USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 824 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 116 ASN : amide:sc= -3.09! C(o=-7.4!,f=-8.4!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -4.32! C(o=-7.4!,f=-15!) USER MOD Set 2.1: A 73 SER OG : rot 142:sc= 1.22 USER MOD Set 2.2: A 101 THR OG1 : rot -150:sc= 1.01 USER MOD Set 3.1: A 71 CYS SG : rot -170:sc= 0.919 USER MOD Set 3.2: A 102 CYS SG : rot 180:sc= -1.69! USER MOD Set 4.1: A 62 SER OG : rot 153:sc= -0.707 USER MOD Set 4.2: A 63 CYS SG : rot -109:sc= 0.898 USER MOD Set 4.3: A 68 CYS SG : rot -179:sc= 0.416 USER MOD Set 4.4: A 70 ASN : amide:sc= -0.0978 X(o=0.51,f=0.58) USER MOD Set 5.1: A 7 ASN : amide:sc= -0.104 K(o=-1.9,f=-4.3!) USER MOD Set 5.2: A 10 THR OG1 : rot -160:sc= -1.77! USER MOD Set 6.1: A 5 TYR OH : rot 77:sc= 1.48! USER MOD Set 6.2: A 57 TYR OH : rot -97:sc= 0.606 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 68:sc= -2.84! USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 0:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 162:sc= -7.55! (180deg=-9.77!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.67) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -162:sc= 0 (180deg=-0.442) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.437 K(o=-0.44,f=-3.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -150:sc= 0.0861 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -45:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -20.303 -15.140 12.878 1.00 3.92 N ATOM 2 CA PRO A 1 -18.860 -15.507 12.846 1.00 3.44 C ATOM 3 C PRO A 1 -17.992 -14.267 13.073 1.00 3.50 C ATOM 4 O PRO A 1 -17.309 -13.803 12.179 1.00 4.94 O ATOM 5 CB PRO A 1 -18.656 -16.064 11.442 1.00 2.00 C ATOM 6 CG PRO A 1 -19.731 -15.434 10.620 1.00 4.99 C ATOM 7 CD PRO A 1 -20.900 -15.190 11.538 1.00 3.38 C ATOM 0 H2 PRO A 1 -20.408 -14.202 13.264 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.804 -15.776 13.499 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.583 -16.221 13.622 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.667 -15.814 11.058 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.737 -17.151 11.432 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -19.383 -14.499 10.181 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -20.018 -16.086 9.795 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -21.410 -14.258 11.294 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.640 -15.987 11.461 1.00 3.38 H new ATOM 17 N THR A 2 -18.013 -13.724 14.260 1.00 3.08 N ATOM 18 CA THR A 2 -17.191 -12.512 14.540 1.00 2.08 C ATOM 19 C THR A 2 -16.076 -12.841 15.537 1.00 2.52 C ATOM 20 O THR A 2 -16.261 -13.606 16.463 1.00 2.28 O ATOM 21 CB THR A 2 -18.170 -11.505 15.146 1.00 3.47 C ATOM 22 OG1 THR A 2 -19.101 -11.097 14.152 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.400 -10.287 15.658 1.00 3.09 C ATOM 0 H THR A 2 -18.563 -14.067 15.047 1.00 3.08 H new ATOM 0 HA THR A 2 -16.707 -12.126 13.643 1.00 2.08 H new ATOM 0 HB THR A 2 -18.703 -11.969 15.976 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.731 -10.453 14.538 1.00 3.73 H new ATOM 0 HG21 THR A 2 -18.098 -9.570 16.090 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.686 -10.602 16.419 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.866 -9.820 14.831 1.00 3.09 H new ATOM 31 N VAL A 3 -14.920 -12.265 15.354 1.00 10.00 N ATOM 32 CA VAL A 3 -13.792 -12.540 16.289 1.00 10.00 C ATOM 33 C VAL A 3 -12.998 -11.254 16.543 1.00 10.00 C ATOM 34 O VAL A 3 -13.248 -10.231 15.938 1.00 10.00 O ATOM 35 CB VAL A 3 -12.926 -13.575 15.569 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.778 -14.006 16.483 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.781 -14.795 15.214 1.00 10.00 C ATOM 0 H VAL A 3 -14.707 -11.615 14.597 1.00 10.00 H new ATOM 0 HA VAL A 3 -14.133 -12.901 17.259 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.519 -13.137 14.658 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -11.161 -14.744 15.969 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -11.170 -13.138 16.737 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -12.184 -14.444 17.395 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -13.165 -15.534 14.701 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -14.188 -15.232 16.126 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.599 -14.489 14.562 1.00 10.00 H new ATOM 47 N GLU A 4 -12.044 -11.298 17.432 1.00 10.00 N ATOM 48 CA GLU A 4 -11.239 -10.076 17.720 1.00 10.00 C ATOM 49 C GLU A 4 -9.750 -10.429 17.791 1.00 10.00 C ATOM 50 O GLU A 4 -9.332 -11.230 18.602 1.00 10.00 O ATOM 51 CB GLU A 4 -11.740 -9.587 19.080 1.00 50.00 C ATOM 52 CG GLU A 4 -11.572 -8.069 19.172 1.00 50.00 C ATOM 53 CD GLU A 4 -12.352 -7.543 20.378 1.00 50.00 C ATOM 54 OE1 GLU A 4 -13.233 -8.248 20.841 1.00 50.00 O ATOM 55 OE2 GLU A 4 -12.054 -6.445 20.818 1.00 50.00 O ATOM 0 H GLU A 4 -11.787 -12.125 17.971 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.348 -9.316 16.947 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.788 -9.856 19.211 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.183 -10.074 19.881 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.517 -7.814 19.268 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -11.932 -7.596 18.258 1.00 50.00 H new ATOM 62 N TYR A 5 -8.948 -9.840 16.945 1.00 10.00 N ATOM 63 CA TYR A 5 -7.487 -10.150 16.968 1.00 10.00 C ATOM 64 C TYR A 5 -6.717 -9.067 17.733 1.00 10.00 C ATOM 65 O TYR A 5 -7.082 -7.909 17.730 1.00 10.00 O ATOM 66 CB TYR A 5 -7.045 -10.193 15.502 1.00 10.00 C ATOM 67 CG TYR A 5 -7.610 -9.009 14.753 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.065 -7.734 14.942 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.679 -9.189 13.868 1.00 10.00 C ATOM 70 CE1 TYR A 5 -7.591 -6.639 14.245 1.00 50.00 C ATOM 71 CE2 TYR A 5 -9.204 -8.095 13.172 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.661 -6.819 13.361 1.00 50.00 C ATOM 73 OH TYR A 5 -9.179 -5.741 12.674 1.00 50.00 O ATOM 0 H TYR A 5 -9.238 -9.161 16.242 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.287 -11.095 17.473 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.957 -10.185 15.442 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.383 -11.120 15.040 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -6.240 -7.595 15.625 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.099 -10.173 13.722 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -7.171 -5.655 14.390 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -10.029 -8.235 12.489 1.00 50.00 H new ATOM 0 HH TYR A 5 -8.583 -5.509 11.931 1.00 50.00 H new ATOM 83 N LEU A 6 -5.651 -9.444 18.387 1.00 10.00 N ATOM 84 CA LEU A 6 -4.847 -8.449 19.155 1.00 10.00 C ATOM 85 C LEU A 6 -3.352 -8.714 18.950 1.00 10.00 C ATOM 86 O LEU A 6 -2.927 -9.844 18.809 1.00 10.00 O ATOM 87 CB LEU A 6 -5.233 -8.671 20.619 1.00 12.50 C ATOM 88 CG LEU A 6 -5.536 -7.327 21.282 1.00 12.50 C ATOM 89 CD1 LEU A 6 -5.794 -7.544 22.775 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.342 -6.387 21.104 1.00 50.00 C ATOM 0 H LEU A 6 -5.301 -10.401 18.423 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.039 -7.425 18.835 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.105 -9.322 20.680 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.422 -9.173 21.147 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.418 -6.885 20.819 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.010 -6.587 23.250 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.645 -8.213 22.904 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.911 -7.987 23.236 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.559 -5.429 21.577 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.459 -6.828 21.567 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.156 -6.233 20.041 1.00 50.00 H new ATOM 102 N ASN A 7 -2.549 -7.684 18.931 1.00 10.00 N ATOM 103 CA ASN A 7 -1.084 -7.885 18.732 1.00 10.00 C ATOM 104 C ASN A 7 -0.433 -8.388 20.024 1.00 10.00 C ATOM 105 O ASN A 7 -0.360 -7.682 21.010 1.00 10.00 O ATOM 106 CB ASN A 7 -0.538 -6.506 18.362 1.00 10.00 C ATOM 107 CG ASN A 7 0.917 -6.639 17.911 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.376 -7.724 17.611 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.669 -5.574 17.847 1.00 12.50 N ATOM 0 H ASN A 7 -2.843 -6.714 19.044 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.875 -8.627 17.962 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.138 -6.067 17.565 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.605 -5.835 19.218 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.640 -5.653 17.546 1.00 12.50 H new ATOM 0 HD22 ASN A 7 1.285 -4.663 18.098 1.00 12.50 H new ATOM 116 N TYR A 8 0.041 -9.604 20.024 1.00 50.00 N ATOM 117 CA TYR A 8 0.690 -10.151 21.250 1.00 50.00 C ATOM 118 C TYR A 8 1.855 -9.254 21.672 1.00 50.00 C ATOM 119 O TYR A 8 2.197 -9.167 22.834 1.00 50.00 O ATOM 120 CB TYR A 8 1.195 -11.537 20.847 1.00 50.00 C ATOM 121 CG TYR A 8 2.048 -12.107 21.954 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.411 -11.795 22.018 1.00 50.00 C ATOM 123 CD2 TYR A 8 1.476 -12.947 22.917 1.00 50.00 C ATOM 124 CE1 TYR A 8 4.203 -12.324 23.044 1.00 50.00 C ATOM 125 CE2 TYR A 8 2.268 -13.477 23.943 1.00 50.00 C ATOM 126 CZ TYR A 8 3.631 -13.164 24.006 1.00 50.00 C ATOM 127 OH TYR A 8 4.412 -13.686 25.018 1.00 50.00 O ATOM 0 H TYR A 8 0.007 -10.242 19.229 1.00 50.00 H new ATOM 0 HA TYR A 8 0.004 -10.200 22.096 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.352 -12.198 20.647 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.774 -11.471 19.926 1.00 50.00 H new ATOM 0 HD1 TYR A 8 3.852 -11.146 21.276 1.00 50.00 H new ATOM 0 HD2 TYR A 8 0.424 -13.186 22.869 1.00 50.00 H new ATOM 0 HE1 TYR A 8 5.255 -12.084 23.093 1.00 50.00 H new ATOM 0 HE2 TYR A 8 1.828 -14.127 24.685 1.00 50.00 H new ATOM 0 HH TYR A 8 4.698 -12.964 25.616 1.00 50.00 H new ATOM 137 N GLU A 9 2.463 -8.581 20.734 1.00 25.00 N ATOM 138 CA GLU A 9 3.604 -7.687 21.081 1.00 25.00 C ATOM 139 C GLU A 9 3.102 -6.488 21.889 1.00 25.00 C ATOM 140 O GLU A 9 3.730 -6.062 22.839 1.00 25.00 O ATOM 141 CB GLU A 9 4.175 -7.228 19.740 1.00 50.00 C ATOM 142 CG GLU A 9 5.691 -7.432 19.738 1.00 50.00 C ATOM 143 CD GLU A 9 6.345 -6.393 18.823 1.00 50.00 C ATOM 144 OE1 GLU A 9 5.835 -5.287 18.756 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.345 -6.722 18.208 1.00 50.00 O ATOM 0 H GLU A 9 2.220 -8.611 19.744 1.00 25.00 H new ATOM 0 HA GLU A 9 4.355 -8.192 21.689 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.720 -7.792 18.926 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.938 -6.178 19.571 1.00 50.00 H new ATOM 0 HG2 GLU A 9 6.083 -7.338 20.751 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.933 -8.438 19.395 1.00 50.00 H new ATOM 152 N THR A 10 1.975 -5.942 21.525 1.00 50.00 N ATOM 153 CA THR A 10 1.437 -4.775 22.280 1.00 50.00 C ATOM 154 C THR A 10 1.109 -5.193 23.714 1.00 50.00 C ATOM 155 O THR A 10 1.336 -4.456 24.654 1.00 50.00 O ATOM 156 CB THR A 10 0.167 -4.367 21.533 1.00 50.00 C ATOM 157 OG1 THR A 10 0.447 -4.266 20.145 1.00 50.00 O ATOM 158 CG2 THR A 10 -0.323 -3.015 22.056 1.00 50.00 C ATOM 0 H THR A 10 1.404 -6.252 20.739 1.00 50.00 H new ATOM 0 HA THR A 10 2.150 -3.953 22.340 1.00 50.00 H new ATOM 0 HB THR A 10 -0.606 -5.118 21.694 1.00 50.00 H new ATOM 0 HG1 THR A 10 -0.239 -3.716 19.712 1.00 50.00 H new ATOM 0 HG21 THR A 10 -1.228 -2.725 21.523 1.00 50.00 H new ATOM 0 HG22 THR A 10 -0.539 -3.094 23.122 1.00 50.00 H new ATOM 0 HG23 THR A 10 0.449 -2.262 21.897 1.00 50.00 H new ATOM 166 N LEU A 11 0.584 -6.375 23.889 1.00 50.00 N ATOM 167 CA LEU A 11 0.248 -6.846 25.262 1.00 50.00 C ATOM 168 C LEU A 11 1.534 -7.057 26.064 1.00 50.00 C ATOM 169 O LEU A 11 1.581 -6.823 27.255 1.00 50.00 O ATOM 170 CB LEU A 11 -0.485 -8.173 25.058 1.00 50.00 C ATOM 171 CG LEU A 11 -0.766 -8.819 26.415 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.361 -7.777 27.365 1.00 50.00 C ATOM 173 CD2 LEU A 11 -1.758 -9.971 26.235 1.00 50.00 C ATOM 0 H LEU A 11 0.373 -7.035 23.140 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.361 -6.130 25.813 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.420 -8.005 24.524 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.118 -8.842 24.443 1.00 50.00 H new ATOM 0 HG LEU A 11 0.164 -9.202 26.834 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -1.561 -8.238 28.332 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.655 -6.957 27.493 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -2.291 -7.393 26.947 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -1.959 -10.432 27.202 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -2.688 -9.588 25.815 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -1.334 -10.714 25.560 1.00 50.00 H new ATOM 185 N ASP A 12 2.580 -7.491 25.415 1.00 50.00 N ATOM 186 CA ASP A 12 3.868 -7.709 26.137 1.00 50.00 C ATOM 187 C ASP A 12 4.581 -6.370 26.338 1.00 50.00 C ATOM 188 O ASP A 12 4.966 -6.018 27.435 1.00 50.00 O ATOM 189 CB ASP A 12 4.687 -8.621 25.223 1.00 50.00 C ATOM 190 CG ASP A 12 4.768 -10.020 25.841 1.00 50.00 C ATOM 191 OD1 ASP A 12 5.463 -10.168 26.832 1.00 50.00 O ATOM 192 OD2 ASP A 12 4.135 -10.917 25.309 1.00 50.00 O ATOM 0 H ASP A 12 2.600 -7.704 24.418 1.00 50.00 H new ATOM 0 HA ASP A 12 3.724 -8.150 27.123 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.227 -8.673 24.236 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.689 -8.213 25.087 1.00 50.00 H new ATOM 197 N ASP A 13 4.753 -5.617 25.285 1.00 50.00 N ATOM 198 CA ASP A 13 5.434 -4.297 25.414 1.00 50.00 C ATOM 199 C ASP A 13 4.760 -3.468 26.510 1.00 50.00 C ATOM 200 O ASP A 13 5.398 -3.010 27.436 1.00 50.00 O ATOM 201 CB ASP A 13 5.258 -3.627 24.050 1.00 50.00 C ATOM 202 CG ASP A 13 6.614 -3.525 23.349 1.00 50.00 C ATOM 203 OD1 ASP A 13 7.619 -3.705 24.016 1.00 50.00 O ATOM 204 OD2 ASP A 13 6.625 -3.267 22.157 1.00 50.00 O ATOM 0 H ASP A 13 4.451 -5.859 24.341 1.00 50.00 H new ATOM 0 HA ASP A 13 6.485 -4.395 25.686 1.00 50.00 