USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 74 ASN : amide:sc= -1.5! K(o=-0.69!,f=-1.8) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.805 K(o=-0.69,f=-1.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 1.33 (180deg=-0.54) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot -23:sc= 0.891 USER MOD Single : A 5 THR OG1 : rot -59:sc= 0.583 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.13) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc=-0.00136 (180deg=-0.0606) USER MOD Single : A 20 ASN : amide:sc= -2.83! K(o=-2.8!,f=-1.5) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 27 SER OG : rot 180:sc= -0.594 USER MOD Single : A 30 TYR OH : rot 100:sc= -2.29 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.00045) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 42 SER OG : rot -150:sc=-0.00733 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 110:sc= 0.0856 USER MOD Single : A 53 TYR OH : rot 30:sc= -0.421 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= 1.03 (180deg=0.544) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.84! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.923) USER MOD Single : A 73 ASN : amide:sc= 1.15 K(o=1.1,f=-0.26) USER MOD Single : A 78 GLN : amide:sc= 0.577 K(o=0.58,f=-0.02) USER MOD Single : A 79 ASN : amide:sc= -0.0043 K(o=-0.0043,f=-3!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.851 -22.627 -13.477 1.00 13.00 N ATOM 2 CA MET A 1 4.405 -21.468 -12.753 1.00 70.00 C ATOM 3 C MET A 1 5.379 -20.660 -13.601 1.00 43.00 C ATOM 4 O MET A 1 5.249 -19.440 -13.693 1.00 63.00 O ATOM 5 CB MET A 1 5.024 -21.848 -11.374 1.00 45.00 C ATOM 6 CG MET A 1 6.138 -22.902 -11.383 1.00 12.00 C ATOM 7 SD MET A 1 5.567 -24.532 -11.913 1.00 41.00 S ATOM 8 CE MET A 1 7.046 -25.517 -11.669 1.00 35.00 C ATOM 0 H1 MET A 1 2.828 -22.689 -13.302 1.00 13.00 H new ATOM 0 H2 MET A 1 4.022 -22.513 -14.497 1.00 13.00 H new ATOM 0 H3 MET A 1 4.312 -23.497 -13.144 1.00 13.00 H new ATOM 0 HA MET A 1 3.552 -20.823 -12.543 1.00 70.00 H new ATOM 0 HB2 MET A 1 5.419 -20.940 -10.917 1.00 45.00 H new ATOM 0 HB3 MET A 1 4.222 -22.207 -10.729 1.00 45.00 H new ATOM 0 HG2 MET A 1 6.938 -22.571 -12.045 1.00 12.00 H new ATOM 0 HG3 MET A 1 6.564 -22.980 -10.383 1.00 12.00 H new ATOM 0 HE1 MET A 1 6.847 -26.550 -11.955 1.00 35.00 H new ATOM 0 HE2 MET A 1 7.853 -25.120 -12.284 1.00 35.00 H new ATOM 0 HE3 MET A 1 7.338 -25.481 -10.620 1.00 35.00 H new ATOM 18 N GLN A 2 6.334 -21.308 -14.258 1.00 41.00 N ATOM 19 CA GLN A 2 7.281 -20.572 -15.069 1.00 71.00 C ATOM 20 C GLN A 2 6.743 -20.379 -16.484 1.00 33.00 C ATOM 21 O GLN A 2 7.095 -21.098 -17.427 1.00 25.00 O ATOM 22 CB GLN A 2 8.680 -21.207 -15.062 1.00 24.00 C ATOM 23 CG GLN A 2 9.703 -20.469 -15.916 1.00 14.00 C ATOM 24 CD GLN A 2 11.062 -21.116 -15.885 1.00 53.00 C ATOM 25 OE1 GLN A 2 11.913 -20.772 -15.059 1.00 41.00 O ATOM 26 NE2 GLN A 2 11.272 -22.078 -16.734 1.00 1.00 N ATOM 0 H GLN A 2 6.468 -22.319 -14.244 1.00 41.00 H new ATOM 0 HA GLN A 2 7.400 -19.586 -14.620 1.00 71.00 H new ATOM 0 HB2 GLN A 2 9.043 -21.249 -14.035 1.00 24.00 H new ATOM 0 HB3 GLN A 2 8.602 -22.235 -15.415 1.00 24.00 H new ATOM 0 HG2 GLN A 2 9.348 -20.428 -16.946 1.00 14.00 H new ATOM 0 HG3 GLN A 2 9.787 -19.440 -15.567 1.00 14.00 H new ATOM 0 HE21 GLN A 2 10.546 -22.336 -17.403 1.00 1.00 H new ATOM 0 HE22 GLN A 2 12.163 -22.575 -16.731 1.00 1.00 H new ATOM 35 N THR A 3 5.796 -19.510 -16.579 1.00 34.00 N ATOM 36 CA THR A 3 5.190 -19.087 -17.810 1.00 14.00 C ATOM 37 C THR A 3 4.501 -17.816 -17.486 1.00 43.00 C ATOM 38 O THR A 3 3.858 -17.712 -16.434 1.00 71.00 O ATOM 39 CB THR A 3 4.115 -20.078 -18.328 1.00 32.00 C ATOM 40 OG1 THR A 3 4.606 -21.422 -18.283 1.00 60.00 O ATOM 41 CG2 THR A 3 3.790 -19.763 -19.763 1.00 55.00 C ATOM 0 H THR A 3 5.398 -19.047 -15.762 1.00 34.00 H new ATOM 0 HA THR A 3 5.956 -19.008 -18.582 1.00 14.00 H new ATOM 0 HB THR A 3 3.233 -19.981 -17.695 1.00 32.00 H new ATOM 0 HG1 THR A 3 5.586 -21.413 -18.292 1.00 60.00 H new ATOM 0 HG21 THR A 3 3.035 -20.460 -20.126 1.00 55.00 H new ATOM 0 HG22 THR A 3 3.409 -18.744 -19.835 1.00 55.00 H new ATOM 0 HG23 THR A 3 4.691 -19.856 -20.369 1.00 55.00 H new ATOM 49 N ASP A 4 4.645 -16.857 -18.323 1.00 32.00 N ATOM 50 CA ASP A 4 3.985 -15.611 -18.116 1.00 31.00 C ATOM 51 C ASP A 4 2.541 -15.790 -18.516 1.00 30.00 C ATOM 52 O ASP A 4 2.218 -16.707 -19.285 1.00 74.00 O ATOM 53 CB ASP A 4 4.661 -14.523 -18.917 1.00 24.00 C ATOM 54 CG ASP A 4 6.068 -14.225 -18.433 1.00 63.00 C ATOM 55 OD1 ASP A 4 6.230 -13.401 -17.511 1.00 45.00 O ATOM 56 OD2 ASP A 4 7.041 -14.815 -18.962 1.00 14.00 O ATOM 0 H ASP A 4 5.217 -16.906 -19.166 1.00 32.00 H new ATOM 0 HA ASP A 4 4.037 -15.308 -17.070 1.00 31.00 H new ATOM 0 HB2 ASP A 4 4.697 -14.819 -19.965 1.00 24.00 H new ATOM 0 HB3 ASP A 4 4.063 -13.613 -18.863 1.00 24.00 H new ATOM 61 N THR A 5 1.667 -15.001 -18.000 1.00 64.00 N ATOM 62 CA THR A 5 0.262 -15.189 -18.273 1.00 42.00 C ATOM 63 C THR A 5 -0.453 -13.850 -18.237 1.00 63.00 C ATOM 64 O THR A 5 -0.007 -12.949 -17.556 1.00 12.00 O ATOM 65 CB THR A 5 -0.341 -16.216 -17.254 1.00 15.00 C ATOM 66 OG1 THR A 5 0.313 -17.491 -17.373 1.00 52.00 O ATOM 67 CG2 THR A 5 -1.843 -16.390 -17.385 1.00 73.00 C ATOM 0 H THR A 5 1.886 -14.217 -17.386 1.00 64.00 H new ATOM 0 HA THR A 5 0.126 -15.602 -19.272 1.00 42.00 H new ATOM 0 HB THR A 5 -0.160 -15.798 -16.264 1.00 15.00 H new ATOM 0 HG1 THR A 5 0.199 -17.833 -18.284 1.00 52.00 H new ATOM 0 HG21 THR A 5 -2.191 -17.115 -16.649 1.00 73.00 H new ATOM 0 HG22 THR A 5 -2.336 -15.433 -17.213 1.00 73.00 H new ATOM 0 HG23 THR A 5 -2.082 -16.747 -18.387 1.00 73.00 H new ATOM 75 N LEU A 6 -1.566 -13.723 -18.959 1.00 22.00 N ATOM 76 CA LEU A 6 -2.232 -12.442 -19.050 1.00 10.00 C ATOM 77 C LEU A 6 -3.137 -12.192 -17.842 1.00 23.00 C ATOM 78 O LEU A 6 -2.847 -12.655 -16.753 1.00 54.00 O ATOM 79 CB LEU A 6 -2.963 -12.276 -20.404 1.00 63.00 C ATOM 80 CG LEU A 6 -2.076 -12.324 -21.664 1.00 73.00 C ATOM 81 CD1 LEU A 6 -2.856 -11.874 -22.883 1.00 41.00 C ATOM 82 CD2 LEU A 6 -0.806 -11.494 -21.498 1.00 22.00 C ATOM 0 H LEU A 6 -2.012 -14.480 -19.477 1.00 22.00 H new ATOM 0 HA LEU A 6 -1.469 -11.664 -19.022 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -3.717 -13.059 -20.485 1.00 63.00 H new ATOM 0 HB3 LEU A 6 -3.493 -11.323 -20.393 1.00 63.00 H new ATOM 0 HG LEU A 6 -1.770 -13.360 -21.809 1.00 73.00 H new ATOM 0 HD11 LEU A 6 -2.213 -11.915 -23.762 1.00 41.00 H new ATOM 0 HD12 LEU A 6 -3.713 -12.531 -23.030 1.00 41.00 H new ATOM 0 HD13 LEU A 6 -3.204 -10.852 -22.735 1.00 41.00 H new ATOM 0 HD21 LEU A 6 -0.210 -11.555 -22.408 1.00 22.00 H new ATOM 0 HD22 LEU A 6 -1.073 -10.454 -21.308 1.00 22.00 H new ATOM 0 HD23 LEU A 6 -0.227 -11.879 -20.659 1.00 22.00 H new ATOM 94 N GLU A 7 -4.229 -11.474 -18.050 1.00 51.00 N ATOM 95 CA GLU A 7 -5.118 -11.046 -16.989 1.00 53.00 C ATOM 96 C GLU A 7 -5.775 -12.268 -16.382 1.00 21.00 C ATOM 97 O GLU A 7 -6.092 -12.312 -15.204 1.00 4.00 O ATOM 98 CB GLU A 7 -6.174 -10.103 -17.602 1.00 53.00 C ATOM 99 CG GLU A 7 -7.170 -9.540 -16.612 1.00 41.00 C ATOM 100 CD GLU A 7 -8.214 -8.620 -17.241 1.00 31.00 C ATOM 101 OE1 GLU A 7 -8.165 -8.358 -18.456 1.00 40.00 O ATOM 102 OE2 GLU A 7 -9.105 -8.137 -16.509 1.00 53.00 O ATOM 0 H GLU A 7 -4.525 -11.169 -18.977 1.00 51.00 H new ATOM 0 HA GLU A 7 -4.575 -10.518 -16.205 1.00 53.00 H new ATOM 0 HB2 GLU A 7 -5.661 -9.275 -18.092 1.00 53.00 H new ATOM 0 HB3 GLU A 7 -6.718 -10.644 -18.376 1.00 53.00 H new ATOM 0 HG2 GLU A 7 -7.680 -10.365 -16.115 1.00 41.00 H new ATOM 0 HG3 GLU A 7 -6.630 -8.988 -15.842 1.00 41.00 H new ATOM 109 N TYR A 8 -5.904 -13.271 -17.229 1.00 12.00 N ATOM 110 CA TYR A 8 -6.519 -14.552 -17.003 1.00 24.00 C ATOM 111 C TYR A 8 -7.932 -14.585 -16.406 1.00 51.00 C ATOM 112 O TYR A 8 -8.551 -15.631 -16.377 1.00 13.00 O ATOM 113 CB TYR A 8 -5.585 -15.612 -16.418 1.00 15.00 C ATOM 114 CG TYR A 8 -5.100 -15.447 -14.998 1.00 11.00 C ATOM 115 CD1 TYR A 8 -5.816 -15.981 -13.943 1.00 41.00 C ATOM 116 CD2 TYR A 8 -3.896 -14.821 -14.722 1.00 61.00 C ATOM 117 CE1 TYR A 8 -5.349 -15.897 -12.656 1.00 32.00 C ATOM 118 CE2 TYR A 8 -3.427 -14.720 -13.434 1.00 72.00 C ATOM 119 CZ TYR A 8 -4.154 -15.264 -12.407 1.00 2.00 C ATOM 120 OH TYR A 8 -3.674 -15.201 -11.123 1.00 0.00 O ATOM 0 H TYR A 8 -5.545 -13.196 -18.181 1.00 12.00 H new ATOM 0 HA TYR A 8 -6.716 -14.846 -18.034 1.00 24.00 H new ATOM 0 HB2 TYR A 8 -6.094 -16.574 -16.484 1.00 15.00 H new ATOM 0 HB3 TYR A 8 -4.708 -15.671 -17.062 1.00 15.00 H new ATOM 0 HD1 TYR A 8 -6.758 -16.472 -14.135 1.00 41.00 H new ATOM 0 HD2 TYR A 8 -3.316 -14.405 -15.532 1.00 61.00 H new ATOM 0 HE1 TYR A 8 -5.916 -16.325 -11.843 1.00 32.00 H new ATOM 0 HE2 TYR A 8 -2.493 -14.216 -13.233 1.00 72.00 H new ATOM 0 HH TYR A 8 -2.819 -14.722 -11.116 1.00 0.00 H new ATOM 130 N GLN A 9 -8.444 -13.458 -16.023 1.00 61.00 N ATOM 131 CA GLN A 9 -9.742 -13.318 -15.430 1.00 32.00 C ATOM 132 C GLN A 9 -10.294 -12.073 -15.939 1.00 74.00 C ATOM 133 O GLN A 9 -10.449 -11.081 -15.240 1.00 54.00 O ATOM 134 CB GLN A 9 -9.711 -13.316 -13.912 1.00 22.00 C ATOM 135 CG GLN A 9 -9.299 -14.629 -13.347 1.00 0.00 C ATOM 136 CD GLN A 9 -9.346 -14.653 -11.839 1.00 23.00 C ATOM 137 OE1 GLN A 9 -8.361 -14.329 -11.159 1.00 41.00 O ATOM 138 NE2 GLN A 9 -10.480 -15.012 -11.298 1.00 13.00 N ATOM 0 H GLN A 9 -7.950 -12.571 -16.118 1.00 61.00 H new ATOM 0 HA GLN A 9 -10.359 -14.176 -15.697 1.00 32.00 H new ATOM 0 HB2 GLN A 9 -9.023 -12.544 -13.567 1.00 22.00 H new ATOM 0 HB3 GLN A 9 -10.699 -13.055 -13.532 1.00 22.00 H new ATOM 0 HG2 GLN A 9 -9.951 -15.410 -13.739 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.287 -14.862 -13.679 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.268 -15.272 -11.891 1.00 13.00 H new ATOM 0 HE22 GLN A 9 -10.577 -15.032 -10.283 1.00 13.00 H new ATOM 147 N CYS A 10 -10.486 -12.111 -17.179 