USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= 0.66 K(o=1.9,f=-2.9) USER MOD Set 1.2: A 90 SER OG : rot 91:sc= 1.24 USER MOD Set 2.1: A 30 SER OG : rot 94:sc= 0.174! USER MOD Set 2.2: A 78 GLN : amide:sc= -7.81! C(o=-7.6!,f=-10!) USER MOD Set 3.1: A 21 SER OG : rot -37:sc= 0.35 USER MOD Set 3.2: A 62 ASN :FLIP amide:sc= -1.67 F(o=-10!,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -161:sc= 0 (180deg=-0.164) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00853 USER MOD Single : A 11 SER OG : rot 180:sc= -0.102 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 18 THR OG1 : rot 37:sc= 0.978 USER MOD Single : A 20 SER OG : rot 71:sc= -2.04! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.16 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -140:sc= -0.718 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 110:sc= -1.25 USER MOD Single : A 50 GLN : amide:sc= -7.08! C(o=-7.1!,f=-8.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0761 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 130:sc= -3.94! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 177:sc= -4.84! USER MOD Single : A 85 GLN :FLIP amide:sc= -1.38 F(o=-7!,f=-1.4) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -160:sc= -0.221 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.31 F(o=-3.6!,f=-1.3) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -160:sc= -1.13! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.459 -16.987 -30.351 1.00 0.00 N ATOM 2 CA GLY A 1 -10.983 -16.824 -30.217 1.00 0.00 C ATOM 3 C GLY A 1 -10.538 -17.313 -28.842 1.00 0.00 C ATOM 4 O GLY A 1 -10.423 -16.529 -27.900 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.721 -16.967 -31.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.747 -17.896 -29.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.941 -16.211 -29.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.472 -17.388 -30.998 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.709 -15.777 -30.348 1.00 0.00 H new ATOM 10 N PRO A 2 -10.293 -18.588 -28.718 1.00 0.00 N ATOM 11 CA PRO A 2 -9.854 -19.209 -27.432 1.00 0.00 C ATOM 12 C PRO A 2 -8.661 -18.484 -26.807 1.00 0.00 C ATOM 13 O PRO A 2 -8.559 -18.380 -25.585 1.00 0.00 O ATOM 14 CB PRO A 2 -9.464 -20.637 -27.826 1.00 0.00 C ATOM 15 CG PRO A 2 -10.191 -20.922 -29.101 1.00 0.00 C ATOM 16 CD PRO A 2 -10.416 -19.580 -29.797 1.00 0.00 C ATOM 0 HA PRO A 2 -10.641 -19.164 -26.679 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.386 -20.724 -27.963 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.745 -21.347 -27.049 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.610 -21.592 -29.735 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.141 -21.417 -28.901 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.678 -19.409 -30.581 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.398 -19.536 -30.269 1.00 0.00 H new ATOM 24 N LEU A 3 -7.761 -17.990 -27.650 1.00 0.00 N ATOM 25 CA LEU A 3 -6.579 -17.282 -27.169 1.00 0.00 C ATOM 26 C LEU A 3 -6.854 -15.787 -27.056 1.00 0.00 C ATOM 27 O LEU A 3 -7.525 -15.204 -27.909 1.00 0.00 O ATOM 28 CB LEU A 3 -5.402 -17.520 -28.115 1.00 0.00 C ATOM 29 CG LEU A 3 -4.142 -16.873 -27.533 1.00 0.00 C ATOM 30 CD1 LEU A 3 -3.580 -17.754 -26.415 1.00 0.00 C ATOM 31 CD2 LEU A 3 -3.093 -16.713 -28.637 1.00 0.00 C ATOM 0 H LEU A 3 -7.826 -18.066 -28.665 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.330 -17.667 -26.180 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.244 -18.589 -28.254 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.620 -17.100 -29.097 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.394 -15.893 -27.127 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.683 -17.291 -26.003 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.326 -17.864 -25.628 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.329 -18.736 -26.817 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.196 -16.252 -28.223 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.843 -17.692 -29.046 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.493 -16.080 -29.430 1.00 0.00 H new ATOM 43 N GLY A 4 -6.339 -15.168 -25.997 1.00 0.00 N ATOM 44 CA GLY A 4 -6.545 -13.739 -25.786 1.00 0.00 C ATOM 45 C GLY A 4 -5.251 -13.053 -25.363 1.00 0.00 C ATOM 46 O GLY A 4 -4.233 -13.707 -25.134 1.00 0.00 O ATOM 0 H GLY A 4 -5.781 -15.629 -25.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.919 -13.283 -26.703 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.307 -13.588 -25.021 1.00 0.00 H new ATOM 50 N SER A 5 -5.299 -11.727 -25.260 1.00 0.00 N ATOM 51 CA SER A 5 -4.128 -10.954 -24.860 1.00 0.00 C ATOM 52 C SER A 5 -3.787 -11.216 -23.398 1.00 0.00 C ATOM 53 O SER A 5 -4.598 -11.760 -22.648 1.00 0.00 O ATOM 54 CB SER A 5 -4.394 -9.464 -25.059 1.00 0.00 C ATOM 55 OG SER A 5 -5.251 -9.000 -24.022 1.00 0.00 O ATOM 0 H SER A 5 -6.132 -11.169 -25.447 1.00 0.00 H new ATOM 0 HA SER A 5 -3.286 -11.261 -25.480 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.455 -8.910 -25.047 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.854 -9.291 -26.032 1.00 0.00 H new ATOM 0 HG SER A 5 -5.424 -8.043 -24.144 1.00 0.00 H new ATOM 61 N HIS A 6 -2.582 -10.824 -22.997 1.00 0.00 N ATOM 62 CA HIS A 6 -2.145 -11.021 -21.618 1.00 0.00 C ATOM 63 C HIS A 6 -1.781 -9.682 -20.980 1.00 0.00 C ATOM 64 O HIS A 6 -1.161 -8.832 -21.617 1.00 0.00 O ATOM 65 CB HIS A 6 -0.932 -11.951 -21.589 1.00 0.00 C ATOM 66 CG HIS A 6 -1.249 -13.204 -22.358 1.00 0.00 C ATOM 67 ND1 HIS A 6 -0.485 -13.617 -23.438 1.00 0.00 N ATOM 68 CD2 HIS A 6 -2.248 -14.139 -22.226 1.00 0.00 C ATOM 69 CE1 HIS A 6 -1.030 -14.752 -23.910 1.00 0.00 C ATOM 70 NE2 HIS A 6 -2.107 -15.116 -23.207 1.00 0.00 N ATOM 0 H HIS A 6 -1.895 -10.372 -23.601 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.961 -11.470 -21.052 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.066 -11.452 -22.025 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -0.673 -12.198 -20.559 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.024 -14.119 -21.475 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.644 -15.303 -24.755 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.698 -15.934 -23.357 1.00 0.00 H new ATOM 79 N LEU A 7 -2.167 -9.501 -19.719 1.00 0.00 N ATOM 80 CA LEU A 7 -1.870 -8.257 -19.013 1.00 0.00 C ATOM 81 C LEU A 7 -0.487 -8.323 -18.375 1.00 0.00 C ATOM 82 O LEU A 7 -0.091 -7.421 -17.637 1.00 0.00 O ATOM 83 CB LEU A 7 -2.917 -7.979 -17.922 1.00 0.00 C ATOM 84 CG LEU A 7 -4.049 -9.008 -17.992 1.00 0.00 C ATOM 85 CD1 LEU A 7 -4.595 -9.081 -19.420 1.00 0.00 C ATOM 86 CD2 LEU A 7 -3.516 -10.380 -17.568 1.00 0.00 C ATOM 0 H LEU A 7 -2.680 -10.191 -19.170 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.896 -7.448 -19.743 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.446 -8.014 -16.940 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.322 -6.975 -18.046 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.853 -8.709 -17.320 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.400 -9.814 -19.465 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.978 -8.104 -19.714 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.796 -9.377 -20.100 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.320 -11.114 -17.617 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.710 -10.680 -18.237 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.138 -10.324 -16.547 1.00 0.00 H new ATOM 98 N VAL A 8 0.246 -9.396 -18.660 1.00 0.00 N ATOM 99 CA VAL A 8 1.581 -9.561 -18.099 1.00 0.00 C ATOM 100 C VAL A 8 2.538 -8.535 -18.697 1.00 0.00 C ATOM 101 O VAL A 8 3.722 -8.501 -18.360 1.00 0.00 O ATOM 102 CB VAL A 8 2.094 -10.977 -18.367 1.00 0.00 C ATOM 103 CG1 VAL A 8 1.092 -11.996 -17.814 1.00 0.00 C ATOM 104 CG2 VAL A 8 2.252 -11.183 -19.875 1.00 0.00 C ATOM 0 H VAL A 8 -0.058 -10.155 -19.269 1.00 0.00 H new ATOM 0 HA VAL A 8 1.528 -9.403 -17.022 1.00 0.00 H new ATOM 0 HB VAL A 8 3.058 -11.114 -17.878 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.457 -13.005 -18.005 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.978 -11.848 -16.740 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.128 -11.860 -18.303 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.618 -12.192 -20.068 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.287 -11.047 -20.364 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.964 -10.458 -20.269 1.00 0.00 H new ATOM 114 N ALA A 9 2.007 -7.692 -19.576 1.00 0.00 N ATOM 115 CA ALA A 9 2.805 -6.651 -20.213 1.00 0.00 C ATOM 116 C ALA A 9 4.246 -7.104 -20.430 1.00 0.00 C ATOM 117 O ALA A 9 5.183 -6.322 -20.265 1.00 0.00 O ATOM 118 CB ALA A 9 2.793 -5.391 -19.346 1.00 0.00 C ATOM 0 H ALA A 9 1.028 -7.709 -19.863 1.00 0.00 H new ATOM 0 HA ALA A 9 2.365 -6.440 -21.187 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.390 -4.615 -19.824 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.768 -5.040 -19.229 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.213 -5.619 -18.366 1.00 0.00 H new ATOM 124 N THR A 10 4.419 -8.365 -20.813 1.00 0.00 N ATOM 125 CA THR A 10 5.755 -8.900 -21.064 1.00 0.00 C ATOM 126 C THR A 10 6.557 -9.006 -19.774 1.00 0.00 C ATOM 127 O THR A 10 7.310 -9.960 -19.576 1.00 0.00 O ATOM 128 CB THR A 10 6.495 -7.995 -22.054 1.00 0.00 C ATOM 129 OG1 THR A 10 5.596 -7.582 -23.074 1.00 0.00 O ATOM 130 CG2 THR A 10 7.662 -8.757 -22.685 1.00 0.00 C ATOM 0 H THR A 10 3.660 -9.031 -20.956 1.00 0.00 H new ATOM 0 HA THR A 10 5.648 -9.900 -21.484 1.00 0.00 H new ATOM 0 HB THR A 10 6.880 -7.123 -21.525 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.066 -7.001 -23.708 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.183 -8.107 -23.388 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.353 -9.076 -21.904 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.282 -9.632 -23.213 1.00 0.00 H new ATOM 138 N SER A 11 6.395 -8.025 -18.901 1.00 0.00 N ATOM 139 CA SER A 11 7.110 -8.014 -17.635 1.00 0.00 C ATOM 140 C SER A 11 6.713 -9.212 -16.779 1.00 0.00 C ATOM 141 O SER A 11 5.798 -9.958 -17.127 1.00 0.00 O ATOM 142 CB SER A 11 6.795 -6.725 -16.890 1.00 0.00 C ATOM 143 OG SER A 11 7.698 -6.577 -15.802 1.00 0.00 O ATOM 0 H SER A 11 5.776 -7.227 -19.045 1.00 0.00 H new ATOM 0 HA SER A 11 8.180 -8.074 -17.836 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.878 -5.873 -17.564 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.768 -6.744 -16.525 1.00 0.00 H new ATOM 0 HG SER A 11 7.498 -5.747 -15.322 1.00 0.00 H new ATOM 149 N GLU A 12 7.408 -9.393 -15.659 1.00 0.00 N ATOM 150 CA GLU A 12 7.116 -10.508 -14.764 1.00 0.00 C ATOM 151 C GLU A 12 5.636 -10.514 -14.388 1.00 0.00 C ATOM 152 O GLU A 12 5.031 -9.458 -14.199 1.00 0.00 O ATOM 153 CB GLU A 12 7.971 -10.402 -13.498 1.00 0.00 C ATOM 154 CG GLU A 12 9.450 -10.543 -13.864 1.00 0.00 C ATOM 155 CD GLU A 12 9.693 -11.901 -14.510 1.00 0.00 C ATOM 156 OE1 GLU A 12 8.858 -12.773 -14.337 1.00 0.00 O ATOM 157 OE2 GLU A 12 10.709 -12.049 -15.169 1.00 0.00 O ATOM 0 H GLU A 12 8.170 -8.788 -15.352 1.00 0.00 H new ATOM 0 HA GLU A 12 7.353 -11.439 -15.280 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.797 -9.444 -13.009 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.686 -11.179 -12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.743 -9.747 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.067 -10.439 -12.971 1.00 0.00 H new ATOM 164 N SER A 13 5.056 -11.709 -14.290 1.00 0.00 N ATOM 165 CA SER A 13 3.642 -11.839 -13.943 1.00 0.00 C ATOM 166 C SER A 13 3.359 -11.219 -12.581 1.00 0.00 C ATOM 167 O SER A 13 2.329 -10.573 -12.382 1.00 0.00 O ATOM 168 CB SER A 13 3.243 -13.316 -13.926 1.00 0.00 C ATOM 169 OG SER A 13 1.833 -13.421 -13.773 1.00 0.00 O ATOM 0 H SER A 13 5.539 -12.594 -14.445 1.00 0.00 H new ATOM 0 HA SER A 13 3.056 -11.311 -14.695 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.557 -13.800 -14.851 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.748 -13.832 -13.109 1.00 0.00 H new ATOM 0 HG SER A 13 1.574 -14.366 -13.763 1.00 0.00 H new ATOM 175 N VAL A 14 4.280 -11.415 -11.646 1.00 0.00 N ATOM 176 CA VAL A 14 4.121 -10.865 -10.305 1.00 0.00 C ATOM 177 C VAL A 14 5.475 -10.507 -9.708 1.00 0.00 C ATOM 178 O VAL A 14 6.328 -11.373 -9.511 1.00 0.00 O ATOM 179 CB VAL A 14 3.414 -11.876 -9.402 1.00 0.00 C ATOM 180 CG1 VAL A 14 3.275 -11.297 -7.993 1.00 0.00 C ATOM 181 CG2 VAL A 14 2.023 -12.170 -9.965 1.00 0.00 C ATOM 0 H VAL A 14 5.139 -11.946 -11.789 1.00 0.00 H new ATOM 0 HA VAL A 14 3.517 -9.960 -10.376 1.00 0.00 H new ATOM 0 HB VAL A 14 3.998 -12.796 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.771 -12.019 -7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.264 -11.081 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.691 -10.378 -8.033 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.516 -12.891 -9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.444 -11.248 -10.003 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.117 -12.582 -10.970 1.00 0.00 H new ATOM 191 N THR A 15 5.665 -9.227 -9.417 1.00 0.00 N ATOM 192 CA THR A 15 6.918 -8.769 -8.837 1.00 0.00 C ATOM 193 C THR A 15 6.675 -8.172 -7.459 1.00 0.00 C ATOM 194 O THR A 15 6.559 -8.892 -6.468 1.00 0.00 O ATOM 195 CB THR A 15 7.564 -7.718 -9.746 1.00 0.00 C ATOM 196 OG1 THR A 15 8.084 -8.355 -10.905 1.00 0.00 O ATOM 197 CG2 THR A 15 8.696 -7.016 -8.995 1.00 0.00 C ATOM 0 H THR A 15 4.973 -8.494 -9.572 1.00 0.00 H new ATOM 0 HA THR A 15 7.589 -9.623 -8.741 1.00 0.00 H new ATOM 0 HB THR A 15 6.816 -6.981 -10.039 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.496 -7.685 -11.489 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.154 -6.269 -9.643 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.296 -6.529 -8.106 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.446 -7.749 -8.700 1.00 0.00 H new ATOM 205 N GLU A 16 6.584 -6.851 -7.405 1.00 0.00 N ATOM 206 CA GLU A 16 6.345 -6.170 -6.144 1.00 0.00 C ATOM 207 C GLU A 16 6.975 -6.940 -4.989 1.00 0.00 C ATOM 208 O GLU A 16 6.499 -6.868 -3.860 1.00 0.00 O ATOM 209 CB GLU A 16 4.839 -6.038 -5.913 1.00 0.00 