H new ATOM 0 HB2 ASP A 13 4.563 -4.202 23.438 1.00 50.00 H new ATOM 0 HB3 ASP A 13 4.826 -2.634 24.174 1.00 50.00 H new ATOM 209 N GLN A 14 3.473 -3.276 26.411 1.00 50.00 N ATOM 210 CA GLN A 14 2.756 -2.480 27.448 1.00 50.00 C ATOM 211 C GLN A 14 2.753 -3.234 28.781 1.00 50.00 C ATOM 212 O GLN A 14 2.756 -2.639 29.841 1.00 50.00 O ATOM 213 CB GLN A 14 1.331 -2.328 26.912 1.00 50.00 C ATOM 214 CG GLN A 14 0.877 -0.876 27.076 1.00 50.00 C ATOM 215 CD GLN A 14 0.462 -0.313 25.713 1.00 50.00 C ATOM 216 OE1 GLN A 14 1.133 0.539 25.166 1.00 50.00 O ATOM 217 NE2 GLN A 14 -0.624 -0.758 25.141 1.00 50.00 N ATOM 0 H GLN A 14 2.887 -3.636 25.657 1.00 50.00 H new ATOM 0 HA GLN A 14 3.227 -1.514 27.631 1.00 50.00 H new ATOM 0 HB2 GLN A 14 1.294 -2.616 25.861 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.656 -2.994 27.449 1.00 50.00 H new ATOM 0 HG2 GLN A 14 0.041 -0.822 27.773 1.00 50.00 H new ATOM 0 HG3 GLN A 14 1.684 -0.277 27.498 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -1.186 -1.474 25.602 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -0.910 -0.390 24.234 1.00 50.00 H new ATOM 226 N GLY A 15 2.747 -4.538 28.736 1.00 50.00 N ATOM 227 CA GLY A 15 2.744 -5.328 30.001 1.00 50.00 C ATOM 228 C GLY A 15 1.374 -5.208 30.669 1.00 50.00 C ATOM 229 O GLY A 15 1.264 -4.827 31.818 1.00 50.00 O ATOM 0 H GLY A 15 2.744 -5.091 27.879 1.00 50.00 H new ATOM 0 HA2 GLY A 15 2.968 -6.374 29.791 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.522 -4.964 30.672 1.00 50.00 H new ATOM 233 N TRP A 16 0.329 -5.526 29.958 1.00 50.00 N ATOM 234 CA TRP A 16 -1.035 -5.427 30.551 1.00 50.00 C ATOM 235 C TRP A 16 -1.647 -6.820 30.723 1.00 50.00 C ATOM 236 O TRP A 16 -1.052 -7.818 30.367 1.00 50.00 O ATOM 237 CB TRP A 16 -1.844 -4.610 29.543 1.00 50.00 C ATOM 238 CG TRP A 16 -1.598 -3.153 29.768 1.00 50.00 C ATOM 239 CD1 TRP A 16 -0.700 -2.641 30.642 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.239 -2.013 29.127 1.00 50.00 C ATOM 241 NE1 TRP A 16 -0.751 -1.261 30.578 1.00 50.00 N ATOM 242 CE2 TRP A 16 -1.684 -0.825 29.658 1.00 50.00 C ATOM 243 CE3 TRP A 16 -3.240 -1.896 28.146 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.105 0.435 29.231 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -3.667 -0.629 27.713 1.00 50.00 C ATOM 246 CH2 TRP A 16 -3.100 0.533 28.255 1.00 50.00 C ATOM 0 H TRP A 16 0.360 -5.850 28.991 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.021 -4.965 31.538 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.562 -4.884 28.527 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.906 -4.831 29.649 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -0.050 -3.217 31.284 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -0.170 -0.640 31.142 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -3.683 -2.785 27.723 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -1.665 1.327 29.652 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -4.436 -0.550 26.959 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -3.432 1.504 27.918 1.00 50.00 H new ATOM 257 N ASP A 17 -2.832 -6.891 31.263 1.00 50.00 N ATOM 258 CA ASP A 17 -3.488 -8.217 31.455 1.00 50.00 C ATOM 259 C ASP A 17 -4.685 -8.352 30.510 1.00 50.00 C ATOM 260 O ASP A 17 -5.473 -7.439 30.358 1.00 50.00 O ATOM 261 CB ASP A 17 -3.949 -8.225 32.913 1.00 50.00 C ATOM 262 CG ASP A 17 -2.732 -8.334 33.834 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.626 -8.369 33.319 1.00 50.00 O ATOM 264 OD2 ASP A 17 -2.926 -8.382 35.037 1.00 50.00 O ATOM 0 H ASP A 17 -3.376 -6.088 31.580 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.816 -9.047 31.238 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.505 -7.314 33.134 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.626 -9.062 33.087 1.00 50.00 H new ATOM 269 N MET A 18 -4.825 -9.480 29.872 1.00 50.00 N ATOM 270 CA MET A 18 -5.969 -9.670 28.933 1.00 50.00 C ATOM 271 C MET A 18 -7.296 -9.654 29.695 1.00 50.00 C ATOM 272 O MET A 18 -8.334 -9.339 29.147 1.00 50.00 O ATOM 273 CB MET A 18 -5.736 -11.042 28.299 1.00 50.00 C ATOM 274 CG MET A 18 -4.358 -11.071 27.637 1.00 50.00 C ATOM 275 SD MET A 18 -3.517 -12.616 28.061 1.00 50.00 S ATOM 276 CE MET A 18 -4.141 -13.601 26.677 1.00 50.00 C ATOM 0 H MET A 18 -4.198 -10.280 29.959 1.00 50.00 H new ATOM 0 HA MET A 18 -6.023 -8.876 28.188 1.00 50.00 H new ATOM 0 HB2 MET A 18 -5.803 -11.821 29.058 1.00 50.00 H new ATOM 0 HB3 MET A 18 -6.510 -11.249 27.560 1.00 50.00 H new ATOM 0 HG2 MET A 18 -4.461 -10.985 26.555 1.00 50.00 H new ATOM 0 HG3 MET A 18 -3.765 -10.219 27.969 1.00 50.00 H new ATOM 0 HE1 MET A 18 -3.740 -14.613 26.741 1.00 50.00 H new ATOM 0 HE2 MET A 18 -5.230 -13.638 26.719 1.00 50.00 H new ATOM 0 HE3 MET A 18 -3.829 -13.146 25.737 1.00 50.00 H new ATOM 286 N ASP A 19 -7.274 -9.995 30.954 1.00 50.00 N ATOM 287 CA ASP A 19 -8.538 -10.003 31.746 1.00 50.00 C ATOM 288 C ASP A 19 -8.673 -8.708 32.551 1.00 50.00 C ATOM 289 O ASP A 19 -9.738 -8.131 32.641 1.00 50.00 O ATOM 290 CB ASP A 19 -8.408 -11.205 32.683 1.00 50.00 C ATOM 291 CG ASP A 19 -9.599 -12.142 32.478 1.00 50.00 C ATOM 292 OD1 ASP A 19 -10.635 -11.889 33.071 1.00 50.00 O ATOM 293 OD2 ASP A 19 -9.455 -13.098 31.734 1.00 50.00 O ATOM 0 H ASP A 19 -6.437 -10.268 31.469 1.00 50.00 H new ATOM 0 HA ASP A 19 -9.421 -10.072 31.111 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -7.476 -11.735 32.485 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -8.370 -10.869 33.719 1.00 50.00 H new ATOM 298 N ASP A 20 -7.603 -8.248 33.139 1.00 50.00 N ATOM 299 CA ASP A 20 -7.674 -6.993 33.942 1.00 50.00 C ATOM 300 C ASP A 20 -7.679 -5.769 33.020 1.00 50.00 C ATOM 301 O ASP A 20 -8.582 -4.956 33.058 1.00 50.00 O ATOM 302 CB ASP A 20 -6.414 -7.006 34.807 1.00 50.00 C ATOM 303 CG ASP A 20 -6.802 -7.229 36.270 1.00 50.00 C ATOM 304 OD1 ASP A 20 -7.535 -8.169 36.531 1.00 50.00 O ATOM 305 OD2 ASP A 20 -6.358 -6.457 37.105 1.00 50.00 O ATOM 0 H ASP A 20 -6.683 -8.686 33.099 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.582 -6.940 34.542 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.740 -7.795 34.474 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.878 -6.063 34.702 1.00 50.00 H new ATOM 310 N ASP A 21 -6.675 -5.628 32.198 1.00 50.00 N ATOM 311 CA ASP A 21 -6.622 -4.453 31.279 1.00 50.00 C ATOM 312 C ASP A 21 -7.595 -4.636 30.113 1.00 50.00 C ATOM 313 O ASP A 21 -8.002 -3.682 29.479 1.00 50.00 O ATOM 314 CB ASP A 21 -5.181 -4.415 30.771 1.00 50.00 C ATOM 315 CG ASP A 21 -4.254 -3.956 31.897 1.00 50.00 C ATOM 316 OD1 ASP A 21 -4.702 -3.186 32.731 1.00 50.00 O ATOM 317 OD2 ASP A 21 -3.111 -4.380 31.907 1.00 50.00 O ATOM 0 H ASP A 21 -5.889 -6.274 32.122 1.00 50.00 H new ATOM 0 HA ASP A 21 -6.906 -3.528 31.781 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -4.882 -5.403 30.420 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -5.102 -3.737 29.921 1.00 50.00 H new ATOM 322 N ASP A 22 -7.969 -5.850 29.818 1.00 50.00 N ATOM 323 CA ASP A 22 -8.912 -6.082 28.685 1.00 50.00 C ATOM 324 C ASP A 22 -8.413 -5.354 27.436 1.00 50.00 C ATOM 325 O ASP A 22 -9.130 -4.592 26.818 1.00 50.00 O ATOM 326 CB ASP A 22 -10.246 -5.498 29.152 1.00 50.00 C ATOM 327 CG ASP A 22 -11.234 -6.633 29.428 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.439 -7.442 28.539 1.00 50.00 O ATOM 329 OD2 ASP A 22 -11.769 -6.673 30.524 1.00 50.00 O ATOM 0 H ASP A 22 -7.664 -6.690 30.310 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.001 -7.137 28.427 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.099 -4.903 30.053 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -10.648 -4.829 28.391 1.00 50.00 H new ATOM 334 N LEU A 23 -7.184 -5.582 27.062 1.00 50.00 N ATOM 335 CA LEU A 23 -6.630 -4.903 25.854 1.00 50.00 C ATOM 336 C LEU A 23 -7.615 -5.002 24.686 1.00 50.00 C ATOM 337 O LEU A 23 -7.688 -4.126 23.848 1.00 50.00 O ATOM 338 CB LEU A 23 -5.339 -5.656 25.534 1.00 50.00 C ATOM 339 CG LEU A 23 -4.243 -5.223 26.512 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.030 -6.317 27.560 1.00 50.00 C ATOM 341 CD2 LEU A 23 -2.941 -4.988 25.745 1.00 50.00 C ATOM 0 H LEU A 23 -6.538 -6.210 27.541 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.452 -3.841 26.025 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -5.504 -6.731 25.608 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.029 -5.451 24.509 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.543 -4.301 27.009 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.250 -6.008 28.255 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.958 -6.483 28.107 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.730 -7.241 27.066 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.160 -4.680 26.440 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -2.641 -5.910 25.247 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.093 -4.207 25.000 1.00 50.00 H new ATOM 353 N PHE A 24 -8.376 -6.061 24.624 1.00 50.00 N ATOM 354 CA PHE A 24 -9.355 -6.208 23.509 1.00 50.00 C ATOM 355 C PHE A 24 -10.390 -5.082 23.566 1.00 50.00 C ATOM 356 O PHE A 24 -11.154 -4.880 22.643 1.00 50.00 O ATOM 357 CB PHE A 24 -10.021 -7.564 23.740 1.00 50.00 C ATOM 358 CG PHE A 24 -9.203 -8.645 23.075 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.178 -8.746 21.679 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.468 -9.546 23.855 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.417 -9.747 21.062 1.00 50.00 C ATOM 362 CE2 PHE A 24 -7.708 -10.547 23.240 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.682 -10.647 21.844 1.00 50.00 C ATOM 0 H PHE A 24 -8.362 -6.829 25.295 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.879 -6.153 22.530 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.106 -7.762 24.808 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.033 -7.558 23.336 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.746 -8.052 21.077 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -8.488 -9.468 24.932 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.397 -9.825 19.985 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -7.142 -11.242 23.842 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.095 -11.419 21.369 1.00 50.00 H new ATOM 373 N GLU A 25 -10.421 -4.346 24.643 1.00 50.00 N ATOM 374 CA GLU A 25 -11.405 -3.233 24.761 1.00 50.00 C ATOM 375 C GLU A 25 -10.676 -1.896 24.923 1.00 50.00 C ATOM 376 O GLU A 25 -11.012 -0.914 24.290 1.00 50.00 O ATOM 377 CB GLU A 25 -12.220 -3.557 26.014 1.00 50.00 C ATOM 378 CG GLU A 25 -13.410 -4.442 25.636 1.00 50.00 C ATOM 379 CD GLU A 25 -12.914 -5.852 25.314 1.00 50.00 C ATOM 380 OE1 GLU A 25 -12.403 -6.500 26.213 1.00 50.00 O ATOM 381 OE2 GLU A 25 -13.052 -6.262 24.172 1.00 50.00 O ATOM 0 H GLU A 25 -9.806 -4.468 25.448 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.036 -3.143 23.877 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -11.593 -4.066 26.747 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -12.572 -2.636 26.480 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -14.127 -4.476 26.456 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -13.930 -4.022 24.775 1.00 50.00 H new ATOM 388 N LYS A 26 -9.682 -1.850 25.767 1.00 50.00 N ATOM 389 CA LYS A 26 -8.934 -0.576 25.968 1.00 50.00 C ATOM 390 C LYS A 26 -8.208 -0.177 24.682 1.00 50.00 C ATOM 391 O LYS A 26 -7.977 0.987 24.423 1.00 50.00 O ATOM 392 CB LYS A 26 -7.927 -0.879 27.078 1.00 50.00 C ATOM 393 CG LYS A 26 -8.674 -1.303 28.343 1.00 50.00 C ATOM 394 CD LYS A 26 -9.498 -0.124 28.867 1.00 50.00 C ATOM 395 CE LYS A 26 -10.890 -0.154 28.235 1.00 50.00 C ATOM 396 NZ LYS A 26 -11.760 -0.803 29.255 1.00 50.00 N ATOM 0 H LYS A 26 -9.355 -2.638 26.326 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.594 0.251 26.229 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -7.248 -1.671 26.761 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -7.317 0.002 27.281 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -9.326 -2.149 28.127 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -7.966 -1.632 29.103 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -9.579 -0.177 29.953 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -8.999 0.816 28.630 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -11.239 0.852 28.000 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -10.888 -0.717 27.302 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -12.734 -0.860 28.895 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -11.407 -1.761 29.453 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -11.747 -0.241 30.130 1.00 50.00 H new ATOM 410 N ALA A 27 -7.850 -1.134 23.872 1.00 50.00 N ATOM 411 CA ALA A 27 -7.141 -0.810 22.602 1.00 50.00 C ATOM 412 C ALA A 27 -8.007 0.109 21.737 1.00 50.00 C ATOM 413 O ALA A 27 -7.538 0.717 20.795 1.00 50.00 O ATOM 414 CB ALA A 27 -6.930 -2.157 21.912 1.00 50.00 C ATOM 0 H ALA A 27 -8.018 -2.127 24.034 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.199 -0.290 22.774 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.412 -2.004 20.965 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.331 -2.804 22.553 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.896 -2.625 21.725 1.00 50.00 H new ATOM 420 N ALA A 28 -9.270 0.214 22.050 1.00 50.00 N ATOM 421 CA ALA A 28 -10.169 1.092 21.248 1.00 50.00 C ATOM 422 C ALA A 28 -9.971 2.558 21.643 1.00 50.00 C ATOM 423 O ALA A 28 -10.296 3.460 20.897 1.00 50.00 O ATOM 424 CB ALA A 28 -11.585 0.629 21.594 1.00 50.00 C ATOM 0 H ALA A 28 -9.718 -0.271 22.827 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.967 1.023 20.179 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.309 1.228 21.042 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.701 -0.420 21.323 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.756 0.749 22.664 1.00 50.00 H new ATOM 430 N ASP A 29 -9.443 2.802 22.812 1.00 50.00 N ATOM 431 CA ASP A 29 -9.229 4.210 23.251 1.00 50.00 C ATOM 432 C ASP A 29 -7.745 4.578 23.155 1.00 50.00 C ATOM 433 O ASP A 29 -7.354 5.694 23.433 1.00 50.00 O ATOM 434 CB ASP A 29 -9.696 4.247 24.707 