1.00 31.00 N ATOM 148 CA CYS A 10 -10.962 -10.994 -17.914 1.00 0.00 C ATOM 149 C CYS A 10 -12.455 -10.866 -17.706 1.00 54.00 C ATOM 150 O CYS A 10 -13.117 -11.780 -17.166 1.00 12.00 O ATOM 151 CB CYS A 10 -10.682 -11.187 -19.396 1.00 22.00 C ATOM 152 SG CYS A 10 -8.949 -11.386 -19.893 1.00 42.00 S ATOM 0 H CYS A 10 -10.316 -12.940 -17.749 1.00 31.00 H new ATOM 0 HA CYS A 10 -10.455 -10.094 -17.567 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.233 -12.065 -19.732 1.00 22.00 H new ATOM 0 HB3 CYS A 10 -11.091 -10.330 -19.931 1.00 22.00 H new ATOM 157 N ASP A 11 -12.991 -9.776 -18.137 1.00 53.00 N ATOM 158 CA ASP A 11 -14.415 -9.533 -18.040 1.00 44.00 C ATOM 159 C ASP A 11 -15.136 -10.246 -19.182 1.00 13.00 C ATOM 160 O ASP A 11 -16.356 -10.412 -19.186 1.00 21.00 O ATOM 161 CB ASP A 11 -14.670 -8.029 -18.056 1.00 4.00 C ATOM 162 CG ASP A 11 -16.121 -7.653 -17.933 1.00 51.00 C ATOM 163 OD1 ASP A 11 -16.703 -7.836 -16.847 1.00 74.00 O ATOM 164 OD2 ASP A 11 -16.698 -7.141 -18.914 1.00 23.00 O ATOM 0 H ASP A 11 -12.465 -9.017 -18.570 1.00 53.00 H new ATOM 0 HA ASP A 11 -14.806 -9.931 -17.104 1.00 44.00 H new ATOM 0 HB2 ASP A 11 -14.115 -7.568 -17.239 1.00 4.00 H new ATOM 0 HB3 ASP A 11 -14.275 -7.614 -18.983 1.00 4.00 H new ATOM 169 N GLU A 12 -14.353 -10.703 -20.127 1.00 4.00 N ATOM 170 CA GLU A 12 -14.831 -11.379 -21.252 1.00 23.00 C ATOM 171 C GLU A 12 -14.905 -12.864 -20.931 1.00 60.00 C ATOM 172 O GLU A 12 -15.974 -13.467 -20.910 1.00 14.00 O ATOM 173 CB GLU A 12 -13.834 -11.135 -22.372 1.00 72.00 C ATOM 174 CG GLU A 12 -14.269 -11.547 -23.740 1.00 34.00 C ATOM 175 CD GLU A 12 -15.382 -10.724 -24.266 1.00 44.00 C ATOM 176 OE1 GLU A 12 -16.543 -11.083 -24.065 1.00 54.00 O ATOM 177 OE2 GLU A 12 -15.113 -9.736 -24.922 1.00 23.00 O ATOM 0 H GLU A 12 -13.338 -10.599 -20.111 1.00 4.00 H new ATOM 0 HA GLU A 12 -15.823 -11.033 -21.543 1.00 23.00 H new ATOM 0 HB2 GLU A 12 -13.596 -10.072 -22.394 1.00 72.00 H new ATOM 0 HB3 GLU A 12 -12.912 -11.664 -22.132 1.00 72.00 H new ATOM 0 HG2 GLU A 12 -13.421 -11.479 -24.421 1.00 34.00 H new ATOM 0 HG3 GLU A 12 -14.577 -12.592 -23.718 1.00 34.00 H new ATOM 184 N LYS A 13 -13.759 -13.417 -20.609 1.00 61.00 N ATOM 185 CA LYS A 13 -13.567 -14.849 -20.420 1.00 44.00 C ATOM 186 C LYS A 13 -12.395 -14.991 -19.486 1.00 30.00 C ATOM 187 O LYS A 13 -11.710 -14.000 -19.229 1.00 13.00 O ATOM 188 CB LYS A 13 -13.110 -15.496 -21.751 1.00 2.00 C ATOM 189 CG LYS A 13 -13.912 -15.141 -22.977 1.00 31.00 C ATOM 190 CD LYS A 13 -15.320 -15.721 -22.992 1.00 3.00 C ATOM 191 CE LYS A 13 -15.321 -17.237 -22.873 1.00 44.00 C ATOM 192 NZ LYS A 13 -16.680 -17.780 -22.976 1.00 62.00 N ATOM 0 H LYS A 13 -12.907 -12.875 -20.466 1.00 61.00 H new ATOM 0 HA LYS A 13 -14.487 -15.309 -20.060 1.00 44.00 H new ATOM 0 HB2 LYS A 13 -12.072 -15.216 -21.929 1.00 2.00 H new ATOM 0 HB3 LYS A 13 -13.132 -16.579 -21.630 1.00 2.00 H new ATOM 0 HG2 LYS A 13 -13.978 -14.056 -23.053 1.00 31.00 H new ATOM 0 HG3 LYS A 13 -13.378 -15.490 -23.861 1.00 31.00 H new ATOM 0 HD2 LYS A 13 -15.895 -15.294 -22.171 1.00 3.00 H new ATOM 0 HD3 LYS A 13 -15.820 -15.431 -23.916 1.00 3.00 H new ATOM 0 HE2 LYS A 13 -14.696 -17.666 -23.656 1.00 44.00 H new ATOM 0 HE3 LYS A 13 -14.882 -17.529 -21.919 1.00 44.00 H new ATOM 0 HZ1 LYS A 13 -16.651 -18.813 -22.857 1.00 62.00 H new ATOM 0 HZ2 LYS A 13 -17.278 -17.363 -22.234 1.00 62.00 H new ATOM 0 HZ3 LYS A 13 -17.076 -17.550 -23.910 1.00 62.00 H new ATOM 206 N PRO A 14 -12.135 -16.166 -18.945 1.00 35.00 N ATOM 207 CA PRO A 14 -10.897 -16.391 -18.273 1.00 24.00 C ATOM 208 C PRO A 14 -9.827 -16.666 -19.340 1.00 51.00 C ATOM 209 O PRO A 14 -9.889 -17.664 -20.043 1.00 71.00 O ATOM 210 CB PRO A 14 -11.140 -17.615 -17.383 1.00 45.00 C ATOM 211 CG PRO A 14 -12.376 -18.282 -17.914 1.00 23.00 C ATOM 212 CD PRO A 14 -13.024 -17.345 -18.909 1.00 1.00 C ATOM 0 HA PRO A 14 -10.558 -15.548 -17.671 1.00 24.00 H new ATOM 0 HB2 PRO A 14 -10.288 -18.294 -17.414 1.00 45.00 H new ATOM 0 HB3 PRO A 14 -11.274 -17.319 -16.343 1.00 45.00 H new ATOM 0 HG2 PRO A 14 -12.123 -19.229 -18.392 1.00 23.00 H new ATOM 0 HG3 PRO A 14 -13.065 -18.510 -17.101 1.00 23.00 H new ATOM 0 HD2 PRO A 14 -13.108 -17.808 -19.892 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -14.032 -17.072 -18.598 1.00 1.00 H new ATOM 220 N LEU A 15 -8.871 -15.777 -19.477 1.00 43.00 N ATOM 221 CA LEU A 15 -7.925 -15.883 -20.546 1.00 53.00 C ATOM 222 C LEU A 15 -6.580 -16.196 -19.991 1.00 12.00 C ATOM 223 O LEU A 15 -5.735 -15.300 -19.772 1.00 25.00 O ATOM 224 CB LEU A 15 -7.859 -14.603 -21.365 1.00 1.00 C ATOM 225 CG LEU A 15 -6.913 -14.655 -22.557 1.00 4.00 C ATOM 226 CD1 LEU A 15 -7.397 -15.652 -23.587 1.00 13.00 C ATOM 227 CD2 LEU A 15 -6.694 -13.289 -23.171 1.00 63.00 C ATOM 0 H LEU A 15 -8.734 -14.977 -18.860 1.00 43.00 H new ATOM 0 HA LEU A 15 -8.251 -16.686 -21.208 1.00 53.00 H new ATOM 0 HB2 LEU A 15 -8.861 -14.366 -21.724 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -7.553 -13.786 -20.712 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.945 -14.993 -22.188 1.00 4.00 H new ATOM 0 HD11 LEU A 15 -6.705 -15.671 -24.429 1.00 13.00 H new ATOM 0 HD12 LEU A 15 -7.449 -16.644 -23.137 1.00 13.00 H new ATOM 0 HD13 LEU A 15 -8.387 -15.361 -23.938 1.00 13.00 H new ATOM 0 HD21 LEU A 15 -6.013 -13.376 -24.017 1.00 63.00 H new ATOM 0 HD22 LEU A 15 -7.648 -12.886 -23.512 1.00 63.00 H new ATOM 0 HD23 LEU A 15 -6.264 -12.620 -22.426 1.00 63.00 H new ATOM 239 N THR A 16 -6.385 -17.412 -19.680 1.00 52.00 N ATOM 240 CA THR A 16 -5.160 -17.802 -19.107 1.00 32.00 C ATOM 241 C THR A 16 -4.183 -18.181 -20.209 1.00 21.00 C ATOM 242 O THR A 16 -4.236 -19.267 -20.771 1.00 70.00 O ATOM 243 CB THR A 16 -5.360 -18.945 -18.115 1.00 33.00 C ATOM 244 OG1 THR A 16 -6.693 -18.842 -17.542 1.00 24.00 O ATOM 245 CG2 THR A 16 -4.351 -18.815 -17.000 1.00 71.00 C ATOM 0 H THR A 16 -7.062 -18.163 -19.813 1.00 52.00 H new ATOM 0 HA THR A 16 -4.743 -16.965 -18.547 1.00 32.00 H new ATOM 0 HB THR A 16 -5.237 -19.901 -18.624 1.00 33.00 H new ATOM 0 HG1 THR A 16 -6.832 -19.573 -16.904 1.00 24.00 H new ATOM 0 HG21 THR A 16 -4.489 -19.629 -16.288 1.00 71.00 H new ATOM 0 HG22 THR A 16 -3.344 -18.861 -17.414 1.00 71.00 H new ATOM 0 HG23 THR A 16 -4.491 -17.861 -16.492 1.00 71.00 H new ATOM 253 N VAL A 17 -3.361 -17.233 -20.539 1.00 4.00 N ATOM 254 CA VAL A 17 -2.378 -17.345 -21.582 1.00 13.00 C ATOM 255 C VAL A 17 -1.083 -17.908 -21.062 1.00 34.00 C ATOM 256 O VAL A 17 -0.582 -17.465 -20.061 1.00 2.00 O ATOM 257 CB VAL A 17 -2.108 -15.944 -22.188 1.00 33.00 C ATOM 258 CG1 VAL A 17 -0.890 -15.932 -23.086 1.00 4.00 C ATOM 259 CG2 VAL A 17 -3.313 -15.461 -22.952 1.00 52.00 C ATOM 0 H VAL A 17 -3.353 -16.325 -20.074 1.00 4.00 H new ATOM 0 HA VAL A 17 -2.769 -18.023 -22.341 1.00 13.00 H new ATOM 0 HB VAL A 17 -1.909 -15.269 -21.355 1.00 33.00 H new ATOM 0 HG11 VAL A 17 -0.743 -14.929 -23.486 1.00 4.00 H new ATOM 0 HG12 VAL A 17 -0.012 -16.226 -22.512 1.00 4.00 H new ATOM 0 HG13 VAL A 17 -1.037 -16.632 -23.908 1.00 4.00 H new ATOM 0 HG21 VAL A 17 -3.107 -14.476 -23.371 1.00 52.00 H new ATOM 0 HG22 VAL A 17 -3.536 -16.159 -23.759 1.00 52.00 H new ATOM 0 HG23 VAL A 17 -4.169 -15.398 -22.280 1.00 52.00 H new ATOM 269 N LYS A 18 -0.558 -18.872 -21.740 1.00 51.00 N ATOM 270 CA LYS A 18 0.745 -19.351 -21.443 1.00 44.00 C ATOM 271 C LYS A 18 1.641 -18.611 -22.366 1.00 41.00 C ATOM 272 O LYS A 18 1.794 -18.982 -23.530 1.00 31.00 O ATOM 273 CB LYS A 18 0.916 -20.869 -21.666 1.00 15.00 C ATOM 274 CG LYS A 18 0.370 -21.797 -20.585 1.00 10.00 C ATOM 275 CD LYS A 18 -1.100 -21.602 -20.328 1.00 52.00 C ATOM 276 CE LYS A 18 -1.654 -22.684 -19.424 1.00 33.00 C ATOM 277 NZ LYS A 18 -1.013 -22.687 -18.092 1.00 4.00 N ATOM 0 H LYS A 18 -1.021 -19.348 -22.514 1.00 51.00 H new ATOM 0 HA LYS A 18 0.965 -19.192 -20.387 1.00 44.00 H new ATOM 0 HB2 LYS A 18 0.435 -21.129 -22.609 1.00 15.00 H new ATOM 0 HB3 LYS A 18 1.980 -21.076 -21.783 1.00 15.00 H new ATOM 0 HG2 LYS A 18 0.547 -22.832 -20.879 1.00 10.00 H new ATOM 0 HG3 LYS A 18 0.920 -21.630 -19.659 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -1.264 -20.626 -19.872 1.00 52.00 H new ATOM 0 HD3 LYS A 18 -1.640 -21.606 -21.275 1.00 52.00 H new ATOM 0 HE2 LYS A 18 -2.728 -22.541 -19.307 1.00 33.00 H new ATOM 0 HE3 LYS A 18 -1.511 -23.656 -19.895 1.00 33.00 H new ATOM 0 HZ1 LYS A 18 -1.504 -23.362 -17.472 1.00 4.00 H new ATOM 0 HZ2 LYS A 18 -0.016 -22.966 -18.187 1.00 4.00 H new ATOM 0 HZ3 LYS A 18 -1.068 -21.734 -17.678 1.00 4.00 H new ATOM 291 N LEU A 19 2.132 -17.530 -21.891 1.00 60.00 N ATOM 292 CA LEU A 19 2.912 -16.680 -22.624 1.00 75.00 C ATOM 293 C LEU A 19 4.325 -17.136 -22.518 1.00 20.00 C ATOM 294 O LEU A 19 5.005 -16.894 -21.515 1.00 64.00 O ATOM 295 CB LEU A 19 2.745 -15.298 -22.053 1.00 51.00 C ATOM 296 CG LEU A 19 3.557 -14.205 -22.677 1.00 54.00 C ATOM 297 CD1 LEU A 19 3.252 -14.064 -24.165 1.00 55.00 C ATOM 298 CD2 LEU A 19 3.347 -12.891 -21.948 1.00 74.00 C ATOM 0 H LEU A 19 1.979 -17.221 -20.931 1.00 60.00 H new ATOM 0 HA LEU A 19 2.627 -16.670 -23.676 1.00 75.00 H new ATOM 0 HB2 LEU A 19 1.693 -15.024 -22.129 1.00 51.00 H new ATOM 0 HB3 LEU A 19 2.988 -15.338 -20.991 1.00 51.00 H new ATOM 0 HG LEU A 19 4.608 -14.478 -22.583 1.00 54.00 H new ATOM 0 HD11 LEU A 19 3.858 -13.262 -24.586 1.00 55.00 H new ATOM 0 HD12 LEU A 19 3.483 -15.000 -24.674 1.00 55.00 H new ATOM 0 HD13 LEU A 19 2.196 -13.829 -24.299 1.00 55.00 H new ATOM 0 HD21 LEU A 19 3.947 -12.113 -22.420 1.00 74.00 H new ATOM 0 HD22 LEU A 19 2.294 -12.614 -21.993 1.00 74.00 H new ATOM 0 HD23 LEU A 19 3.649 -13.000 -20.906 1.00 74.00 H new ATOM 310 N ASN A 20 4.727 -17.883 -23.470 1.00 15.00 N ATOM 311 CA ASN A 20 6.087 -18.306 -23.536 1.00 4.00 C ATOM 312 C ASN A 20 6.798 -17.351 -24.452 1.00 44.00 C ATOM 313 O ASN A 20 6.737 -17.493 -25.675 1.00 54.00 O ATOM 314 CB ASN A 20 6.225 -19.753 -24.043 1.00 13.00 C ATOM 315 CG ASN A 20 5.785 -20.827 -23.057 1.00 45.00 C ATOM 316 OD1 ASN A 20 5.190 -21.835 -23.452 1.00 32.00 O ATOM 317 ND2 ASN A 20 6.155 -20.690 -21.805 1.00 44.00 N ATOM 0 H ASN A 20 4.134 -18.223 -24.227 1.00 15.00 H new ATOM 0 HA ASN A 20 6.524 -18.298 -22.538 1.00 4.00 H new ATOM 0 HB2 ASN A 20 5.640 -19.859 -24.957 1.00 13.00 H new ATOM 0 HB3 ASN A 20 7.267 -19.931 -24.309 1.00 13.00 H new ATOM 0 HD21 ASN A 20 5.952 -21.427 -21.130 1.00 44.00 H new ATOM 0 HD22 ASN A 20 6.645 -19.846 -21.507 1.00 44.00 H new ATOM 324 N ASN A 21 7.411 -16.350 -23.867 1.00 63.00 N ATOM 325 CA ASN A 21 8.050 -15.275 -24.618 1.00 43.00 C ATOM 326 C ASN A 21 9.185 -15.756 -25.548 1.00 73.00 C ATOM 327 O ASN A 21 9.161 -15.430 -26.723 1.00 54.00 O ATOM 328 CB ASN A 21 8.494 -14.127 -23.697 1.00 2.00 C ATOM 329 CG ASN A 21 9.109 -12.954 -24.452 1.00 65.00 C ATOM 330 OD1 ASN A 21 8.396 -12.081 -24.933 1.00 74.00 O ATOM 331 ND2 ASN A 21 10.416 -12.882 -24.501 1.00 62.00 N ATOM 0 H ASN A 21 7.486 -16.250 -22.855 1.00 63.00 H new ATOM 0 HA ASN A 21 7.285 -14.881 -25.287 1.00 43.00 H new ATOM 0 HB2 ASN A 21 7.634 -13.774 -23.128 1.00 2.00 H new ATOM 0 HB3 ASN A 21 9.219 -14.507 -22.977 1.00 2.00 H new ATOM 0 HD21 ASN A 21 10.866 -12.084 -24.948 1.00 62.00 H new ATOM 0 HD22 ASN A 21 10.983 -13.624 -24.092 1.00 62.00 H new ATOM 338 N PRO A 22 10.172 -16.591 -25.070 1.00 32.00 N ATOM 339 CA PRO A 22 11.267 -17.089 -25.939 1.00 13.00 C ATOM 340 C PRO A 22 10.762 -18.075 -26.999 1.00 4.00 C ATOM 341 O PRO A 22 11.488 -18.469 -27.908 1.00 23.00 O ATOM 342 CB PRO A 22 12.219 -17.799 -24.961 1.00 42.00 C ATOM 343 CG PRO A 22 11.815 -17.327 -23.607 1.00 33.00 C ATOM 344 CD PRO A 22 10.343 -17.089 -23.685 1.00 14.00 C ATOM 0 HA PRO A 22 11.739 -16.280 -26.497 1.00 13.00 H new ATOM 0 HB2 PRO A 22 12.130 -18.882 -25.043 1.00 42.00 H new ATOM 0 HB3 PRO A 22 13.258 -17.547 -25.171 1.00 42.00 H new ATOM 0 HG2 PRO A 22 12.052 -18.071 -22.846 1.00 33.00 H new ATOM 0 HG3 PRO A 22 12.345 -16.414 -23.336 1.00 33.00 H new ATOM 0 HD2 PRO A 22 9.774 -18.002 -23.509 1.00 14.00 H new ATOM 0 HD3 PRO A 22 10.010 -16.359 -22.947 1.00 14.00 H new ATOM 352 N ARG A 23 9.515 -18.454 -26.866 1.00 72.00 N ATOM 353 CA ARG A 23 8.880 -19.374 -27.776 1.00 11.00 C ATOM 354 C ARG A 23 7.974 -18.618 -28.762 1.00 33.00 C ATOM 355 O ARG A 23 7.665 -19.129 -29.844 1.00 71.00 O ATOM 356 CB ARG A 23 8.082 -20.406 -26.966 1.00 4.00 C ATOM 357 CG ARG A 23 7.256 -21.384 -27.772 1.00 63.00 C ATOM 358 CD ARG A 23 6.465 -22.310 -26.862 1.00 63.00 C ATOM 359 NE ARG A 23 5.422 -23.014 -27.600 1.00 43.00 N ATOM 360 CZ ARG A 23 4.413 -23.708 -27.057 1.00 41.00 C ATOM 361 NH1 ARG A 23 4.402 -23.978 -25.748 1.00 42.00 N ATOM 362 NH2 ARG A 23 3.410 -24.127 -27.832 1.00 62.00 N ATOM 0 H ARG A 23 8.906 -18.129 -26.115 1.00 72.00 H new ATOM 0 HA ARG A 23 9.638 -19.893 -28.363 1.00 11.00 H new ATOM 0 HB2 ARG A 23 8.779 -20.972 -26.348 1.00 4.00 H new ATOM 0 HB3 ARG A 23 7.417 -19.871 -26.288 1.00 4.00 H new ATOM 0 HG2 ARG A 23 6.573 -20.838 -28.423 1.00 63.00 H new ATOM 0 HG3 ARG A 23 7.909 -21.972 -28.416 1.00 63.00 H new ATOM 0 HD2 ARG A 23 7.138 -23.033 -26.401 1.00 63.00 H new ATOM 0 HD3 ARG A 23 6.015 -21.733 -26.054 1.00 63.00 H new ATOM 0 HE ARG A 23 5.465 -22.974 -28.618 1.00 43.00 H new ATOM 0 HH11 ARG A 23 5.166 -23.655 -25.154 1.00 42.00 H new ATOM 0 HH12 ARG A 23 3.630 -24.507 -25.343 1.00 42.00 H new ATOM 0 HH21 ARG A 23 3.415 -23.918 -28.830 1.00 62.00 H new ATOM 0 HH22 ARG A 23 2.638 -24.656 -27.426 1.00 62.00 H new ATOM 376 N GLN A 24 7.588 -17.388 -28.386 1.00 22.00 N ATOM 377 CA GLN A 24 6.674 -16.546 -29.157 1.00 5.00 C ATOM 378 C GLN A 24 5.341 -17.259 -29.438 1.00 72.00 C ATOM 379 O GLN A 24 4.750 -17.135 -30.529 1.00 30.00 O ATOM 380 CB GLN A 24 7.350 -16.039 -30.426 1.00 60.00 C ATOM 381 CG GLN A 24 8.440 -15.007 -30.159 1.00 4.00 C ATOM 382 CD GLN A 24 9.134 -14.520 -31.415 1.00 53.00 C ATOM 383 OE1 GLN A 24 8.547 -14.485 -32.504 1.00 1.00 O ATOM 384 NE2 GLN A 24 10.367 -14.112 -31.277 1.00 23.00 N ATOM 0 H GLN A 24 7.910 -16.949 -27.524 1.00 22.00 H new ATOM 0 HA GLN A 24 6.425 -15.673 -28.554 1.00 5.00 H new ATOM 0 HB2 GLN A 24 7.783 -16.884 -30.961 1.00 60.00 H new ATOM 0 HB3 GLN A 24 6.596 -15.600 -31.080 1.00 60.00 H new ATOM 0 HG2 GLN A 24 8.002 -14.153 -29.642 1.00 4.00 H new ATOM 0 HG3 GLN A 24 9.182 -15.440 -29.488 1.00 4.00 H new ATOM 0 HE21 GLN A 24 10.819 -14.155 -30.364 1.00 23.00 H new ATOM 0 HE22 GLN A 24 10.878 -13.750 -32.082 1.00 23.00 H new ATOM 393 N GLU A 25 4.865 -17.976 -28.429 1.00 53.00 N ATOM 394 CA GLU A 25 3.599 -18.683 -28.483 1.00 62.00 C ATOM 395 C GLU A 25 2.800 -18.459 -27.234 1.00 1.00 C ATOM 396 O GLU A 25 3.355 -18.245 -26.145 1.00 0.00 O ATOM 397 CB GLU A 25 3.763 -20.186 -28.704 1.00 14.00 C ATOM 398 CG GLU A 25 4.025 -20.590 -30.134 1.00 43.00 C ATOM 399 CD GLU A 25 4.244 -22.070 -30.284 1.00 72.00 C ATOM 400 OE1 GLU A 25 3.278 -22.835 -30.348 1.00 64.00 O ATOM 401 OE2 GLU A 25 5.419 -22.511 -30.307 1.00 5.00 O ATOM 0 H GLU A 25 5.355 -18.082 -27.541 1.00 53.00 H new ATOM 0 HA GLU A 25 3.069 -18.272 -29.342 1.00 62.00 H new ATOM 0 HB2 GLU A 25 4.585 -20.543 -28.084 1.00 14.00 H new ATOM 0 HB3 GLU A 25 2.861 -20.691 -28.358 1.00 14.00 H new ATOM 0 HG2 GLU A 25 3.182 -20.286 -30.754 1.00 43.00 H new ATOM 0 HG3 GLU A 25 4.901 -20.057 -30.504 1.00 43.00 H new ATOM 408 N VAL A 26 1.514 -18.503 -27.405 1.00 32.00 N ATOM 409 CA VAL A 26 0.554 -18.388 -26.332 1.00 34.00 C ATOM 410 C VAL A 26 -0.381 -19.561 -26.372 1.00 34.00 C ATOM 411 O VAL A 26 -0.851 -19.951 -27.425 1.00 2.00 O ATOM 412 CB VAL A 26 -0.279 -17.074 -26.414 1.00 73.00 C ATOM 413 CG1 VAL A 26 0.596 -15.857 -26.191 1.00 65.00 C ATOM 414 CG2 VAL A 26 -1.003 -16.947 -27.745 1.00 32.00 C ATOM 0 H VAL A 26 1.083 -18.624 -28.321 1.00 32.00 H new ATOM 0 HA VAL A 26 1.115 -18.368 -25.397 1.00 34.00 H new ATOM 0 HB VAL A 26 -1.025 -17.125 -25.621 1.00 73.00 H new ATOM 0 HG11 VAL A 26 -0.013 -14.955 -26.254 1.00 65.00 H new ATOM 0 HG12 VAL A 26 1.057 -15.916 -25.205 1.00 65.00 H new ATOM 0 HG13 VAL A 26 1.374 -15.824 -26.954 1.00 65.00 H new ATOM 0 HG21 VAL A 26 -1.572 -16.018 -27.762 1.00 32.00 H new ATOM 0 HG22 VAL A 26 -0.275 -16.942 -28.556 1.00 32.00 H new ATOM 0 HG23 VAL A 26 -1.681 -17.791 -27.872 1.00 32.00 H new ATOM 424 N SER A 27 -0.583 -20.164 -25.264 1.00 41.00 N ATOM 425 CA SER A 27 -1.562 -21.192 -25.159 1.00 20.00 C ATOM 426 C SER A 27 -2.608 -20.691 -24.228 1.00 2.00 C ATOM 427 O SER A 27 -2.314 -20.391 -23.087 1.00 54.00 O ATOM 428 CB SER A 27 -0.954 -22.467 -24.621 1.00 72.00 C ATOM 429 OG SER A 27 0.240 -22.772 -25.322 1.00 70.00 O ATOM 0 H SER A 27 -0.079 -19.965 -24.400 1.00 41.00 H new ATOM 0 HA SER A 27 -1.979 -21.425 -26.139 1.00 20.00 H new ATOM 0 HB2 SER A 27 -0.742 -22.357 -23.557 1.00 72.00 H new ATOM 0 HB3 SER A 27 -1.664 -23.288 -24.722 1.00 72.00 H new ATOM 0 HG SER A 27 0.627 -23.599 -24.965 1.00 70.00 H new ATOM 435 N PHE A 28 -3.781 -20.541 -24.700 1.00 23.00 N ATOM 436 CA PHE A 28 -4.816 -20.029 -23.881 1.00 14.00 C ATOM 437 C PHE A 28 -6.079 -20.778 -24.054 1.00 42.00 C ATOM 438 O PHE A 28 -6.261 -21.521 -25.019 1.00 10.00 O ATOM 439 CB PHE A 28 -5.026 -18.517 -24.053 1.00 63.00 C ATOM 440 CG PHE A 28 -5.394 -18.034 -25.432 1.00 64.00 C ATOM 441 CD1 PHE A 28 -6.709 -18.067 -25.872 1.00 3.00 C ATOM 442 CD2 PHE A 28 -4.431 -17.506 -26.266 1.00 5.00 C ATOM 443 CE1 PHE A 28 -7.048 -17.591 -27.116 1.00 31.00 C ATOM 444 CE2 PHE A 28 -4.765 -17.023 -27.508 1.00 22.00 C ATOM 445 CZ PHE A 28 -6.076 -17.066 -27.935 1.00 71.00 C ATOM 0 H PHE A 28 -4.056 -20.766 -25.656 1.00 23.00 H new ATOM 0 HA PHE A 28 -4.485 -20.177 -22.853 1.00 14.00 H new ATOM 0 HB2 PHE A 28 -5.809 -18.202 -23.363 1.00 63.00 H new ATOM 0 HB3 PHE A 28 -4.110 -18.010 -23.749 1.00 63.00 H new ATOM 0 HD1 PHE A 28 -7.476 -18.472 -25.229 1.00 3.00 H new ATOM 0 HD2 PHE A 28 -3.402 -17.472 -25.939 1.00 5.00 H new ATOM 0 HE1 PHE A 28 -8.075 -17.629 -27.449 1.00 31.00 H new ATOM 0 HE2 PHE A 28 -4.001 -16.610 -28.150 1.00 22.00 H new ATOM 0 HZ PHE A 28 -6.339 -16.688 -28.912 1.00 71.00 H new ATOM 455 N VAL A 29 -6.925 -20.592 -23.125 1.00 14.00 N ATOM 456 CA VAL A 29 -8.175 -21.212 -23.093 1.00 54.00 C ATOM 457 C VAL A 29 -9.182 -20.329 -23.785 1.00 54.00 C ATOM 458 O VAL A 29 -9.481 -19.227 -23.352 1.00 14.00 O ATOM 459 CB VAL A 29 -8.595 -21.609 -21.634 1.00 42.00 C ATOM 460 CG1 VAL A 29 -8.530 -20.439 -20.668 1.00 42.00 C ATOM 461 CG2 VAL A 29 -9.960 -22.277 -21.603 1.00 43.00 C ATOM 0 H VAL A 29 -6.754 -19.975 -22.331 1.00 14.00 H new ATOM 0 HA VAL A 29 -8.126 -22.155 -23.637 1.00 54.00 H new ATOM 0 HB VAL A 29 -7.861 -22.339 -21.293 1.00 42.00 H new ATOM 0 HG11 VAL A 29 -8.831 -20.771 -19.674 1.00 42.00 H new ATOM 0 HG12 VAL A 29 -7.511 -20.055 -20.629 1.00 42.00 H new ATOM 0 HG13 VAL A 29 -9.202 -19.650 -21.006 1.00 42.00 H new ATOM 0 HG21 VAL A 29 -10.215 -22.537 -20.575 1.00 43.00 H new ATOM 0 HG22 VAL A 29 -10.709 -21.592 -22.001 1.00 43.00 H new ATOM 0 HG23 VAL A 29 -9.936 -23.182 -22.211 1.00 43.00 H new ATOM 471 N TYR A 30 -9.608 -20.801 -24.916 1.00 1.00 N ATOM 472 CA TYR A 30 -10.611 -20.125 -25.729 1.00 21.00 C ATOM 473 C TYR A 30 -11.918 -20.036 -25.017 1.00 32.00 C ATOM 474 O TYR A 30 -12.608 -19.018 -25.071 1.00 64.00 O ATOM 475 CB TYR A 30 -10.788 -20.855 -27.042 1.00 3.00 C ATOM 476 CG TYR A 30 -9.804 -20.423 -28.062 1.00 62.00 C ATOM 477 CD1 TYR A 30 -8.504 -20.895 -28.084 1.00 73.00 C ATOM 478 CD2 TYR A 30 -10.178 -19.513 -28.996 1.00 3.00 C ATOM 479 CE1 TYR A 30 -7.615 -20.444 -29.040 1.00 61.00 C ATOM 480 CE2 TYR A 30 -9.316 -19.068 -29.936 1.00 32.00 C ATOM 481 CZ TYR A 30 -8.037 -19.527 -29.966 1.00 42.00 C ATOM 482 OH TYR A 30 -7.177 -19.065 -30.930 1.00 4.00 O ATOM 0 H TYR A 30 -9.274 -21.677 -25.319 1.00 1.00 H new ATOM 0 HA TYR A 30 -10.262 -19.110 -25.921 