C ATOM 210 CG GLU A 16 4.245 -7.407 -5.571 1.00 0.00 C ATOM 211 CD GLU A 16 2.727 -7.305 -5.461 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.181 -6.329 -5.948 1.00 0.00 O ATOM 213 OE2 GLU A 16 2.134 -8.203 -4.885 1.00 0.00 O ATOM 0 H GLU A 16 6.671 -6.235 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 16 6.799 -5.180 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.646 -5.335 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.359 -5.636 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.514 -8.132 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.662 -7.769 -4.631 1.00 0.00 H new ATOM 220 N ILE A 17 8.045 -7.682 -5.272 1.00 0.00 N ATOM 221 CA ILE A 17 8.698 -8.458 -4.223 1.00 0.00 C ATOM 222 C ILE A 17 9.585 -7.574 -3.349 1.00 0.00 C ATOM 223 O ILE A 17 9.153 -7.115 -2.294 1.00 0.00 O ATOM 224 CB ILE A 17 9.550 -9.585 -4.821 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.694 -10.473 -5.726 1.00 0.00 C ATOM 226 CG2 ILE A 17 10.133 -10.433 -3.689 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.484 -11.729 -6.106 1.00 0.00 C ATOM 0 H ILE A 17 8.469 -7.761 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 17 7.908 -8.889 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 17 10.355 -9.146 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.773 -10.751 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.407 -9.926 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.739 -11.235 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.754 -9.807 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.322 -10.862 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.874 -12.361 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.393 -11.441 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.749 -12.279 -5.203 1.00 0.00 H new ATOM 239 N THR A 18 10.829 -7.361 -3.796 1.00 0.00 N ATOM 240 CA THR A 18 11.793 -6.548 -3.047 1.00 0.00 C ATOM 241 C THR A 18 11.237 -6.168 -1.680 1.00 0.00 C ATOM 242 O THR A 18 10.306 -5.367 -1.579 1.00 0.00 O ATOM 243 CB THR A 18 12.144 -5.287 -3.837 1.00 0.00 C ATOM 244 OG1 THR A 18 11.022 -4.416 -3.855 1.00 0.00 O ATOM 245 CG2 THR A 18 12.519 -5.673 -5.269 1.00 0.00 C ATOM 0 H THR A 18 11.190 -7.740 -4.671 1.00 0.00 H new ATOM 0 HA THR A 18 12.696 -7.140 -2.899 1.00 0.00 H new ATOM 0 HB THR A 18 12.987 -4.782 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.564 -4.455 -2.990 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.770 -4.775 -5.834 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.379 -6.343 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.676 -6.176 -5.743 1.00 0.00 H new ATOM 253 N ALA A 19 11.797 -6.762 -0.632 1.00 0.00 N ATOM 254 CA ALA A 19 11.331 -6.490 0.721 1.00 0.00 C ATOM 255 C ALA A 19 9.947 -7.092 0.919 1.00 0.00 C ATOM 256 O ALA A 19 9.183 -6.653 1.778 1.00 0.00 O ATOM 257 CB ALA A 19 11.277 -4.981 0.966 1.00 0.00 C ATOM 0 H ALA A 19 12.567 -7.429 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 19 12.025 -6.939 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.927 -4.789 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.273 -4.556 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.592 -4.521 0.253 1.00 0.00 H new ATOM 263 N SER A 20 9.633 -8.101 0.111 1.00 0.00 N ATOM 264 CA SER A 20 8.338 -8.759 0.203 1.00 0.00 C ATOM 265 C SER A 20 7.223 -7.737 0.023 1.00 0.00 C ATOM 266 O SER A 20 6.084 -7.960 0.430 1.00 0.00 O ATOM 267 CB SER A 20 8.208 -9.442 1.562 1.00 0.00 C ATOM 268 OG SER A 20 9.086 -8.815 2.488 1.00 0.00 O ATOM 0 H SER A 20 10.252 -8.476 -0.607 1.00 0.00 H new ATOM 0 HA SER A 20 8.257 -9.509 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.180 -9.378 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.449 -10.501 1.474 1.00 0.00 H new ATOM 0 HG SER A 20 8.749 -7.921 2.705 1.00 0.00 H new ATOM 274 N SER A 21 7.572 -6.614 -0.589 1.00 0.00 N ATOM 275 CA SER A 21 6.617 -5.540 -0.825 1.00 0.00 C ATOM 276 C SER A 21 5.432 -6.027 -1.651 1.00 0.00 C ATOM 277 O SER A 21 5.355 -7.195 -2.028 1.00 0.00 O ATOM 278 CB SER A 21 7.303 -4.398 -1.574 1.00 0.00 C ATOM 279 OG SER A 21 7.172 -4.610 -2.973 1.00 0.00 O ATOM 0 H SER A 21 8.513 -6.423 -0.932 1.00 0.00 H new ATOM 0 HA SER A 21 6.253 -5.195 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.855 -3.444 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.357 -4.348 -1.299 1.00 0.00 H new ATOM 0 HG SER A 21 7.241 -5.568 -3.167 1.00 0.00 H new ATOM 285 N PHE A 22 4.521 -5.105 -1.936 1.00 0.00 N ATOM 286 CA PHE A 22 3.343 -5.409 -2.740 1.00 0.00 C ATOM 287 C PHE A 22 2.946 -4.197 -3.558 1.00 0.00 C ATOM 288 O PHE A 22 3.104 -3.065 -3.120 1.00 0.00 O ATOM 289 CB PHE A 22 2.118 -5.737 -1.877 1.00 0.00 C ATOM 290 CG PHE A 22 2.216 -7.055 -1.146 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.910 -8.158 -1.675 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.555 -7.172 0.077 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.938 -9.364 -0.970 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.588 -8.377 0.782 1.00 0.00 C ATOM 295 CZ PHE A 22 2.278 -9.473 0.260 1.00 0.00 C ATOM 0 H PHE A 22 4.576 -4.136 -1.621 1.00 0.00 H new ATOM 0 HA PHE A 22 3.615 -6.265 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.976 -4.939 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.232 -5.751 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.420 -8.073 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.016 -6.327 0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.469 -10.213 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.080 -8.461 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.303 -10.405 0.805 1.00 0.00 H new ATOM 305 N VAL A 23 2.372 -4.449 -4.719 1.00 0.00 N ATOM 306 CA VAL A 23 1.886 -3.370 -5.556 1.00 0.00 C ATOM 307 C VAL A 23 0.408 -3.604 -5.829 1.00 0.00 C ATOM 308 O VAL A 23 0.043 -4.455 -6.639 1.00 0.00 O ATOM 309 CB VAL A 23 2.664 -3.301 -6.871 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.911 -2.409 -7.857 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.048 -2.703 -6.611 1.00 0.00 C ATOM 0 H VAL A 23 2.232 -5.384 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 23 2.028 -2.420 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 23 2.768 -4.304 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.463 -2.357 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.920 -2.825 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.812 -1.407 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.604 -2.653 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.939 -1.700 -6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.588 -3.330 -5.901 1.00 0.00 H new ATOM 321 N VAL A 24 -0.441 -2.861 -5.129 1.00 0.00 N ATOM 322 CA VAL A 24 -1.877 -3.018 -5.290 1.00 0.00 C ATOM 323 C VAL A 24 -2.479 -1.802 -5.977 1.00 0.00 C ATOM 324 O VAL A 24 -2.155 -0.662 -5.645 1.00 0.00 O ATOM 325 CB VAL A 24 -2.540 -3.218 -3.922 1.00 0.00 C ATOM 326 CG1 VAL A 24 -4.062 -3.210 -4.094 1.00 0.00 C ATOM 327 CG2 VAL A 24 -2.103 -4.564 -3.330 1.00 0.00 C ATOM 0 H VAL