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.522 0.048 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.423 -0.337 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.884 2.535 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.032 1.126 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.890 2.505 2.811 1.00 0.00 H new ATOM 139 N GLN A 10 -3.130 0.390 7.016 1.00 0.00 N ATOM 140 CA GLN A 10 -4.541 0.315 7.364 1.00 0.00 C ATOM 141 C GLN A 10 -5.351 1.149 6.390 1.00 0.00 C ATOM 142 O GLN A 10 -4.994 2.285 6.094 1.00 0.00 O ATOM 143 CB GLN A 10 -4.793 0.792 8.793 1.00 0.00 C ATOM 144 CG GLN A 10 -3.977 0.057 9.837 1.00 0.00 C ATOM 145 CD GLN A 10 -4.188 0.602 11.238 1.00 0.00 C ATOM 146 OE1 GLN A 10 -5.251 1.125 11.564 1.00 0.00 O ATOM 147 NE2 GLN A 10 -3.166 0.500 12.072 1.00 0.00 N ATOM 0 H GLN A 10 -2.639 1.200 7.394 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.850 -0.728 7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.570 1.857 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.852 0.674 9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.241 -1.000 9.820 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.920 0.126 9.580 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.299 0.059 11.765 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.245 0.862 13.022 1.00 0.00 H new ATOM 156 N VAL A 11 -6.436 0.584 5.894 1.00 0.00 N ATOM 157 CA VAL A 11 -7.210 1.226 4.848 1.00 0.00 C ATOM 158 C VAL A 11 -8.609 1.580 5.330 1.00 0.00 C ATOM 159 O VAL A 11 -9.486 0.719 5.396 1.00 0.00 O ATOM 160 CB VAL A 11 -7.333 0.315 3.614 1.00 0.00 C ATOM 161 CG1 VAL A 11 -7.860 1.093 2.417 1.00 0.00 C ATOM 162 CG2 VAL A 11 -6.000 -0.342 3.300 1.00 0.00 C ATOM 0 H VAL A 11 -6.801 -0.318 6.199 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.679 2.139 4.579 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.051 -0.473 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.938 0.428 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.844 1.500 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.176 1.909 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.107 -0.982 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.254 0.427 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.681 -0.943 4.152 1.00 0.00 H new ATOM 172 N GLU A 12 -8.812 2.839 5.675 1.00 0.00 N ATOM 173 CA GLU A 12 -10.135 3.319 6.030 1.00 0.00 C ATOM 174 C GLU A 12 -10.833 3.870 4.793 1.00 0.00 C ATOM 175 O GLU A 12 -10.334 4.795 4.147 1.00 0.00 O ATOM 176 CB GLU A 12 -10.048 4.388 7.119 1.00 0.00 C ATOM 177 CG GLU A 12 -9.520 3.864 8.445 1.00 0.00 C ATOM 178 CD GLU A 12 -10.439 2.836 9.071 1.00 0.00 C ATOM 179 OE1 GLU A 12 -11.358 3.232 9.817 1.00 0.00 O ATOM 180 OE2 GLU A 12 -10.256 1.631 8.817 1.00 0.00 O ATOM 0 H GLU A 12 -8.078 3.547 5.717 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.717 2.485 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.402 5.195 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.038 4.817 7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.536 3.421 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.389 4.698 9.135 1.00 0.00 H new ATOM 187 N GLY A 13 -11.971 3.282 4.461 1.00 0.00 N ATOM 188 CA GLY A 13 -12.703 3.688 3.278 1.00 0.00 C ATOM 189 C GLY A 13 -12.650 2.637 2.187 1.00 0.00 C ATOM 190 O GLY A 13 -12.264 2.924 1.056 1.00 0.00 O ATOM 0 H GLY A 13 -12.404 2.526 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.742 3.882 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.291 4.624 2.900 1.00 0.00 H new ATOM 194 N MET A 14 -13.030 1.416 2.528 1.00 0.00 N ATOM 195 CA MET A 14 -13.010 0.315 1.572 1.00 0.00 C ATOM 196 C MET A 14 -14.388 0.081 0.965 1.00 0.00 C ATOM 197 O MET A 14 -14.703 0.617 -0.101 1.00 0.00 O ATOM 198 CB MET A 14 -12.512 -0.965 2.244 1.00 0.00 C ATOM 199 CG MET A 14 -11.003 -1.123 2.247 1.00 0.00 C ATOM 200 SD MET A 14 -10.474 -2.580 3.165 1.00 0.00 S ATOM 201 CE MET A 14 -8.839 -2.829 2.492 1.00 0.00 C ATOM 0 H MET A 14 -13.357 1.160 3.460 1.00 0.00 H new ATOM 0 HA MET A 14 -12.326 0.587 0.768 1.00 0.00 H new ATOM 0 HB2 MET A 14 -12.869 -0.983 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 14 -12.954 -1.823 1.738 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.645 -1.193 1.220 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.547 -0.235 2.684 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.186 -3.237 3.264 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.892 -3.526 1.655 1.00 0.00 H new ATOM 0 HE3 MET A 14 -8.439 -1.876 2.146 1.00 0.00 H new ATOM 211 N SER A 15 -15.199 -0.713 1.662 1.00 0.00 N ATOM 212 CA SER A 15 -16.543 -1.077 1.212 1.00 0.00 C ATOM 213 C SER A 15 -16.500 -1.970 -0.032 1.00 0.00 C ATOM 214 O SER A 15 -16.707 -3.181 0.057 1.00 0.00 O ATOM 215 CB SER A 15 -17.388 0.177 0.949 1.00 0.00 C ATOM 216 OG SER A 15 -18.707 -0.161 0.550 1.00 0.00 O ATOM 0 H SER A 15 -14.942 -1.124 2.559 1.00 0.00 H new ATOM 0 HA SER A 15 -17.012 -1.649 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.425 0.788 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.915 0.780 0.174 1.00 0.00 H new ATOM 0 HG SER A 15 -19.221 0.658 0.391 1.00 0.00 H new ATOM 222 N CYS A 16 -16.211 -1.376 -1.182 1.00 0.00 N ATOM 223 CA CYS A 16 -16.286 -2.084 -2.450 1.00 0.00 C ATOM 224 C CYS A 16 -14.941 -2.698 -2.832 1.00 0.00 C ATOM 225 O CYS A 16 -13.882 -2.205 -2.438 1.00 0.00 O ATOM 226 CB CYS A 16 -16.764 -1.128 -3.544 1.00 0.00 C ATOM 227 SG CYS A 16 -18.357 -0.354 -3.182 1.00 0.00 S ATOM 0 H CYS A 16 -15.921 -0.401 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 16 -16.999 -2.901 -2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.015 -0.349 -3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -16.840 -1.674 -4.484 1.00 0.00 H new ATOM 0 HG CYS A 16 -18.685 0.440 -4.157 1.00 0.00 H new ATOM 233 N GLY A 17 -14.998 -3.779 -3.605 1.00 0.00 N ATOM 234 CA GLY A 17 -13.796 -4.479 -4.021 1.00 0.00 C ATOM 235 C GLY A 17 -12.989 -3.709 -5.050 1.00 0.00 C ATOM 236 O GLY A 17 -11.792 -3.948 -5.210 1.00 0.00 O ATOM 0 H GLY A 17 -15.866 -4.186 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.173 -4.671 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.072 -5.449 -4.435 1.00 0.00 H new ATOM 240 N HIS A 18 -13.636 -2.786 -5.749 1.00 0.00 N ATOM 241 CA HIS A 18 -12.940 -1.948 -6.720 1.00 0.00 C ATOM 242 C HIS A 18 -11.922 -1.057 -6.015 1.00 0.00 C ATOM 243 O HIS A 18 -10.864 -0.748 -6.569 1.00 0.00 O ATOM 244 CB HIS A 18 -13.935 -1.099 -7.521 1.00 0.00 C ATOM 245 CG HIS A 18 -13.306 -0.342 -8.653 1.00 0.00 C ATOM 246 ND1 HIS A 18 -12.801 -0.958 -9.781 1.00 0.00 N ATOM 247 CD2 HIS A 18 -13.105 0.986 -8.831 1.00 0.00 C ATOM 248 CE1 HIS A 18 -12.320 -0.042 -10.601 1.00 0.00 C ATOM 249 NE2 HIS A 18 -12.493 1.143 -10.048 1.00 0.00 N ATOM 0 H HIS A 18 -14.635 -2.598 -5.664 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.412 -2.597 -7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -14.715 -1.748 -7.919 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.420 -0.392 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.376 1.773 -8.143 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.863 -0.231 -11.561 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.216 2.034 -10.460 1.00 0.00 H new ATOM 258 N CYS A 19 -12.243 -0.656 -4.786 1.00 0.00 N ATOM 259 CA CYS A 19 -11.318 0.117 -3.963 1.00 0.00 C ATOM 260 C CYS A 19 -10.054 -0.695 -3.705 1.00 0.00 C ATOM 261 O CYS A 19 -8.938 -0.173 -3.765 1.00 0.00 O ATOM 262 CB CYS A 19 -11.977 0.494 -2.634 1.00 0.00 C ATOM 263 SG CYS A 19 -13.577 1.319 -2.808 1.00 0.00 S ATOM 0 H CYS A 19 -13.138 -0.855 -4.339 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.054 1.032 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -12.109 -0.409 -2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -11.303 1.146 -2.079 1.00 0.00 H new ATOM 0 HG CYS A 19 -14.281 1.131 -1.732 1.00 0.00 H new ATOM 269 N VAL A 20 -10.257 -1.980 -3.428 1.00 0.00 N ATOM 270 CA VAL A 20 -9.173 -2.933 -3.234 1.00 0.00 C ATOM 271 C VAL A 20 -8.215 -2.938 -4.424 1.00 0.00 C ATOM 272 O VAL A 20 -7.004 -2.799 -4.255 1.00 0.00 O ATOM 273 CB VAL A 20 -9.744 -4.354 -3.025 1.00 0.00 C ATOM 274 CG1 VAL A 20 -8.644 -5.394 -2.930 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.617 -4.392 -1.785 1.00 0.00 C ATOM 0 H VAL A 20 -11.186 -2.390 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.618 -2.627 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.351 -4.598 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.087 -6.379 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.061 -5.392 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.993 -5.159 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.013 -5.398 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.024 -4.115 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.443 -3.690 -1.900 1.00 0.00 H new ATOM 285 N ASN A 21 -8.763 -3.085 -5.625 1.00 0.00 N ATOM 286 CA ASN A 21 -7.949 -3.129 -6.837 1.00 0.00 C ATOM 287 C ASN A 21 -7.213 -1.812 -7.051 1.00 0.00 C ATOM 288 O ASN A 21 -6.034 -1.798 -7.421 1.00 0.00 O ATOM 289 CB ASN A 21 -8.814 -3.444 -8.060 1.00 0.00 C ATOM 290 CG ASN A 21 -9.378 -4.854 -8.036 1.00 0.00 C ATOM 291 OD1 ASN A 21 -8.635 -5.785 -7.453 1.00 0.00 O flip ATOM 292 ND2 ASN A 21 -10.466 -5.110 -8.554 1.00 0.00 N flip ATOM 0 H ASN A 21 -9.766 -3.176 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.212 -3.922 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.636 -2.730 -8.111 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.219 -3.311 -8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.009 -4.367 -8.993 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.824 -6.065 -8.544 1.00 0.00 H new ATOM 299 N ALA A 22 -7.910 -0.706 -6.802 1.00 0.00 N ATOM 300 CA ALA A 22 -7.327 0.618 -6.969 1.00 0.00 C ATOM 301 C ALA A 22 -6.107 0.793 -6.075 1.00 0.00 C ATOM 302 O ALA A 22 -5.014 1.068 -6.567 1.00 0.00 O ATOM 303 CB ALA A 22 -8.355 1.701 -6.681 1.00 0.00 C ATOM 0 H ALA A 22 -8.879 -0.703 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.007 0.714 -8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.897 2.681 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.195 1.598 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.711 1.601 -5.656 1.00 0.00 H new ATOM 309 N ILE A 23 -6.287 0.603 -4.769 1.00 0.00 N ATOM 310 CA ILE A 23 -5.203 0.817 -3.818 1.00 0.00 C ATOM 311 C ILE A 23 -4.063 -0.173 -4.058 1.00 0.00 C ATOM 312 O ILE A 23 -2.891 0.172 -3.895 1.00 0.00 O ATOM 313 CB ILE A 23 -5.686 0.736 -2.350 1.00 0.00 C ATOM 314 CG1 ILE A 23 -4.523 1.015 -1.392 1.00 0.00 C ATOM 315 CG2 ILE A 23 -6.314 -0.617 -2.048 1.00 0.00 C ATOM 316 CD1 ILE A 23 -4.923 1.030 0.067 1.00 0.00 C ATOM 0 H ILE A 23 -7.167 0.303 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.833 1.829 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.452 1.498 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.753 0.258 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.078 1.977 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.643 -0.642 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.170 -0.775 -2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.579 -1.405 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.047 1.234 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.670 1.806 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.341 0.061 0.340 1.00 0.00 H new ATOM 328 N GLU A 24 -4.409 -1.394 -4.470 1.00 0.00 N ATOM 329 CA GLU A 24 -3.409 -2.400 -4.795 1.00 0.00 C ATOM 330 C GLU A 24 -2.438 -1.861 -5.835 1.00 0.00 C ATOM 331 O GLU A 24 -1.223 -1.865 -5.629 1.00 0.00 O ATOM 332 CB GLU A 24 -4.074 -3.673 -5.316 1.00 0.00 C ATOM 333 CG GLU A 24 -3.088 -4.696 -5.849 1.00 0.00 C ATOM 334 CD GLU A 24 -3.393 -5.106 -7.274 1.00 0.00 C ATOM 335 OE1 GLU A 24 -3.442 -4.221 -8.157 1.00 0.00 O ATOM 336 OE2 GLU A 24 -3.570 -6.316 -7.522 1.00 0.00 O ATOM 0 H GLU A 24 -5.374 -1.705 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.859 -2.641 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.655 -4.125 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.775 -3.409 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.080 -4.284 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.103 -5.578 -5.209 1.00 0.00 H new ATOM 343 N SER A 25 -2.976 -1.377 -6.946 1.00 0.00 N ATOM 344 CA SER A 25 -2.133 -0.837 -7.994 1.00 0.00 C ATOM 345 C SER A 25 -1.543 0.501 -7.589 1.00 0.00 C ATOM 346 O SER A 25 -0.444 0.838 -8.000 1.00 0.00 O ATOM 347 CB SER A 25 -2.890 -0.688 -9.299 1.00 0.00 C ATOM 348 OG SER A 25 -3.415 -1.935 -9.735 1.00 0.00 O ATOM 0 H SER A 25 -3.977 -1.348 -7.140 1.00 0.00 H new ATOM 0 HA SER A 25 -1.322 -1.549 -8.145 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.703 0.027 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.226 -0.283 -10.063 1.00 0.00 H new ATOM 0 HG SER A 25 -3.291 -2.606 -9.032 1.00 0.00 H new ATOM 354 N SER A 26 -2.259 1.263 -6.772 1.00 0.00 N ATOM 355 CA SER A 26 -1.739 2.538 -6.297 1.00 0.00 C ATOM 356 C SER A 26 -0.400 2.326 -5.596 1.00 0.00 C ATOM 357 O SER A 26 0.467 3.193 -5.621 1.00 0.00 O ATOM 358 CB SER A 26 -2.738 3.218 -5.356 1.00 0.00 C ATOM 359 OG SER A 26 -3.968 3.474 -6.015 1.00 0.00 O ATOM 0 H SER A 26 -3.189 1.025 -6.428 1.00 0.00 H new ATOM 0 HA SER A 26 -1.588 3.193 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.913 2.584 