1.00 21.00 H new ATOM 0 HB2 TYR A 30 -10.688 -21.928 -26.875 1.00 3.00 H new ATOM 0 HB3 TYR A 30 -11.797 -20.683 -27.418 1.00 3.00 H new ATOM 0 HD1 TYR A 30 -8.183 -21.619 -27.350 1.00 73.00 H new ATOM 0 HD2 TYR A 30 -11.190 -19.135 -28.988 1.00 3.00 H new ATOM 0 HE1 TYR A 30 -6.599 -20.810 -29.057 1.00 61.00 H new ATOM 0 HE2 TYR A 30 -9.645 -18.344 -30.667 1.00 32.00 H new ATOM 0 HH TYR A 30 -7.344 -19.539 -31.772 1.00 4.00 H new ATOM 492 N ASP A 31 -12.236 -21.100 -24.346 1.00 33.00 N ATOM 493 CA ASP A 31 -13.458 -21.213 -23.604 1.00 61.00 C ATOM 494 C ASP A 31 -13.469 -22.507 -22.864 1.00 50.00 C ATOM 495 O ASP A 31 -13.640 -22.540 -21.654 1.00 65.00 O ATOM 496 CB ASP A 31 -14.701 -21.139 -24.508 1.00 31.00 C ATOM 497 CG ASP A 31 -15.984 -21.343 -23.733 1.00 12.00 C ATOM 498 OD1 ASP A 31 -16.519 -20.373 -23.176 1.00 65.00 O ATOM 499 OD2 ASP A 31 -16.475 -22.468 -23.670 1.00 73.00 O ATOM 0 H ASP A 31 -11.645 -21.930 -24.297 1.00 33.00 H new ATOM 0 HA ASP A 31 -13.500 -20.371 -22.913 1.00 61.00 H new ATOM 0 HB2 ASP A 31 -14.729 -20.170 -25.005 1.00 31.00 H new ATOM 0 HB3 ASP A 31 -14.626 -21.896 -25.289 1.00 31.00 H new ATOM 504 N ASN A 32 -13.251 -23.578 -23.591 1.00 40.00 N ATOM 505 CA ASN A 32 -13.331 -24.890 -22.996 1.00 43.00 C ATOM 506 C ASN A 32 -12.126 -25.740 -23.328 1.00 11.00 C ATOM 507 O ASN A 32 -12.115 -26.929 -23.044 1.00 23.00 O ATOM 508 CB ASN A 32 -14.622 -25.599 -23.450 1.00 30.00 C ATOM 509 CG ASN A 32 -14.618 -26.025 -24.920 1.00 33.00 C ATOM 510 OD1 ASN A 32 -14.961 -25.245 -25.823 1.00 40.00 O ATOM 511 ND2 ASN A 32 -14.265 -27.262 -25.171 1.00 14.00 N ATOM 0 H ASN A 32 -13.019 -23.567 -24.584 1.00 40.00 H new ATOM 0 HA ASN A 32 -13.349 -24.758 -21.914 1.00 43.00 H new ATOM 0 HB2 ASN A 32 -14.777 -26.480 -22.828 1.00 30.00 H new ATOM 0 HB3 ASN A 32 -15.468 -24.934 -23.278 1.00 30.00 H new ATOM 0 HD21 ASN A 32 -14.267 -27.608 -26.130 1.00 14.00 H new ATOM 0 HD22 ASN A 32 -13.988 -27.878 -24.407 1.00 14.00 H new ATOM 518 N GLN A 33 -11.100 -25.152 -23.903 1.00 61.00 N ATOM 519 CA GLN A 33 -9.955 -25.898 -24.267 1.00 13.00 C ATOM 520 C GLN A 33 -8.828 -24.950 -24.352 1.00 70.00 C ATOM 521 O GLN A 33 -9.038 -23.741 -24.587 1.00 11.00 O ATOM 522 CB GLN A 33 -10.154 -26.603 -25.614 1.00 55.00 C ATOM 523 CG GLN A 33 -10.237 -25.646 -26.774 1.00 35.00 C ATOM 524 CD GLN A 33 -10.522 -26.320 -28.083 1.00 22.00 C ATOM 525 OE1 GLN A 33 -11.678 -26.484 -28.464 1.00 33.00 O ATOM 526 NE2 GLN A 33 -9.493 -26.710 -28.780 1.00 51.00 N ATOM 0 H GLN A 33 -11.052 -24.157 -24.121 1.00 61.00 H new ATOM 0 HA GLN A 33 -9.763 -26.674 -23.526 1.00 13.00 H new ATOM 0 HB2 GLN A 33 -9.329 -27.296 -25.780 1.00 55.00 H new ATOM 0 HB3 GLN A 33 -11.067 -27.198 -25.575 1.00 55.00 H new ATOM 0 HG2 GLN A 33 -11.017 -24.912 -26.574 1.00 35.00 H new ATOM 0 HG3 GLN A 33 -9.297 -25.099 -26.852 1.00 35.00 H new ATOM 0 HE21 GLN A 33 -8.549 -26.554 -28.427 1.00 51.00 H new ATOM 0 HE22 GLN A 33 -9.631 -27.171 -29.679 1.00 51.00 H new ATOM 535 N LEU A 34 -7.683 -25.454 -24.139 1.00 3.00 N ATOM 536 CA LEU A 34 -6.495 -24.692 -24.233 1.00 34.00 C ATOM 537 C LEU A 34 -5.942 -24.926 -25.618 1.00 1.00 C ATOM 538 O LEU A 34 -5.898 -26.074 -26.076 1.00 2.00 O ATOM 539 CB LEU A 34 -5.463 -25.113 -23.168 1.00 2.00 C ATOM 540 CG LEU A 34 -5.635 -24.639 -21.694 1.00 31.00 C ATOM 541 CD1 LEU A 34 -5.417 -23.153 -21.560 1.00 20.00 C ATOM 542 CD2 LEU A 34 -6.977 -25.051 -21.098 1.00 2.00 C ATOM 0 H LEU A 34 -7.533 -26.431 -23.888 1.00 3.00 H new ATOM 0 HA LEU A 34 -6.709 -23.638 -24.058 1.00 34.00 H new ATOM 0 HB2 LEU A 34 -5.432 -26.203 -23.158 1.00 2.00 H new ATOM 0 HB3 LEU A 34 -4.486 -24.770 -23.508 1.00 2.00 H new ATOM 0 HG LEU A 34 -4.862 -25.147 -21.117 1.00 31.00 H new ATOM 0 HD11 LEU A 34 -5.545 -22.859 -20.518 1.00 20.00 H new ATOM 0 HD12 LEU A 34 -4.408 -22.902 -21.886 1.00 20.00 H new ATOM 0 HD13 LEU A 34 -6.140 -22.622 -22.179 1.00 20.00 H new ATOM 0 HD21 LEU A 34 -7.043 -24.695 -20.070 1.00 2.00 H new ATOM 0 HD22 LEU A 34 -7.785 -24.615 -21.686 1.00 2.00 H new ATOM 0 HD23 LEU A 34 -7.063 -26.138 -21.112 1.00 2.00 H new ATOM 554 N LEU A 35 -5.589 -23.883 -26.288 1.00 13.00 N ATOM 555 CA LEU A 35 -5.107 -23.971 -27.623 1.00 42.00 C ATOM 556 C LEU A 35 -3.950 -22.981 -27.786 1.00 60.00 C ATOM 557 O LEU A 35 -3.928 -21.939 -27.115 1.00 43.00 O ATOM 558 CB LEU A 35 -6.286 -23.648 -28.507 1.00 44.00 C ATOM 559 CG LEU A 35 -6.163 -23.799 -29.999 1.00 32.00 C ATOM 560 CD1 LEU A 35 -5.720 -25.207 -30.359 1.00 22.00 C ATOM 561 CD2 LEU A 35 -7.518 -23.509 -30.613 1.00 71.00 C ATOM 0 H LEU A 35 -5.628 -22.933 -25.919 1.00 13.00 H new ATOM 0 HA LEU A 35 -4.718 -24.955 -27.886 1.00 42.00 H new ATOM 0 HB2 LEU A 35 -7.117 -24.275 -28.184 1.00 44.00 H new ATOM 0 HB3 LEU A 35 -6.570 -22.615 -28.307 1.00 44.00 H new ATOM 0 HG LEU A 35 -5.415 -23.105 -30.381 1.00 32.00 H new ATOM 0 HD11 LEU A 35 -5.637 -25.296 -31.442 1.00 22.00 H new ATOM 0 HD12 LEU A 35 -4.752 -25.412 -29.903 1.00 22.00 H new ATOM 0 HD13 LEU A 35 -6.453 -25.924 -29.991 1.00 22.00 H new ATOM 0 HD21 LEU A 35 -7.456 -23.612 -31.696 1.00 71.00 H new ATOM 0 HD22 LEU A 35 -8.252 -24.214 -30.223 1.00 71.00 H new ATOM 0 HD23 LEU A 35 -7.821 -22.493 -30.362 1.00 71.00 H new ATOM 573 N HIS A 36 -3.006 -23.300 -28.642 1.00 63.00 N ATOM 574 CA HIS A 36 -1.794 -22.506 -28.779 1.00 22.00 C ATOM 575 C HIS A 36 -1.670 -21.812 -30.122 1.00 45.00 C ATOM 576 O HIS A 36 -1.958 -22.378 -31.169 1.00 32.00 O ATOM 577 CB HIS A 36 -0.509 -23.289 -28.396 1.00 54.00 C ATOM 578 CG HIS A 36 -0.227 -24.548 -29.172 1.00 52.00 C ATOM 579 ND1 HIS A 36 -0.670 -25.773 -28.733 1.00 11.00 N ATOM 580 CD2 HIS A 36 0.496 -24.718 -30.301 1.00 53.00 C ATOM 581 CE1 HIS A 36 -0.203 -26.658 -29.606 1.00 3.00 C ATOM 582 NE2 HIS A 36 0.508 -26.065 -30.568 1.00 62.00 N ATOM 0 H HIS A 36 -3.050 -24.110 -29.261 1.00 63.00 H new ATOM 0 HA HIS A 36 -1.897 -21.707 -28.045 1.00 22.00 H new ATOM 0 HB2 HIS A 36 0.344 -22.620 -28.511 1.00 54.00 H new ATOM 0 HB3 HIS A 36 -0.571 -23.548 -27.339 1.00 54.00 H new ATOM 0 HD2 HIS A 36 0.973 -23.943 -30.882 1.00 53.00 H new ATOM 0 HE1 HIS A 36 -0.376 -27.722 -29.546 1.00 3.00 H new ATOM 0 HE2 HIS A 36 0.972 -26.525 -31.352 1.00 62.00 H new ATOM 590 N LEU A 37 -1.272 -20.569 -30.042 1.00 14.00 N ATOM 591 CA LEU A 37 -1.123 -19.650 -31.171 1.00 74.00 C ATOM 592 C LEU A 37 0.258 -19.096 -31.148 1.00 50.00 C ATOM 593 O LEU A 37 0.872 -19.034 -30.085 1.00 74.00 O ATOM 594 CB LEU A 37 -2.095 -18.455 -31.062 1.00 54.00 C ATOM 595 CG LEU A 37 -3.617 -18.749 -31.109 1.00 2.00 C ATOM 596 CD1 LEU A 37 -4.087 -19.533 -29.893 1.00 14.00 C ATOM 597 CD2 LEU A 37 -4.397 -17.471 -31.207 1.00 21.00 C ATOM 0 H LEU A 37 -1.028 -20.137 -29.151 1.00 14.00 H new ATOM 0 HA LEU A 37 -1.333 -20.203 -32.086 1.00 74.00 H new ATOM 0 HB2 LEU A 37 -1.884 -17.937 -30.127 1.00 54.00 H new ATOM 0 HB3 LEU A 37 -1.864 -17.761 -31.870 1.00 54.00 H new ATOM 0 HG LEU A 37 -3.794 -19.359 -31.995 1.00 2.00 H new ATOM 0 HD11 LEU A 37 -5.159 -19.715 -29.970 1.00 14.00 H new ATOM 0 HD12 LEU A 37 -3.559 -20.486 -29.848 1.00 14.00 H new ATOM 0 HD13 LEU A 37 -3.880 -18.960 -28.989 1.00 14.00 H new ATOM 0 HD21 LEU A 37 -5.463 -17.697 -31.239 1.00 21.00 H new ATOM 0 HD22 LEU A 37 -4.184 -16.847 -30.339 1.00 21.00 H new ATOM 0 HD23 LEU A 37 -4.111 -16.939 -32.115 1.00 21.00 H new ATOM 609 N LYS A 38 0.742 -18.649 -32.273 1.00 35.00 N ATOM 610 CA LYS A 38 2.068 -18.130 -32.316 1.00 73.00 C ATOM 611 C LYS A 38 2.112 -16.774 -32.959 1.00 43.00 C ATOM 612 O LYS A 38 1.250 -16.430 -33.774 1.00 10.00 O ATOM 613 CB LYS A 38 2.979 -19.055 -33.083 1.00 11.00 C ATOM 614 CG LYS A 38 2.738 -19.105 -34.582 1.00 24.00 C ATOM 615 CD LYS A 38 3.871 -19.821 -35.263 1.00 3.00 C ATOM 616 CE LYS A 38 3.688 -19.865 -36.770 1.00 14.00 C ATOM 617 NZ LYS A 38 4.816 -20.552 -37.431 1.00 13.00 N ATOM 0 H LYS A 38 0.240 -18.636 -33.161 1.00 35.00 H new ATOM 0 HA LYS A 38 2.407 -18.045 -31.283 1.00 73.00 H new ATOM 0 HB2 LYS A 38 4.011 -18.751 -32.907 1.00 11.00 H new ATOM 0 HB3 LYS A 38 2.871 -20.062 -32.680 1.00 11.00 H new ATOM 0 HG2 LYS A 38 1.797 -19.615 -34.790 1.00 24.00 H new ATOM 0 HG3 LYS A 38 2.646 -18.093 -34.978 1.00 24.00 H new ATOM 0 HD2 LYS A 38 4.811 -19.322 -35.026 1.00 3.00 H new ATOM 0 HD3 LYS A 38 3.943 -20.837 -34.876 1.00 3.00 H new ATOM 0 HE2 LYS A 38 2.757 -20.378 -37.010 1.00 14.00 H new ATOM 0 HE3 LYS A 38 3.601 -18.850 -37.157 1.00 14.00 H new ATOM 0 HZ1 LYS A 38 4.660 -20.565 -38.459 1.00 13.00 H new ATOM 0 HZ2 LYS A 38 5.701 -20.047 -37.221 1.00 13.00 H new ATOM 0 HZ3 LYS A 38 4.882 -21.528 -37.079 1.00 13.00 H new ATOM 631 N GLN A 39 3.101 -16.022 -32.597 1.00 43.00 N ATOM 632 CA GLN A 39 3.355 -14.757 -33.214 1.00 70.00 C ATOM 633 C GLN A 39 4.213 -15.019 -34.415 1.00 35.00 C ATOM 634 O GLN A 39 5.341 -15.501 -34.298 1.00 74.00 O ATOM 635 CB GLN A 39 4.056 -13.807 -32.259 1.00 4.00 C ATOM 636 CG GLN A 39 4.353 -12.435 -32.855 1.00 42.00 C ATOM 637 CD GLN A 39 4.973 -11.480 -31.857 1.00 50.00 C ATOM 638 OE1 GLN A 39 4.711 -11.550 -30.664 1.00 53.00 O ATOM 639 NE2 GLN A 39 5.809 -10.600 -32.327 1.00 63.00 N ATOM 0 H GLN A 39 3.761 -16.269 -31.860 1.00 43.00 H new ATOM 0 HA GLN A 39 2.416 -14.282 -33.498 1.00 70.00 H new ATOM 0 HB2 GLN A 39 3.438 -13.680 -31.370 1.00 4.00 H new ATOM 0 HB3 GLN A 39 4.992 -14.261 -31.933 1.00 4.00 H new ATOM 0 HG2 GLN A 39 5.026 -12.552 -33.705 1.00 42.00 H new ATOM 0 HG3 GLN A 39 3.428 -12.003 -33.237 1.00 42.00 H new ATOM 0 HE21 GLN A 39 6.006 -10.567 -33.327 1.00 63.00 H new ATOM 0 HE22 GLN A 39 6.267 -9.943 -31.695 1.00 63.00 H new ATOM 648 N GLY A 40 3.659 -14.779 -35.539 1.00 30.00 N ATOM 649 CA GLY A 40 4.349 -15.017 -36.778 1.00 5.00 C ATOM 650 C GLY A 40 3.755 -14.195 -37.862 1.00 25.00 C ATOM 651 O GLY A 40 4.463 -13.624 -38.693 1.00 65.00 O ATOM 0 H GLY A 40 2.713 -14.411 -35.644 1.00 30.00 H new ATOM 0 HA2 GLY A 40 