A 24 -0.162 -2.151 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.057 -3.895 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.240 -2.413 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.539 -3.352 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.375 -2.255 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.357 -4.017 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.575 -4.704 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.403 -5.370 -3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.019 -4.575 -3.212 1.00 0.00 H new ATOM 337 N SER A 25 -3.359 -2.056 -6.938 1.00 0.00 N ATOM 338 CA SER A 25 -4.004 -0.979 -7.669 1.00 0.00 C ATOM 339 C SER A 25 -5.512 -1.173 -7.678 1.00 0.00 C ATOM 340 O SER A 25 -6.006 -2.296 -7.571 1.00 0.00 O ATOM 341 CB SER A 25 -3.479 -0.930 -9.104 1.00 0.00 C ATOM 342 OG SER A 25 -3.835 -2.132 -9.776 1.00 0.00 O ATOM 0 H SER A 25 -3.639 -2.993 -7.226 1.00 0.00 H new ATOM 0 HA SER A 25 -3.774 -0.037 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.897 -0.070 -9.627 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.396 -0.807 -9.103 1.00 0.00 H new ATOM 0 HG SER A 25 -3.501 -2.103 -10.697 1.00 0.00 H new ATOM 348 N TRP A 26 -6.237 -0.072 -7.807 1.00 0.00 N ATOM 349 CA TRP A 26 -7.691 -0.124 -7.831 1.00 0.00 C ATOM 350 C TRP A 26 -8.237 0.923 -8.790 1.00 0.00 C ATOM 351 O TRP A 26 -7.479 1.562 -9.522 1.00 0.00 O ATOM 352 CB TRP A 26 -8.238 0.126 -6.426 1.00 0.00 C ATOM 353 CG TRP A 26 -7.655 1.393 -5.890 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.138 2.632 -6.127 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.490 1.564 -5.033 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.342 3.556 -5.473 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.315 2.946 -4.782 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.578 0.666 -4.455 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.273 3.419 -3.986 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.529 1.138 -3.652 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.376 2.511 -3.417 1.00 0.00 C ATOM 0 H TRP A 26 -5.844 0.865 -7.896 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.005 -1.111 -8.171 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.325 0.195 -6.453 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.988 -0.709 -5.771 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -9.004 2.864 -6.729 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.496 4.564 -5.499 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.685 -0.394 -4.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -5.160 4.479 -3.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.834 0.438 -3.212 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.566 2.867 -2.797 1.00 0.00 H new ATOM 372 N VAL A 27 -9.549 1.103 -8.782 1.00 0.00 N ATOM 373 CA VAL A 27 -10.170 2.084 -9.657 1.00 0.00 C ATOM 374 C VAL A 27 -11.001 3.063 -8.839 1.00 0.00 C ATOM 375 O VAL A 27 -11.839 2.656 -8.036 1.00 0.00 O ATOM 376 CB VAL A 27 -11.061 1.382 -10.682 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.553 2.402 -11.711 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.258 0.289 -11.390 1.00 0.00 C ATOM 0 H VAL A 27 -10.198 0.589 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.387 2.632 -10.180 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.916 0.934 -10.176 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.188 1.903 -12.443 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.124 3.182 -11.206 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.698 2.849 -12.218 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.892 -0.212 -12.121 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.403 0.736 -11.897 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.906 -0.437 -10.657 1.00 0.00 H new ATOM 388 N SER A 28 -10.768 4.352 -9.048 1.00 0.00 N ATOM 389 CA SER A 28 -11.512 5.369 -8.318 1.00 0.00 C ATOM 390 C SER A 28 -13.005 5.050 -8.362 1.00 0.00 C ATOM 391 O SER A 28 -13.579 4.886 -9.438 1.00 0.00 O ATOM 392 CB SER A 28 -11.256 6.746 -8.932 1.00 0.00 C ATOM 393 OG SER A 28 -10.347 6.615 -10.017 1.00 0.00 O ATOM 0 H SER A 28 -10.080 4.715 -9.708 1.00 0.00 H new ATOM 0 HA SER A 28 -11.179 5.377 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.193 7.182 -9.278 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.848 7.422 -8.180 1.00 0.00 H new ATOM 0 HG SER A 28 -10.182 7.496 -10.414 1.00 0.00 H new ATOM 399 N ALA A 29 -13.624 4.952 -7.192 1.00 0.00 N ATOM 400 CA ALA A 29 -15.047 4.638 -7.117 1.00 0.00 C ATOM 401 C ALA A 29 -15.846 5.822 -6.592 1.00 0.00 C ATOM 402 O ALA A 29 -16.893 5.646 -5.970 1.00 0.00 O ATOM 403 CB ALA A 29 -15.265 3.431 -6.203 1.00 0.00 C ATOM 0 H ALA A 29 -13.169 5.084 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.395 4.407 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.329 3.201 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.727 2.571 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.894 3.659 -5.204 1.00 0.00 H new ATOM 409 N SER A 30 -15.350 7.028 -6.838 1.00 0.00 N ATOM 410 CA SER A 30 -16.040 8.221 -6.370 1.00 0.00 C ATOM 411 C SER A 30 -15.740 9.416 -7.267 1.00 0.00 C ATOM 412 O SER A 30 -16.605 10.259 -7.504 1.00 0.00 O ATOM 413 CB SER A 30 -15.601 8.531 -4.940 1.00 0.00 C ATOM 414 OG SER A 30 -16.560 8.008 -4.031 1.00 0.00 O ATOM 0 H SER A 30 -14.486 7.204 -7.351 1.00 0.00 H new ATOM 0 HA SER A 30 -17.113 8.034 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.622 8.094 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.502 9.608 -4.803 1.00 0.00 H new ATOM 0 HG SER A 30 -16.284 7.113 -3.743 1.00 0.00 H new ATOM 420 N ASP A 31 -14.506 9.494 -7.751 1.00 0.00 N ATOM 421 CA ASP A 31 -14.101 10.604 -8.604 1.00 0.00 C ATOM 422 C ASP A 31 -14.092 11.898 -7.797 1.00 0.00 C ATOM 423 O ASP A 31 -13.311 12.809 -8.070 1.00 0.00 O ATOM 424 CB ASP A 31 -15.056 10.736 -9.792 1.00 0.00 C ATOM 425 CG ASP A 31 -14.444 11.644 -10.852 1.00 0.00 C ATOM 426 OD1 ASP A 31 -13.278 11.979 -10.714 1.00 0.00 O ATOM 427 OD2 ASP A 31 -15.146 11.990 -11.787 1.00 0.00 O ATOM 0 H ASP A 31 -13.774 8.808 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.097 10.410 -8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.260 9.753 -10.217 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.010 11.144 -9.459 1.00 0.00 H new ATOM 432 N THR A 32 -14.949 11.954 -6.783 1.00 0.00 N ATOM 433 CA THR A 32 -15.022 13.119 -5.915 1.00 0.00 C ATOM 434 C THR A 32 -14.122 12.890 -4.710 1.00 0.00 C ATOM 435 O THR A 32 -14.026 13.727 -3.814 1.00 0.00 O ATOM 436 CB THR A 32 -16.463 13.340 -5.445 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.355 13.062 -6.514 1.00 0.00 O ATOM 438 CG2 THR A 32 -16.644 14.790 -4.993 1.00 0.00 C ATOM 0 H THR A 32 -15.601 11.207 -6.544 1.00 0.00 H new ATOM 0 HA THR A 32 -14.695 14.002 -6.464 1.00 0.00 H new ATOM 0 HB THR A 32 -16.676 12.675 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.278 13.201 -6.215 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.671 14.942 