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.317 4.154 -4.989 1.00 0.00 H new ATOM 0 HG SER A 26 -4.297 2.648 -6.426 1.00 0.00 H new ATOM 365 N VAL A 27 -0.243 1.165 -4.972 1.00 0.00 N ATOM 366 CA VAL A 27 1.042 0.770 -4.418 1.00 0.00 C ATOM 367 C VAL A 27 1.929 0.158 -5.507 1.00 0.00 C ATOM 368 O VAL A 27 3.053 0.599 -5.726 1.00 0.00 O ATOM 369 CB VAL A 27 0.882 -0.254 -3.274 1.00 0.00 C ATOM 370 CG1 VAL A 27 2.222 -0.524 -2.613 1.00 0.00 C ATOM 371 CG2 VAL A 27 -0.132 0.227 -2.248 1.00 0.00 C ATOM 0 H VAL A 27 -0.989 0.483 -4.838 1.00 0.00 H new ATOM 0 HA VAL A 27 1.507 1.671 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 27 0.511 -1.185 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.092 -1.248 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.918 -0.923 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.620 0.405 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.225 -0.513 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.201 1.174 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.100 0.365 -2.730 1.00 0.00 H new ATOM 381 N LYS A 28 1.392 -0.844 -6.201 1.00 0.00 N ATOM 382 CA LYS A 28 2.152 -1.623 -7.184 1.00 0.00 C ATOM 383 C LYS A 28 2.739 -0.762 -8.308 1.00 0.00 C ATOM 384 O LYS A 28 3.874 -0.986 -8.738 1.00 0.00 O ATOM 385 CB LYS A 28 1.258 -2.719 -7.777 1.00 0.00 C ATOM 386 CG LYS A 28 1.860 -3.425 -8.985 1.00 0.00 C ATOM 387 CD LYS A 28 0.966 -4.553 -9.473 1.00 0.00 C ATOM 388 CE LYS A 28 1.080 -5.784 -8.588 1.00 0.00 C ATOM 389 NZ LYS A 28 2.437 -6.388 -8.658 1.00 0.00 N ATOM 0 H LYS A 28 0.421 -1.140 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 28 2.996 -2.067 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.047 -3.459 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.304 -2.278 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.012 -2.706 -9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.840 -3.823 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.070 -4.214 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.236 -4.814 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.855 -5.513 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.337 -6.521 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.394 -7.376 -8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.780 -6.359 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.087 -5.853 -8.048 1.00 0.00 H new ATOM 403 N GLU A 29 1.970 0.216 -8.779 1.00 0.00 N ATOM 404 CA GLU A 29 2.388 1.063 -9.896 1.00 0.00 C ATOM 405 C GLU A 29 3.564 1.943 -9.514 1.00 0.00 C ATOM 406 O GLU A 29 4.250 2.491 -10.381 1.00 0.00 O ATOM 407 CB GLU A 29 1.235 1.946 -10.374 1.00 0.00 C ATOM 408 CG GLU A 29 0.074 1.163 -10.968 1.00 0.00 C ATOM 409 CD GLU A 29 -0.967 2.048 -11.615 1.00 0.00 C ATOM 410 OE1 GLU A 29 -1.914 2.472 -10.921 1.00 0.00 O ATOM 411 OE2 GLU A 29 -0.843 2.318 -12.828 1.00 0.00 O ATOM 0 H GLU A 29 1.049 0.443 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 29 2.693 0.398 -10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.871 2.539 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.610 2.646 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.458 0.462 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.397 0.572 -10.183 1.00 0.00 H new ATOM 418 N LEU A 30 3.787 2.087 -8.222 1.00 0.00 N ATOM 419 CA LEU A 30 4.902 2.893 -7.737 1.00 0.00 C ATOM 420 C LEU A 30 6.223 2.154 -7.928 1.00 0.00 C ATOM 421 O LEU A 30 6.243 0.947 -8.176 1.00 0.00 O ATOM 422 CB LEU A 30 4.727 3.260 -6.260 1.00 0.00 C ATOM 423 CG LEU A 30 3.416 3.958 -5.903 1.00 0.00 C ATOM 424 CD1 LEU A 30 3.457 4.456 -4.470 1.00 0.00 C ATOM 425 CD2 LEU A 30 3.128 5.105 -6.863 1.00 0.00 C ATOM 0 H LEU A 30 3.218 1.662 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 30 4.917 3.813 -8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.806 2.349 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.554 3.906 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 30 2.607 3.233 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.516 4.951 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.606 3.613 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.279 5.163 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.189 5.584 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.937 5.834 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.052 4.718 -7.879 1.00 0.00 H new ATOM 437 N ASN A 31 7.323 2.882 -7.817 1.00 0.00 N ATOM 438 CA ASN A 31 8.646 2.292 -7.971 1.00 0.00 C ATOM 439 C ASN A 31 9.223 1.932 -6.612 1.00 0.00 C ATOM 440 O ASN A 31 9.100 2.694 -5.655 1.00 0.00 O ATOM 441 CB ASN A 31 9.582 3.255 -8.702 1.00 0.00 C ATOM 442 CG ASN A 31 10.957 2.659 -8.952 1.00 0.00 C ATOM 443 OD1 ASN A 31 11.882 2.838 -8.163 1.00 0.00 O ATOM 444 ND2 ASN A 31 11.099 1.937 -10.054 1.00 0.00 N ATOM 0 H ASN A 31 7.327 3.883 -7.621 1.00 0.00 H new ATOM 0 HA ASN A 31 8.551 1.383 -8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.134 3.538 -9.655 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.687 4.168 -8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.999 1.508 -10.270 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.308 1.810 -10.686 1.00 0.00 H new ATOM 451 N GLY A 32 9.848 0.767 -6.531 1.00 0.00 N ATOM 452 CA GLY A 32 10.391 0.304 -5.270 1.00 0.00 C ATOM 453 C GLY A 32 9.425 -0.610 -4.553 1.00 0.00 C ATOM 454 O GLY A 32 9.631 -0.972 -3.396 1.00 0.00 O ATOM 0 H GLY A 32 9.989 0.133 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.328 -0.223 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.622 1.160 -4.636 1.00 0.00 H new ATOM 458 N VAL A 33 8.362 -0.980 -5.248 1.00 0.00 N ATOM 459 CA VAL A 33 7.359 -1.858 -4.702 1.00 0.00 C ATOM 460 C VAL A 33 7.489 -3.235 -5.324 1.00 0.00 C ATOM 461 O VAL A 33 7.531 -3.383 -6.549 1.00 0.00 O ATOM 462 CB VAL A 33 5.939 -1.308 -4.929 1.00 0.00 C ATOM 463 CG1 VAL A 33 4.890 -2.314 -4.482 1.00 0.00 C ATOM 464 CG2 VAL A 33 5.768 0.007 -4.189 1.00 0.00 C ATOM 0 H VAL A 33 8.177 -0.677 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 33 7.520 -1.926 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 33 5.801 -1.132 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.895 -1.902 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.004 -3.236 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.018 -2.526 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.761 0.389 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.925 -0.153 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.496 0.730 -4.558 1.00 0.00 H new ATOM 474 N GLU A 34 7.568 -4.227 -4.469 1.00 0.00 N ATOM 475 CA GLU A 34 7.744 -5.597 -4.894 1.00 0.00 C ATOM 476 C GLU A 34 6.395 -6.303 -4.954 1.00 0.00 C ATOM 477 O GLU A 34 5.982 -6.782 -6.006 1.00 0.00 O ATOM 478 CB GLU A 34 8.696 -6.298 -3.927 1.00 0.00 C ATOM 479 CG GLU A 34 8.771 -7.809 -4.092 1.00 0.00 C ATOM 480 CD GLU A 34 9.379 -8.224 -5.415 1.00 0.00 C ATOM 481 OE1 GLU A 34 10.625 -8.263 -5.516 1.00 0.00 O ATOM 482 OE2 GLU A 34 8.618 -8.514 -6.358 1.00 0.00 O ATOM 0 H GLU A 34 7.512 -4.108 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 34 8.176 -5.626 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.695 -5.882 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.387 -6.072 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.361 -8.230 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.769 -8.229 -4.010 1.00 0.00 H new ATOM 489 N GLN A 35 5.696 -6.337 -3.827 1.00 0.00 N ATOM 490 CA GLN A 35 4.403 -7.003 -3.753 1.00 0.00 C ATOM 491 C GLN A 35 3.425 -6.175 -2.935 1.00 0.00 C ATOM 492 O GLN A 35 3.833 -5.380 -2.089 1.00 0.00 O ATOM 493 CB GLN A 35 4.545 -8.393 -3.131 1.00 0.00 C ATOM 494 CG GLN A 35 5.421 -9.334 -3.939 1.00 0.00 C ATOM 495 CD GLN A 35 5.546 -10.703 -3.308 1.00 0.00 C ATOM 496 OE1 GLN A 35 5.493 -10.843 -2.085 1.00 0.00 O ATOM 497 NE2 GLN A 35 5.733 -11.719 -4.136 1.00 0.00 N ATOM 0 H GLN A 35 6.003 -5.911 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 35 4.020 -7.109 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.962 -8.293 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.555 -8.836 -3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.007 -9.437 -4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.413 -8.897 -4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.770 -11.557 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.840 -12.664 -3.768 1.00 0.00 H new ATOM 506 N VAL A 36 2.142 -6.361 -3.198 1.00 0.00 N ATOM 507 CA VAL A 36 1.095 -5.656 -2.476 1.00 0.00 C ATOM 508 C VAL A 36 -0.155 -6.531 -2.341 1.00 0.00 C ATOM 509 O VAL A 36 -0.865 -6.790 -3.316 1.00 0.00 O ATOM 510 CB VAL A 36 0.753 -4.309 -3.164 1.00 0.00 C ATOM 511 CG1 VAL A 36 0.497 -4.497 -4.653 1.00 0.00 C ATOM 512 CG2 VAL A 36 -0.442 -3.645 -2.497 1.00 0.00 C ATOM 0 H VAL A 36 1.798 -7.001 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 36 1.467 -5.436 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 36 1.617 -3.654 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.260 -3.534 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.388 -4.911 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.340 -5.181 -4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.661 -2.702 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.309 -4.302 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.214 -3.454 -1.448 1.00 0.00 H new ATOM 522 N LYS A 37 -0.397 -7.019 -1.130 1.00 0.00 N ATOM 523 CA LYS A 37 -1.555 -7.861 -0.866 1.00 0.00 C ATOM 524 C LYS A 37 -2.589 -7.101 -0.044 1.00 0.00 C ATOM 525 O LYS A 37 -2.502 -7.039 1.182 1.00 0.00 O ATOM 526 CB LYS A 37 -1.143 -9.139 -0.129 1.00 0.00 C ATOM 527 CG LYS A 37 -0.033 -9.919 -0.817 1.00 0.00 C ATOM 528 CD LYS A 37 0.244 -11.238 -0.112 1.00 0.00 C ATOM 529 CE LYS A 37 0.587 -11.038 1.358 1.00 0.00 C ATOM 530 NZ LYS A 37 0.871 -12.328 2.037 1.00 0.00 N ATOM 0 H LYS A 37 0.193 -6.846 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.995 -8.138 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.819 -8.877 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.016 -9.784 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.311 -10.111 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.876 -9.318 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.630 -11.884 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.068 -11.749 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.454 -10.383 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.241 -10.537 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.100 -12.151 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.035 -12.943 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.677 -12.794 1.574 1.00 0.00 H new ATOM 544 N VAL A 38 -3.552 -6.507 -0.727 1.00 0.00 N ATOM 545 CA VAL A 38 -4.604 -5.749 -0.065 1.00 0.00 C ATOM 546 C VAL A 38 -5.750 -6.668 0.353 1.00 0.00 C ATOM 547 O VAL A 38 -6.270 -7.441 -0.454 1.00 0.00 O ATOM 548 CB VAL A 38 -5.128 -4.599 -0.964 1.00 0.00 C ATOM 549 CG1 VAL A 38 -5.385 -5.084 -2.381 1.00 0.00 C ATOM 550 CG2 VAL A 38 -6.386 -3.974 -0.375 1.00 0.00 C ATOM 0 H VAL A 38 -3.629 -6.534 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.174 -5.301 0.830 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.354 -3.833 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.752 -4.256 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.458 -5.465 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.130 -5.879 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.732 -3.171 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.164 -4.733 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.164 -3.571 0.613 1.00 0.00 H new ATOM 560 N GLN A 39 -6.117 -6.601 1.625 1.00 0.00 N ATOM 561 CA GLN A 39 -7.156 -7.462 2.174 1.00 0.00 C ATOM 562 C GLN A 39 -8.350 -6.631 2.628 1.00 0.00 C ATOM 563 O GLN A 39 -8.246 -5.845 3.572 1.00 0.00 O ATOM 564 CB GLN A 39 -6.600 -8.269 3.349 1.00 0.00 C ATOM 565 CG GLN A 39 -5.417 -9.149 2.975 1.00 0.00 C ATOM 566 CD GLN A 39 -5.795 -10.275 2.032 1.00 0.00 C ATOM 567 OE1 GLN A 39 -6.137 -11.373 2.468 1.00 0.00 O ATOM 568 NE2 GLN A 39 -5.747 -10.008 0.737 1.00 0.00 N ATOM 0 H GLN A 39 -5.708 -5.955 2.300 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.487 -8.150 1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.297 -7.583 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.393 -8.895 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.646 -8.535 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.983 -9.571 3.882 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.458 -9.084 0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.999 -10.727 0.058 1.00 0.00 H new ATOM 577 N LEU A 40 -9.482 -6.814 1.959 1.00 0.00 N ATOM 578 CA LEU A 40 -10.684 -6.036 2.245 1.00 0.00 C ATOM 579 C LEU A 40 -11.203 -6.357 3.649 1.00 0.00 C ATOM 580 O LEU A 40 -11.510 -5.459 4.435 1.00 0.00 O ATOM 581 CB LEU A 40 -11.772 -6.345 1.207 1.00 0.00 C ATOM 582 CG LEU A 40 -12.646 -5.158 0.779 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.723 -5.610 -0.195 1.00 0.00 C ATOM 584 CD2 LEU A 40 -13.270 -4.466 1.980 1.00 0.00 C ATOM 0 H LEU A 40 -9.594 -7.498 1.211 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.432 -4.977 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.293 -6.758 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.421 -7.123 1.610 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.002 -4.436 