5.406 -14.775 -36.666 1.00 5.00 H new ATOM 0 HA3 GLY A 40 4.289 -16.074 -37.039 1.00 5.00 H new ATOM 655 N ILE A 41 2.456 -14.148 -37.872 1.00 3.00 N ATOM 656 CA ILE A 41 1.736 -13.336 -38.771 1.00 31.00 C ATOM 657 C ILE A 41 1.202 -12.138 -37.997 1.00 51.00 C ATOM 658 O ILE A 41 0.433 -12.298 -37.057 1.00 60.00 O ATOM 659 CB ILE A 41 0.585 -14.141 -39.469 1.00 71.00 C ATOM 660 CG1 ILE A 41 -0.288 -13.222 -40.308 1.00 25.00 C ATOM 661 CG2 ILE A 41 -0.259 -14.947 -38.474 1.00 11.00 C ATOM 662 CD1 ILE A 41 0.462 -12.513 -41.413 1.00 41.00 C ATOM 0 H ILE A 41 1.868 -14.689 -37.238 1.00 3.00 H new ATOM 0 HA ILE A 41 2.391 -12.990 -39.571 1.00 31.00 H new ATOM 0 HB ILE A 41 1.062 -14.864 -40.131 1.00 71.00 H new ATOM 0 HG12 ILE A 41 -1.098 -13.805 -40.747 1.00 25.00 H new ATOM 0 HG13 ILE A 41 -0.747 -12.478 -39.657 1.00 25.00 H new ATOM 0 HG21 ILE A 41 -1.040 -15.484 -39.011 1.00 11.00 H new ATOM 0 HG22 ILE A 41 0.378 -15.660 -37.951 1.00 11.00 H new ATOM 0 HG23 ILE A 41 -0.715 -14.270 -37.752 1.00 11.00 H new ATOM 0 HD11 ILE A 41 -0.226 -11.876 -41.969 1.00 41.00 H new ATOM 0 HD12 ILE A 41 1.254 -11.902 -40.981 1.00 41.00 H new ATOM 0 HD13 ILE A 41 0.899 -13.250 -42.087 1.00 41.00 H new ATOM 674 N SER A 42 1.662 -10.965 -38.346 1.00 24.00 N ATOM 675 CA SER A 42 1.263 -9.768 -37.671 1.00 33.00 C ATOM 676 C SER A 42 1.558 -8.582 -38.575 1.00 2.00 C ATOM 677 O SER A 42 2.211 -8.742 -39.610 1.00 42.00 O ATOM 678 CB SER A 42 2.038 -9.646 -36.334 1.00 4.00 C ATOM 679 OG SER A 42 1.568 -8.566 -35.532 1.00 62.00 O ATOM 0 H SER A 42 2.324 -10.818 -39.108 1.00 24.00 H new ATOM 0 HA SER A 42 0.196 -9.793 -37.447 1.00 33.00 H new ATOM 0 HB2 SER A 42 1.944 -10.578 -35.776 1.00 4.00 H new ATOM 0 HB3 SER A 42 3.098 -9.505 -36.543 1.00 4.00 H new ATOM 0 HG SER A 42 2.305 -8.218 -34.988 1.00 62.00 H new ATOM 685 N ALA A 43 1.081 -7.427 -38.181 1.00 51.00 N ATOM 686 CA ALA A 43 1.286 -6.189 -38.860 1.00 53.00 C ATOM 687 C ALA A 43 0.957 -5.084 -37.893 1.00 54.00 C ATOM 688 O ALA A 43 1.720 -4.147 -37.700 1.00 65.00 O ATOM 689 CB ALA A 43 0.463 -6.075 -40.139 1.00 44.00 C ATOM 0 H ALA A 43 0.514 -7.329 -37.339 1.00 51.00 H new ATOM 0 HA ALA A 43 2.325 -6.121 -39.182 1.00 53.00 H new ATOM 0 HB1 ALA A 43 0.659 -5.113 -40.613 1.00 44.00 H new ATOM 0 HB2 ALA A 43 0.738 -6.879 -40.822 1.00 44.00 H new ATOM 0 HB3 ALA A 43 -0.597 -6.151 -39.897 1.00 44.00 H new ATOM 695 N SER A 44 -0.174 -5.212 -37.269 1.00 33.00 N ATOM 696 CA SER A 44 -0.571 -4.294 -36.253 1.00 44.00 C ATOM 697 C SER A 44 -0.492 -5.007 -34.912 1.00 23.00 C ATOM 698 O SER A 44 -0.900 -6.162 -34.814 1.00 52.00 O ATOM 699 CB SER A 44 -1.993 -3.827 -36.538 1.00 42.00 C ATOM 700 OG SER A 44 -2.085 -3.334 -37.871 1.00 50.00 O ATOM 0 H SER A 44 -0.846 -5.957 -37.452 1.00 33.00 H new ATOM 0 HA SER A 44 0.082 -3.421 -36.234 1.00 44.00 H new ATOM 0 HB2 SER A 44 -2.691 -4.653 -36.398 1.00 42.00 H new ATOM 0 HB3 SER A 44 -2.277 -3.046 -35.832 1.00 42.00 H new ATOM 0 HG SER A 44 -3.002 -3.037 -38.047 1.00 50.00 H new ATOM 706 N GLY A 45 0.048 -4.346 -33.904 1.00 73.00 N ATOM 707 CA GLY A 45 0.167 -4.942 -32.584 1.00 52.00 C ATOM 708 C GLY A 45 1.135 -6.100 -32.588 1.00 73.00 C ATOM 709 O GLY A 45 2.265 -5.980 -33.069 1.00 4.00 O ATOM 0 H GLY A 45 0.412 -3.396 -33.974 1.00 73.00 H new ATOM 0 HA2 GLY A 45 0.502 -4.188 -31.872 1.00 52.00 H new ATOM 0 HA3 GLY A 45 -0.812 -5.285 -32.248 1.00 52.00 H new ATOM 713 N ALA A 46 0.674 -7.209 -32.106 1.00 71.00 N ATOM 714 CA ALA A 46 1.393 -8.414 -32.057 1.00 72.00 C ATOM 715 C ALA A 46 0.342 -9.429 -32.203 1.00 61.00 C ATOM 716 O ALA A 46 -0.698 -9.339 -31.522 1.00 24.00 O ATOM 717 CB ALA A 46 2.097 -8.574 -30.723 1.00 61.00 C ATOM 0 H ALA A 46 -0.266 -7.289 -31.718 1.00 71.00 H new ATOM 0 HA ALA A 46 2.172 -8.477 -32.817 1.00 72.00 H new ATOM 0 HB1 ALA A 46 2.646 -9.515 -30.712 1.00 61.00 H new ATOM 0 HB2 ALA A 46 2.792 -7.747 -30.577 1.00 61.00 H new ATOM 0 HB3 ALA A 46 1.360 -8.575 -29.920 1.00 61.00 H new ATOM 723 N ARG A 47 0.508 -10.333 -33.080 1.00 4.00 N ATOM 724 CA ARG A 47 -0.527 -11.236 -33.297 1.00 34.00 C ATOM 725 C ARG A 47 -0.088 -12.635 -33.088 1.00 54.00 C ATOM 726 O ARG A 47 0.891 -13.085 -33.677 1.00 12.00 O ATOM 727 CB ARG A 47 -1.129 -11.116 -34.676 1.00 44.00 C ATOM 728 CG ARG A 47 -2.021 -9.926 -34.912 1.00 40.00 C ATOM 729 CD ARG A 47 -2.577 -9.990 -36.313 1.00 20.00 C ATOM 730 NE ARG A 47 -3.160 -11.316 -36.588 1.00 63.00 N ATOM 731 CZ ARG A 47 -3.384 -11.824 -37.805 1.00 13.00 C ATOM 732 NH1 ARG A 47 -3.138 -11.097 -38.888 1.00 2.00 N ATOM 733 NH2 ARG A 47 -3.841 -13.070 -37.929 1.00 43.00 N ATOM 0 H ARG A 47 1.343 -10.463 -33.651 1.00 4.00 H new ATOM 0 HA ARG A 47 -1.291 -10.979 -32.563 1.00 34.00 H new ATOM 0 HB2 ARG A 47 -0.317 -11.085 -35.402 1.00 44.00 H new ATOM 0 HB3 ARG A 47 -1.703 -12.020 -34.879 1.00 44.00 H new ATOM 0 HG2 ARG A 47 -2.834 -9.917 -34.186 1.00 40.00 H new ATOM 0 HG3 ARG A 47 -1.459 -9.002 -34.773 1.00 40.00 H new ATOM 0 HD2 ARG A 47 -3.338 -9.220 -36.442 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -1.786 -9.780 -37.033 1.00 20.00 H new ATOM 0 HE ARG A 47 -3.413 -11.893 -35.785 1.00 63.00 H new ATOM 0 HH11 ARG A 47 -2.777 -10.148 -38.794 1.00 2.00 H new ATOM 0 HH12 ARG A 47 -3.310 -11.488 -39.814 1.00 2.00 H new ATOM 0 HH21 ARG A 47 -4.019 -13.633 -37.097 1.00 43.00 H new ATOM 0 HH22 ARG A 47 -4.013 -13.460 -38.856 1.00 43.00 H new ATOM 747 N TYR A 48 -0.797 -13.306 -32.265 1.00 1.00 N ATOM 748 CA TYR A 48 -0.624 -14.682 -32.067 1.00 43.00 C ATOM 749 C TYR A 48 -1.772 -15.323 -32.753 1.00 60.00 C ATOM 750 O TYR A 48 -2.911 -14.986 -32.511 1.00 72.00 O ATOM 751 CB TYR A 48 -0.604 -15.029 -30.586 1.00 3.00 C ATOM 752 CG TYR A 48 0.565 -14.440 -29.801 1.00 62.00 C ATOM 753 CD1 TYR A 48 0.494 -13.168 -29.244 1.00 42.00 C ATOM 754 CD2 TYR A 48 1.723 -15.177 -29.592 1.00 34.00 C ATOM 755 CE1 TYR A 48 1.537 -12.650 -28.505 1.00 43.00 C ATOM 756 CE2 TYR A 48 2.775 -14.662 -28.857 1.00 71.00 C ATOM 757 CZ TYR A 48 2.674 -13.399 -28.315 1.00 12.00 C ATOM 758 OH TYR A 48 3.710 -12.888 -27.562 1.00 22.00 O ATOM 0 H TYR A 48 -1.536 -12.895 -31.695 1.00 1.00 H new ATOM 0 HA TYR A 48 0.329 -15.029 -32.465 1.00 43.00 H new ATOM 0 HB2 TYR A 48 -1.535 -14.685 -30.135 1.00 3.00 H new ATOM 0 HB3 TYR A 48 -0.582 -16.114 -30.483 1.00 3.00 H new ATOM 0 HD1 TYR A 48 -0.395 -12.574 -29.393 1.00 42.00 H new ATOM 0 HD2 TYR A 48 1.803 -16.169 -30.011 1.00 34.00 H new ATOM 0 HE1 TYR A 48 1.461 -11.661 -28.078 1.00 43.00 H new ATOM 0 HE2 TYR A 48 3.671 -15.246 -28.709 1.00 71.00 H new ATOM 0 HH TYR A 48 4.439 -13.541 -27.523 1.00 22.00 H new ATOM 768 N THR A 49 -1.497 -16.138 -33.678 1.00 50.00 N ATOM 769 CA THR A 49 -2.518 -16.802 -34.403 1.00 32.00 C ATOM 770 C THR A 49 -1.971 -18.115 -34.847 1.00 41.00 C ATOM 771 O THR A 49 -0.845 -18.183 -35.331 1.00 55.00 O ATOM 772 CB THR A 49 -2.976 -15.983 -35.645 1.00 12.00 C ATOM 773 OG1 THR A 49 -3.408 -14.656 -35.257 1.00 22.00 O ATOM 774 CG2 THR A 49 -4.107 -16.680 -36.396 1.00 11.00 C ATOM 0 H THR A 49 -0.548 -16.376 -33.968 1.00 50.00 H new ATOM 0 HA THR A 49 -3.390 -16.927 -33.761 1.00 32.00 H new ATOM 0 HB THR A 49 -2.114 -15.906 -36.308 1.00 12.00 H new ATOM 0 HG1 THR A 49 -2.758 -13.995 -35.575 1.00 22.00 H new ATOM 0 HG21 THR A 49 -4.398 -16.077 -37.256 1.00 11.00 H new ATOM 0 HG22 THR A 49 -3.769 -17.659 -36.737 1.00 11.00 H new ATOM 0 HG23 THR A 49 -4.963 -16.803 -35.732 1.00 11.00 H new ATOM 782 N ASP A 50 -2.689 -19.162 -34.600 1.00 61.00 N ATOM 783 CA ASP A 50 -2.261 -20.422 -35.119 1.00 44.00 C ATOM 784 C ASP A 50 -2.814 -20.546 -36.510 1.00 41.00 C ATOM 785 O ASP A 50 -2.086 -20.488 -37.497 1.00 74.00 O ATOM 786 CB ASP A 50 -2.711 -21.601 -34.255 1.00 1.00 C ATOM 787 CG ASP A 50 -2.298 -22.940 -34.843 1.00 14.00 C ATOM 788 OD1 ASP A 50 -3.049 -23.513 -35.630 1.00 25.00 O ATOM 789 OD2 ASP A 50 -1.206 -23.441 -34.512 1.00 52.00 O ATOM 0 H ASP A 50 -3.552 -19.174 -34.057 1.00 61.00 H new ATOM 0 HA ASP A 50 -1.171 -20.454 -35.121 1.00 44.00 H new ATOM 0 HB2 ASP A 50 -2.286 -21.499 -33.256 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -3.795 -21.574 -34.145 1.00 1.00 H new ATOM 794 N GLY A 51 -4.102 -20.676 -36.556 1.00 15.00 N ATOM 795 CA GLY A 51 -4.834 -20.726 -37.776 1.00 61.00 C ATOM 796 C GLY A 51 -6.224 -21.169 -37.473 1.00 73.00 C ATOM 797 O GLY A 51 -6.826 -21.917 -38.223 1.00 24.00 O ATOM 0 H GLY A 51 -4.686 -20.752 -35.723 1.00 15.00 H new ATOM 0 HA2 GLY A 51 -4.844 -19.746 -38.253 1.00 61.00 H new ATOM 0 HA3 GLY A 51 -4.360 -21.416 -38.475 1.00 61.00 H new ATOM 801 N ILE A 52 -6.723 -20.713 -36.330 1.00 63.00 N ATOM 802 CA ILE A 52 -8.034 -21.107 -35.840 1.00 70.00 C ATOM 803 C ILE A 52 -8.817 -19.818 -35.568 1.00 42.00 C ATOM 804 O ILE A 52 -9.825 -19.570 -36.161 1.00 54.00 O ATOM 805 CB ILE A 52 -7.934 -21.964 -34.518 1.00 2.00 C ATOM 806 CG1 ILE A 52 -6.890 -23.109 -34.656 1.00 54.00 C ATOM 807 CG2 ILE A 52 -9.297 -22.562 -34.173 1.00 42.00 C ATOM 808 CD1 ILE A 52 -7.195 -24.139 -35.734 1.00 52.00 C ATOM 0 H ILE A 52 -6.230 -20.061 -35.720 1.00 63.00 H new ATOM 0 HA ILE A 52 -8.532 -21.731 -36.583 1.00 70.00 H new ATOM 0 HB ILE A 52 -7.610 -21.297 -33.719 1.00 2.00 H new ATOM 0 HG12 ILE A 52 -5.916 -22.667 -34.864 1.00 54.00 H new ATOM 0 HG13 ILE A 52 -6.809 -23.623 -33.698 1.00 54.00 H new ATOM 0 HG21 ILE A 52 -9.215 -23.151 -33.259 1.00 42.00 H new ATOM 0 HG22 ILE A 52 -10.019 -21.759 -34.024 1.00 42.00 H new ATOM 0 HG23 ILE A 52 -9.630 -23.203 -34.989 1.00 42.00 H new ATOM 0 HD11 ILE A 52 -6.408 -24.893 -35.749 1.00 52.00 H new ATOM 0 HD12 ILE A 52 -8.152 -24.616 -35.521 1.00 52.00 H new ATOM 0 HD13 ILE A 52 -7.244 -23.646 -36.705 1.00 52.00 H new ATOM 820 N TYR A 53 -8.300 -19.019 -34.660 1.00 11.00 N ATOM 821 CA TYR A 53 -8.783 -17.676 -34.361 1.00 14.00 C ATOM 822 C TYR A 53 -7.589 -16.795 -34.348 1.00 70.00 C ATOM 823 O TYR A 53 -6.449 -17.285 -34.228 1.00 12.00 O ATOM 824 CB TYR A 53 -9.409 -17.599 -32.991 1.00 55.00 C ATOM 825 CG TYR A 53 -10.734 -18.332 -32.853 1.00 64.00 C ATOM 826 CD1 TYR A 53 -10.792 -19.717 -32.758 1.00 64.00 C ATOM 827 CD2 TYR A 53 -11.917 -17.636 -32.811 1.00 43.00 C ATOM 828 CE1 TYR A 53 -11.994 -20.377 -32.629 1.00 62.00 C ATOM 829 CE2 TYR A 53 -13.121 -18.286 -32.683 1.00 10.00 C ATOM 830 CZ TYR A 53 -13.156 -19.653 -32.594 1.00 51.00 C ATOM 831 OH TYR A 53 -14.360 -20.293 -32.462 1.00 11.00 O ATOM 0 H TYR A 53 -7.502 -19.291 -34.085 1.00 11.00 H new ATOM 0 HA TYR A 53 -9.531 -17.389 -35.100 1.00 14.00 H new ATOM 0 HB2 TYR A 53 -8.707 -18.006 -32.263 1.00 55.00 H new ATOM 0 HB3 TYR A 53 -9.562 -16.551 -32.735 1.00 55.00 H new ATOM 0 HD1 TYR A 53 -9.876 -20.288 -32.786 1.00 64.00 H new ATOM 0 HD2 TYR A 53 -11.901 -16.558 -32.880 1.00 43.00 H new ATOM 0 HE1 TYR A 53 -12.020 -21.454 -32.556 1.00 62.00 H new ATOM 0 HE2 TYR A 53 -14.040 -17.719 -32.653 1.00 10.00 H new ATOM 0 HH TYR A 53 -14.237 -21.120 -31.951 1.00 11.00 H new ATOM 841 N VAL A 54 -7.817 -15.551 -34.457 1.00 13.00 N ATOM 842 CA VAL A 54 -6.788 -14.563 -34.483 1.00 32.00 C ATOM 843 C VAL A 54 -6.724 -13.867 -33.127 1.00 51.00 C ATOM 844 O VAL A 54 -7.698 -13.257 -32.701 1.00 52.00 O ATOM 845 CB VAL A 54 -7.165 -13.527 -35.547 1.00 14.00 C ATOM 846 CG1 VAL A 54 -6.246 -12.309 -35.520 1.00 61.00 C ATOM 847 CG2 VAL A 54 -7.184 -14.151 -36.938 1.00 34.00 C ATOM 0 H VAL A 54 -8.757 -15.163 -34.535 1.00 13.00 H new ATOM 0 HA VAL A 54 -5.824 -15.021 -34.705 1.00 32.00 H new ATOM 0 HB VAL A 54 -8.170 -13.181 -35.306 1.00 14.00 H new ATOM 0 HG11 VAL A 54 -6.554 -11.604 -36.292 1.00 61.00 H new ATOM 0 HG12 VAL A 54 -6.308 -11.828 -34.544 1.00 61.00 H new ATOM 0 HG13 VAL A 54 -5.219 -12.624 -35.705 1.00 61.00 H new ATOM 0 HG21 VAL A 54 -7.455 -13.393 -37.673 1.00 34.00 H new ATOM 0 HG22 VAL A 54 -6.196 -14.548 -37.172 1.00 34.00 H new ATOM 0 HG23 VAL A 54 -7.915 -14.959 -36.964 1.00 34.00 H new ATOM 857 N PHE A 55 -5.615 -13.988 -32.451 1.00 4.00 N ATOM 858 CA PHE A 55 -5.408 -13.273 -31.210 1.00 62.00 C ATOM 859 C PHE A 55 -4.630 -12.024 -31.535 1.00 4.00 C ATOM 860 O PHE A 55 -3.596 -12.082 -32.220 1.00 43.00 O ATOM 861 CB PHE A 55 -4.653 -14.147 -30.181 1.00 10.00 C ATOM 862 CG PHE A 55 -4.221 -13.451 -28.905 1.00 34.00 C ATOM 863 CD1 PHE A 55 -2.998 -12.809 -28.838 1.00 41.00 C ATOM 864 CD2 PHE A 55 -5.022 -13.452 -27.782 1.00 23.00 C ATOM 865 CE1 PHE A 55 -2.587 -12.185 -27.685 1.00 31.00 C ATOM 866 CE2 PHE A 55 -4.615 -12.830 -26.625 1.00 41.00 C ATOM 867 CZ PHE A 55 -3.394 -12.197 -26.577 1.00 30.00 C ATOM 0 H PHE A 55 -4.833 -14.577 -32.736 1.00 4.00 H new ATOM 0 HA PHE A 55 -6.366 -13.017 -30.756 1.00 62.00 H new ATOM 0 HB2 PHE A 55 -5.290 -14.990 -29.913 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -3.767 -14.558 -30.665 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -2.356 -12.798 -29.706 1.00 41.00 H new ATOM 0 HD2 PHE A 55 -5.981 -13.948 -27.812 1.00 23.00 H new ATOM 0 HE1 PHE A 55 -1.630 -11.686 -27.652 1.00 31.00 H new ATOM 0 HE2 PHE A 55 -5.254 -12.838 -25.754 1.00 41.00 H new ATOM 0 HZ PHE A 55 -3.072 -11.711 -25.668 1.00 30.00 H new ATOM 877 N TRP A 56 -5.105 -10.922 -31.073 1.00 60.00 N ATOM 878 CA TRP A 56 -4.491 -9.696 -31.335 1.00 45.00 C ATOM 879 C TRP A 56 -4.190 -9.019 -30.045 1.00 5.00 C ATOM 880 O TRP A 56 -5.056 -8.856 -29.173 1.00 21.00 O ATOM 881 CB TRP A 56 -5.359 -8.819 -32.233 1.00 4.00 C ATOM 882 CG TRP A 56 -4.709 -7.525 -32.628 1.00 35.00 C ATOM 883 CD1 TRP A 56 -3.421 -7.360 -33.017 1.00 62.00 C ATOM 884 CD2 TRP A 56 -5.319 -6.228 -32.707 1.00 51.00 C ATOM 885 NE1 TRP A 56 -3.178 -6.060 -33.308 1.00 23.00 N ATOM 886 CE2 TRP A 56 -4.323 -5.335 -33.137 1.00 52.00 C ATOM 887 CE3 TRP A 56 -6.603 -5.734 -32.455 1.00 30.00 C ATOM 888 CZ2 TRP A 56 -4.566 -3.978 -33.324 1.00 21.00 C ATOM 889 CZ3 TRP A 56 -6.845 -4.385 -32.641 1.00 23.00 C ATOM 890 CH2 TRP A 56 -5.831 -3.522 -33.072 1.00 24.00 C ATOM 0 H TRP A 56 -5.944 -10.860 -30.496 1.00 60.00 H new ATOM 0 HA TRP A 56 -3.560 -9.871 -31.874 1.00 45.00 H new ATOM 0 HB2 TRP A 56 -5.613 -9.377 -33.134 1.00 4.00 H new ATOM 0 HB3 TRP A 56 -6.295 -8.602 -31.718 1.00 4.00 H new ATOM 0 HD1 TRP A 56 -2.691 -8.153 -33.085 1.00 62.00 H new ATOM 0 HE1 TRP A 56 -2.280 -5.681 -33.608 1.00 23.00 H new ATOM 0 HE3 TRP A 56 -7.391 -6.393 -32.121 1.00 30.00 H new ATOM 0 HZ2 TRP A 56 -3.785 -3.310 -33.656 1.00 21.00 H new ATOM 0 HZ3 TRP A 56 -7.832 -3.991 -32.451 1.00 23.00 H new ATOM 0 HH2 TRP A 56 -6.052 -2.474 -33.209 1.00 24.00 H new ATOM 901 N SER A 57 -2.982 -8.687 -29.915 1.00 33.00 N ATOM 902 CA SER A 57 -2.492 -7.984 -28.800 1.00 10.00 C ATOM 903 C SER A 57 -2.198 -6.592 -29.297 1.00 24.00 C ATOM 904 O SER A 57 -1.278 -6.382 -30.092 1.00 61.00 O ATOM 905 CB SER A 57 -1.228 -8.666 -28.259 1.00 44.00 C ATOM 906 OG SER A 57 -0.811 -8.098 -27.021 1.00 41.00 O ATOM 0 H SER A 57 -2.267 -8.903 -30.609 1.00 33.00 H new ATOM 0 HA SER A 57 -3.207 -7.962 -27.978 1.00 10.00 H new ATOM 0 HB2 SER A 57 -1.418 -9.731 -28.125 1.00 44.00 H new ATOM 0 HB3 SER A 57 -0.424 -8.575 -28.990 1.00 44.00 H new ATOM 0 HG SER A 57 -0.005 -8.557 -26.705 1.00 41.00 H new ATOM 912 N LYS A 58 -3.030 -5.672 -28.919 1.00 70.00 N ATOM 913 CA LYS A 58 -2.904 -4.325 -29.370 1.00 35.00 C ATOM 914 C LYS A 58 -1.932 -3.548 -28.478 1.00 62.00 C ATOM 915 O LYS A 58 -1.340 -2.550 -28.900 1.00 51.00 O ATOM 916 CB LYS A 58 -4.298 -3.723 -29.422 1.00 53.00 C ATOM 917 CG LYS A 58 -4.396 -2.261 -29.758 1.00 4.00 C ATOM 918 CD LYS A 58 -5.850 -1.855 -29.782 1.00 43.00 C ATOM 919 CE LYS A 58 -6.020 -0.352 -29.799 1.00 60.00 C ATOM 920 NZ LYS A 58 -5.424 0.271 -28.593 1.00 55.00 N ATOM 0 H LYS A 58 -3.815 -5.836 -28.289 1.00 70.00 H new ATOM 0 HA LYS A 58 -2.475 -4.278 -30.371 1.00 35.00 H new ATOM 0 HB2 LYS A 58 -4.881 -4.279 -30.156 1.00 53.00 H new ATOM 0 HB3 LYS A 58 -4.772 -3.881 -28.453 1.00 53.00 H new ATOM 0 HG2 LYS A 58 -3.853 -1.669 -29.022 1.00 4.00 H new ATOM 0 HG3 LYS A 58 -3.935 -2.066 -30.726 1.00 4.00 H new ATOM 0 HD2 LYS A 58 -6.331 -2.284 -30.661 1.00 43.00 H new ATOM 0 HD3 LYS A 58 -6.356 -2.267 -28.909 1.00 43.00 H new ATOM 0 HE2 LYS A 58 -5.551 0.059 -30.693 1.00 60.00 H new ATOM 0 HE3 LYS A 58 -7.080 -0.104 -29.853 1.00 60.00 H new ATOM 0 HZ1 LYS A 58 -5.915 1.164 -28.385 1.00 55.00 H new ATOM 0 HZ2 LYS A 58 -5.522 -0.375 -27.784 1.00 55.00 H new ATOM 0 HZ3 LYS A 58 -4.416 0.462 -28.763 1.00 55.00 H new ATOM 934 N GLY A 59 -1.735 -4.034 -27.269 1.00 24.00 N ATOM 935 CA GLY A 59 -0.786 -3.410 -26.383 1.00 70.00 C ATOM 936 C GLY A 59 -1.112 -3.645 -24.933 1.00 33.00 C ATOM 937 O GLY A 59 -0.400 -4.362 -24.233 1.00 52.00 O ATOM 0 H GLY A 59 -2.214 -4.848 -26.885 1.00 24.00 H new ATOM 0 HA2 GLY A 59 0.212 -3.795 -26.595 1.00 70.00 H new ATOM 0 HA3 GLY A 59 -0.762 -2.338 -26.578 1.00 70.00 H new ATOM 941 N ASP A 60 -2.199 -3.085 -24.494 1.00 52.00 N ATOM 942 CA ASP A 60 -2.621 -3.177 -23.095 1.00 63.00 C ATOM 943 C ASP A 60 -3.890 -3.974 -23.036 1.00 35.00 C ATOM 944 O ASP A 60 -4.433 -4.260 -21.963 1.00 62.00 O ATOM 945 CB ASP A 60 -2.890 -1.784 -22.498 1.00 50.00 C ATOM 946 CG ASP A 60 -1.702 -0.861 -22.535 1.00 44.00 C ATOM 947 OD1 ASP A 60 -0.886 -0.858 -21.580 1.00 75.00 O ATOM 948 OD2 ASP A 60 -1.567 -0.101 -23.514 1.00 24.00 O ATOM 0 H ASP A 60 -2.833 -2.546 -25.084 1.00 52.00 H new ATOM 0 HA ASP A 60 -1.825 -3.651 -22.521 1.00 63.00 H new ATOM 0 HB2 ASP A 60 -3.714 -1.321 -23.041 1.00 50.00 H new ATOM 0 HB3 ASP A 60 -3.215 -1.900 -21.464 1.00 50.00 H new ATOM 953 N GLU A 61 -4.349 -4.332 -24.193 1.00 75.00 N ATOM 954 CA GLU A 61 -5.544 -5.035 -24.389 1.00 73.00 C ATOM 955 C GLU A 61 -5.281 -6.190 -25.323 1.00 62.00 C ATOM 956 O GLU A 61 -4.328 -6.156 -26.134 1.00 3.00 O ATOM 957 CB GLU A 61 -6.650 -4.122 -24.954 1.00 45.00 C ATOM 958 CG GLU A 61 -6.346 -3.515 -26.309 1.00 71.00 C ATOM 959 CD GLU A 61 -5.401 -2.314 -26.292 1.00 54.00 C ATOM 960 OE1 GLU A 61 -4.175 -2.484 -26.180 1.00 72.00 O ATOM 961 OE2 GLU A 61 -5.875 -1.183 -26.430 1.00 22.00 O ATOM 0 H GLU A 61 -3.862 -4.123 -25.064 1.00 75.00 H new ATOM 0 HA GLU A 61 -5.897 -5.409 -23.428 1.00 73.00 H new ATOM 0 HB2 GLU A 61 -7.573 -4.697 -25.029 1.00 45.00 H new ATOM 0 HB3 GLU A 61 -6.833 -3.316 -24.244 1.00 45.00 H new ATOM 0 HG2 GLU A 61 -5.914 -4.287 -26.945 1.00 71.00 H new ATOM 0 HG3 GLU A 61 -7.285 -3.210 -26.771 1.00 71.00 H new ATOM 968 N ALA A 62 -6.091 -7.190 -25.215 1.00 71.00 N ATOM 969 CA ALA A 62 -5.981 -8.352 -25.992 1.00 10.00 C ATOM 970 C ALA A 62 -7.374 -8.763 -26.403 1.00 50.00 C ATOM 971 O ALA A 62 -8.319 -8.678 -25.607 1.00 31.00 O ATOM 972 CB ALA A 62 -5.299 -9.458 -25.204 1.00 15.00 C ATOM 0 H ALA A 62 -6.870 -7.209 -24.557 1.00 71.00 H new ATOM 0 HA ALA A 62 -5.371 -8.163 -26.875 1.00 10.00 H new ATOM 0 HB1 ALA A 62 -5.223 -10.352 -25.823 1.00 15.00 H new ATOM 0 HB2 ALA A 62 -4.301 -9.133 -24.911 1.00 15.00 H new ATOM 0 HB3 ALA A 62 -5.884 -9.683 -24.312 1.00 15.00 H new ATOM 978 N THR A 63 -7.500 -9.138 -27.615 1.00 22.00 N ATOM 979 CA THR A 63 -8.756 -9.532 -28.193 1.00 71.00 C ATOM 980 C THR A 63 -8.518 -10.753 -29.112 1.00 31.00 C ATOM 981 O THR A 63 -7.363 -11.055 -29.467 1.00 4.00 O ATOM 982 CB THR A 63 -9.357 -8.331 -28.981 1.00 71.00 C ATOM 983 OG1 THR A 63 -10.647 -8.629 -29.507 1.00 2.00 O ATOM 984 CG2 THR A 63 -8.448 -7.945 -30.102 1.00 3.00 C ATOM 0 H THR A 63 -6.717 -9.187 -28.267 1.00 22.00 H new ATOM 0 HA THR A 63 -9.468 -9.816 -27.418 1.00 71.00 H new ATOM 0 HB THR A 63 -9.459 -7.504 -28.278 1.00 71.00 H new ATOM 0 HG1 THR A 63 -10.990 -7.850 -29.993 1.00 2.00 H new ATOM 0 HG21 THR A 63 -8.878 -7.104 -30.646 1.00 3.00 H new ATOM 0 HG22 THR A 63 -7.476 -7.658 -29.700 1.00 3.00 H new ATOM 0 HG23 THR A 63 -8.325 -8.791 -30.779 1.00 3.00 H new ATOM 992 N VAL A 64 -9.581 -11.452 -29.464 1.00 41.00 N ATOM 993 CA VAL A 64 -9.516 -12.663 -30.275 