1.00 50.00 C ATOM 435 CG ASP A 29 -9.643 5.685 25.222 1.00 50.00 C ATOM 436 OD1 ASP A 29 -8.601 6.077 25.721 1.00 50.00 O ATOM 437 OD2 ASP A 29 -10.645 6.372 25.110 1.00 50.00 O ATOM 0 H ASP A 29 -9.151 2.089 23.480 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.772 4.921 22.629 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -10.712 3.859 24.784 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -9.062 3.606 25.320 1.00 50.00 H new ATOM 442 N ALA A 30 -6.916 3.649 22.766 1.00 50.00 N ATOM 443 CA ALA A 30 -5.460 3.949 22.653 1.00 50.00 C ATOM 444 C ALA A 30 -5.136 4.494 21.262 1.00 50.00 C ATOM 445 O ALA A 30 -4.416 5.461 21.115 1.00 50.00 O ATOM 446 CB ALA A 30 -4.760 2.609 22.880 1.00 50.00 C ATOM 0 H ALA A 30 -7.183 2.695 22.522 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.139 4.704 23.371 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.681 2.746 22.812 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.016 2.228 23.868 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.083 1.896 22.121 1.00 50.00 H new ATOM 452 N GLY A 31 -5.663 3.880 20.243 1.00 50.00 N ATOM 453 CA GLY A 31 -5.388 4.357 18.858 1.00 50.00 C ATOM 454 C GLY A 31 -4.319 3.472 18.216 1.00 50.00 C ATOM 455 O GLY A 31 -3.409 3.951 17.569 1.00 50.00 O ATOM 0 H GLY A 31 -6.274 3.066 20.308 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.302 4.330 18.265 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -5.052 5.394 18.879 1.00 50.00 H new ATOM 459 N LEU A 32 -4.419 2.183 18.391 1.00 50.00 N ATOM 460 CA LEU A 32 -3.407 1.267 17.790 1.00 50.00 C ATOM 461 C LEU A 32 -3.750 0.991 16.323 1.00 50.00 C ATOM 462 O LEU A 32 -4.769 1.424 15.822 1.00 50.00 O ATOM 463 CB LEU A 32 -3.498 -0.018 18.612 1.00 50.00 C ATOM 464 CG LEU A 32 -3.003 0.250 20.035 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.687 -0.718 21.004 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.488 0.042 20.093 1.00 50.00 C ATOM 0 H LEU A 32 -5.157 1.724 18.924 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.403 1.692 17.808 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.527 -0.375 18.635 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -2.899 -0.802 18.149 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.242 1.276 20.317 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -3.335 -0.528 22.018 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.766 -0.573 20.962 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -3.447 -1.744 20.723 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.133 0.232 21.106 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -1.251 -0.984 19.812 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -1.000 0.729 19.402 1.00 50.00 H new ATOM 478 N ASP A 33 -2.910 0.272 15.631 1.00 50.00 N ATOM 479 CA ASP A 33 -3.194 -0.030 14.198 1.00 50.00 C ATOM 480 C ASP A 33 -4.229 -1.154 14.094 1.00 50.00 C ATOM 481 O ASP A 33 -4.548 -1.809 15.066 1.00 50.00 O ATOM 482 CB ASP A 33 -1.854 -0.475 13.611 1.00 50.00 C ATOM 483 CG ASP A 33 -1.213 0.694 12.862 1.00 50.00 C ATOM 484 OD1 ASP A 33 -1.416 1.822 13.279 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.529 0.443 11.883 1.00 50.00 O ATOM 0 H ASP A 33 -2.041 -0.119 15.994 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.602 0.829 13.666 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.192 -0.818 14.406 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -2.003 -1.317 12.935 1.00 50.00 H new ATOM 490 N GLY A 34 -4.757 -1.381 12.922 1.00 50.00 N ATOM 491 CA GLY A 34 -5.772 -2.460 12.758 1.00 50.00 C ATOM 492 C GLY A 34 -5.070 -3.816 12.684 1.00 50.00 C ATOM 493 O GLY A 34 -5.604 -4.827 13.099 1.00 50.00 O ATOM 0 H GLY A 34 -4.529 -0.866 12.071 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.471 -2.446 13.594 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.355 -2.291 11.853 1.00 50.00 H new ATOM 497 N GLU A 35 -3.879 -3.849 12.154 1.00 50.00 N ATOM 498 CA GLU A 35 -3.144 -5.144 12.050 1.00 50.00 C ATOM 499 C GLU A 35 -2.769 -5.658 13.443 1.00 50.00 C ATOM 500 O GLU A 35 -2.346 -6.785 13.604 1.00 50.00 O ATOM 501 CB GLU A 35 -1.890 -4.821 11.238 1.00 50.00 C ATOM 502 CG GLU A 35 -2.290 -4.087 9.955 1.00 50.00 C ATOM 503 CD GLU A 35 -1.856 -2.621 10.044 1.00 50.00 C ATOM 504 OE1 GLU A 35 -1.326 -2.241 11.075 1.00 50.00 O ATOM 505 OE2 GLU A 35 -2.062 -1.904 9.078 1.00 50.00 O ATOM 0 H GLU A 35 -3.382 -3.037 11.788 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.745 -5.923 11.580 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.211 -4.204 11.827 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -1.355 -5.739 10.993 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -1.824 -4.563 9.092 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -3.369 -4.149 9.810 1.00 50.00 H new ATOM 512 N ASP A 36 -2.922 -4.843 14.450 1.00 50.00 N ATOM 513 CA ASP A 36 -2.575 -5.289 15.830 1.00 50.00 C ATOM 514 C ASP A 36 -3.850 -5.536 16.641 1.00 50.00 C ATOM 515 O ASP A 36 -3.974 -6.525 17.336 1.00 50.00 O ATOM 516 CB ASP A 36 -1.775 -4.129 16.427 1.00 50.00 C ATOM 517 CG ASP A 36 -0.419 -4.032 15.726 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.304 -4.550 14.627 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.481 -3.440 16.298 1.00 50.00 O ATOM 0 H ASP A 36 -3.272 -3.888 14.378 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.010 -6.221 15.836 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.325 -3.195 16.310 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.633 -4.283 17.497 1.00 50.00 H new ATOM 524 N TYR A 37 -4.800 -4.645 16.555 1.00 12.50 N ATOM 525 CA TYR A 37 -6.068 -4.831 17.320 1.00 12.50 C ATOM 526 C TYR A 37 -7.273 -4.512 16.429 1.00 12.50 C ATOM 527 O TYR A 37 -7.271 -3.550 15.686 1.00 12.50 O ATOM 528 CB TYR A 37 -5.979 -3.841 18.483 1.00 12.50 C ATOM 529 CG TYR A 37 -7.349 -3.654 19.092 1.00 12.50 C ATOM 530 CD1 TYR A 37 -7.965 -4.712 19.770 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.005 -2.422 18.976 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.235 -4.540 20.332 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.277 -2.250 19.537 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.891 -3.309 20.215 1.00 12.50 C ATOM 535 OH TYR A 37 -11.144 -3.139 20.768 1.00 50.00 O ATOM 0 H TYR A 37 -4.754 -3.797 15.989 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.195 -5.856 17.669 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.282 -4.210 19.236 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.592 -2.885 18.131 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.460 -5.662 19.860 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.530 -1.604 18.454 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.709 -5.357 20.856 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.784 -1.300 19.446 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.426 -3.972 21.201 1.00 50.00 H new ATOM 545 N GLY A 38 -8.301 -5.314 16.497 1.00 10.00 N ATOM 546 CA GLY A 38 -9.503 -5.058 15.656 1.00 10.00 C ATOM 547 C GLY A 38 -10.440 -6.266 15.724 1.00 10.00 C ATOM 548 O GLY A 38 -10.203 -7.206 16.457 1.00 10.00 O ATOM 0 H GLY A 38 -8.359 -6.135 17.099 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.020 -4.164 16.004 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.205 -4.873 14.624 1.00 10.00 H new ATOM 552 N THR A 39 -11.503 -6.248 14.967 1.00 10.00 N ATOM 553 CA THR A 39 -12.454 -7.397 14.990 1.00 10.00 C ATOM 554 C THR A 39 -12.288 -8.249 13.729 1.00 10.00 C ATOM 555 O THR A 39 -12.285 -7.745 12.624 1.00 10.00 O ATOM 556 CB THR A 39 -13.844 -6.760 15.028 1.00 50.00 C ATOM 557 OG1 THR A 39 -13.844 -5.686 15.963 1.00 50.00 O ATOM 558 CG2 THR A 39 -14.878 -7.812 15.441 1.00 50.00 C ATOM 0 H THR A 39 -11.754 -5.489 14.334 1.00 10.00 H new ATOM 0 HA THR A 39 -12.284 -8.056 15.841 1.00 10.00 H new ATOM 0 HB THR A 39 -14.100 -6.377 14.040 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.733 -5.274 15.988 1.00 50.00 H new ATOM 0 HG21 THR A 39 -15.868 -7.358 15.468 1.00 50.00 H new ATOM 0 HG22 THR A 39 -14.873 -8.629 14.720 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.629 -8.198 16.429 1.00 50.00 H new ATOM 566 N MET A 40 -12.151 -9.538 13.886 1.00 10.00 N ATOM 567 CA MET A 40 -11.988 -10.420 12.695 1.00 10.00 C ATOM 568 C MET A 40 -13.333 -11.037 12.302 1.00 10.00 C ATOM 569 O MET A 40 -14.096 -11.470 13.143 1.00 10.00 O ATOM 570 CB MET A 40 -11.012 -11.511 13.136 1.00 10.00 C ATOM 571 CG MET A 40 -9.904 -11.658 12.089 1.00 10.00 C ATOM 572 SD MET A 40 -10.614 -12.285 10.547 1.00 12.50 S ATOM 573 CE MET A 40 -10.440 -10.764 9.582 1.00 50.00 C ATOM 0 H MET A 40 -12.145 -10.018 14.786 1.00 10.00 H new ATOM 0 HA MET A 40 -11.623 -9.871 11.827 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.581 -11.258 14.105 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.539 -12.457 13.259 1.00 10.00 H new ATOM 0 HG2 MET A 40 -9.422 -10.696 11.916 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.134 -12.339 12.451 1.00 10.00 H new ATOM 0 HE1 MET A 40 -10.515 -10.996 8.520 1.00 50.00 H new ATOM 0 HE2 MET A 40 -11.231 -10.066 9.857 1.00 50.00 H new ATOM 0 HE3 MET A 40 -9.469 -10.312 9.787 1.00 50.00 H new ATOM 583 N GLU A 41 -13.629 -11.083 11.032 1.00 10.00 N ATOM 584 CA GLU A 41 -14.925 -11.674 10.591 1.00 10.00 C ATOM 585 C GLU A 41 -14.673 -12.801 9.585 1.00 10.00 C ATOM 586 O GLU A 41 -14.126 -12.585 8.522 1.00 10.00 O ATOM 587 CB GLU A 41 -15.689 -10.524 9.935 1.00 10.00 C ATOM 588 CG GLU A 41 -14.810 -9.867 8.868 1.00 10.00 C ATOM 589 CD GLU A 41 -14.440 -8.452 9.316 1.00 12.50 C ATOM 590 OE1 GLU A 41 -15.307 -7.770 9.837 1.00 12.50 O ATOM 591 OE2 GLU A 41 -13.295 -8.074 9.131 1.00 12.50 O ATOM 0 H GLU A 41 -13.031 -10.738 10.281 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.485 -12.107 11.420 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -16.609 -10.896 9.484 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -15.976 -9.789 10.687 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -13.908 -10.458 8.710 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -15.339 -9.832 7.916 1.00 10.00 H new ATOM 598 N VAL A 42 -15.064 -14.001 9.915 1.00 10.00 N ATOM 599 CA VAL A 42 -14.844 -15.141 8.979 1.00 10.00 C ATOM 600 C VAL A 42 -15.758 -16.312 9.350 1.00 10.00 C ATOM 601 O VAL A 42 -15.857 -16.696 10.499 1.00 10.00 O ATOM 602 CB VAL A 42 -13.374 -15.522 9.160 1.00 10.00 C ATOM 603 CG1 VAL A 42 -13.035 -15.565 10.652 1.00 10.00 C ATOM 604 CG2 VAL A 42 -13.122 -16.898 8.540 1.00 10.00 C ATOM 0 H VAL A 42 -15.526 -14.242 10.792 1.00 10.00 H new ATOM 0 HA VAL A 42 -15.071 -14.880 7.945 1.00 10.00 H new ATOM 0 HB VAL A 42 -12.745 -14.781 8.667 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.987 -15.837 10.779 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.212 -14.584 11.094 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -13.664 -16.305 11.147 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -12.074 -17.169 8.669 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -13.752 -17.639 9.032 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -13.360 -16.867 7.477 1.00 10.00 H new ATOM 614 N ALA A 43 -16.431 -16.880 8.386 1.00 10.00 N ATOM 615 CA ALA A 43 -17.344 -18.022 8.683 1.00 10.00 C ATOM 616 C ALA A 43 -16.537 -19.294 8.957 1.00 10.00 C ATOM 617 O ALA A 43 -15.340 -19.339 8.756 1.00 10.00 O ATOM 618 CB ALA A 43 -18.189 -18.190 7.421 1.00 50.00 C ATOM 0 H ALA A 43 -16.388 -16.603 7.405 1.00 10.00 H new ATOM 0 HA ALA A 43 -17.956 -17.839 9.566 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.889 -19.014 7.559 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -18.743 -17.271 7.229 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -17.538 -18.405 6.573 1.00 50.00 H new ATOM 624 N GLU A 44 -17.188 -20.330 9.412 1.00 10.00 N ATOM 625 CA GLU A 44 -16.464 -21.601 9.696 1.00 10.00 C ATOM 626 C GLU A 44 -15.964 -22.225 8.391 1.00 10.00 C ATOM 627 O GLU A 44 -16.731 -22.502 7.490 1.00 10.00 O ATOM 628 CB GLU A 44 -17.501 -22.507 10.360 1.00 10.00 C ATOM 629 CG GLU A 44 -18.108 -21.789 11.567 1.00 10.00 C ATOM 630 CD GLU A 44 -19.565 -21.429 11.268 1.00 25.00 C ATOM 631 OE1 GLU A 44 -19.856 -21.132 10.122 1.00 25.00 O ATOM 632 OE2 GLU A 44 -20.363 -21.458 12.190 1.00 25.00 O ATOM 0 H GLU A 44 -18.190 -20.351 9.599 1.00 10.00 H new ATOM 0 HA GLU A 44 -15.591 -21.447 10.331 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -18.283 -22.766 9.646 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -17.035 -23.441 10.675 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -18.054 -22.428 12.448 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -17.538 -20.887 11.791 1.00 10.00 H new ATOM 639 N GLY A 45 -14.683 -22.445 8.280 1.00 10.00 N ATOM 640 CA GLY A 45 -14.135 -23.047 7.033 1.00 10.00 C ATOM 641 C GLY A 45 -13.198 -22.046 6.355 1.00 10.00 C ATOM 642 O GLY A 45 -12.440 -22.389 5.470 1.00 10.00 O ATOM 0 H GLY A 45 -13.992 -22.234 9.000 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -13.597 -23.966 7.266 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -14.948 -23.316 6.358 1.00 10.00 H new ATOM 646 N GLU A 46 -13.244 -20.808 6.764 1.00 10.00 N ATOM 647 CA GLU A 46 -12.355 -19.785 6.145 1.00 10.00 C ATOM 648 C GLU A 46 -11.172 -19.482 7.069 1.00 10.00 C ATOM 649 O GLU A 46 -11.325 -18.876 8.111 1.00 10.00 O ATOM 650 CB GLU A 46 -13.235 -18.545 5.980 1.00 10.00 C ATOM 651 CG GLU A 46 -13.578 -18.356 4.501 1.00 10.00 C ATOM 652 CD GLU A 46 -12.304 -18.030 3.719 1.00 10.00 C ATOM 653 OE1 GLU A 46 -11.241 -18.059 4.317 1.00 10.00 O ATOM 654 OE2 GLU A 46 -12.413 -17.758 2.534 1.00 10.00 O ATOM 0 H GLU A 46 -13.859 -20.461 7.500 1.00 10.00 H new ATOM 0 HA GLU A 46 -11.938 -20.121 5.195 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.148 -18.654 6.565 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.716 -17.665 6.359 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -14.039 -19.261 4.105 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -14.304 -17.552 4.385 1.00 10.00 H new ATOM 661 N TYR A 47 -9.994 -19.903 6.698 1.00 10.00 N ATOM 662 CA TYR A 47 -8.805 -19.639 7.557 1.00 10.00 C ATOM 663 C TYR A 47 -8.731 -18.154 7.915 1.00 10.00 C ATOM 664 O TYR A 47 -8.703 -17.297 7.053 1.00 10.00 O ATOM 665 CB TYR A 47 -7.604 -20.048 6.703 1.00 10.00 C ATOM 666 CG TYR A 47 -7.820 -21.442 6.167 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.432 -22.412 6.969 1.00 10.00 C ATOM 668 CD2 TYR A 47 -7.411 -21.765 4.867 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.634 -23.706 6.472 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.613 -23.058 4.371 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.225 -24.028 5.173 1.00 10.00 C ATOM 672 OH TYR A 47 -8.425 -25.303 4.683 1.00 10.00 O ATOM 0 H TYR A 47 -9.803 -20.418 5.838 1.00 10.00 H new ATOM 0 HA TYR A 47 -8.842 -20.189 8.497 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -7.474 -19.346 5.879 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -6.692 -20.013 7.299 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.749 -22.163 7.971 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -6.940 -21.016 4.247 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -9.105 -24.455 7.091 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.296 -23.307 3.369 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.084 -25.358 3.766 1.00 10.00 H new ATOM 682 N ILE A 48 -8.702 -17.841 9.182 1.00 10.00 N ATOM 683 CA ILE A 48 -8.632 -16.410 9.594 1.00 10.00 C ATOM 684 C ILE A 48 -7.594 -15.665 8.751 1.00 10.00 C ATOM 685 O ILE A 48 -7.862 -14.613 8.207 1.00 10.00 O ATOM 686 CB ILE A 48 -8.211 -16.444 11.064 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.311 -17.107 11.896 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.987 -15.015 11.562 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.850 -17.228 13.349 1.00 10.00 C ATOM 0 H ILE A 48 -8.724 -18.513 9.949 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.580 -15.892 9.454 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.287 -17.014 11.164 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -10.227 -16.519 11.842 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.542 -18.093 11.493 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -7.687 -15.038 12.610 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.203 -14.542 10.970 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -8.911 -14.446 11.462 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.634 -17.700 13.941 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.946 -17.835 13.394 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -8.642 -16.235 13.748 1.00 10.00 H new ATOM 701 N LEU A 49 -6.409 -16.202 8.638 1.00 10.00 N ATOM 702 CA LEU A 49 -5.357 -15.521 7.829 1.00 10.00 C ATOM 703 C LEU A 49 -5.949 -15.011 6.512 1.00 10.00 C ATOM 704 O LEU A 49 -5.785 -13.862 6.151 1.00 10.00 O ATOM 705 CB LEU A 49 -4.303 -16.596 7.561 1.00 10.00 C ATOM 706 CG LEU A 49 -3.367 -16.129 6.444 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.923 -16.477 6.809 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.743 -16.830 5.136 1.00 10.00 C ATOM 0 H LEU A 49 -6.124 -17.081 9.070 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.936 -14.657 8.344 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.732 -16.795 8.468 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.786 -17.531 7.277 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.462 -15.050 6.320 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -1.256 -16.144 6.013 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.653 -15.979 7.740 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.829 -17.556 6.934 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -3.076 -16.497 4.340 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.649 -17.909 5.261 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.772 -16.584 4.874 1.00 10.00 H new ATOM 720 N GLU A 50 -6.635 -15.856 5.792 1.00 10.00 N ATOM 721 CA GLU A 50 -7.235 -15.420 4.498 1.00 10.00 C ATOM 722 C GLU A 50 -8.332 -14.380 4.748 1.00 10.00 C ATOM 723 O GLU A 50 -8.407 -13.369 4.077 1.00 10.00 O ATOM 724 CB GLU A 50 -7.829 -16.689 3.891 1.00 10.00 C ATOM 725 CG GLU A 50 -7.096 -17.025 2.591 1.00 10.00 C ATOM 726 CD GLU A 50 -8.089 -17.007 1.426 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.825 -16.040 1.316 1.00 50.00 O ATOM 728 OE2 GLU A 50 -8.096 -17.961 0.665 1.00 50.00 O ATOM 0 H GLU A 50 -6.806 -16.830 6.043 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.502 -14.956 3.838 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.741 -17.517 4.595 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.892 -16.548 3.695 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -6.298 -16.304 2.414 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -6.627 -18.006 2.668 1.00 10.00 H new ATOM 735 N ALA A 51 -9.184 -14.622 5.706 1.00 10.00 N ATOM 736 CA ALA A 51 -10.275 -13.649 5.997 1.00 10.00 C ATOM 737 C ALA A 51 -9.691 -12.262 6.255 1.00 10.00 C ATOM 738 O ALA A 51 -10.063 -11.291 5.627 1.00 10.00 O ATOM 739 CB ALA A 51 -10.961 -14.185 7.253 1.00 12.50 C ATOM 0 H ALA A 51 -9.172 -15.451 6.300 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.971 -13.549 5.164 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.779 -13.521 7.532 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.354 -15.182 7.055 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.239 -14.235 8.069 1.00 12.50 H new ATOM 745 N ALA A 52 -8.781 -12.167 7.178 1.00 10.00 N ATOM 746 CA ALA A 52 -8.166 -10.844 7.487 1.00 10.00 C ATOM 747 C ALA A 52 -7.231 -10.413 6.355 1.00 10.00 C ATOM 748 O ALA A 52 -7.019 -9.238 6.128 1.00 10.00 O ATOM 749 CB ALA A 52 -7.383 -11.062 8.783 1.00 10.00 C ATOM 0 H ALA A 52 -8.433 -12.948 7.735 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.913 -10.057 7.592 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.900 -10.130 9.077 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.065 -11.381 9.571 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.625 -11.830 8.626 1.00 10.00 H new ATOM 755 N GLU A 53 -6.671 -11.350 5.642 1.00 10.00 N ATOM 756 CA GLU A 53 -5.755 -10.983 4.523 1.00 10.00 C ATOM 757 C GLU A 53 -6.514 -10.172 3.473 1.00 10.00 C ATOM 758 O GLU A 53 -5.949 -9.346 2.783 1.00 10.00 O ATOM 759 CB GLU A 53 -5.284 -12.315 3.938 1.00 10.00 C ATOM 760 CG GLU A 53 -4.428 -12.051 2.698 1.00 10.00 C ATOM 761 CD GLU A 53 -3.304 -13.086 2.622 1.00 10.00 C ATOM 762 OE1 GLU A 53 -3.608 -14.267 2.670 1.00 10.00 O ATOM 763 OE2 GLU A 53 -2.158 -12.680 2.518 1.00 10.00 O ATOM 0 H GLU A 53 -6.806 -12.351 5.784 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.917 -10.371 4.857 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.708 -12.867 4.680 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -6.142 -12.934 3.676 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -5.044 -12.102 1.800 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -4.009 -11.046 2.740 1.00 10.00 H new ATOM 770 N ALA A 54 -7.792 -10.398 3.352 1.00 10.00 N ATOM 771 CA ALA A 54 -8.592 -9.635 2.351 1.00 10.00 C ATOM 772 C ALA A 54 -8.874 -8.225 2.874 1.00 10.00 C ATOM 773 O ALA A 54 -9.397 -7.383 2.171 1.00 10.00 O ATOM 774 CB ALA A 54 -9.894 -10.424 2.203 1.00 50.00 C ATOM 0 H ALA A 54 -8.318 -11.077 3.902 1.00 10.00 H new ATOM 0 HA ALA A 54 -8.073 -9.525 1.399 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.541 -9.926 1.481 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.671 -11.433 1.856 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.400 -10.476 3.167 1.00 50.00 H new ATOM 780 N GLN A 55 -8.532 -7.964 4.106 1.00 10.00 N ATOM 781 CA GLN A 55 -8.778 -6.611 4.681 1.00 10.00 C ATOM 782 C GLN A 55 -7.467 -5.825 4.755 1.00 10.00 C ATOM 783 O GLN A 55 -7.450 -4.615 4.645 1.00 10.00 O ATOM 784 CB GLN A 55 -9.328 -6.875 6.082 1.00 10.00 C ATOM 785 CG GLN A 55 -10.766 -7.385 5.977 1.00 10.00 C ATOM 786 CD GLN A 55 -11.585 -6.417 5.121 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.796 -6.655 3.948 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.056 -5.327 5.661 1.00 10.00 N ATOM 0 H GLN A 55 -8.092 -8.631 4.740 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.467 -6.021 4.077 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.707 -7.609 6.596 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.297 -5.961 6.675 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.779 -8.381 5.534 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.206 -7.472 6.970 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -11.879 -5.128 6.646 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.602 -4.674 5.099 1.00 10.00 H new ATOM 797 N GLY A 56 -6.368 -6.503 4.938 1.00 10.00 N ATOM 798 CA GLY A 56 -5.058 -5.795 5.017 1.00 10.00 C ATOM 799 C GLY A 56 -4.296 -6.260 6.260 1.00 10.00 C ATOM 800 O GLY A 56 -3.214 -5.786 6.548 1.00 10.00 O ATOM 0 H GLY A 56 -6.320 -7.517 5.036 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.470 -5.996 4.121 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.218 -4.718 5.058 1.00 10.00 H new ATOM 804 N TYR A 57 -4.848 -7.184 6.999 1.00 10.00 N ATOM 805 CA TYR A 57 -4.149 -7.678 8.221 1.00 10.00 C ATOM 806 C TYR A 57 -3.010 -8.622 7.828 1.00 10.00 C ATOM 807 O TYR A 57 -3.153 -9.448 6.949 1.00 10.00 O ATOM 808 CB TYR A 57 -5.223 -8.427 9.012 1.00 10.00 C ATOM 809 CG TYR A 57 -6.362 -7.488 9.327 1.00 10.00 C ATOM 810 CD1 TYR A 57 -6.117 -6.284 9.999 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.666 -7.823 8.948 1.00 10.00 C ATOM 812 CE1 TYR A 57 -7.177 -5.418 10.291 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.725 -6.959 9.239 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.482 -5.756 9.911 1.00 12.50 C ATOM 815 OH TYR A 57 -9.528 -4.902 10.199 1.00 12.50 O ATOM 0 H TYR A 57 -5.752 -7.618 6.810 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.705 -6.870 8.803 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.587 -9.278 8.436 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.800 -8.825 9.934 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -5.111 -6.024 10.292 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.855 -8.751 8.429 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.989 -4.489 10.809 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.731 -7.220 8.945 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.973 -5.196 11.021 1.00 12.50 H new ATOM 825 N ASP A 58 -1.877 -8.504 8.467 1.00 10.00 N ATOM 826 CA ASP A 58 -0.731 -9.394 8.118 1.00 10.00 C ATOM 827 C ASP A 58 -0.463 -10.393 9.246 1.00 10.00 C ATOM 828 O ASP A 58 -0.481 -10.051 10.412 1.00 10.00 O ATOM 829 CB ASP A 58 0.462 -8.453 7.941 1.00 10.00 C ATOM 830 CG ASP A 58 0.552 -7.512 9.144 1.00 10.00 C ATOM 831 OD1 ASP A 58 -0.148 -7.752 10.114 1.00 10.00 O ATOM 832 OD2 ASP A 58 1.320 -6.566 9.076 1.00 10.00 O ATOM 0 H ASP A 58 -1.695 -7.833 9.213 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.927 -9.980 7.220 1.00 10.00 H new ATOM 0 HB2 ASP A 58 1.382 -9.029 7.847 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.351 -7.877 7.022 1.00 10.00 H new ATOM 837 N TRP A 59 -0.209 -11.628 8.905 1.00 10.00 N ATOM 838 CA TRP A 59 0.068 -12.655 9.950 1.00 10.00 C ATOM 839 C TRP A 59 1.327 -13.443 9.581 1.00 10.00 C ATOM 840 O TRP A 59 1.566 -13.722 8.423 1.00 10.00 O ATOM 841 CB TRP A 59 -1.154 -13.576 9.945 1.00 10.00 C ATOM 842 CG TRP A 59 -2.403 -12.757 10.037 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.843 -11.904 9.085 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.378 -12.702 11.118 1.00 10.00 C ATOM 845 NE1 TRP A 59 -4.021 -11.324 9.515 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.393 -11.784 10.761 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.479 -13.349 12.362 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.470 -11.518 11.607 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.564 -13.084 13.216 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.556 -12.170 12.839 1.00 50.00 C ATOM 0 H TRP A 59 -0.181 -11.971 7.945 1.00 10.00 H new ATOM 0 HA TRP A 59 0.236 -12.211 10.931 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.166 -14.175 9.034 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.101 -14.271 10.783 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.354 -11.708 8.142 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.551 -10.639 8.976 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.718 -14.054 12.664 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.232 -10.812 11.311 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.633 -13.588 14.169 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.386 -11.970 13.500 1.00 50.00 H new ATOM 861 N PRO A 60 2.093 -13.777 10.582 1.00 10.00 N ATOM 862 CA PRO A 60 3.342 -14.542 10.359 1.00 10.00 C ATOM 863 C PRO A 60 3.016 -15.983 9.962 1.00 10.00 C ATOM 864 O PRO A 60 2.186 -16.633 10.567 1.00 10.00 O ATOM 865 CB PRO A 60 4.042 -14.490 11.714 1.00 10.00 C ATOM 866 CG PRO A 60 2.944 -14.272 12.706 1.00 10.00 C ATOM 867 CD PRO A 60 1.873 -13.479 12.004 1.00 10.00 C ATOM 0 HA PRO A 60 3.958 -14.138 9.556 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.580 -15.416 11.917 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.773 -13.683 11.750 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.550 -15.224 13.061 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.313 -13.734 13.579 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.876 -13.780 12.326 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.966 -12.412 12.208 1.00 10.00 H new ATOM 875 N PHE A 61 3.665 -16.489 8.949 1.00 10.00 N ATOM 876 CA PHE A 61 3.393 -17.887 8.512 1.00 10.00 C ATOM 877 C PHE A 61 4.573 -18.421 7.701 1.00 10.00 C ATOM 878 O PHE A 61 5.280 -17.679 7.048 1.00 10.00 O ATOM 879 CB PHE A 61 2.138 -17.800 7.644 1.00 10.00 C ATOM 880 CG PHE A 61 2.347 -16.784 6.546 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.274 -17.033 5.526 1.00 10.00 C ATOM 882 CD2 PHE A 61 1.610 -15.593 6.547 1.00 10.00 C ATOM 883 CE1 PHE A 61 3.464 -16.091 