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.960 15.003 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.430 15.460 -5.826 1.00 0.00 H new ATOM 446 N VAL A 33 -13.465 11.734 -4.710 1.00 0.00 N ATOM 447 CA VAL A 33 -12.566 11.361 -3.633 1.00 0.00 C ATOM 448 C VAL A 33 -11.514 12.442 -3.422 1.00 0.00 C ATOM 449 O VAL A 33 -11.042 13.053 -4.379 1.00 0.00 O ATOM 450 CB VAL A 33 -11.890 10.029 -3.983 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.513 10.018 -5.465 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.625 9.851 -3.147 1.00 0.00 C ATOM 0 H VAL A 33 -13.542 11.038 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.135 11.252 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.584 9.215 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.033 9.071 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.412 10.137 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.825 10.838 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.151 8.903 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.934 10.669 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.885 9.854 -2.088 1.00 0.00 H new ATOM 462 N SER A 34 -11.154 12.668 -2.165 1.00 0.00 N ATOM 463 CA SER A 34 -10.149 13.676 -1.841 1.00 0.00 C ATOM 464 C SER A 34 -8.787 13.012 -1.724 1.00 0.00 C ATOM 465 O SER A 34 -7.747 13.666 -1.802 1.00 0.00 O ATOM 466 CB SER A 34 -10.501 14.369 -0.524 1.00 0.00 C ATOM 467 OG SER A 34 -11.625 15.214 -0.726 1.00 0.00 O ATOM 0 H SER A 34 -11.537 12.173 -1.360 1.00 0.00 H new ATOM 0 HA SER A 34 -10.124 14.423 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.722 13.627 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.652 14.952 -0.168 1.00 0.00 H new ATOM 0 HG SER A 34 -11.499 16.050 -0.230 1.00 0.00 H new ATOM 473 N GLY A 35 -8.814 11.701 -1.546 1.00 0.00 N ATOM 474 CA GLY A 35 -7.598 10.917 -1.427 1.00 0.00 C ATOM 475 C GLY A 35 -7.948 9.460 -1.164 1.00 0.00 C ATOM 476 O GLY A 35 -9.121 9.103 -1.058 1.00 0.00 O ATOM 0 H GLY A 35 -9.673 11.155 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.010 11.000 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.982 11.305 -0.616 1.00 0.00 H new ATOM 480 N PHE A 36 -6.933 8.625 -1.040 1.00 0.00 N ATOM 481 CA PHE A 36 -7.157 7.214 -0.768 1.00 0.00 C ATOM 482 C PHE A 36 -6.398 6.797 0.477 1.00 0.00 C ATOM 483 O PHE A 36 -5.354 7.360 0.796 1.00 0.00 O ATOM 484 CB PHE A 36 -6.702 6.355 -1.952 1.00 0.00 C ATOM 485 CG PHE A 36 -7.613 6.583 -3.131 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.788 5.834 -3.263 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.280 7.538 -4.096 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.631 6.041 -4.361 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.121 7.747 -5.195 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.298 6.998 -5.328 1.00 0.00 C ATOM 0 H PHE A 36 -5.953 8.894 -1.122 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.225 7.063 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.676 6.605 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.711 5.301 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.044 5.096 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.373 8.115 -3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.538 5.463 -4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.863 8.485 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.948 7.159 -6.176 1.00 0.00 H new ATOM 500 N ARG A 37 -6.920 5.803 1.171 1.00 0.00 N ATOM 501 CA ARG A 37 -6.269 5.316 2.371 1.00 0.00 C ATOM 502 C ARG A 37 -6.161 3.805 2.305 1.00 0.00 C ATOM 503 O ARG A 37 -7.159 3.106 2.132 1.00 0.00 O ATOM 504 CB ARG A 37 -7.060 5.717 3.615 1.00 0.00 C ATOM 505 CG ARG A 37 -6.173 5.543 4.848 1.00 0.00 C ATOM 506 CD ARG A 37 -6.983 5.830 6.113 1.00 0.00 C ATOM 507 NE ARG A 37 -7.868 4.709 6.409 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.312 4.491 7.642 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.953 5.282 8.616 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.103 3.480 7.882 1.00 0.00 N ATOM 0 H ARG A 37 -7.785 5.321 0.927 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.275 5.758 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.391 6.752 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.955 5.102 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.776 4.528 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.319 6.218 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.310 6.003 6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.568 6.740 5.980 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.151 4.082 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.331 6.069 8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.295 5.113 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.380 2.858 7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.444 3.313 8.829 1.00 0.00 H new ATOM 524 N VAL A 38 -4.947 3.304 2.445 1.00 0.00 N ATOM 525 CA VAL A 38 -4.736 1.866 2.399 1.00 0.00 C ATOM 526 C VAL A 38 -4.385 1.338 3.777 1.00 0.00 C ATOM 527 O VAL A 38 -3.508 1.873 4.454 1.00 0.00 O ATOM 528 CB VAL A 38 -3.621 1.519 1.410 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.435 0.002 1.357 1.00 0.00 C ATOM 530 CG2 VAL A 38 -4.006 2.029 0.020 1.00 0.00 C ATOM 0 H VAL A 38 -4.104 3.860 2.589 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.661 1.396 2.065 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.691 1.987 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.640 -0.243 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.168 -0.367 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.364 -0.467 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.215 1.785 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.936 1.556 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.142 3.110 0.054 1.00 0.00 H new ATOM 540 N GLU A 39 -5.066 0.277 4.183 1.00 0.00 N ATOM 541 CA GLU A 39 -4.802 -0.316 5.477 1.00 0.00 C ATOM 542 C GLU A 39 -4.390 -1.767 5.299 1.00 0.00 C ATOM 543 O GLU A 39 -5.073 -2.535 4.623 1.00 0.00 O ATOM 544 CB GLU A 39 -6.047 -0.250 6.363 1.00 0.00 C ATOM 545 CG GLU A 39 -5.689 -0.728 7.774 1.00 0.00 C ATOM 546 CD GLU A 39 -6.955 -0.867 8.613 1.00 0.00 C ATOM 547 OE1 GLU A 39 -8.011 -0.504 8.121 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.849 -1.330 9.736 1.00 0.00 O ATOM 0 H GLU A 39 -5.796 -0.184 3.640 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.997 0.242 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.429 0.770 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.838 -0.872 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.170 -1.685 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.006 -0.020 8.245 1.00 0.00 H new ATOM 555 N TYR A 40 -3.272 -2.142 5.905 1.00 0.00 N ATOM 556 CA TYR A 40 -2.799 -3.510 5.793 1.00 0.00 C ATOM 557 C TYR A 40 -2.313 -4.032 7.138 1.00 0.00 C ATOM 558 O TYR A 40 -1.682 -3.312 7.911 1.00 0.00 O ATOM 559 CB TYR A 40 -1.682 -3.597 4.749 1.00 0.00 C ATOM 560 CG TYR A 40 -0.472 -2.828 5.217 1.00 0.00 C ATOM 