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.332 -4.754 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.255 -6.041 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.355 -6.359 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.882 -3.630 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.893 -5.175 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.482 -4.096 2.636 1.00 0.00 H new ATOM 596 N ALA A 41 -11.280 -7.645 3.958 1.00 0.00 N ATOM 597 CA ALA A 41 -11.810 -8.105 5.238 1.00 0.00 C ATOM 598 C ALA A 41 -10.954 -7.631 6.409 1.00 0.00 C ATOM 599 O ALA A 41 -11.465 -7.375 7.497 1.00 0.00 O ATOM 600 CB ALA A 41 -11.918 -9.623 5.243 1.00 0.00 C ATOM 0 H ALA A 41 -10.980 -8.395 3.336 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.803 -7.672 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.314 -9.956 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.586 -9.943 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.931 -10.058 5.087 1.00 0.00 H new ATOM 606 N GLU A 42 -9.652 -7.507 6.182 1.00 0.00 N ATOM 607 CA GLU A 42 -8.736 -7.094 7.236 1.00 0.00 C ATOM 608 C GLU A 42 -8.779 -5.587 7.444 1.00 0.00 C ATOM 609 O GLU A 42 -8.606 -5.104 8.562 1.00 0.00 O ATOM 610 CB GLU A 42 -7.304 -7.521 6.909 1.00 0.00 C ATOM 611 CG GLU A 42 -7.133 -9.022 6.767 1.00 0.00 C ATOM 612 CD GLU A 42 -7.509 -9.765 8.031 1.00 0.00 C ATOM 613 OE1 GLU A 42 -6.741 -9.700 9.013 1.00 0.00 O ATOM 614 OE2 GLU A 42 -8.579 -10.409 8.051 1.00 0.00 O ATOM 0 H GLU A 42 -9.209 -7.686 5.281 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.056 -7.585 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.993 -7.039 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.639 -7.161 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.749 -9.379 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.097 -9.245 6.512 1.00 0.00 H new ATOM 621 N GLY A 43 -9.026 -4.848 6.369 1.00 0.00 N ATOM 622 CA GLY A 43 -8.935 -3.404 6.442 1.00 0.00 C ATOM 623 C GLY A 43 -7.502 -2.949 6.356 1.00 0.00 C ATOM 624 O GLY A 43 -7.166 -1.843 6.778 1.00 0.00 O ATOM 0 H GLY A 43 -9.286 -5.220 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.511 -2.958 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.376 -3.055 7.376 1.00 0.00 H new ATOM 628 N THR A 44 -6.655 -3.808 5.806 1.00 0.00 N ATOM 629 CA THR A 44 -5.234 -3.538 5.733 1.00 0.00 C ATOM 630 C THR A 44 -4.641 -4.032 4.415 1.00 0.00 C ATOM 631 O THR A 44 -5.281 -4.776 3.666 1.00 0.00 O ATOM 632 CB THR A 44 -4.479 -4.205 6.905 1.00 0.00 C ATOM 633 OG1 THR A 44 -4.789 -5.605 6.954 1.00 0.00 O ATOM 634 CG2 THR A 44 -4.839 -3.564 8.235 1.00 0.00 C ATOM 0 H THR A 44 -6.934 -4.702 5.403 1.00 0.00 H new ATOM 0 HA THR A 44 -5.114 -2.456 5.795 1.00 0.00 H new ATOM 0 HB THR A 44 -3.412 -4.066 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.306 -6.021 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.290 -4.057 9.037 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.576 -2.507 8.212 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.910 -3.668 8.411 1.00 0.00 H new ATOM 642 N VAL A 45 -3.424 -3.591 4.132 1.00 0.00 N ATOM 643 CA VAL A 45 -2.688 -4.038 2.960 1.00 0.00 C ATOM 644 C VAL A 45 -1.292 -4.489 3.365 1.00 0.00 C ATOM 645 O VAL A 45 -0.510 -3.698 3.896 1.00 0.00 O ATOM 646 CB VAL A 45 -2.550 -2.923 1.899 1.00 0.00 C ATOM 647 CG1 VAL A 45 -1.880 -3.455 0.646 1.00 0.00 C ATOM 648 CG2 VAL A 45 -3.899 -2.315 1.560 1.00 0.00 C ATOM 0 H VAL A 45 -2.921 -2.915 4.707 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.252 -4.863 2.526 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.923 -2.138 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.793 -2.654 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.887 -3.829 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.478 -4.265 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.768 -1.534 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.558 -3.089 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.341 -1.885 2.459 1.00 0.00 H new ATOM 658 N GLU A 46 -0.988 -5.754 3.127 1.00 0.00 N ATOM 659 CA GLU A 46 0.338 -6.278 3.404 1.00 0.00 C ATOM 660 C GLU A 46 1.246 -6.003 2.212 1.00 0.00 C ATOM 661 O GLU A 46 1.135 -6.648 1.167 1.00 0.00 O ATOM 662 CB GLU A 46 0.278 -7.776 3.698 1.00 0.00 C ATOM 663 CG GLU A 46 -0.711 -8.138 4.794 1.00 0.00 C ATOM 664 CD GLU A 46 -0.562 -9.570 5.258 1.00 0.00 C ATOM 665 OE1 GLU A 46 -0.858 -10.494 4.473 1.00 0.00 O ATOM 666 OE2 GLU A 46 -0.141 -9.780 6.414 1.00 0.00 O ATOM 0 H GLU A 46 -1.641 -6.436 2.743 1.00 0.00 H new ATOM 0 HA GLU A 46 0.741 -5.781 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.008 -8.307 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.271 -8.122 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.570 -7.468 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.726 -7.981 4.429 1.00 0.00 H new ATOM 673 N VAL A 47 2.127 -5.031 2.368 1.00 0.00 N ATOM 674 CA VAL A 47 2.948 -4.564 1.266 1.00 0.00 C ATOM 675 C VAL A 47 4.405 -4.966 1.451 1.00 0.00 C ATOM 676 O VAL A 47 4.942 -4.921 2.562 1.00 0.00 O ATOM 677 CB VAL A 47 2.876 -3.030 1.120 1.00 0.00 C ATOM 678 CG1 VAL A 47 3.542 -2.584 -0.167 1.00 0.00 C ATOM 679 CG2 VAL A 47 1.438 -2.541 1.174 1.00 0.00 C ATOM 0 H VAL A 47 2.292 -4.548 3.251 1.00 0.00 H new ATOM 0 HA VAL A 47 2.553 -5.033 0.365 1.00 0.00 H new ATOM 0 HB VAL A 47 3.413 -2.588 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.481 -1.499 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.588 -2.889 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.036 -3.043 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.418 -1.456 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.869 -2.995 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.994 -2.821 2.129 1.00 0.00 H new ATOM 689 N THR A 48 5.031 -5.364 0.358 1.00 0.00 N ATOM 690 CA THR A 48 6.451 -5.641 0.340 1.00 0.00 C ATOM 691 C THR A 48 7.160 -4.560 -0.470 1.00 0.00 C ATOM 692 O THR A 48 7.092 -4.555 -1.702 1.00 0.00 O ATOM 693 CB THR A 48 6.749 -7.017 -0.286 1.00 0.00 C ATOM 694 OG1 THR A 48 5.757 -7.970 0.132 1.00 0.00 O ATOM 695 CG2 THR A 48 8.128 -7.503 0.132 1.00 0.00 C ATOM 0 H THR A 48 4.567 -5.503 -0.540 1.00 0.00 H new ATOM 0 HA THR A 48 6.811 -5.649 1.369 1.00 0.00 H new ATOM 0 HB THR A 48 6.723 -6.917 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.752 -8.029 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.323 -8.476 -0.319 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.882 -6.791 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.169 -7.591 1.218 1.00 0.00 H new ATOM 703 N ILE A 49 7.810 -3.630 0.212 1.00 0.00 N ATOM 704 CA ILE A 49 8.476 -2.524 -0.464 1.00 0.00 C ATOM 705 C ILE A 49 9.973 -2.593 -0.261 1.00 0.00 C ATOM 706 O ILE A 49 10.464 -3.374 0.552 1.00 0.00 O ATOM 707 CB ILE A 49 7.998 -1.146 0.045 1.00 0.00 C ATOM 708 CG1 ILE A 49 8.261 -1.008 1.551 1.00 0.00 C ATOM 709 CG2 ILE A 49 6.526 -0.939 -0.268 1.00 0.00 C ATOM 710 CD1 ILE A 49 8.079 0.401 2.070 1.00 0.00 C ATOM 0 H ILE A 49 7.891 -3.617 1.229 1.00 0.00 H new ATOM 0 HA ILE A 49 8.222 -2.623 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 49 8.565 -0.372 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.589 -1.675 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.278 -1.337 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.210 0.037 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.373 -0.989 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.938 -1.717 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.281 0.423 3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.769 1.070 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.055 0.727 1.887 1.00 0.00 H new ATOM 722 N ASP A 50 10.688 -1.785 -1.010 1.00 0.00 N ATOM 723 CA ASP A 50 12.106 -1.606 -0.794 1.00 0.00 C ATOM 724 C ASP A 50 12.328 -0.219 -0.211 1.00 0.00 C ATOM 725 O ASP A 50 12.207 0.782 -0.919 1.00 0.00 O ATOM 726 CB ASP A 50 12.875 -1.753 -2.104 1.00 0.00 C ATOM 727 CG ASP A 50 14.352 -1.996 -1.886 1.00 0.00 C ATOM 728 OD1 ASP A 50 15.041 -1.101 -1.351 1.00 0.00 O ATOM 729 OD2 ASP A 50 14.830 -3.094 -2.249 1.00 0.00 O ATOM 0 H ASP A 50 10.307 -1.237 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 50 12.471 -2.368 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.455 -2.580 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.743 -0.851 -2.702 1.00 0.00 H new ATOM 734 N SER A 51 12.638 -0.158 1.073 1.00 0.00 N ATOM 735 CA SER A 51 12.676 1.112 1.787 1.00 0.00 C ATOM 736 C SER A 51 13.936 1.913 1.461 1.00 0.00 C ATOM 737 O SER A 51 14.095 3.048 1.909 1.00 0.00 O ATOM 738 CB SER A 51 12.553 0.867 3.290 1.00 0.00 C ATOM 739 OG SER A 51 13.538 -0.044 3.746 1.00 0.00 O ATOM 0 H SER A 51 12.867 -0.971 1.644 1.00 0.00 H new ATOM 0 HA SER A 51 11.828 1.712 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.654 1.812 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.561 0.477 3.517 1.00 0.00 H new ATOM 0 HG SER A 51 13.253 -0.435 4.598 1.00 0.00 H new ATOM 745 N SER A 52 14.825 1.325 0.671 1.00 0.00 N ATOM 746 CA SER A 52 15.990 2.044 0.178 1.00 0.00 C ATOM 747 C SER A 52 15.667 2.705 -1.154 1.00 0.00 C ATOM 748 O SER A 52 16.526 3.320 -1.790 1.00 0.00 O ATOM 749 CB SER A 52 17.179 1.096 0.028 1.00 0.00 C ATOM 750 OG SER A 52 17.538 0.524 1.275 1.00 0.00 O ATOM 0 H SER A 52 14.761 0.356 0.359 1.00 0.00 H new ATOM 0 HA SER A 52 16.257 2.817 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.930 0.305 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.030 1.638 -0.385 1.00 0.00 H new ATOM 0 HG SER A 52 18.300 -0.080 1.151 1.00 0.00 H new ATOM 756 N VAL A 53 14.419 2.563 -1.574 1.00 0.00 N ATOM 757 CA VAL A 53 13.949 3.160 -2.810 1.00 0.00 C ATOM 758 C VAL A 53 12.721 4.022 -2.553 1.00 0.00 C ATOM 759 O VAL A 53 12.763 5.241 -2.711 1.00 0.00 O ATOM 760 CB VAL A 53 13.599 2.084 -3.853 1.00 0.00 C ATOM 761 CG1 VAL A 53 13.097 2.728 -5.135 1.00 0.00 C ATOM 762 CG2 VAL A 53 14.802 1.195 -4.122 1.00 0.00 C ATOM 0 H VAL A 53 13.709 2.033 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 53 14.757 3.779 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 53 12.799 1.459 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.854 1.952 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.205 3.317 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.871 3.378 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.538 0.439 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 53 15.625 1.801 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.107 0.706 -3.197 1.00 0.00 H new ATOM 772 N VAL A 54 11.632 3.383 -2.155 1.00 0.00 N ATOM 773 CA VAL A 54 10.392 4.092 -1.889 1.00 0.00 C ATOM 774 C VAL A 54 10.117 4.100 -0.385 1.00 0.00 C ATOM 775 O VAL A 54 10.392 3.119 0.305 1.00 0.00 O ATOM 776 CB VAL A 54 9.204 3.457 -2.658 1.00 0.00 C ATOM 777 CG1 VAL A 54 8.871 2.067 -2.134 1.00 0.00 C ATOM 778 CG2 VAL A 54 7.978 4.353 -2.611 1.00 0.00 C ATOM 0 H VAL A 54 11.583 2.375 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 54 10.498 5.119 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 54 9.514 3.354 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.034 1.656 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.739 1.418 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.602 2.131 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.162 3.882 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.679 4.506 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.213 5.315 -3.067 1.00 0.00 H new ATOM 788 N THR A 55 9.612 5.207 0.130 1.00 0.00 N ATOM 789 CA THR A 55 9.340 5.306 1.554 1.00 0.00 C ATOM 790 C THR A 55 7.860 5.085 1.832 1.00 0.00 C ATOM 791 O THR A 55 7.028 5.201 0.928 1.00 0.00 O ATOM 792 CB THR A 55 9.765 6.676 2.121 1.00 0.00 C ATOM 793 OG1 THR A 55 8.953 7.720 1.567 1.00 0.00 O ATOM 794 CG2 THR A 55 11.228 6.954 1.814 1.00 0.00 C ATOM 0 H THR A 55 9.384 6.042 -0.409 1.00 0.00 H new ATOM 0 HA THR A 55 9.926 4.531 2.048 1.00 0.00 H new ATOM 0 HB THR A 55 9.629 6.650 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.309 7.982 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.507 7.925 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.848 6.179 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.379 6.958 0.735 1.00 0.00 H new ATOM 802 N LEU A 56 7.538 4.766 3.080 1.00 0.00 N ATOM 803 CA LEU A 56 6.152 4.600 3.494 1.00 0.00 C ATOM 804 C LEU A 56 5.370 5.886 3.259 1.00 0.00 C ATOM 805 O LEU A 56 4.180 5.853 2.945 1.00 0.00 O ATOM 806 CB LEU A 56 6.073 4.204 4.971 1.00 0.00 C ATOM 807 CG LEU A 56 4.656 4.010 5.517 1.00 0.00 C ATOM 808 CD1 LEU A 56 3.952 2.874 4.790 1.00 0.00 C ATOM 809 CD2 LEU A 56 4.688 3.747 7.017 1.00 0.00 C ATOM 0 H LEU A 56 8.220 4.617 3.823 1.00 0.00 H new ATOM 0 HA LEU A 56 5.711 3.803 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.630 3.278 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.572 4.971 5.564 1.00 0.00 H new ATOM 0 HG LEU A 56 4.095 4.928 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.946 2.752 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.891 3.105 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.513 1.950 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.671 3.612 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.268 2.846 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.148 4.594 7.525 1.00 0.00 H new ATOM 821 N LYS A 57 6.055 7.015 3.398 1.00 0.00 N ATOM 822 CA LYS