4.508 1.00 10.00 C ATOM 884 CE2 PHE A 61 1.801 -14.651 5.529 1.00 10.00 C ATOM 885 CZ PHE A 61 2.728 -14.900 4.510 1.00 10.00 C ATOM 0 H PHE A 61 4.372 -15.994 8.405 1.00 10.00 H new ATOM 0 HA PHE A 61 3.253 -18.563 9.355 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.915 -18.776 7.212 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.281 -17.518 8.255 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.842 -17.952 5.525 1.00 10.00 H new ATOM 0 HD2 PHE A 61 0.894 -15.401 7.333 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.178 -16.283 3.721 1.00 10.00 H new ATOM 0 HE2 PHE A 61 1.233 -13.732 5.530 1.00 10.00 H new ATOM 0 HZ PHE A 61 2.875 -14.173 3.725 1.00 10.00 H new ATOM 895 N SER A 62 4.796 -19.704 7.741 1.00 10.00 N ATOM 896 CA SER A 62 5.935 -20.287 6.981 1.00 10.00 C ATOM 897 C SER A 62 5.500 -21.572 6.273 1.00 10.00 C ATOM 898 O SER A 62 5.597 -21.695 5.069 1.00 10.00 O ATOM 899 CB SER A 62 6.995 -20.592 8.038 1.00 10.00 C ATOM 900 OG SER A 62 6.362 -20.857 9.280 1.00 10.00 O ATOM 0 H SER A 62 4.238 -20.375 8.268 1.00 10.00 H new ATOM 0 HA SER A 62 6.306 -19.612 6.210 1.00 10.00 H new ATOM 0 HB2 SER A 62 7.593 -21.451 7.732 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.677 -19.748 8.138 1.00 10.00 H new ATOM 0 HG SER A 62 6.931 -21.447 9.818 1.00 10.00 H new ATOM 906 N CYS A 63 5.037 -22.537 7.018 1.00 10.00 N ATOM 907 CA CYS A 63 4.611 -23.821 6.396 1.00 10.00 C ATOM 908 C CYS A 63 3.238 -23.665 5.707 1.00 10.00 C ATOM 909 O CYS A 63 3.004 -24.213 4.648 1.00 10.00 O ATOM 910 CB CYS A 63 4.590 -24.821 7.566 1.00 10.00 C ATOM 911 SG CYS A 63 2.969 -24.855 8.370 1.00 10.00 S ATOM 0 H CYS A 63 4.935 -22.491 8.032 1.00 10.00 H new ATOM 0 HA CYS A 63 5.279 -24.161 5.604 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.838 -25.817 7.201 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.354 -24.549 8.294 1.00 10.00 H new ATOM 0 HG CYS A 63 3.055 -24.304 9.544 1.00 10.00 H new ATOM 916 N ARG A 64 2.344 -22.903 6.284 1.00 10.00 N ATOM 917 CA ARG A 64 1.002 -22.687 5.646 1.00 10.00 C ATOM 918 C ARG A 64 0.279 -24.014 5.368 1.00 10.00 C ATOM 919 O ARG A 64 -0.488 -24.129 4.432 1.00 10.00 O ATOM 920 CB ARG A 64 1.307 -21.963 4.335 1.00 10.00 C ATOM 921 CG ARG A 64 2.091 -20.682 4.634 1.00 10.00 C ATOM 922 CD ARG A 64 1.400 -19.492 3.966 1.00 10.00 C ATOM 923 NE ARG A 64 1.866 -19.527 2.551 1.00 10.00 N ATOM 924 CZ ARG A 64 1.023 -19.800 1.593 1.00 10.00 C ATOM 925 NH1 ARG A 64 0.901 -21.025 1.163 1.00 10.00 N ATOM 926 NH2 ARG A 64 0.302 -18.848 1.068 1.00 10.00 N ATOM 0 H ARG A 64 2.482 -22.419 7.171 1.00 10.00 H new ATOM 0 HA ARG A 64 0.339 -22.119 6.299 1.00 10.00 H new ATOM 0 HB2 ARG A 64 1.884 -22.610 3.675 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.380 -21.722 3.815 1.00 10.00 H new ATOM 0 HG2 ARG A 64 2.152 -20.523 5.711 1.00 10.00 H new ATOM 0 HG3 ARG A 64 3.113 -20.775 4.267 1.00 10.00 H new ATOM 0 HD2 ARG A 64 0.315 -19.579 4.028 1.00 10.00 H new ATOM 0 HD3 ARG A 64 1.673 -18.554 4.449 1.00 10.00 H new ATOM 0 HE ARG A 64 2.844 -19.338 2.331 1.00 10.00 H new ATOM 0 HH11 ARG A 64 1.464 -21.769 1.575 1.00 10.00 H new ATOM 0 HH12 ARG A 64 0.242 -21.239 0.414 1.00 10.00 H new ATOM 0 HH21 ARG A 64 0.397 -17.890 1.406 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -0.357 -19.061 0.319 1.00 10.00 H new ATOM 940 N ALA A 65 0.509 -25.006 6.176 1.00 10.00 N ATOM 941 CA ALA A 65 -0.165 -26.319 5.976 1.00 10.00 C ATOM 942 C ALA A 65 -0.617 -26.896 7.326 1.00 10.00 C ATOM 943 O ALA A 65 -1.154 -27.983 7.395 1.00 10.00 O ATOM 944 CB ALA A 65 0.897 -27.216 5.339 1.00 10.00 C ATOM 0 H ALA A 65 1.141 -24.965 6.975 1.00 10.00 H new ATOM 0 HA ALA A 65 -1.056 -26.235 5.353 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.477 -28.206 5.159 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.220 -26.782 4.393 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.752 -27.301 6.010 1.00 10.00 H new ATOM 950 N GLY A 66 -0.410 -26.174 8.399 1.00 10.00 N ATOM 951 CA GLY A 66 -0.836 -26.683 9.735 1.00 10.00 C ATOM 952 C GLY A 66 0.203 -27.669 10.283 1.00 10.00 C ATOM 953 O GLY A 66 -0.139 -28.667 10.885 1.00 10.00 O ATOM 0 H GLY A 66 0.035 -25.256 8.406 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.958 -25.850 10.427 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.806 -27.174 9.653 1.00 10.00 H new ATOM 957 N ALA A 67 1.467 -27.411 10.075 1.00 10.00 N ATOM 958 CA ALA A 67 2.509 -28.354 10.583 1.00 10.00 C ATOM 959 C ALA A 67 3.577 -27.624 11.411 1.00 10.00 C ATOM 960 O ALA A 67 4.553 -28.217 11.825 1.00 10.00 O ATOM 961 CB ALA A 67 3.136 -28.954 9.326 1.00 10.00 C ATOM 0 H ALA A 67 1.823 -26.594 9.579 1.00 10.00 H new ATOM 0 HA ALA A 67 2.078 -29.108 11.242 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.915 -29.661 9.610 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.370 -29.471 8.748 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.571 -28.158 8.721 1.00 10.00 H new ATOM 967 N CYS A 68 3.408 -26.354 11.670 1.00 10.00 N ATOM 968 CA CYS A 68 4.431 -25.627 12.484 1.00 10.00 C ATOM 969 C CYS A 68 3.743 -24.636 13.440 1.00 10.00 C ATOM 970 O CYS A 68 2.534 -24.616 13.553 1.00 10.00 O ATOM 971 CB CYS A 68 5.350 -24.930 11.462 1.00 10.00 C ATOM 972 SG CYS A 68 4.757 -23.265 11.066 1.00 10.00 S ATOM 0 H CYS A 68 2.616 -25.792 11.358 1.00 10.00 H new ATOM 0 HA CYS A 68 5.013 -26.291 13.123 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.362 -24.872 11.862 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.401 -25.526 10.551 1.00 10.00 H new ATOM 0 HG CYS A 68 5.553 -22.716 10.197 1.00 10.00 H new ATOM 977 N ALA A 69 4.498 -23.834 14.148 1.00 10.00 N ATOM 978 CA ALA A 69 3.863 -22.878 15.109 1.00 10.00 C ATOM 979 C ALA A 69 4.282 -21.429 14.825 1.00 10.00 C ATOM 980 O ALA A 69 4.031 -20.540 15.614 1.00 10.00 O ATOM 981 CB ALA A 69 4.371 -23.316 16.483 1.00 25.00 C ATOM 0 H ALA A 69 5.516 -23.799 14.104 1.00 10.00 H new ATOM 0 HA ALA A 69 2.776 -22.898 15.033 1.00 10.00 H new ATOM 0 HB1 ALA A 69 3.952 -22.665 17.250 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.065 -24.345 16.673 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.459 -23.251 16.506 1.00 25.00 H new ATOM 987 N ASN A 70 4.913 -21.180 13.714 1.00 10.00 N ATOM 988 CA ASN A 70 5.339 -19.785 13.398 1.00 10.00 C ATOM 989 C ASN A 70 4.127 -18.850 13.404 1.00 10.00 C ATOM 990 O ASN A 70 4.198 -17.727 13.863 1.00 10.00 O ATOM 991 CB ASN A 70 5.937 -19.865 11.994 1.00 50.00 C ATOM 992 CG ASN A 70 7.388 -20.342 12.079 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.665 -21.513 11.913 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.331 -19.477 12.330 1.00 50.00 N ATOM 0 H ASN A 70 5.153 -21.878 13.011 1.00 10.00 H new ATOM 0 HA ASN A 70 6.050 -19.395 14.127 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.354 -20.550 11.378 1.00 50.00 H new ATOM 0 HB3 ASN A 70 5.893 -18.888 11.513 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.302 -19.783 12.387 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.097 -18.494 12.469 1.00 50.00 H new ATOM 1001 N CYS A 71 3.014 -19.304 12.899 1.00 10.00 N ATOM 1002 CA CYS A 71 1.794 -18.444 12.876 1.00 10.00 C ATOM 1003 C CYS A 71 1.012 -18.607 14.186 1.00 10.00 C ATOM 1004 O CYS A 71 -0.116 -18.171 14.308 1.00 10.00 O ATOM 1005 CB CYS A 71 0.977 -18.966 11.689 1.00 10.00 C ATOM 1006 SG CYS A 71 0.239 -20.564 12.118 1.00 10.00 S ATOM 0 H CYS A 71 2.895 -20.235 12.500 1.00 10.00 H new ATOM 0 HA CYS A 71 2.028 -17.384 12.778 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.196 -18.251 11.429 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.616 -19.072 10.813 1.00 10.00 H new ATOM 0 HG CYS A 71 -0.281 -21.101 11.054 1.00 10.00 H new ATOM 1011 N ALA A 72 1.602 -19.244 15.157 1.00 10.00 N ATOM 1012 CA ALA A 72 0.901 -19.458 16.458 1.00 10.00 C ATOM 1013 C ALA A 72 0.162 -18.193 16.911 1.00 10.00 C ATOM 1014 O ALA A 72 0.510 -17.085 16.550 1.00 10.00 O ATOM 1015 CB ALA A 72 2.010 -19.809 17.448 1.00 10.00 C ATOM 0 H ALA A 72 2.545 -19.629 15.108 1.00 10.00 H new ATOM 0 HA ALA A 72 0.145 -20.240 16.381 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.577 -19.982 18.433 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.524 -20.710 17.114 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.722 -18.985 17.504 1.00 10.00 H new ATOM 1021 N SER A 73 -0.855 -18.367 17.712 1.00 10.00 N ATOM 1022 CA SER A 73 -1.638 -17.204 18.220 1.00 10.00 C ATOM 1023 C SER A 73 -1.992 -17.432 19.690 1.00 10.00 C ATOM 1024 O SER A 73 -1.402 -18.255 20.359 1.00 10.00 O ATOM 1025 CB SER A 73 -2.903 -17.171 17.362 1.00 50.00 C ATOM 1026 OG SER A 73 -2.572 -16.758 16.045 1.00 50.00 O ATOM 0 H SER A 73 -1.180 -19.277 18.040 1.00 10.00 H new ATOM 0 HA SER A 73 -1.086 -16.266 18.159 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.366 -18.158 17.339 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.632 -16.487 17.796 1.00 50.00 H new ATOM 0 HG SER A 73 -3.111 -17.261 15.399 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.950 -16.712 20.196 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.342 -16.894 21.622 1.00 10.00 C ATOM 1034 C ILE A 74 -4.830 -16.584 21.807 1.00 10.00 C ATOM 1035 O ILE A 74 -5.200 -15.530 22.286 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.482 -15.901 22.403 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -1.033 -16.393 22.431 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.009 -15.783 23.834 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.970 -17.753 23.131 1.00 10.00 C ATOM 0 H ILE A 74 -3.480 -16.005 19.686 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.189 -17.918 21.964 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.525 -14.925 21.920 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.646 -16.476 21.415 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.403 -15.673 22.954 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.395 -15.075 24.391 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -4.041 -15.432 23.814 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.967 -16.758 24.319 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.062 -18.104 23.151 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.340 -17.654 24.152 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.587 -18.470 22.589 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.685 -17.494 21.426 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.152 -17.252 21.576 1.00 10.00 C ATOM 1053 C VAL A 75 -7.465 -16.759 22.992 1.00 10.00 C ATOM 1054 O VAL A 75 -7.210 -17.439 23.966 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.805 -18.611 21.324 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.231 -19.642 22.296 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.316 -18.496 21.535 1.00 50.00 C ATOM 0 H VAL A 75 -5.433 -18.394 21.018 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.518 -16.490 20.887 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.603 -18.927 20.301 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.697 -20.611 22.116 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -6.154 -19.724 22.146 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.432 -19.328 23.320 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.783 -19.464 21.356 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.517 -18.180 22.559 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.725 -17.762 20.841 1.00 50.00 H new ATOM 1067 N LYS A 76 -8.018 -15.581 23.114 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.347 -15.048 24.467 1.00 10.00 C ATOM 1069 C LYS A 76 -9.741 -15.515 24.899 1.00 10.00 C ATOM 1070 O LYS A 76 -10.132 -15.365 26.039 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.316 -13.528 24.310 1.00 25.00 C ATOM 1072 CG LYS A 76 -7.909 -12.885 25.637 1.00 25.00 C ATOM 1073 CD LYS A 76 -8.914 -11.792 26.004 1.00 50.00 C ATOM 1074 CE LYS A 76 -9.867 -12.316 27.081 1.00 50.00 C ATOM 1075 NZ LYS A 76 -10.905 -11.254 27.239 1.00 50.00 N ATOM 0 H LYS A 76 -8.256 -14.966 22.336 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.648 -15.395 25.228 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.612 -13.247 23.527 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -9.296 -13.164 24.003 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -7.873 -13.639 26.423 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -6.908 -12.461 25.556 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -8.390 -10.908 26.366 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -9.477 -11.489 25.121 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -10.316 -13.263 26.782 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -9.341 -12.494 28.019 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -11.593 -11.546 27.963 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -10.451 -10.365 27.531 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -11.395 -11.110 26.333 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.494 -16.078 23.994 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.861 -16.552 24.353 1.00 10.00 C ATOM 1091 C GLU A 77 -12.575 -17.093 23.111 1.00 10.00 C ATOM 1092 O GLU A 77 -12.405 -16.593 22.017 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.583 -15.315 24.888 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.268 -15.657 26.213 1.00 10.00 C ATOM 1095 CD GLU A 77 -12.656 -14.816 27.335 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -11.684 -15.263 27.923 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -13.169 -13.739 27.588 1.00 25.00 O ATOM 0 H GLU A 77 -10.222 -16.230 23.023 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.839 -17.359 25.085 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.873 -14.501 25.033 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.321 -14.970 24.164 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -14.338 -15.464 26.142 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.149 -16.718 26.433 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.375 -18.112 