1.00 21.00 C ATOM 994 C VAL A 64 -10.696 -12.690 -31.239 1.00 41.00 C ATOM 995 O VAL A 64 -11.846 -12.916 -30.822 1.00 4.00 O ATOM 996 CB VAL A 64 -9.576 -13.965 -29.429 1.00 31.00 C ATOM 997 CG1 VAL A 64 -9.451 -15.181 -30.325 1.00 22.00 C ATOM 998 CG2 VAL A 64 -8.519 -14.006 -28.355 1.00 41.00 C ATOM 0 H VAL A 64 -10.530 -11.194 -29.193 1.00 41.00 H new ATOM 0 HA VAL A 64 -8.559 -12.634 -30.797 1.00 21.00 H new ATOM 0 HB VAL A 64 -10.545 -13.975 -28.930 1.00 31.00 H new ATOM 0 HG11 VAL A 64 -9.495 -16.086 -29.719 1.00 22.00 H new ATOM 0 HG12 VAL A 64 -10.269 -15.187 -31.046 1.00 22.00 H new ATOM 0 HG13 VAL A 64 -8.500 -15.146 -30.856 1.00 22.00 H new ATOM 0 HG21 VAL A 64 -8.606 -14.937 -27.794 1.00 41.00 H new ATOM 0 HG22 VAL A 64 -7.532 -13.950 -28.814 1.00 41.00 H new ATOM 0 HG23 VAL A 64 -8.654 -13.161 -27.679 1.00 41.00 H new ATOM 1008 N TYR A 65 -10.413 -12.516 -32.497 1.00 22.00 N ATOM 1009 CA TYR A 65 -11.421 -12.429 -33.531 1.00 3.00 C ATOM 1010 C TYR A 65 -11.027 -13.201 -34.759 1.00 24.00 C ATOM 1011 O TYR A 65 -10.072 -12.864 -35.431 1.00 25.00 O ATOM 1012 CB TYR A 65 -11.661 -10.944 -33.879 1.00 63.00 C ATOM 1013 CG TYR A 65 -12.367 -10.646 -35.214 1.00 14.00 C ATOM 1014 CD1 TYR A 65 -13.660 -11.065 -35.467 1.00 4.00 C ATOM 1015 CD2 TYR A 65 -11.722 -9.912 -36.207 1.00 24.00 C ATOM 1016 CE1 TYR A 65 -14.294 -10.773 -36.654 1.00 34.00 C ATOM 1017 CE2 TYR A 65 -12.351 -9.619 -37.403 1.00 33.00 C ATOM 1018 CZ TYR A 65 -13.640 -10.053 -37.617 1.00 63.00 C ATOM 1019 OH TYR A 65 -14.285 -9.756 -38.803 1.00 1.00 O ATOM 0 H TYR A 65 -9.459 -12.428 -32.847 1.00 22.00 H new ATOM 0 HA TYR A 65 -12.342 -12.874 -33.155 1.00 3.00 H new ATOM 0 HB2 TYR A 65 -12.250 -10.499 -33.077 1.00 63.00 H new ATOM 0 HB3 TYR A 65 -10.696 -10.437 -33.885 1.00 63.00 H new ATOM 0 HD1 TYR A 65 -14.186 -11.635 -34.715 1.00 4.00 H new ATOM 0 HD2 TYR A 65 -10.713 -9.566 -36.040 1.00 24.00 H new ATOM 0 HE1 TYR A 65 -15.305 -11.111 -36.825 1.00 34.00 H new ATOM 0 HE2 TYR A 65 -11.835 -9.053 -38.164 1.00 33.00 H new ATOM 0 HH TYR A 65 -13.686 -9.239 -39.381 1.00 1.00 H new ATOM 1029 N LYS A 66 -11.719 -14.268 -35.005 1.00 65.00 N ATOM 1030 CA LYS A 66 -11.634 -14.928 -36.227 1.00 4.00 C ATOM 1031 C LYS A 66 -12.781 -14.359 -37.009 1.00 60.00 C ATOM 1032 O LYS A 66 -13.774 -13.943 -36.423 1.00 34.00 O ATOM 1033 CB LYS A 66 -11.900 -16.421 -36.084 1.00 13.00 C ATOM 1034 CG LYS A 66 -11.561 -17.200 -37.339 1.00 63.00 C ATOM 1035 CD LYS A 66 -12.346 -18.476 -37.451 1.00 72.00 C ATOM 1036 CE LYS A 66 -11.880 -19.302 -38.644 1.00 30.00 C ATOM 1037 NZ LYS A 66 -12.766 -20.450 -38.885 1.00 73.00 N ATOM 0 H LYS A 66 -12.363 -14.695 -34.339 1.00 65.00 H new ATOM 0 HA LYS A 66 -10.647 -14.803 -36.672 1.00 4.00 H new ATOM 0 HB2 LYS A 66 -11.316 -16.811 -35.251 1.00 13.00 H new ATOM 0 HB3 LYS A 66 -12.950 -16.576 -35.838 1.00 13.00 H new ATOM 0 HG2 LYS A 66 -11.756 -16.579 -38.213 1.00 63.00 H new ATOM 0 HG3 LYS A 66 -10.496 -17.430 -37.344 1.00 63.00 H new ATOM 0 HD2 LYS A 66 -12.234 -19.057 -36.536 1.00 72.00 H new ATOM 0 HD3 LYS A 66 -13.406 -18.247 -37.555 1.00 72.00 H new ATOM 0 HE2 LYS A 66 -11.849 -18.673 -39.533 1.00 30.00 H new ATOM 0 HE3 LYS A 66 -10.864 -19.656 -38.468 1.00 30.00 H new ATOM 0 HZ1 LYS A 66 -12.265 -21.162 -39.454 1.00 73.00 H new ATOM 0 HZ2 LYS A 66 -13.047 -20.869 -37.975 1.00 73.00 H new ATOM 0 HZ3 LYS A 66 -13.614 -20.133 -39.397 1.00 73.00 H new ATOM 1051 N ARG A 67 -12.677 -14.409 -38.271 1.00 22.00 N ATOM 1052 CA ARG A 67 -13.701 -13.928 -39.207 1.00 25.00 C ATOM 1053 C ARG A 67 -15.068 -14.577 -38.917 1.00 64.00 C ATOM 1054 O ARG A 67 -16.120 -13.975 -39.129 1.00 13.00 O ATOM 1055 CB ARG A 67 -13.219 -14.201 -40.671 1.00 70.00 C ATOM 1056 CG ARG A 67 -14.207 -13.862 -41.804 1.00 51.00 C ATOM 1057 CD ARG A 67 -15.231 -14.977 -42.044 1.00 54.00 C ATOM 1058 NE ARG A 67 -16.234 -14.619 -43.048 1.00 21.00 N ATOM 1059 CZ ARG A 67 -17.484 -15.107 -43.085 1.00 72.00 C ATOM 1060 NH1 ARG A 67 -17.863 -16.060 -42.239 1.00 14.00 N ATOM 1061 NH2 ARG A 67 -18.337 -14.677 -44.003 1.00 55.00 N ATOM 0 H ARG A 67 -11.857 -14.795 -38.739 1.00 22.00 H new ATOM 0 HA ARG A 67 -13.838 -12.854 -39.080 1.00 25.00 H new ATOM 0 HB2 ARG A 67 -12.303 -13.634 -40.838 1.00 70.00 H new ATOM 0 HB3 ARG A 67 -12.959 -15.257 -40.752 1.00 70.00 H new ATOM 0 HG2 ARG A 67 -14.731 -12.938 -41.560 1.00 51.00 H new ATOM 0 HG3 ARG A 67 -13.651 -13.680 -42.724 1.00 51.00 H new ATOM 0 HD2 ARG A 67 -14.710 -15.880 -42.363 1.00 54.00 H new ATOM 0 HD3 ARG A 67 -15.732 -15.213 -41.105 1.00 54.00 H new ATOM 0 HE ARG A 67 -15.964 -13.952 -43.771 1.00 21.00 H new ATOM 0 HH11 ARG A 67 -17.202 -16.427 -41.554 1.00 14.00 H new ATOM 0 HH12 ARG A 67 -18.815 -16.425 -42.275 1.00 14.00 H new ATOM 0 HH21 ARG A 67 -18.044 -13.975 -44.682 1.00 55.00 H new ATOM 0 HH22 ARG A 67 -19.287 -15.048 -44.031 1.00 55.00 H new ATOM 1075 N ASP A 68 -15.035 -15.770 -38.373 1.00 50.00 N ATOM 1076 CA ASP A 68 -16.239 -16.525 -38.144 1.00 51.00 C ATOM 1077 C ASP A 68 -16.705 -16.387 -36.747 1.00 52.00 C ATOM 1078 O ASP A 68 -17.851 -16.709 -36.459 1.00 25.00 O ATOM 1079 CB ASP A 68 -16.075 -18.010 -38.468 1.00 10.00 C ATOM 1080 CG ASP A 68 -15.703 -18.268 -39.889 1.00 2.00 C ATOM 1081 OD1 ASP A 68 -16.442 -17.851 -40.789 1.00 73.00 O ATOM 1082 OD2 ASP A 68 -14.656 -18.890 -40.143 1.00 74.00 O ATOM 0 H ASP A 68 -14.179 -16.240 -38.079 1.00 50.00 H new ATOM 0 HA ASP A 68 -16.983 -16.107 -38.822 1.00 51.00 H new ATOM 0 HB2 ASP A 68 -15.310 -18.434 -37.817 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -17.007 -18.528 -38.244 1.00 10.00 H new ATOM 1087 N ARG A 69 -15.842 -15.878 -35.869 1.00 43.00 N ATOM 1088 CA ARG A 69 -16.180 -15.783 -34.483 1.00 42.00 C ATOM 1089 C ARG A 69 -15.093 -15.096 -33.636 1.00 31.00 C ATOM 1090 O ARG A 69 -13.913 -15.415 -33.702 1.00 71.00 O ATOM 1091 CB ARG A 69 -16.507 -17.157 -33.867 1.00 5.00 C ATOM 1092 CG ARG A 69 -16.995 -17.061 -32.438 1.00 41.00 C ATOM 1093 CD ARG A 69 -17.097 -18.407 -31.772 1.00 5.00 C ATOM 1094 NE ARG A 69 -18.080 -19.312 -32.401 1.00 52.00 N ATOM 1095 CZ ARG A 69 -18.470 -20.490 -31.868 1.00 52.00 C ATOM 1096 NH1 ARG A 69 -17.924 -20.917 -30.731 1.00 2.00 N ATOM 1097 NH2 ARG A 69 -19.393 -21.236 -32.477 1.00 20.00 N ATOM 0 H ARG A 69 -14.913 -15.532 -36.108 1.00 43.00 H new ATOM 0 HA ARG A 69 -17.072 -15.157 -34.459 1.00 42.00 H new ATOM 0 HB2 ARG A 69 -17.268 -17.649 -34.473 1.00 5.00 H new ATOM 0 HB3 ARG A 69 -15.617 -17.785 -33.900 1.00 5.00 H new ATOM 0 HG2 ARG A 69 -16.316 -16.427 -31.867 1.00 41.00 H new ATOM 0 HG3 ARG A 69 -17.971 -16.577 -32.423 1.00 41.00 H new ATOM 0 HD2 ARG A 69 -16.117 -18.884 -31.787 1.00 5.00 H new ATOM 0 HD3 ARG A 69 -17.367 -18.264 -30.726 1.00 5.00 H new ATOM 0 HE ARG A 69 -18.489 -19.030 -33.292 1.00 52.00 H new ATOM 0 HH11 ARG A 69 -17.213 -20.355 -30.264 1.00 2.00 H new ATOM 0 HH12 ARG A 69 -18.217 -21.806 -30.327 1.00 2.00 H new ATOM 0 HH21 ARG A 69 -19.810 -20.918 -33.352 1.00 20.00 H new ATOM 0 HH22 ARG A 69 -19.682 -22.124 -32.068 1.00 20.00 H new ATOM 1111 N ILE A 70 -15.528 -14.143 -32.915 1.00 65.00 N ATOM 1112 CA ILE A 70 -14.812 -13.490 -31.842 1.00 60.00 C ATOM 1113 C ILE A 70 -15.064 -14.314 -30.623 1.00 52.00 C ATOM 1114 O ILE A 70 -16.193 -14.746 -30.379 1.00 61.00 O ATOM 1115 CB ILE A 70 -15.413 -12.093 -31.512 1.00 4.00 C ATOM 1116 CG1 ILE A 70 -15.474 -11.199 -32.720 1.00 74.00 C ATOM 1117 CG2 ILE A 70 -14.647 -11.400 -30.379 1.00 42.00 C ATOM 1118 CD1 ILE A 70 -16.198 -9.886 -32.498 1.00 20.00 C ATOM 0 H ILE A 70 -16.461 -13.753 -33.051 1.00 65.00 H new ATOM 0 HA ILE A 70 -13.765 -13.384 -32.128 1.00 60.00 H new ATOM 0 HB ILE A 70 -16.435 -12.273 -31.178 1.00 4.00 H new ATOM 0 HG12 ILE A 70 -14.457 -10.987 -33.050 1.00 74.00 H new ATOM 0 HG13 ILE A 70 -15.966 -11.738 -33.530 1.00 74.00 H new ATOM 0 HG21 ILE A 70 -15.096 -10.428 -30.178 1.00 42.00 H new ATOM 0 HG22 ILE A 70 -14.693 -12.014 -29.480 1.00 42.00 H new ATOM 0 HG23 ILE A 70 -13.606 -11.265 -30.673 1.00 42.00 H new ATOM 0 HD11 ILE A 70 -16.193 -9.307 -33.421 1.00 20.00 H new ATOM 0 HD12 ILE A 70 -17.228 -10.084 -32.200 1.00 20.00 H new ATOM 0 HD13 ILE A 70 -15.695 -9.321 -31.713 1.00 20.00 H new ATOM 1130 N VAL A 71 -14.071 -14.537 -29.881 1.00 63.00 N ATOM 1131 CA VAL A 71 -14.249 -15.233 -28.634 1.00 4.00 C ATOM 1132 C VAL A 71 -13.970 -14.330 -27.474 1.00 72.00 C ATOM 1133 O VAL A 71 -14.524 -14.514 -26.384 1.00 71.00 O ATOM 1134 CB VAL A 71 -13.519 -16.602 -28.515 1.00 61.00 C ATOM 1135 CG1 VAL A 71 -14.170 -17.625 -29.425 1.00 53.00 C ATOM 1136 CG2 VAL A 71 -12.074 -16.479 -28.873 1.00 23.00 C ATOM 0 H VAL A 71 -13.112 -14.258 -30.091 1.00 63.00 H new ATOM 0 HA VAL A 71 -15.302 -15.513 -28.614 1.00 4.00 H new ATOM 0 HB VAL A 71 -13.597 -16.927 -27.478 1.00 61.00 H new ATOM 0 HG11 VAL A 71 -13.650 -18.578 -29.332 1.00 53.00 H new ATOM 0 HG12 VAL A 71 -15.214 -17.753 -29.141 1.00 53.00 H new ATOM 0 HG13 VAL A 71 -14.115 -17.281 -30.458 1.00 53.00 H new ATOM 0 HG21 VAL A 71 -11.592 -17.452 -28.780 1.00 23.00 H new ATOM 0 HG22 VAL A 71 -11.982 -16.125 -29.900 1.00 23.00 H new ATOM 0 HG23 VAL A 71 -11.592 -15.769 -28.201 1.00 23.00 H new ATOM 1146 N LEU A 72 -13.180 -13.303 -27.725 1.00 42.00 N ATOM 1147 CA LEU A 72 -12.821 -12.337 -26.703 1.00 43.00 C ATOM 1148 C LEU A 72 -12.607 -10.996 -27.337 1.00 30.00 C ATOM 1149 O LEU A 72 -12.030 -10.940 -28.402 1.00 61.00 O ATOM 1150 CB LEU A 72 -11.504 -12.681 -25.950 1.00 40.00 C ATOM 1151 CG LEU A 72 -11.478 -13.866 -24.984 1.00 14.00 C ATOM 1152 CD1 LEU A 72 -11.288 -15.200 -25.680 1.00 1.00 C ATOM 1153 CD2 LEU A 72 -10.432 -13.660 -23.930 1.00 13.00 C ATOM 0 H LEU A 72 -12.770 -13.115 -28.640 1.00 42.00 H new ATOM 0 HA LEU A 72 -13.645 -12.346 -25.989 1.00 43.00 H new ATOM 0 HB2 LEU A 72 -10.734 -12.855 -26.701 1.00 40.00 H new ATOM 0 HB3 LEU A 72 -11.207 -11.795 -25.389 1.00 40.00 