561 CD1 TYR A 40 0.518 -3.468 5.971 1.00 0.00 C ATOM 562 CD2 TYR A 40 -0.333 -1.475 4.882 1.00 0.00 C ATOM 563 CE1 TYR A 40 1.646 -2.755 6.392 1.00 0.00 C ATOM 564 CE2 TYR A 40 0.794 -0.762 5.305 1.00 0.00 C ATOM 565 CZ TYR A 40 1.784 -1.403 6.059 1.00 0.00 C ATOM 566 OH TYR A 40 2.898 -0.703 6.471 1.00 0.00 O ATOM 0 H TYR A 40 -2.685 -1.528 6.470 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.632 -4.135 5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.415 -4.640 4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.031 -3.196 3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.412 -4.512 6.228 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.096 -0.982 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.410 -3.248 6.974 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.900 0.282 5.050 1.00 0.00 H new ATOM 0 HH TYR A 40 2.838 0.223 6.155 1.00 0.00 H new ATOM 576 N GLU A 41 -2.628 -5.295 7.407 1.00 0.00 N ATOM 577 CA GLU A 41 -2.241 -5.931 8.659 1.00 0.00 C ATOM 578 C GLU A 41 -2.018 -7.426 8.438 1.00 0.00 C ATOM 579 O GLU A 41 -2.441 -7.977 7.421 1.00 0.00 O ATOM 580 CB GLU A 41 -3.340 -5.721 9.705 1.00 0.00 C ATOM 581 CG GLU A 41 -4.537 -6.613 9.370 1.00 0.00 C ATOM 582 CD GLU A 41 -5.704 -6.300 10.301 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.644 -6.702 11.451 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.642 -5.664 9.848 1.00 0.00 O ATOM 0 H GLU A 41 -3.151 -5.898 6.773 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.314 -5.482 9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.962 -5.959 10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.646 -4.675 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.837 -6.457 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.257 -7.662 9.466 1.00 0.00 H new ATOM 591 N LEU A 42 -1.355 -8.080 9.386 1.00 0.00 N ATOM 592 CA LEU A 42 -1.095 -9.511 9.263 1.00 0.00 C ATOM 593 C LEU A 42 -2.360 -10.321 9.509 1.00 0.00 C ATOM 594 O LEU A 42 -3.047 -10.136 10.516 1.00 0.00 O ATOM 595 CB LEU A 42 -0.012 -9.933 10.253 1.00 0.00 C ATOM 596 CG LEU A 42 1.347 -9.450 9.748 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.340 -9.434 10.905 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.853 -10.397 8.656 1.00 0.00 C ATOM 0 H LEU A 42 -0.992 -7.650 10.237 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.754 -9.706 8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.218 -9.512 11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.007 -11.017 10.365 1.00 0.00 H new ATOM 0 HG LEU A 42 1.247 -8.445 9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.310 -9.090 10.547 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.981 -8.761 11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.440 -10.440 11.313 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.822 -10.052 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.954 -11.402 9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.143 -10.411 7.829 1.00 0.00 H new ATOM 610 N SER A 43 -2.662 -11.217 8.578 1.00 0.00 N ATOM 611 CA SER A 43 -3.849 -12.056 8.688 1.00 0.00 C ATOM 612 C SER A 43 -3.681 -13.095 9.792 1.00 0.00 C ATOM 613 O SER A 43 -4.664 -13.631 10.305 1.00 0.00 O ATOM 614 CB SER A 43 -4.100 -12.771 7.363 1.00 0.00 C ATOM 615 OG SER A 43 -3.224 -13.885 7.262 1.00 0.00 O ATOM 0 H SER A 43 -2.103 -11.381 7.741 1.00 0.00 H new ATOM 0 HA SER A 43 -4.696 -11.416 8.933 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.137 -13.102 7.305 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.936 -12.087 6.530 1.00 0.00 H new ATOM 0 HG SER A 43 -3.739 -14.715 7.342 1.00 0.00 H new ATOM 621 N GLU A 44 -2.434 -13.384 10.148 1.00 0.00 N ATOM 622 CA GLU A 44 -2.156 -14.371 11.186 1.00 0.00 C ATOM 623 C GLU A 44 -1.942 -13.701 12.531 1.00 0.00 C ATOM 624 O GLU A 44 -2.702 -13.916 13.476 1.00 0.00 O ATOM 625 CB GLU A 44 -0.896 -15.160 10.831 1.00 0.00 C ATOM 626 CG GLU A 44 -1.123 -15.938 9.534 1.00 0.00 C ATOM 627 CD GLU A 44 0.106 -16.782 9.210 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.122 -16.585 9.854 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.011 -17.612 8.320 1.00 0.00 O ATOM 0 H GLU A 44 -1.606 -12.953 9.737 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.015 -15.038 11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.051 -14.481 10.716 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.646 -15.847 11.639 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.999 -16.579 9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.325 -15.247 8.716 1.00 0.00 H new ATOM 636 N GLU A 45 -0.893 -12.900 12.608 1.00 0.00 N ATOM 637 CA GLU A 45 -0.562 -12.207 13.837 1.00 0.00 C ATOM 638 C GLU A 45 -1.665 -11.229 14.217 1.00 0.00 C ATOM 639 O GLU A 45 -1.950 -11.025 15.397 1.00 0.00 O ATOM 640 CB GLU A 45 0.755 -11.465 13.648 1.00 0.00 C ATOM 641 CG GLU A 45 1.856 -12.489 13.380 1.00 0.00 C ATOM 642 CD GLU A 45 2.086 -13.346 14.619 1.00 0.00 C ATOM 643 OE1 GLU A 45 1.655 -12.938 15.686 1.00 0.00 O ATOM 644 OE2 GLU A 45 2.691 -14.397 14.487 1.00 0.00 O ATOM 0 H GLU A 45 -0.257 -12.715 11.832 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.463 -12.934 14.643 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.679 -10.765 12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.991 -10.880 14.537 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.578 -13.122 12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.779 -11.979 13.105 1.00 0.00 H new ATOM 651 N GLY A 46 -2.284 -10.628 13.209 1.00 0.00 N ATOM 652 CA GLY A 46 -3.356 -9.671 13.451 1.00 0.00 C ATOM 653 C GLY A 46 -2.824 -8.445 14.180 1.00 0.00 C ATOM 654 O GLY A 46 -3.575 -7.731 14.843 1.00 0.00 O ATOM 0 H GLY A 46 -2.065 -10.784 12.225 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.804 -9.372 12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.143 -10.140 14.042 1.00 0.00 H new ATOM 658 N ASP A 47 -1.520 -8.212 14.057 1.00 0.00 N ATOM 659 CA ASP A 47 -0.893 -7.071 14.714 1.00 0.00 C ATOM 660 C ASP A 47 -1.698 -5.804 14.468 1.00 0.00 C ATOM 661 O ASP A 47 -2.810 -5.855 13.943 1.00 0.00 O ATOM 662 CB ASP A 47 0.529 -6.873 14.190 1.00 0.00 C ATOM 663 CG ASP A 47 1.300 -5.943 15.119 1.00 0.00 C ATOM 664 OD1 ASP A 47 0.938 -5.868 16.283 1.00 0.00 O ATOM 665 OD2 ASP A 47 2.242 -5.321 14.657 1.00 0.00 O ATOM 0 H ASP A 47 -0.882 -8.793 13.513 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.861 -7.273 15.785 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.037 -7.835 14.120 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.500 -6.454 13.184 1.00 0.00 H new ATOM 670 N GLU A 48 -1.127 -4.669 14.846 1.00 0.00 N ATOM 671 CA GLU A 48 -1.803 -3.395 14.655 1.00 0.00 C ATOM 672 C GLU A 48 -1.793 -3.016 13.179 1.00 0.00 C ATOM 673 O GLU A 48 -0.791 -3.205 12.489 1.00 0.00 O ATOM 674 CB GLU A 48 -1.113 -2.300 15.465 1.00 0.00 C ATOM 675 CG GLU A 48 0.397 -2.544 15.474 1.00 0.00 C ATOM 676 CD GLU A 48 1.129 -1.247 15.794 1.00 0.00 C ATOM 677 OE1 GLU A 48 0.590 -0.457 16.551 1.00 0.00 O ATOM 678 OE2 GLU A 48 2.219 -1.061 