23.272 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.098 -18.682 22.101 1.00 10.00 C ATOM 1106 C GLY A 78 -13.423 -19.985 21.669 1.00 10.00 C ATOM 1107 O GLY A 78 -12.535 -20.485 22.331 1.00 10.00 O ATOM 0 H GLY A 78 -13.559 -18.573 24.163 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.140 -18.868 22.359 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.096 -17.969 21.277 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.838 -20.540 20.563 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.221 -21.811 20.088 1.00 10.00 C ATOM 1113 C GLU A 79 -12.895 -21.712 18.595 1.00 10.00 C ATOM 1114 O GLU A 79 -13.451 -20.899 17.882 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.283 -22.882 20.337 1.00 25.00 C ATOM 1116 CG GLU A 79 -13.906 -24.161 19.587 1.00 25.00 C ATOM 1117 CD GLU A 79 -14.963 -25.234 19.852 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -16.085 -24.869 20.166 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -14.635 -26.403 19.736 1.00 50.00 O ATOM 0 H GLU A 79 -14.578 -20.168 19.968 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.287 -22.037 20.602 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.366 -23.085 21.405 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.258 -22.527 20.004 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -13.834 -23.961 18.518 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -12.926 -24.511 19.912 1.00 25.00 H new ATOM 1126 N ILE A 80 -12.000 -22.530 18.116 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.642 -22.478 16.669 1.00 10.00 C ATOM 1128 C ILE A 80 -11.467 -23.894 16.115 1.00 10.00 C ATOM 1129 O ILE A 80 -10.910 -24.759 16.762 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.319 -21.713 16.615 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.548 -20.263 17.048 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.773 -21.737 15.185 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -9.315 -19.425 16.702 1.00 50.00 C ATOM 0 H ILE A 80 -11.501 -23.232 18.662 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.415 -21.997 16.070 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.601 -22.184 17.287 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -11.428 -19.858 16.548 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.742 -20.219 18.120 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.830 -21.192 15.146 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.608 -22.769 14.876 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.491 -21.267 14.513 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -9.479 -18.392 17.011 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.445 -19.826 17.222 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -9.142 -19.459 15.626 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.936 -24.137 14.921 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.794 -25.498 14.327 1.00 10.00 C ATOM 1147 C ASP A 81 -10.480 -25.599 13.547 1.00 10.00 C ATOM 1148 O ASP A 81 -9.884 -24.605 13.182 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.990 -25.645 13.387 1.00 10.00 C ATOM 1150 CG ASP A 81 -14.074 -26.483 14.068 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.777 -27.603 14.451 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -15.182 -25.990 14.198 1.00 10.00 O ATOM 0 H ASP A 81 -12.411 -23.453 14.332 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.773 -26.281 15.085 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.384 -24.663 13.127 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.679 -26.120 12.457 1.00 10.00 H new ATOM 1157 N MET A 82 -10.025 -26.795 13.288 1.00 12.50 N ATOM 1158 CA MET A 82 -8.749 -26.960 12.531 1.00 12.50 C ATOM 1159 C MET A 82 -8.722 -28.321 11.831 1.00 12.50 C ATOM 1160 O MET A 82 -9.015 -29.341 12.423 1.00 12.50 O ATOM 1161 CB MET A 82 -7.640 -26.875 13.584 1.00 12.50 C ATOM 1162 CG MET A 82 -8.053 -27.651 14.837 1.00 12.50 C ATOM 1163 SD MET A 82 -8.390 -26.488 16.182 1.00 12.50 S ATOM 1164 CE MET A 82 -8.956 -27.701 17.399 1.00 50.00 C ATOM 0 H MET A 82 -10.480 -27.664 13.567 1.00 12.50 H new ATOM 0 HA MET A 82 -8.630 -26.201 11.757 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.712 -27.283 13.182 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.446 -25.833 13.838 1.00 12.50 H new ATOM 0 HG2 MET A 82 -8.939 -28.252 14.630 1.00 12.50 H new ATOM 0 HG3 MET A 82 -7.261 -28.341 15.128 1.00 12.50 H new ATOM 0 HE1 MET A 82 -9.221 -27.191 18.325 1.00 50.00 H new ATOM 0 HE2 MET A 82 -9.829 -28.226 17.011 1.00 50.00 H new ATOM 0 HE3 MET A 82 -8.159 -28.418 17.596 1.00 50.00 H new ATOM 1174 N ASP A 83 -8.376 -28.344 10.573 1.00 50.00 N ATOM 1175 CA ASP A 83 -8.331 -29.637 9.832 1.00 50.00 C ATOM 1176 C ASP A 83 -7.551 -30.682 10.634 1.00 50.00 C ATOM 1177 O ASP A 83 -7.017 -30.399 11.688 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.609 -29.317 8.524 1.00 50.00 C ATOM 1179 CG ASP A 83 -8.606 -29.370 7.364 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -9.695 -28.841 7.520 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -8.264 -29.938 6.341 1.00 50.00 O ATOM 0 H ASP A 83 -8.122 -27.522 10.025 1.00 50.00 H new ATOM 0 HA ASP A 83 -9.325 -30.049 9.660 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -7.153 -28.329 8.580 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -6.803 -30.031 8.357 1.00 50.00 H new ATOM 1186 N MET A 84 -7.481 -31.888 10.141 1.00 50.00 N ATOM 1187 CA MET A 84 -6.735 -32.952 10.871 1.00 50.00 C ATOM 1188 C MET A 84 -5.227 -32.740 10.719 1.00 50.00 C ATOM 1189 O MET A 84 -4.585 -33.343 9.882 1.00 50.00 O ATOM 1190 CB MET A 84 -7.163 -34.262 10.210 1.00 50.00 C ATOM 1191 CG MET A 84 -8.153 -34.992 11.119 1.00 50.00 C ATOM 1192 SD MET A 84 -7.927 -36.779 10.946 1.00 50.00 S ATOM 1193 CE MET A 84 -8.359 -36.893 9.194 1.00 50.00 C ATOM 0 H MET A 84 -7.909 -32.183 9.263 1.00 50.00 H new ATOM 0 HA MET A 84 -6.949 -32.947 11.940 1.00 50.00 H new ATOM 0 HB2 MET A 84 -7.622 -34.060 9.242 1.00 50.00 H new ATOM 0 HB3 MET A 84 -6.292 -34.890 10.025 1.00 50.00 H new ATOM 0 HG2 MET A 84 -7.999 -34.694 12.156 1.00 50.00 H new ATOM 0 HG3 MET A 84 -9.175 -34.717 10.857 1.00 50.00 H new ATOM 0 HE1 MET A 84 -8.598 -37.927 8.945 1.00 50.00 H new ATOM 0 HE2 MET A 84 -9.224 -36.262 8.991 1.00 50.00 H new ATOM 0 HE3 MET A 84 -7.516 -36.559 8.589 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.657 -31.885 11.522 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.193 -31.628 11.426 1.00 16.66 C ATOM 1205 C GLN A 85 -2.796 -30.513 12.396 1.00 16.66 C ATOM 1206 O GLN A 85 -3.126 -29.360 12.196 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.961 -31.190 9.980 1.00 16.66 C ATOM 1208 CG GLN A 85 -1.842 -32.032 9.363 1.00 16.66 C ATOM 1209 CD GLN A 85 -1.599 -31.575 7.923 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -0.579 -30.984 7.625 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -2.498 -31.823 7.011 1.00 16.66 N ATOM 0 H GLN A 85 -5.144 -31.352 12.243 1.00 16.66 H new ATOM 0 HA GLN A 85 -2.598 -32.504 11.684 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -3.878 -31.306 9.402 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -2.695 -30.133 9.947 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -0.928 -31.928 9.948 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -2.114 -33.087 9.381 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -3.354 -32.319 7.260 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -2.345 -31.521 6.049 1.00 16.66 H new ATOM 1220 N GLN A 86 -2.099 -30.844 13.447 1.00 16.66 N ATOM 1221 CA GLN A 86 -1.695 -29.797 14.425 1.00 16.66 C ATOM 1222 C GLN A 86 -0.379 -30.179 15.107 1.00 16.66 C ATOM 1223 O GLN A 86 -0.289 -31.184 15.785 1.00 16.66 O ATOM 1224 CB GLN A 86 -2.831 -29.755 15.447 1.00 16.66 C ATOM 1225 CG GLN A 86 -3.144 -31.177 15.918 1.00 16.66 C ATOM 1226 CD GLN A 86 -4.640 -31.450 15.751 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -5.395 -30.568 15.393 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -5.104 -32.645 15.999 1.00 50.00 N ATOM 0 H GLN A 86 -1.793 -31.791 13.670 1.00 16.66 H new ATOM 0 HA GLN A 86 -1.533 -28.831 13.948 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -2.548 -29.133 16.296 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -3.718 -29.304 15.003 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -2.565 -31.899 15.342 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -2.855 -31.298 16.962 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -4.471 -33.386 16.300 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -6.100 -32.838 15.892 1.00 50.00 H new ATOM 1237 N ILE A 87 0.637 -29.381 14.940 1.00 12.50 N ATOM 1238 CA ILE A 87 1.943 -29.693 15.587 1.00 12.50 C ATOM 1239 C ILE A 87 1.849 -29.414 17.089 1.00 12.50 C ATOM 1240 O ILE A 87 2.587 -29.967 17.882 1.00 12.50 O ATOM 1241 CB ILE A 87 2.948 -28.755 14.913 1.00 50.00 C ATOM 1242 CG1 ILE A 87 4.365 -29.053 15.424 1.00 50.00 C ATOM 1243 CG2 ILE A 87 2.575 -27.299 15.210 1.00 50.00 C ATOM 1244 CD1 ILE A 87 4.521 -28.579 16.872 1.00 50.00 C ATOM 0 H ILE A 87 0.621 -28.526 14.384 1.00 12.50 H new ATOM 0 HA ILE A 87 2.235 -30.737 15.476 1.00 12.50 H new ATOM 0 HB ILE A 87 2.922 -28.915 13.835 1.00 50.00 H new ATOM 0 HG12 ILE A 87 4.563 -30.123 15.362 1.00 50.00 H new ATOM 0 HG13 ILE A 87 5.099 -28.555 14.791 1.00 50.00 H new ATOM 0 HG21 ILE A 87 3.292 -26.634 14.729 1.00 50.00 H new ATOM 0 HG22 ILE A 87 1.576 -27.094 14.826 1.00 50.00 H new ATOM 0 HG23 ILE A 87 2.591 -27.132 16.287 1.00 50.00 H new ATOM 0 HD11 ILE A 87 5.531 -28.797 17.220 1.00 50.00 H new ATOM 0 HD12 ILE A 87 4.344 -27.505 16.924 1.00 50.00 H new ATOM 0 HD13 ILE A 87 3.800 -29.097 17.504 1.00 50.00 H new ATOM 1256 N LEU A 88 0.942 -28.564 17.485 1.00 12.50 N ATOM 1257 CA LEU A 88 0.793 -28.248 18.935 1.00 12.50 C ATOM 1258 C LEU A 88 -0.009 -29.346 19.640 1.00 12.50 C ATOM 1259 O LEU A 88 -0.375 -30.340 19.045 1.00 12.50 O ATOM 1260 CB LEU A 88 0.030 -26.923 18.973 1.00 12.50 C ATOM 1261 CG LEU A 88 -1.280 -27.069 18.194 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -2.458 -26.721 19.106 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -1.269 -26.123 16.992 1.00 12.50 C ATOM 0 H LEU A 88 0.296 -28.073 16.866 1.00 12.50 H new ATOM 0 HA LEU A 88 1.755 -28.183 19.443 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.177 -26.639 20.005 1.00 12.50 H new ATOM 0 HB3 LEU A 88 0.637 -26.128 18.540 1.00 12.50 H new ATOM 0 HG LEU A 88 -1.381 -28.097 17.846 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -3.391 -26.825 18.551 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -2.468 -27.396 19.962 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -2.356 -25.694 19.456 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -2.202 -26.228 16.438 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -1.166 -25.095 17.339 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -0.431 -26.371 16.341 1.00 12.50 H new ATOM 1275 N SER A 89 -0.284 -29.174 20.906 1.00 12.50 N ATOM 1276 CA SER A 89 -1.062 -30.208 21.649 1.00 12.50 C ATOM 1277 C SER A 89 -2.262 -29.565 22.353 1.00 12.50 C ATOM 1278 O SER A 89 -2.307 -28.367 22.551 1.00 12.50 O ATOM 1279 CB SER A 89 -0.083 -30.777 22.676 1.00 12.50 C ATOM 1280 OG SER A 89 -0.259 -30.111 23.918 1.00 12.50 O ATOM 0 H SER A 89 -0.004 -28.363 21.457 1.00 12.50 H new ATOM 0 HA SER A 89 -1.457 -30.980 20.989 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.249 -31.847 22.798 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.942 -30.651 22.326 1.00 12.50 H new ATOM 0 HG SER A 89 0.367 -30.477 24.577 1.00 12.50 H new ATOM 1286 N ASP A 90 -3.231 -30.352 22.734 1.00 10.00 N ATOM 1287 CA ASP A 90 -4.423 -29.783 23.427 1.00 10.00 C ATOM 1288 C ASP A 90 -3.984 -28.963 24.640 1.00 10.00 C ATOM 1289 O ASP A 90 -4.522 -27.909 24.920 1.00 10.00 O ATOM 1290 CB ASP A 90 -5.245 -30.994 23.867 1.00 10.00 C ATOM 1291 CG ASP A 90 -6.454 -31.154 22.944 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -6.297 -30.939 21.752 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -7.516 -31.488 23.442 1.00 10.00 O ATOM 0 H ASP A 90 -3.249 -31.362 22.596 1.00 10.00 H new ATOM 0 HA ASP A 90 -4.996 -29.117 22.782 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -4.630 -31.894 23.838 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -5.576 -30.867 24.898 1.00 10.00 H new ATOM 1298 N GLU A 91 -3.006 -29.436 25.359 1.00 12.50 N ATOM 1299 CA GLU A 91 -2.525 -28.683 26.550 1.00 12.50 C ATOM 1300 C GLU A 91 -2.106 -27.275 26.130 1.00 12.50 C ATOM 1301 O GLU A 91 -2.263 -26.321 26.867 1.00 12.50 O ATOM 1302 CB GLU A 91 -1.322 -29.477 27.061 1.00 12.50 C ATOM 1303 CG GLU A 91 -1.214 -29.318 28.579 1.00 12.50 C ATOM 1304 CD GLU A 91 -0.161 -28.257 28.908 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -0.518 -27.091 28.951 1.00 50.00 O ATOM 1306 OE2 GLU A 91 0.983 -28.628 29.110 1.00 50.00 O ATOM 0 H GLU A 91 -2.518 -30.312 25.173 1.00 12.50 H new ATOM 0 HA GLU A 91 -3.291 -28.576 27.318 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -1.431 -30.530 26.802 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.409 -29.124 26.582 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.179 -29.029 28.995 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -0.942 -30.269 29.036 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.583 -27.136 24.943 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.162 -25.789 24.466 1.00 10.00 C ATOM 1315 C GLU A 92 -2.398 -24.964 24.097 1.00 10.00 C ATOM 1316 O GLU A 92 -2.435 -23.764 24.280 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.305 -26.055 23.229 1.00 50.00 C ATOM 1318 CG GLU A 92 1.103 -25.504 23.455 1.00 50.00 C ATOM 1319 CD GLU A 92 1.976 -25.825 22.240 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.460 -25.783 21.135 1.00 50.00 O ATOM 1321 OE2 GLU A 92 3.147 -26.108 22.434 1.00 50.00 O ATOM 0 H GLU A 92 -1.429 -27.898 24.282 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.613 -25.229 25.223 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.260 -27.125 23.028 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.755 -25.585 22.354 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.063 -24.426 23.613 1.00 50.00 H new ATOM 0 HG3 GLU A 92 1.537 -25.942 24.354 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.411 -25.603 23.580 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.647 -24.861 23.202 1.00 10.00 C ATOM 1330 C VAL A 93 -5.496 -24.589 24.447 1.00 10.00 C ATOM 1331 O VAL A 93 -6.364 -23.739 24.444 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.390 -25.789 22.239 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.771 -25.205 21.935 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -4.593 -25.922 20.940 1.00 10.00 C ATOM 0 H VAL A 93 -3.436 -26.607 23.403 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.427 -23.895 22.746 1.00 10.00 H new ATOM 0 HB VAL A 93 -5.503 -26.772 22.695 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.302 -25.865 21.249 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -7.338 -25.112 22.861 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.658 -24.222 21.478 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -5.123 -26.583 20.254 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.478 -24.940 20.481 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -3.609 -26.338 21.158 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.252 -25.306 25.510 1.00 12.50 N ATOM 1345 CA GLU A 94 -6.045 -25.090 26.753 1.00 12.50 C ATOM 1346 C GLU A 94 -5.225 -24.299 27.778 1.00 12.50 C ATOM 1347 O GLU A 94 -5.757 -23.516 28.539 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.353 -26.494 27.276 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.766 -26.899 26.850 1.00 12.50 C ATOM 1350 CD GLU A 94 -8.150 -28.212 27.538 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -7.433 -29.182 27.362 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -9.155 -28.223 28.229 1.00 12.50 O ATOM 0 H GLU A 94 -4.538 -26.032 25.571 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.953 -24.517 26.568 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.626 -27.206 26.886 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -6.269 -26.515 28.363 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.476 -26.116 27.116 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -7.811 -27.017 25.767 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.934 -24.497 27.806 1.00 12.50 N ATOM 1360 CA GLU A 95 -3.089 -23.753 28.786 1.00 12.50 C ATOM 1361 C GLU A 95 -2.268 -22.673 28.073 1.00 12.50 C ATOM 1362 O GLU A 95 -1.666 -21.825 28.702 1.00 12.50 O ATOM 1363 CB GLU A 95 -2.167 -24.807 29.398 1.00 25.00 C ATOM 1364 CG GLU A 95 -2.997 -25.806 30.206 1.00 25.00 C ATOM 1365 CD GLU A 95 -2.623 -25.702 31.687 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -1.552 -25.192 31.972 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -3.414 -26.133 32.509 1.00 50.00 O ATOM 0 H GLU A 95 -3.429 -25.139 27.195 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.689 -23.246 29.542 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -1.619 -25.326 28.612 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.427 -24.329 30.041 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -4.060 -25.603 30.073 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -2.818 -26.819 29.845 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.240 -22.694 26.768 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.456 -21.664 26.023 1.00 25.00 C ATOM 1376 C LYS A 96 -2.381 -20.864 25.100 1.00 25.00 C ATOM 1377 O LYS A 96 -2.037 -19.797 24.635 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.431 -22.454 25.207 1.00 25.00 C ATOM 1379 CG LYS A 96 0.941 -21.787 25.328 1.00 25.00 C ATOM 1380 CD LYS A 96 1.644 -22.292 26.591 1.00 25.00 C ATOM 1381 CE LYS A 96 3.160 -22.241 26.385 1.00 25.00 C ATOM 1382 NZ LYS A 96 3.735 -22.770 27.655 1.00 25.00 N ATOM 0 H LYS A 96 -2.724 -23.377 26.186 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.976 -20.948 26.690 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.380 -23.482 25.565 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.736 -22.495 24.161 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.545 -22.011 24.449 1.00 25.00 H new ATOM 0 HG3 LYS A 96 0.828 -20.704 25.370 1.00 25.00 H new ATOM 0 HD2 LYS A 96 1.362 -21.679 27.447 1.00 25.00 H new ATOM 0 HD3 LYS A 96 1.330 -23.312 26.812 1.00 25.00 H new ATOM 0 HE2 LYS A 96 3.464 -22.846 25.531 1.00 25.00 H new ATOM 0 HE3 LYS A 96 3.499 -21.223 26.191 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 4.773 -22.767 27.594 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 3.434 -22.170 28.449 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 3.400 -23.742 27.809 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.555 -21.372 24.839 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.511 -20.643 23.953 1.00 10.00 C ATOM 1398 C ASP A 97 -3.924 -20.469 22.550 1.00 10.00 C ATOM 1399 O ASP A 97 -4.337 -19.606 21.800 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.704 -19.277 24.616 1.00 50.00 C ATOM 1401 CG ASP A 97 -6.028 -19.265 25.385 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -7.002 -19.773 24.856 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -6.043 -18.748 26.490 1.00 50.00 O ATOM 0 H ASP A 97 -3.895 -22.263 25.202 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.450 -21.185 23.838 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -3.876 -19.070 25.294 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -4.703 -18.491 23.861 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.967 -21.275 22.184 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.367 -21.137 20.826 1.00 10.00 C ATOM 1410 C VAL A 98 -3.158 -21.960 19.806 1.00 10.00 C ATOM 1411 O VAL A 98 -3.778 -22.951 20.137 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.942 -21.673 20.964 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.218 -20.916 22.079 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.988 -23.163 21.305 1.00 50.00 C ATOM 0 H VAL A 98 -2.576 -22.019 22.762 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.381 -20.106 20.474 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.408 -21.532 20.024 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.798 -21.298 22.178 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.184 -19.854 21.835 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -0.751 -21.056 23.019 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.028 -23.545 21.403 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -1.522 -23.305 22.245 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -1.503 -23.702 20.510 1.00 50.00 H new ATOM 1424 N ARG A 99 -3.141 -21.552 18.565 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.892 -22.304 17.518 1.00 10.00 C ATOM 1426 C ARG A 99 -3.206 -22.140 16.158 1.00 10.00 C ATOM 1427 O ARG A 99 -2.052 -21.772 16.075 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.282 -21.666 17.498 1.00 50.00 C ATOM 1429 CG ARG A 99 -6.321 -22.687 17.966 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.549 -22.528 19.471 1.00 50.00 C ATOM 1431 NE ARG A 99 -8.016 -22.306 19.614 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.770 -23.239 20.130 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -9.221 -23.113 21.349 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.073 -24.296 19.428 1.00 50.00 N ATOM 0 H ARG A 99 -2.639 -20.729 18.231 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.936 -23.373 17.725 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.301 -20.790 18.146 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.522 -21.323 16.491 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -7.258 -22.542 17.428 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.979 -23.698 17.744 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -6.229 -23.416 20.015 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -5.981 -21.688 19.870 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.431 -21.426 19.309 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -8.984 -22.286 21.897 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -9.810 -23.841 21.753 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -8.721 -24.394 18.476 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.662 -25.025 19.831 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.910 -22.409 15.092 1.00 10.00 N ATOM 1449 CA LEU A 100 -3.299 -22.267 13.738 1.00 10.00 C ATOM 1450 C LEU A 100 -4.000 -21.153 12.959 1.00 10.00 C ATOM 1451 O LEU A 100 -5.157 -21.259 12.607 1.00 10.00 O ATOM 1452 CB LEU A 100 -3.520 -23.619 13.057 1.00 10.00 C ATOM 1453 CG LEU A 100 -2.747 -24.702 13.812 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -3.334 -26.074 13.477 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -1.275 -24.664 13.396 1.00 10.00 C ATOM 0 H LEU A 100 -4.881 -22.721 15.099 1.00 10.00 H new ATOM 0 HA LEU A 100 -2.242 -22.005 13.787 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.583 -23.860 13.040 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -3.187 -23.575 12.020 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.826 -24.523 14.884 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -2.784 -26.846 14.015 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -4.383 -26.103 13.773 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -3.254 -26.252 12.405 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -0.725 -25.436 13.934 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -1.195 -24.842 12.324 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.855 -23.687 13.633 1.00 10.00 H new ATOM 1467 N THR A 101 -3.308 -20.081 12.696 1.00 10.00 N ATOM 1468 CA THR A 101 -3.934 -18.954 11.948 1.00 10.00 C ATOM 1469 C THR A 101 -3.901 -19.217 10.438 1.00 10.00 C ATOM 1470 O THR A 101 -4.720 -18.712 9.695 1.00 10.00 O ATOM 1471 CB THR A 101 -3.080 -17.736 12.296 1.00 10.00 C ATOM 1472 OG1 THR A 101 -3.346 -17.341 13.635 1.00 10.00 O ATOM 1473 CG2 THR A 101 -3.419 -16.590 11.347 1.00 10.00 C ATOM 0 H THR A 101 -2.335 -19.935 12.966 1.00 10.00 H new ATOM 0 HA THR A 101 -4.982 -18.817 12.215 1.00 10.00 H new ATOM 0 HB THR A 101 -2.024 -17.989 12.195 1.00 10.00 H new ATOM 0 HG1 THR A 101 -3.216 -16.374 13.723 1.00 10.00 H new ATOM 0 HG21 THR A 101 -2.810 -15.720 11.595 1.00 10.00 H new ATOM 0 HG22 THR A 101 -3.215 -16.895 10.321 1.00 10.00 H new ATOM 0 HG23 THR A 101 -4.474 -16.335 11.447 1.00 10.00 H new ATOM 1481 N CYS A 102 -2.959 -19.993 9.975 1.00 10.00 N ATOM 1482 CA CYS A 102 -2.877 -20.273 8.510 1.00 10.00 C ATOM 1483 C CYS A 102 -3.926 -21.308 8.094 1.00 10.00 C ATOM 1484 O CYS A 102 -4.471 -21.249 7.009 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.468 -20.822 8.288 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.219 -22.289 9.316 1.00 10.00 S ATOM 0 H CYS A 102 -2.244 -20.445 10.545 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.069 -19.380 7.916 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.326 -21.074 7.237 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.727 -20.062 8.536 1.00 10.00 H new ATOM 0 HG CYS A 102 -0.021 -22.755 9.124 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.213 -22.256 8.942 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.225 -23.292 8.582 1.00 10.00 C ATOM 1493 C ILE A 103 -6.210 -23.500 9.736 1.00 10.00 C ATOM 1494 O ILE A 103 -6.692 -24.592 9.962 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.419 -24.566 8.328 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.776 -25.037 9.635 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.327 -24.284 7.294 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.210 -26.475 9.924 1.00 50.00 C ATOM 0 H ILE A 103 -3.793 -22.359 9.866 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.815 -23.003 7.712 1.00 10.00 H new ATOM 0 HB ILE A 103 -5.083 -25.344 7.951 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.690 -24.981 9.560 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -4.073 -24.384 10.456 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.753 -25.193 7.114 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.785 -23.953 6.362 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.664 -23.504 7.669 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.753 -26.813 10.854 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.295 -26.516 10.017 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.891 -27.122 9.107 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.515 -22.461 10.465 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.470 -22.604 11.601 1.00 10.00 C ATOM 1512 C GLY A 104 -8.690 -21.711 11.360 1.00 10.00 C ATOM 1513 O GLY A 104 -8.571 -20.587 10.914 1.00 10.00 O ATOM 0 H GLY A 104 -6.145 -21.521 10.324 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.781 -23.644 11.699 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -6.983 -22.327 12.536 1.00 10.00 H new ATOM 1517 N SER A 105 -9.864 -22.203 11.653 1.00 10.00 N ATOM 1518 CA SER A 105 -11.093 -21.383 11.441 1.00 10.00 C ATOM 1519 C SER A 105 -11.847 -21.209 12.764 1.00 10.00 C ATOM 1520 O SER A 105 -11.902 -22.116 13.570 1.00 10.00 O ATOM 1521 CB SER A 105 -11.932 -22.177 10.438 1.00 10.00 C ATOM 1522 OG SER A 105 -13.158 -22.568 11.040 1.00 10.00 O ATOM 0 H SER A 105 -10.026 -23.137 12.030 1.00 10.00 H new ATOM 0 HA SER A 105 -10.866 -20.382 11.075 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.128 -21.571 9.553 1.00 10.00 H new ATOM 0 HB3 SER A 105 -11.382 -23.058 10.106 1.00 10.00 H new ATOM 0 HG SER A 105 -13.463 -23.411 10.644 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.403 -20.041 12.939 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.163 -19.737 14.176 1.00 10.00 C ATOM 1530 C PRO A 106 -14.526 -20.433 14.154 1.00 10.00 C ATOM 1531 O PRO A 106 -15.179 -20.509 13.133 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.330 -18.222 14.129 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.239 -17.865 12.677 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.374 -18.905 12.012 1.00 10.00 C ATOM 0 HA PRO A 106 -12.661 -20.080 15.081 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.288 -17.918 14.551 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.554 -17.722 14.708 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.230 -17.843 12.224 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -12.809 -16.871 12.552 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.764 -19.180 11.032 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.358 -18.540 11.860 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.961 -20.941 15.275 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.282 -21.629 15.319 1.00 10.00 C ATOM 1544 C ALA A 107 -17.276 -20.806 16.140 1.00 10.00 C ATOM 1545 O ALA A 107 -18.191 -20.206 15.611 1.00 10.00 O ATOM 1546 CB ALA A 107 -16.006 -22.971 15.997 1.00 50.00 C ATOM 0 H ALA A 107 -14.458 -20.909 16.162 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.717 -21.756 14.328 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.933 -23.540 16.068 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.279 -23.533 15.410 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.609 -22.798 16.997 1.00 50.00 H new ATOM 1552 N ALA A 108 -17.101 -20.775 17.431 1.00 10.00 N ATOM 1553 CA ALA A 108 -18.031 -19.992 18.295 1.00 10.00 C ATOM 1554 C ALA A 108 -18.335 -18.634 17.657 1.00 10.00 C ATOM 1555 O ALA A 108 -17.474 -18.004 17.073 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.283 -19.807 19.615 1.00 50.00 C ATOM 0 H ALA A 108 -16.353 -21.259 17.927 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.987 -20.497 18.433 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.903 -19.238 20.308 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.059 -20.783 20.046 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.353 -19.268 19.434 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.553 -18.177 17.765 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.914 -16.859 17.167 1.00 50.00 C ATOM 1564 C ASP A 109 -18.856 -15.809 17.520 1.00 50.00 C ATOM 1565 O ASP A 109 -18.055 -15.419 16.694 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.260 -16.495 17.794 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.734 -15.150 17.239 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.659 -14.969 16.035 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.164 -14.325 18.028 1.00 50.00 O ATOM 0 H ASP A 109 -20.315 -18.660 18.242 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.969 -16.901 16.079 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.996 -17.270 17.577 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -21.165 -16.440 18.878 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.848 -15.350 18.741 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.842 -14.325 19.146 1.00 10.00 C ATOM 1576 C GLU A 110 -16.576 -15.010 19.668 1.00 10.00 C ATOM 1577 O GLU A 110 -16.640 -15.935 20.453 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.515 -13.526 20.262 1.00 10.00 C ATOM 1579 CG GLU A 110 -18.998 -12.184 19.708 1.00 10.00 C ATOM 1580 CD GLU A 110 -20.465 -11.975 20.088 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -21.190 -12.956 20.133 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -20.839 -10.839 20.329 1.00 50.00 O ATOM 0 H GLU A 110 -19.493 -15.639 19.476 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.543 -13.688 18.314 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -19.356 -14.087 20.670 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.814 -13.363 21.081 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -18.389 -11.373 20.107 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -18.885 -12.164 18.624 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.427 -14.566 19.239 1.00 10.00 N ATOM 1590 CA VAL A 111 -14.163 -15.200 19.713 1.00 10.00 C ATOM 1591 C VAL A 111 -13.042 -14.161 19.811 1.00 10.00 C ATOM 1592 O VAL A 111 -13.004 -13.201 19.068 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.831 -16.248 18.651 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.602 -17.047 19.088 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -15.021 -17.195 18.481 1.00 12.50 C ATOM 0 H VAL A 111 -15.308 -13.794 18.583 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.269 -15.637 20.706 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.622 -15.751 17.703 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.366 -17.794 18.330 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.754 -16.373 19.210 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.809 -17.544 20.036 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.786 -17.943 17.724 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.229 -17.691 19.429 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.897 -16.626 18.169 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.126 -14.352 20.720 1.00 10.00 N ATOM 1606 CA LYS A 112 -11.001 -13.383 20.866 1.00 10.00 C ATOM 1607 C LYS A 112 -9.665 -14.120 20.755 1.00 10.00 C ATOM 1608 O LYS A 112 -9.515 -15.226 21.234 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.167 -12.781 22.262 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.379 -11.846 22.277 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.944 -11.772 23.698 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.487 -10.365 23.962 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.961 -10.486 23.789 1.00 25.00 N ATOM 0 H LYS A 112 -12.107 -15.138 21.369 1.00 10.00 H new ATOM 0 HA LYS A 112 -11.012 -12.615 20.093 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.298 -13.574 22.998 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.268 -12.232 22.542 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.090 -10.852 21.936 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.142 -12.210 21.589 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -13.738 -12.509 23.823 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -12.167 -12.015 24.422 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -13.233 -10.025 24.966 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -13.065 -9.641 23.265 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -15.407 -9.561 23.954 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -15.172 -10.805 22.822 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -15.335 -11.177 24.470 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.695 -13.521 20.124 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.370 -14.189 19.980 1.00 10.00 C ATOM 1629 C ILE A 113 -6.286 -13.157 19.667 1.00 10.00 C ATOM 1630 O ILE A 113 -6.545 -12.131 19.072 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.545 -15.156 18.809 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.205 -15.816 18.483 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.045 -14.385 17.586 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.453 -17.159 17.792 1.00 10.00 C ATOM 0 H ILE A 113 -8.762 -12.596 19.700 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.063 -14.701 20.892 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.269 -15.925 19.078 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.615 -15.166 17.837 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.629 -15.966 19.396 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.171 -15.072 16.749 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -9.001 -13.916 17.817 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.320 -13.617 17.319 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.498 -17.630 17.559 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.026 -17.808 18.454 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -7.012 -16.996 16.870 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.070 -13.423 20.056 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.972 -12.457 19.768 1.00 10.00 C ATOM 1648 C VAL A 114 -3.155 -12.952 18.573 1.00 10.00 C ATOM 1649 O VAL A 114 -2.799 -14.113 18.495 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.111 -12.430 21.034 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -2.258 -11.161 21.038 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.009 -12.438 22.274 1.00 50.00 C ATOM 0 H VAL A 114 -4.789 -14.265 20.559 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.346 -11.464 19.519 1.00 10.00 H new ATOM 0 HB VAL A 114 -2.467 -13.309 21.050 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.644 -11.138 21.938 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.614 -11.153 20.159 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -2.908 -10.286 21.020 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.390 -12.419 23.171 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.656 -11.561 22.260 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.621 -13.340 22.274 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.861 -12.090 17.639 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.073 -12.527 16.450 1.00 10.00 C ATOM 1664 C TYR A 115 -0.586 -12.215 16.650 1.00 10.00 C ATOM 1665 O TYR A 115 -0.215 -11.413 17.485 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.675 -11.747 15.265 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.860 -10.511 14.942 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.704 -9.497 15.896 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.260 -10.382 13.682 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.950 -8.358 15.590 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.506 -9.243 13.378 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.350 -8.232 14.331 1.00 50.00 C ATOM 1673 OH TYR A 115 0.394 -7.108 14.032 1.00 50.00 O ATOM 0 H TYR A 115 -3.130 -11.106 17.646 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.128 -13.602 16.280 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.721 -12.393 14.388 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.699 -11.457 15.501 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.166 -9.594 16.868 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.380 -11.162 12.945 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.831 -7.576 16.325 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -0.044 -9.145 12.407 1.00 50.00 H new ATOM 0 HH TYR A 115 -0.084 -6.309 14.337 1.00 50.00 H new ATOM 1683 N ASN A 116 0.267 -12.846 15.886 1.00 10.00 N ATOM 1684 CA ASN A 116 1.734 -12.595 16.020 1.00 10.00 C ATOM 1685 C ASN A 116 2.272 -13.215 17.314 1.00 10.00 C ATOM 1686 O ASN A 116 2.959 -12.569 18.081 1.00 10.00 O ATOM 1687 CB ASN A 116 1.883 -11.070 16.054 1.00 10.00 C ATOM 1688 CG ASN A 116 2.851 -10.625 14.955 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.263 -11.419 14.133 1.00 10.00 O ATOM 1690 ND2 ASN A 116 3.230 -9.378 14.907 1.00 10.00 N ATOM 0 H ASN A 116 0.010 -13.527 15.172 1.00 10.00 H new ATOM 0 HA ASN A 116 2.297 -13.041 15.200 1.00 10.00 H new ATOM 0 HB2 ASN A 116 0.912 -10.596 15.911 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.252 -10.752 17.029 1.00 10.00 H new ATOM 0 HD21 ASN A 116 3.873 -9.068 14.179 1.00 10.00 H new ATOM 0 HD22 ASN A 116 2.883 -8.713 15.598 1.00 10.00 H new ATOM 1697 N ALA A 117 1.972 -14.462 17.563 1.00 10.00 N ATOM 1698 CA ALA A 117 2.480 -15.112 18.807 1.00 10.00 C ATOM 1699 C ALA A 117 3.981 -15.384 18.678 1.00 10.00 C ATOM 1700 O ALA A 117 4.677 -15.571 19.657 1.00 10.00 O ATOM 1701 CB ALA A 117 1.706 -16.425 18.919 1.00 50.00 C ATOM 0 H ALA A 117 1.400 -15.056 16.963 1.00 10.00 H new ATOM 0 HA ALA A 117 2.341 -14.485 19.688 1.00 10.00 H new ATOM 0 HB1 ALA A 117 2.026 -16.961 19.813 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.639 -16.214 18.985 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.901 -17.038 18.039 1.00 50.00 H new ATOM 1732 N HIS A 119 6.200 -13.672 18.640 1.00 50.00 N ATOM 1733 CA HIS A 119 6.945 -12.763 19.557 1.00 50.00 C ATOM 1734 C HIS A 119 7.115 -13.420 20.929 1.00 50.00 C ATOM 1735 O HIS A 119 7.996 -13.070 21.690 1.00 50.00 O ATOM 1736 CB HIS A 119 6.072 -11.513 19.668 1.00 50.00 C ATOM 1737 CG HIS A 119 5.996 -10.832 18.329 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.129 -10.475 17.616 1.00 50.00 N ATOM 1739 CD2 HIS A 119 4.930 -10.435 17.561 1.00 50.00 C ATOM 1740 CE1 HIS A 119 6.722 -9.891 16.474 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.390 -9.841 16.391 1.00 50.00 N ATOM 0 HA HIS A 119 7.945 -12.532 19.189 1.00 50.00 H new ATOM 0 HB2 HIS A 119 5.072 -11.784 20.007 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.487 -10.832 20.411 1.00 50.00 H new ATOM 0 HD1 HIS A 119 8.096 -10.627 17.904 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.891 -10.564 17.825 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.391 -9.509 15.717 1.00 50.00 H new ATOM 1749 N LEU A 120 6.281 -14.371 21.252 1.00 12.50 N ATOM 1750 CA LEU A 120 6.400 -15.046 22.577 1.00 12.50 C ATOM 1751 C LEU A 120 7.869 -15.350 22.881 1.00 12.50 C ATOM 1752 O LEU A 120 8.548 -16.009 22.120 1.00 12.50 O ATOM 1753 CB LEU A 120 5.600 -16.341 22.437 1.00 12.50 C ATOM 1754 CG LEU A 120 4.155 -16.097 22.875 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.224 -17.041 22.112 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.024 -16.357 24.377 1.00 12.50 C ATOM 0 H LEU A 120 5.524 -14.709 20.658 1.00 12.50 H new ATOM 0 HA LEU A 120 6.028 -14.426 23.393 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.625 -16.686 21.403 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.048 -17.126 23.046 1.00 12.50 H new ATOM 0 HG LEU A 120 3.882 -15.064 22.660 1.00 12.50 H new ATOM 0 HD11 LEU A 120 2.194 -16.867 22.424 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.315 -16.855 21.042 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.498 -18.074 22.326 1.00 12.50 H new ATOM 0 HD21 LEU A 120 2.994 -16.183 24.688 1.00 12.50 H new ATOM 0 HD22 LEU A 120 4.298 -17.390 24.593 1.00 12.50 H new ATOM 0 HD23 LEU A 120 4.686 -15.684 24.922 1.00 12.50 H new