A 57 5.434 8.311 3.184 1.00 0.00 C ATOM 823 C LYS A 57 5.003 8.443 1.725 1.00 0.00 C ATOM 824 O LYS A 57 3.901 8.902 1.442 1.00 0.00 O ATOM 825 CB LYS A 57 6.402 9.434 3.563 1.00 0.00 C ATOM 826 CG LYS A 57 5.711 10.731 3.959 1.00 0.00 C ATOM 827 CD LYS A 57 5.068 11.430 2.772 1.00 0.00 C ATOM 828 CE LYS A 57 4.452 12.758 3.176 1.00 0.00 C ATOM 829 NZ LYS A 57 5.472 13.710 3.697 1.00 0.00 N ATOM 0 H LYS A 57 7.040 7.056 3.658 1.00 0.00 H new ATOM 0 HA LYS A 57 4.552 8.392 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.027 9.099 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.066 9.629 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.949 10.519 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.437 11.400 4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.816 11.595 1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.300 10.787 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.948 13.201 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.692 12.588 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.077 14.672 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.740 13.437 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.313 13.687 3.085 1.00 0.00 H new ATOM 843 N ASP A 58 5.872 8.022 0.804 1.00 0.00 N ATOM 844 CA ASP A 58 5.560 8.074 -0.628 1.00 0.00 C ATOM 845 C ASP A 58 4.340 7.216 -0.928 1.00 0.00 C ATOM 846 O ASP A 58 3.435 7.632 -1.658 1.00 0.00 O ATOM 847 CB ASP A 58 6.741 7.594 -1.482 1.00 0.00 C ATOM 848 CG ASP A 58 7.981 8.449 -1.323 1.00 0.00 C ATOM 849 OD1 ASP A 58 7.897 9.678 -1.530 1.00 0.00 O ATOM 850 OD2 ASP A 58 9.049 7.894 -0.984 1.00 0.00 O ATOM 0 H ASP A 58 6.794 7.643 1.021 1.00 0.00 H new ATOM 0 HA ASP A 58 5.354 9.114 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.980 6.565 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.444 7.589 -2.531 1.00 0.00 H new ATOM 855 N ILE A 59 4.328 6.019 -0.354 1.00 0.00 N ATOM 856 CA ILE A 59 3.197 5.110 -0.490 1.00 0.00 C ATOM 857 C ILE A 59 1.925 5.777 0.021 1.00 0.00 C ATOM 858 O ILE A 59 0.945 5.908 -0.708 1.00 0.00 O ATOM 859 CB ILE A 59 3.431 3.798 0.292 1.00 0.00 C ATOM 860 CG1 ILE A 59 4.726 3.118 -0.161 1.00 0.00 C ATOM 861 CG2 ILE A 59 2.248 2.855 0.119 1.00 0.00 C ATOM 862 CD1 ILE A 59 4.708 2.673 -1.609 1.00 0.00 C ATOM 0 H ILE A 59 5.093 5.654 0.213 1.00 0.00 H new ATOM 0 HA ILE A 59 3.092 4.870 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 59 3.526 4.045 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.558 3.806 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.912 2.251 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.430 1.936 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.343 3.334 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.122 2.619 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.659 2.201 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.898 1.960 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.554 3.538 -2.254 1.00 0.00 H new ATOM 874 N VAL A 60 1.963 6.219 1.270 1.00 0.00 N ATOM 875 CA VAL A 60 0.830 6.894 1.891 1.00 0.00 C ATOM 876 C VAL A 60 0.386 8.112 1.077 1.00 0.00 C ATOM 877 O VAL A 60 -0.809 8.326 0.879 1.00 0.00 O ATOM 878 CB VAL A 60 1.175 7.304 3.343 1.00 0.00 C ATOM 879 CG1 VAL A 60 0.293 8.438 3.831 1.00 0.00 C ATOM 880 CG2 VAL A 60 1.030 6.109 4.267 1.00 0.00 C ATOM 0 H VAL A 60 2.775 6.121 1.879 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.004 6.192 1.914 1.00 0.00 H new ATOM 0 HB VAL A 60 2.207 7.654 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.566 8.697 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.429 9.307 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.751 8.125 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.275 6.406 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.004 5.744 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.708 5.317 3.947 1.00 0.00 H new ATOM 890 N ALA A 61 1.349 8.885 0.584 1.00 0.00 N ATOM 891 CA ALA A 61 1.057 10.068 -0.220 1.00 0.00 C ATOM 892 C ALA A 61 0.187 9.719 -1.423 1.00 0.00 C ATOM 893 O ALA A 61 -0.765 10.432 -1.738 1.00 0.00 O ATOM 894 CB ALA A 61 2.345 10.731 -0.680 1.00 0.00 C ATOM 0 H ALA A 61 2.344 8.712 0.728 1.00 0.00 H new ATOM 0 HA ALA A 61 0.504 10.767 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.108 11.611 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.931 11.030 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.921 10.028 -1.282 1.00 0.00 H new ATOM 900 N VAL A 62 0.517 8.616 -2.088 1.00 0.00 N ATOM 901 CA VAL A 62 -0.250 8.168 -3.246 1.00 0.00 C ATOM 902 C VAL A 62 -1.553 7.491 -2.819 1.00 0.00 C ATOM 903 O VAL A 62 -2.631 7.834 -3.307 1.00 0.00 O ATOM 904 CB VAL A 62 0.571 7.188 -4.117 1.00 0.00 C ATOM 905 CG1 VAL A 62 -0.249 6.695 -5.302 1.00 0.00 C ATOM 906 CG2 VAL A 62 1.858 7.846 -4.592 1.00 0.00 C ATOM 0 H VAL A 62 1.307 8.018 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.485 9.055 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 62 0.831 6.325 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.351 6.008 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.139 6.180 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.547 7.544 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.423 7.142 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.618 8.729 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.457 8.139 -3.730 1.00 0.00 H new ATOM 916 N ILE A 63 -1.445 6.541 -1.901 1.00 0.00 N ATOM 917 CA ILE A 63 -2.583 5.743 -1.468 1.00 0.00 C ATOM 918 C ILE A 63 -3.684 6.606 -0.842 1.00 0.00 C ATOM 919 O ILE A 63 -4.859 6.456 -1.181 1.00 0.00 O ATOM 920 CB ILE A 63 -2.129 4.641 -0.477 1.00 0.00 C ATOM 921 CG1 ILE A 63 -1.545 3.432 -1.219 1.00 0.00 C ATOM 922 CG2 ILE A 63 -3.280 4.190 0.407 1.00 0.00 C ATOM 923 CD1 ILE A 63 -0.485 3.755 -2.250 1.00 0.00 C ATOM 0 H ILE A 63 -0.569 6.302 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.004 5.270 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.352 5.075 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.118 2.748 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.359 2.902 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.932 3.417 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.654 5.039 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.081 3.790 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.138 2.833 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.906 4.411 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.354 4.254 -1.765 1.00 0.00 H new ATOM 935 N GLU A 64 -3.311 7.524 0.048 1.00 0.00 N ATOM 936 CA GLU A 64 -4.300 8.375 0.701 1.00 0.00 C ATOM 937 C GLU A 64 -4.895 9.360 -0.298 1.00 0.00 C ATOM 938 O GLU A 64 -6.050 9.764 -0.171 1.00 0.00 O ATOM 939 CB GLU A 64 -3.709 9.139 1.888 1.00 0.00 C ATOM 940 CG GLU A 64 -3.206 8.252 3.018 1.00 0.00 C ATOM 941 CD GLU A 64 -3.284 8.953 4.358 1.00 0.00 C ATOM 942 OE1 GLU A 64 -2.360 9.724 4.693 1.00 0.00 O ATOM 943 OE2 GLU A 64 -4.288 8.762 5.074 1.00 0.00 O ATOM 0 H GLU A 64 -2.346 7.695 0.329 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.084 7.721 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.884 9.757 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.467 9.815 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.796 7.336 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.175 7.960 2.820 1.00 0.00 H new ATOM 950 N ASP A 65 -4.106 9.719 -1.307 1.00 0.00 N ATOM 951 CA ASP A 65 -4.564 10.615 -2.366 1.00 0.00 C ATOM 952 C ASP A 65 -5.736 9.996 -3.117 1.00 0.00 C ATOM 953 O ASP A 65 -6.598 10.697 -3.643 1.00 0.00 O ATOM 954 CB ASP A 65 -3.421 10.906 -3.342 1.00 0.00 C ATOM 955 CG ASP A 65 -3.820 11.835 -4.471 1.00 0.00 C ATOM 956 OD1 ASP A 65 -3.684 13.066 -4.310 1.00 0.00 O ATOM 957 OD2 ASP A 65 -4.255 11.338 -5.531 1.00 0.00 O ATOM 0 H ASP A 65 -3.142 9.402 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.891 11.549 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.588 11.347 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.063 9.966 -3.763 1.00 0.00 H new ATOM 962 N GLN A 66 -5.773 8.668 -3.136 1.00 0.00 N ATOM 963 CA GLN A 66 -6.825 7.934 -3.826 1.00 0.00 C ATOM 964 C GLN A 66 -8.125 7.951 -3.025 1.00 0.00 C ATOM 965 O GLN A 66 -9.116 7.341 -3.424 1.00 0.00 O ATOM 966 CB GLN A 66 -6.385 6.490 -4.069 1.00 0.00 C ATOM 967 CG GLN A 66 -5.124 6.364 -4.909 1.00 0.00 C ATOM 968 CD GLN A 66 -5.279 6.980 -6.284 1.00 0.00 C ATOM 969 OE1 GLN A 66 -5.707 6.323 -7.233 1.00 0.00 O ATOM 970 NE2 GLN A 66 -4.928 8.249 -6.410 1.00 0.00 N ATOM 0 H GLN A 66 -5.081 8.075 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.006 8.424 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.219 6.004 -3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.194 5.952 -4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.296 6.846 -4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.865 5.310 -5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.577 8.764 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.008 8.713 -7.315 1.00 0.00 H new ATOM 979 N GLY A 67 -8.117 8.649 -1.895 1.00 0.00 N ATOM 980 CA GLY A 67 -9.312 8.764 -1.088 1.00 0.00 C ATOM 981 C GLY A 67 -9.376 7.722 0.005 1.00 0.00 C ATOM 982 O GLY A 67 -10.457 7.285 0.391 1.00 0.00 O ATOM 0 H GLY A 67 -7.302 9.137 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.350 9.757 -0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.189 8.669 -1.728 1.00 0.00 H new ATOM 986 N TYR A 68 -8.218 7.319 0.508 1.00 0.00 N ATOM 987 CA TYR A 68 -8.162 6.341 1.582 1.00 0.00 C ATOM 988 C TYR A 68 -7.477 6.935 2.796 1.00 0.00 C ATOM 989 O TYR A 68 -6.571 7.755 2.667 1.00 0.00 O ATOM 990 CB TYR A 68 -7.426 5.076 1.140 1.00 0.00 C ATOM 991 CG TYR A 68 -8.008 4.437 -0.103 1.00 0.00 C ATOM 992 CD1 TYR A 68 -9.290 3.903 -0.097 1.00 0.00 C ATOM 993 CD2 TYR A 68 -7.277 4.374 -1.280 1.00 0.00 C ATOM 994 CE1 TYR A 68 -9.826 3.325 -1.232 1.00 0.00 C ATOM 995 CE2 TYR A 68 -7.807 3.798 -2.418 1.00 0.00 C ATOM 996 CZ TYR A 68 -9.079 3.275 -2.388 1.00 0.00 C ATOM 997 OH TYR A 68 -9.605 2.704 -3.522 1.00 0.00 O ATOM 0 H TYR A 68 -7.308 7.653 0.190 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.185 6.070 1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.380 5.320 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.446 4.351 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.877 3.940 0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.277 4.782 -1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.825 2.915 -1.213 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.225 3.758 -3.327 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.266 1.789 -3.615 1.00 0.00 H new ATOM 1007 N ASP A 69 -7.927 6.531 3.968 1.00 0.00 N ATOM 1008 CA ASP A 69 -7.324 6.976 5.216 1.00 0.00 C ATOM 1009 C ASP A 69 -6.358 5.913 5.719 1.00 0.00 C ATOM 1010 O ASP A 69 -6.773 4.830 6.133 1.00 0.00 O ATOM 1011 CB ASP A 69 -8.410 7.267 6.256 1.00 0.00 C ATOM 1012 CG ASP A 69 -7.849 7.706 7.595 1.00 0.00 C ATOM 1013 OD1 ASP A 69 -7.257 8.801 7.666 1.00 0.00 O ATOM 1014 OD2 ASP A 69 -8.030 6.972 8.587 1.00 0.00 O ATOM 0 H ASP A 69 -8.713 5.891 4.085 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.770 7.899 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.072 8.044 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.017 6.373 6.399 1.00 0.00 H new ATOM 1019 N VAL A 70 -5.069 6.214 5.643 1.00 0.00 N ATOM 1020 CA VAL A 70 -4.036 5.244 5.975 1.00 0.00 C ATOM 1021 C VAL A 70 -3.060 5.823 6.991 1.00 0.00 C ATOM 1022 O VAL A 70 -2.151 6.575 6.633 1.00 0.00 O ATOM 1023 CB VAL A 70 -3.245 4.807 4.722 1.00 0.00 C ATOM 1024 CG1 VAL A 70 -2.278 3.679 5.050 1.00 0.00 C ATOM 1025 CG2 VAL A 70 -4.184 4.391 3.607 1.00 0.00 C ATOM 0 H VAL A 70 -4.713 7.125 5.353 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.540 4.375 6.398 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.665 5.665 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.735 3.392 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.571 4.015 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.834 2.821 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.603 4.088 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.799 3.556 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.826 5.230 3.340 1.00 0.00 H new ATOM 1035 N GLN A 71 -3.257 5.486 8.254 1.00 0.00 N ATOM 1036 CA GLN A 71 -2.359 5.944 9.302 1.00 0.00 C ATOM 1037 C GLN A 71 -1.536 4.779 9.830 1.00 0.00 C ATOM 1038 O GLN A 71 -0.501 4.460 9.209 1.00 0.00 O ATOM 1039 CB GLN A 71 -3.140 6.605 10.439 1.00 0.00 C ATOM 1040 CG GLN A 71 -3.943 7.813 9.996 1.00 0.00 C ATOM 1041 CD GLN A 71 -4.629 8.508 11.153 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -5.763 8.186 11.504 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -3.943 9.469 11.755 1.00 0.00 N ATOM 1044 OXT GLN A 71 -1.930 4.172 10.850 1.00 0.00 O ATOM 0 H GLN A 71 -4.026 4.900 8.578 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.685 6.688 8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.815 5.872 10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.443 6.908 11.220 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.283 8.519 9.492 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.692 7.501 9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.005 9.705 11.432 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.353 9.973 12.541 1.00 0.00 H new TER 1053 GLN A 71