H new ATOM 0 HG LEU A 72 -12.460 -13.906 -24.512 1.00 14.00 H new ATOM 0 HD11 LEU A 72 -11.279 -15.999 -24.939 1.00 1.00 H new ATOM 0 HD12 LEU A 72 -12.107 -15.365 -26.381 1.00 1.00 H new ATOM 0 HD13 LEU A 72 -10.342 -15.196 -26.222 1.00 1.00 H new ATOM 0 HD21 LEU A 72 -10.427 -14.513 -23.251 1.00 13.00 H new ATOM 0 HD22 LEU A 72 -9.454 -13.566 -24.402 1.00 13.00 H new ATOM 0 HD23 LEU A 72 -10.654 -12.751 -23.370 1.00 13.00 H new ATOM 1165 N ASN A 73 -13.091 -9.927 -26.725 1.00 72.00 N ATOM 1166 CA ASN A 73 -12.729 -8.588 -27.196 1.00 73.00 C ATOM 1167 C ASN A 73 -12.482 -7.661 -26.019 1.00 41.00 C ATOM 1168 O ASN A 73 -12.394 -6.434 -26.164 1.00 21.00 O ATOM 1169 CB ASN A 73 -13.737 -7.965 -28.222 1.00 41.00 C ATOM 1170 CG ASN A 73 -14.995 -7.268 -27.659 1.00 62.00 C ATOM 1171 OD1 ASN A 73 -15.449 -6.281 -28.230 1.00 32.00 O ATOM 1172 ND2 ASN A 73 -15.577 -7.752 -26.601 1.00 32.00 N ATOM 0 H ASN A 73 -13.719 -9.950 -25.922 1.00 72.00 H new ATOM 0 HA ASN A 73 -11.803 -8.707 -27.759 1.00 73.00 H new ATOM 0 HB2 ASN A 73 -13.194 -7.239 -28.827 1.00 41.00 H new ATOM 0 HB3 ASN A 73 -14.065 -8.758 -28.894 1.00 41.00 H new ATOM 0 HD21 ASN A 73 -16.421 -7.311 -26.236 1.00 32.00 H new ATOM 0 HD22 ASN A 73 -15.189 -8.573 -26.136 1.00 32.00 H new ATOM 1179 N ASN A 74 -12.281 -8.253 -24.862 1.00 23.00 N ATOM 1180 CA ASN A 74 -12.076 -7.493 -23.656 1.00 40.00 C ATOM 1181 C ASN A 74 -11.186 -8.208 -22.676 1.00 34.00 C ATOM 1182 O ASN A 74 -11.642 -8.959 -21.814 1.00 53.00 O ATOM 1183 CB ASN A 74 -13.385 -7.066 -22.968 1.00 1.00 C ATOM 1184 CG ASN A 74 -13.128 -6.228 -21.705 1.00 63.00 C ATOM 1185 OD1 ASN A 74 -12.133 -5.507 -21.602 1.00 73.00 O ATOM 1186 ND2 ASN A 74 -14.015 -6.312 -20.754 1.00 25.00 N ATOM 0 H ASN A 74 -12.256 -9.265 -24.734 1.00 23.00 H new ATOM 0 HA ASN A 74 -11.573 -6.583 -23.983 1.00 40.00 H new ATOM 0 HB2 ASN A 74 -13.991 -6.490 -23.668 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -13.961 -7.953 -22.703 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -13.896 -5.773 -19.896 1.00 25.00 H new ATOM 0 HD22 ASN A 74 -14.828 -6.917 -20.867 1.00 25.00 H new ATOM 1193 N CYS A 75 -9.942 -8.071 -22.905 1.00 1.00 N ATOM 1194 CA CYS A 75 -8.935 -8.432 -21.954 1.00 63.00 C ATOM 1195 C CYS A 75 -8.024 -7.285 -21.875 1.00 2.00 C ATOM 1196 O CYS A 75 -7.566 -6.796 -22.908 1.00 50.00 O ATOM 1197 CB CYS A 75 -8.182 -9.707 -22.311 1.00 43.00 C ATOM 1198 SG CYS A 75 -9.080 -11.235 -21.923 1.00 52.00 S ATOM 0 H CYS A 75 -9.570 -7.696 -23.778 1.00 1.00 H new ATOM 0 HA CYS A 75 -9.402 -8.656 -20.995 1.00 63.00 H new ATOM 0 HB2 CYS A 75 -7.953 -9.694 -23.377 1.00 43.00 H new ATOM 0 HB3 CYS A 75 -7.230 -9.714 -21.781 1.00 43.00 H new ATOM 1203 N GLN A 76 -7.770 -6.827 -20.702 1.00 63.00 N ATOM 1204 CA GLN A 76 -7.018 -5.656 -20.511 1.00 52.00 C ATOM 1205 C GLN A 76 -6.031 -5.942 -19.472 1.00 61.00 C ATOM 1206 O GLN A 76 -6.326 -6.005 -18.269 1.00 2.00 O ATOM 1207 CB GLN A 76 -7.910 -4.449 -20.234 1.00 3.00 C ATOM 1208 CG GLN A 76 -8.687 -4.026 -21.479 1.00 44.00 C ATOM 1209 CD GLN A 76 -9.593 -2.841 -21.264 1.00 22.00 C ATOM 1210 OE1 GLN A 76 -9.178 -1.688 -21.425 1.00 31.00 O ATOM 1211 NE2 GLN A 76 -10.835 -3.095 -20.980 1.00 52.00 N ATOM 0 H GLN A 76 -8.087 -7.268 -19.839 1.00 63.00 H new ATOM 0 HA GLN A 76 -6.485 -5.370 -21.418 1.00 52.00 H new ATOM 0 HB2 GLN A 76 -8.609 -4.689 -19.432 1.00 3.00 H new ATOM 0 HB3 GLN A 76 -7.299 -3.616 -19.886 1.00 3.00 H new ATOM 0 HG2 GLN A 76 -7.979 -3.789 -22.273 1.00 44.00 H new ATOM 0 HG3 GLN A 76 -9.285 -4.869 -21.825 1.00 44.00 H new ATOM 0 HE21 GLN A 76 -11.142 -4.059 -20.854 1.00 52.00 H new ATOM 0 HE22 GLN A 76 -11.503 -2.330 -20.883 1.00 52.00 H new ATOM 1220 N LEU A 77 -4.863 -6.131 -19.950 1.00 22.00 N ATOM 1221 CA LEU A 77 -3.808 -6.702 -19.213 1.00 61.00 C ATOM 1222 C LEU A 77 -3.378 -5.852 -18.040 1.00 51.00 C ATOM 1223 O LEU A 77 -3.097 -4.673 -18.182 1.00 53.00 O ATOM 1224 CB LEU A 77 -2.644 -7.018 -20.134 1.00 70.00 C ATOM 1225 CG LEU A 77 -1.437 -7.710 -19.506 1.00 13.00 C ATOM 1226 CD1 LEU A 77 -1.847 -9.020 -18.858 1.00 74.00 C ATOM 1227 CD2 LEU A 77 -0.378 -7.923 -20.569 1.00 1.00 C ATOM 0 H LEU A 77 -4.606 -5.882 -20.905 1.00 22.00 H new ATOM 0 HA LEU A 77 -4.178 -7.631 -18.780 1.00 61.00 H new ATOM 0 HB2 LEU A 77 -3.013 -7.647 -20.944 1.00 70.00 H new ATOM 0 HB3 LEU A 77 -2.304 -6.085 -20.584 1.00 70.00 H new ATOM 0 HG LEU A 77 -1.022 -7.079 -18.720 1.00 13.00 H new ATOM 0 HD11 LEU A 77 -0.972 -9.497 -18.416 1.00 74.00 H new ATOM 0 HD12 LEU A 77 -2.586 -8.826 -18.080 1.00 74.00 H new ATOM 0 HD13 LEU A 77 -2.278 -9.679 -19.611 1.00 74.00 H new ATOM 0 HD21 LEU A 77 0.487 -8.417 -20.127 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -0.783 -8.546 -21.367 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -0.075 -6.960 -20.979 1.00 1.00 H new ATOM 1239 N GLN A 78 -3.357 -6.466 -16.889 1.00 45.00 N ATOM 1240 CA GLN A 78 -2.946 -5.804 -15.685 1.00 50.00 C ATOM 1241 C GLN A 78 -1.428 -5.846 -15.591 1.00 64.00 C ATOM 1242 O GLN A 78 -0.767 -4.811 -15.525 1.00 30.00 O ATOM 1243 CB GLN A 78 -3.586 -6.489 -14.476 1.00 30.00 C ATOM 1244 CG GLN A 78 -5.109 -6.571 -14.546 1.00 14.00 C ATOM 1245 CD GLN A 78 -5.767 -5.208 -14.589 1.00 35.00 C ATOM 1246 OE1 GLN A 78 -6.095 -4.638 -13.560 1.00 2.00 O ATOM 1247 NE2 GLN A 78 -5.961 -4.677 -15.766 1.00 64.00 N ATOM 0 H GLN A 78 -3.625 -7.442 -16.761 1.00 45.00 H new ATOM 0 HA GLN A 78 -3.271 -4.764 -15.699 1.00 50.00 H new ATOM 0 HB2 GLN A 78 -3.181 -7.497 -14.386 1.00 30.00 H new ATOM 0 HB3 GLN A 78 -3.302 -5.949 -13.573 1.00 30.00 H new ATOM 0 HG2 GLN A 78 -5.398 -7.137 -15.431 1.00 14.00 H new ATOM 0 HG3 GLN A 78 -5.479 -7.121 -13.681 1.00 14.00 H new ATOM 0 HE21 GLN A 78 -5.675 -5.180 -16.606 1.00 64.00 H new ATOM 0 HE22 GLN A 78 -6.398 -3.759 -15.846 1.00 64.00 H new ATOM 1256 N ASN A 79 -0.890 -7.051 -15.640 1.00 32.00 N ATOM 1257 CA ASN A 79 0.526 -7.293 -15.562 1.00 31.00 C ATOM 1258 C ASN A 79 0.728 -8.757 -15.815 1.00 75.00 C ATOM 1259 O ASN A 79 0.197 -9.579 -15.081 1.00 74.00 O ATOM 1260 CB ASN A 79 1.062 -6.923 -14.180 1.00 54.00 C ATOM 1261 CG ASN A 79 2.536 -7.169 -14.049 1.00 42.00 C ATOM 1262 OD1 ASN A 79 2.961 -8.238 -13.634 1.00 11.00 O ATOM 1263 ND2 ASN A 79 3.325 -6.203 -14.410 1.00 33.00 N ATOM 0 H ASN A 79 -1.443 -7.902 -15.737 1.00 32.00 H new ATOM 0 HA ASN A 79 1.061 -6.686 -16.293 1.00 31.00 H new ATOM 0 HB2 ASN A 79 0.854 -5.871 -13.983 1.00 54.00 H new ATOM 0 HB3 ASN A 79 0.532 -7.500 -13.422 1.00 54.00 H new ATOM 0 HD21 ASN A 79 4.336 -6.322 -14.352 1.00 33.00 H new ATOM 0 HD22 ASN A 79 2.933 -5.325 -14.751 1.00 33.00 H new ATOM 1270 N PRO A 80 1.425 -9.131 -16.875 1.00 30.00 N ATOM 1271 CA PRO A 80 1.558 -10.524 -17.221 1.00 43.00 C ATOM 1272 C PRO A 80 2.722 -11.256 -16.513 1.00 63.00 C ATOM 1273 O PRO A 80 2.779 -12.495 -16.505 1.00 42.00 O ATOM 1274 CB PRO A 80 1.811 -10.482 -18.719 1.00 22.00 C ATOM 1275 CG PRO A 80 2.595 -9.217 -18.909 1.00 65.00 C ATOM 1276 CD PRO A 80 2.090 -8.246 -17.865 1.00 12.00 C ATOM 0 HA PRO A 80 0.673 -11.081 -16.913 1.00 43.00 H new ATOM 0 HB2 PRO A 80 2.370 -11.355 -19.056 1.00 22.00 H new ATOM 0 HB3 PRO A 80 0.878 -10.464 -19.283 1.00 22.00 H new ATOM 0 HG2 PRO A 80 3.663 -9.399 -18.787 1.00 65.00 H new ATOM 0 HG3 PRO A 80 2.452 -8.818 -19.913 1.00 65.00 H new ATOM 0 HD2 PRO A 80 2.905 -7.678 -17.415 1.00 12.00 H new ATOM 0 HD3 PRO A 80 1.394 -7.523 -18.290 1.00 12.00 H new ATOM 1284 N GLN A 81 3.620 -10.496 -15.902 1.00 60.00 N ATOM 1285 CA GLN A 81 4.841 -11.053 -15.368 1.00 21.00 C ATOM 1286 C GLN A 81 4.731 -11.481 -13.923 1.00 32.00 C ATOM 1287 O GLN A 81 5.625 -12.171 -13.432 1.00 31.00 O ATOM 1288 CB GLN A 81 6.012 -10.090 -15.529 1.00 30.00 C ATOM 1289 CG GLN A 81 5.867 -8.783 -14.775 1.00 43.00 C ATOM 1290 CD GLN A 81 7.092 -7.915 -14.890 1.00 25.00 C ATOM 1291 OE1 GLN A 81 7.205 -7.095 -15.801 1.00 32.00 O ATOM 1292 NE2 GLN A 81 8.006 -8.075 -13.978 1.00 1.00 N ATOM 0 H GLN A 81 3.519 -9.490 -15.767 1.00 60.00 H new ATOM 0 HA GLN A 81 5.025 -11.952 -15.957 1.00 21.00 H new ATOM 0 HB2 GLN A 81 6.922 -10.588 -15.194 1.00 30.00 H new ATOM 0 HB3 GLN A 81 6.140 -9.870 -16.589 1.00 30.00 H new ATOM 0 HG2 GLN A 81 5.003 -8.240 -15.158 1.00 43.00 H new ATOM 0 HG3 GLN A 81 5.671 -8.993 -13.723 1.00 43.00 H new ATOM 0 HE21 GLN A 81 7.874 -8.766 -13.239 1.00 1.00 H new ATOM 0 HE22 GLN A 81 8.855 -7.510 -14.002 1.00 1.00 H new ATOM 1301 N ARG A 82 3.629 -11.094 -13.290 1.00 73.00 N ATOM 1302 CA ARG A 82 3.329 -11.300 -11.854 1.00 60.00 C ATOM 1303 C ARG A 82 4.488 -10.863 -10.933 1.00 32.00 C ATOM 1304 O ARG A 82 4.493 -9.700 -10.518 1.00 15.00 O ATOM 1305 CB ARG A 82 2.770 -12.719 -11.531 1.00 70.00 C ATOM 1306 CG ARG A 82 3.700 -13.859 -11.856 1.00 52.00 C ATOM 1307 CD ARG A 82 3.069 -15.216 -11.623 1.00 24.00 C ATOM 1308 NE ARG A 82 1.988 -15.478 -12.574 1.00 24.00 N ATOM 1309 CZ ARG A 82 2.095 -16.272 -13.650 1.00 12.00 C ATOM 1310 NH1 ARG A 82 3.240 -16.911 -13.909 1.00 65.00 N ATOM 1311 NH2 ARG A 82 1.061 -16.412 -14.468 1.00 45.00 N ATOM 1312 OXT ARG A 82 5.423 -11.654 -10.665 1.00 23.00 O ATOM 0 H ARG A 82 2.877 -10.604 -13.775 1.00 73.00 H new ATOM 0 HA ARG A 82 2.505 -10.624 -11.625 1.00 60.00 H new ATOM 0 HB2 ARG A 82 2.523 -12.763 -10.470 1.00 70.00 H new ATOM 0 HB3 ARG A 82 1.840 -12.861 -12.081 1.00 70.00 H new ATOM 0 HG2 ARG A 82 4.011 -13.782 -12.898 1.00 52.00 H new ATOM 0 HG3 ARG A 82 4.600 -13.773 -11.247 1.00 52.00 H new ATOM 0 HD2 ARG A 82 3.829 -15.992 -11.713 1.00 24.00 H new ATOM 0 HD3 ARG A 82 2.680 -15.267 -10.606 1.00 24.00 H new ATOM 0 HE ARG A 82 1.090 -15.025 -12.407 1.00 24.00 H new ATOM 0 HH11 ARG A 82 4.040 -16.797 -13.287 1.00 65.00 H new ATOM 0 HH12 ARG A 82 3.314 -17.513 -14.729 1.00 65.00 H new ATOM 0 HH21 ARG A 82 0.190 -15.917 -14.278 1.00 45.00 H new ATOM 0 HH22 ARG A 82 1.137 -17.014 -15.288 1.00 45.00 H new TER 1326 ARG A 82