15.279 1.00 0.00 O ATOM 0 H GLU A 48 -0.207 -4.604 15.282 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.833 -3.496 14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.331 -1.323 15.034 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.496 -2.292 16.485 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.647 -3.305 16.213 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.719 -2.924 14.504 1.00 0.00 H new ATOM 685 N PRO A 49 -2.881 -2.494 12.684 1.00 0.00 N ATOM 686 CA PRO A 49 -2.996 -2.085 11.257 1.00 0.00 C ATOM 687 C PRO A 49 -2.218 -0.807 10.956 1.00 0.00 C ATOM 688 O PRO A 49 -2.063 0.057 11.817 1.00 0.00 O ATOM 689 CB PRO A 49 -4.496 -1.867 11.068 1.00 0.00 C ATOM 690 CG PRO A 49 -5.010 -1.500 12.420 1.00 0.00 C ATOM 691 CD PRO A 49 -4.125 -2.231 13.429 1.00 0.00 C ATOM 0 HA PRO A 49 -2.578 -2.832 10.582 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.691 -1.076 10.344 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.981 -2.768 10.693 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.965 -0.422 12.573 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.053 -1.795 12.533 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.940 -1.621 14.313 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.589 -3.156 13.771 1.00 0.00 H new ATOM 699 N GLN A 50 -1.753 -0.690 9.720 1.00 0.00 N ATOM 700 CA GLN A 50 -1.014 0.492 9.296 1.00 0.00 C ATOM 701 C GLN A 50 -1.823 1.218 8.234 1.00 0.00 C ATOM 702 O GLN A 50 -2.591 0.591 7.513 1.00 0.00 O ATOM 703 CB GLN A 50 0.351 0.096 8.730 1.00 0.00 C ATOM 704 CG GLN A 50 1.186 -0.569 9.826 1.00 0.00 C ATOM 705 CD GLN A 50 0.943 -2.073 9.829 1.00 0.00 C ATOM 706 OE1 GLN A 50 0.639 -2.658 8.789 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.063 -2.739 10.945 1.00 0.00 N ATOM 0 H GLN A 50 -1.874 -1.397 8.995 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.852 1.145 10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.224 -0.587 7.890 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.868 0.977 8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.244 -0.364 9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.926 -0.149 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.315 -2.252 11.805 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.905 -3.747 10.957 1.00 0.00 H new ATOM 716 N TYR A 51 -1.675 2.533 8.146 1.00 0.00 N ATOM 717 CA TYR A 51 -2.444 3.288 7.164 1.00 0.00 C ATOM 718 C TYR A 51 -1.545 4.105 6.243 1.00 0.00 C ATOM 719 O TYR A 51 -0.609 4.766 6.692 1.00 0.00 O ATOM 720 CB TYR A 51 -3.405 4.235 7.884 1.00 0.00 C ATOM 721 CG TYR A 51 -4.217 3.467 8.900 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.358 2.761 8.499 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.829 3.467 10.245 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.111 2.056 9.446 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.583 2.761 11.192 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.724 2.056 10.792 1.00 0.00 C ATOM 727 OH TYR A 51 -6.467 1.362 11.726 1.00 0.00 O ATOM 0 H TYR A 51 -1.046 3.089 8.726 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.994 2.570 6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.845 5.029 8.378 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.067 4.713 7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.657 2.760 7.461 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.948 4.011 10.553 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.991 1.512 9.138 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.284 2.761 12.230 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.059 1.466 12.611 1.00 0.00 H new ATOM 737 N LEU A 52 -1.867 4.080 4.953 1.00 0.00 N ATOM 738 CA LEU A 52 -1.118 4.846 3.969 1.00 0.00 C ATOM 739 C LEU A 52 -2.074 5.782 3.246 1.00 0.00 C ATOM 740 O LEU A 52 -3.113 5.355 2.744 1.00 0.00 O ATOM 741 CB LEU A 52 -0.444 3.910 2.965 1.00 0.00 C ATOM 742 CG LEU A 52 0.367 2.864 3.724 1.00 0.00 C ATOM 743 CD1 LEU A 52 0.932 1.837 2.741 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.521 3.549 4.456 1.00 0.00 C ATOM 0 H LEU A 52 -2.640 3.538 4.568 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.342 5.424 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.195 3.424 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.205 4.478 2.298 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.278 2.361 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.511 1.091 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.112 1.347 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.576 2.340 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.101 2.803 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.163 4.052 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.123 4.281 5.159 1.00 0.00 H new ATOM 756 N ASP A 53 -1.735 7.061 3.215 1.00 0.00 N ATOM 757 CA ASP A 53 -2.601 8.040 2.569 1.00 0.00 C ATOM 758 C ASP A 53 -2.073 8.435 1.193 1.00 0.00 C ATOM 759 O ASP A 53 -0.895 8.753 1.031 1.00 0.00 O ATOM 760 CB ASP A 53 -2.728 9.283 3.447 1.00 0.00 C ATOM 761 CG ASP A 53 -3.206 8.889 4.841 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.100 8.064 4.930 1.00 0.00 O ATOM 763 OD2 ASP A 53 -2.668 9.418 5.801 1.00 0.00 O ATOM 0 H ASP A 53 -0.881 7.443 3.622 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.581 7.581 2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.766 9.792 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.430 9.986 2.998 1.00 0.00 H new ATOM 768 N LEU A 54 -2.964 8.409 0.207 1.00 0.00 N ATOM 769 CA LEU A 54 -2.603 8.761 -1.160 1.00 0.00 C ATOM 770 C LEU A 54 -3.585 9.804 -1.696 1.00 0.00 C ATOM 771 O LEU A 54 -4.718 9.893 -1.224 1.00 0.00 O ATOM 772 CB LEU A 54 -2.658 7.511 -2.047 1.00 0.00 C ATOM 773 CG LEU A 54 -2.132 6.292 -1.284 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.639 5.019 -1.958 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.603 6.298 -1.298 1.00 0.00 C ATOM 0 H LEU A 54 -3.942 8.147 0.330 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.593 9.170 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.683 7.331 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.063 7.669 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.484 6.329 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.267 4.148 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.729 5.012 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.284 4.986 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.231 5.430 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.248 6.261 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.238 7.208 -0.822 1.00 0.00 H new ATOM 787 N PRO A 55 -3.182 10.588 -2.662 1.00 0.00 N ATOM 788 CA PRO A 55 -4.062 11.637 -3.255 1.00 0.00 C ATOM 789 C PRO A 55 -5.214 11.046 -4.067 1.00 0.00 C ATOM 790 O PRO A 55 -5.166 9.890 -4.485 1.00 0.00 O ATOM 791 CB PRO A 55 -3.125 12.455 -4.145 1.00 0.00 C ATOM 792 CG PRO A 55 -1.955 11.573 -4.435 1.00 0.00 C ATOM 793 CD PRO A 55 -1.851 10.565 -3.290 1.00 0.00 C ATOM 0 HA PRO A 55 -4.546 12.235 -2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.625 12.755 -5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.809 13.369 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.087 11.060 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.041 12.161 -4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.602 9.570 -3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.072 10.847 -2.582 1.00 0.00 H new ATOM 801 N SER A 56 -6.248 11.854 -4.285 1.00 0.00 N ATOM 802 CA SER A 56 -7.409 11.407 -5.050 1.00 0.00 C ATOM 803 C SER A 56 -7.000 11.008 -6.464 1.00 0.00 C ATOM 804 O SER A 56 -7.743 10.318 -7.162 1.00 0.00 O ATOM 805 CB SER A 56 -8.465 12.510 -5.114 1.00 0.00 C ATOM 806 OG SER A 56 -7.855 13.723 -5.533 1.00 0.00 O ATOM 0 H SER A 56 -6.306 12.814 -3.946 1.00 0.00 H new ATOM 0 HA SER A 56 -7.831 10.538 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.258 12.230 -5.808 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.929 12.642 -4.136 1.00 0.00 H new ATOM 0 HG SER A 56 -8.531 14.431 -5.576 1.00 0.00 H new ATOM 812 N THR A 57 -5.814 11.440 -6.882 1.00 0.00 N ATOM 813 CA THR A 57 -5.329 11.109 -8.214 1.00 0.00 C ATOM 814 C THR A 57 -4.562 9.793 -8.179 1.00 0.00 C ATOM 815 O THR A 57 -4.223 9.231 -9.220 1.00 0.00 O ATOM 816 CB THR A 57 -4.410 12.219 -8.727 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.204 12.213 -7.977 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.105 13.572 -8.571 1.00 0.00 C ATOM 0 H THR A 57 -5.180 12.012 -6.325 1.00 0.00 H new ATOM 0 HA THR A 57 -6.184 11.010 -8.882 1.00 0.00 H new ATOM 0 HB THR A 57 -4.185 12.050 -9.780 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.612 12.922 -8.304 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.449 14.362 -8.937 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.031 13.574 -9.146 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.331 13.746 -7.519 1.00 0.00 H new ATOM 826 N ALA A 58 -4.301 9.300 -6.972 1.00 0.00 N ATOM 827 CA ALA A 58 -3.584 8.044 -6.813 1.00 0.00 C ATOM 828 C ALA A 58 -4.546 6.870 -6.943 1.00 0.00 C ATOM 829 O ALA A 58 -5.593 6.842 -6.295 1.00 0.00 O ATOM 830 CB ALA A 58 -2.903 7.998 -5.445 1.00 0.00 C ATOM 0 H ALA A 58 -4.574 9.749 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.827 7.974 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.369 7.054 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.198 8.825 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.656 8.082 -4.661 1.00 0.00 H new ATOM 836 N THR A 59 -4.186 5.900 -7.773 1.00 0.00 N ATOM 837 CA THR A 59 -5.028 4.727 -7.964 1.00 0.00 C ATOM 838 C THR A 59 -4.224 3.452 -7.741 1.00 0.00 C ATOM 839 O THR A 59 -4.677 2.358 -8.076 1.00 0.00 O ATOM 840 CB THR A 59 -5.622 4.728 -9.374 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.584 4.922 -10.326 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.650 5.854 -9.492 1.00 0.00 C ATOM 0 H THR A 59 -3.325 5.901 -8.320 1.00 0.00 H new ATOM 0 HA THR A 59 -5.839 4.762 -7.236 1.00 0.00 H new ATOM 0 HB THR A 59 -6.111 3.773 -9.565 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.964 4.921 -11.229 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.074 5.856 -10.496 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.445 5.699 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.165 6.811 -9.301 1.00 0.00 H new ATOM 850 N SER A 60 -3.032 3.597 -7.167 1.00 0.00 N ATOM 851 CA SER A 60 -2.179 2.446 -6.897 1.00 0.00 C ATOM 852 C SER A 60 -1.069 2.828 -5.926 1.00 0.00 C ATOM 853 O SER A 60 -0.606 3.969 -5.919 1.00 0.00 O ATOM 854 CB SER A 60 -1.567 1.925 -8.198 1.00 0.00 C ATOM 855 OG SER A 60 -0.562 2.830 -8.635 1.00 0.00 O ATOM 0 H SER A 60 -2.638 4.494 -6.882 1.00 0.00 H new ATOM 0 HA SER A 60 -2.789 1.661 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.139 0.935 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.338 1.822 -8.961 1.00 0.00 H new ATOM 0 HG SER A 60 -0.165 2.500 -9.468 1.00 0.00 H new ATOM 861 N VAL A 61 -0.650 1.871 -5.104 1.00 0.00 N ATOM 862 CA VAL A 61 0.406 2.132 -4.130 1.00 0.00 C ATOM 863 C VAL A 61 1.220 0.878 -3.840 1.00 0.00 C ATOM 864 O VAL A 61 0.701 -0.238 -3.869 1.00 0.00 O ATOM 865 CB VAL A 61 -0.200 2.647 -2.827 1.00 0.00 C ATOM 866 CG1 VAL A 61 -1.049 1.546 -2.185 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.924 3.046 -1.868 1.00 0.00 C ATOM 0 H VAL A 61 -1.019 0.920 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 61 1.069 2.885 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.828 3.513 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.481 1.915 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.849 1.259 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.422 0.679 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.494 3.414 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.550 2.178 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.529 3.830 -2.323 1.00 0.00 H new ATOM 877 N ASN A 62 2.501 1.077 -3.547 1.00 0.00 N ATOM 878 CA ASN A 62 3.387 -0.035 -3.233 1.00 0.00 C ATOM 879 C ASN A 62 3.647 -0.082 -1.728 1.00 0.00 C ATOM 880 O ASN A 62 4.039 0.919 -1.132 1.00 0.00 O ATOM 881 CB ASN A 62 4.711 0.127 -3.982 1.00 0.00 C ATOM 882 CG ASN A 62 5.528 -1.158 -3.892 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.410 -1.926 -2.844 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 6.295 -1.471 -4.801 1.00 0.00 N flip ATOM 0 H ASN A 62 2.946 1.994 -3.521 1.00 0.00 H new ATOM 0 HA ASN A 62 2.913 -0.966 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.519 0.372 -5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.277 0.957 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.387 -0.870 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.839 -2.331 -4.736 1.00 0.00 H new ATOM 891 N ILE A 63 3.421 -1.243 -1.117 1.00 0.00 N ATOM 892 CA ILE A 63 3.631 -1.394 0.322 1.00 0.00 C ATOM 893 C ILE A 63 4.949 -2.113 0.614 1.00 0.00 C ATOM 894 O ILE A 63 5.039 -3.332 0.471 1.00 0.00 O ATOM 895 CB ILE A 63 2.483 -2.192 0.937 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.160 -1.756 0.306 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.436 -1.937 2.443 1.00 0.00 C ATOM 898 CD1 ILE A 63 0.008 -2.139 1.235 1.00 0.00 C ATOM 0 H ILE A 63 3.095 -2.086 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 63 3.669 -0.397 0.760 1.00 0.00 H new ATOM 0 HB ILE A 63 2.640 -3.254 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.162 -0.679 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.033 -2.233 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.617 -2.506 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.378 -2.249 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.279 -0.874 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.937 -1.830 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.004 -3.219 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.135 -1.642 2.197 1.00 0.00 H new ATOM 910 N PRO A 64 5.964 -1.394 1.026 1.00 0.00 N ATOM 911 CA PRO A 64 7.284 -1.983 1.349 1.00 0.00 C ATOM 912 C PRO A 64 7.395 -2.389 2.817 1.00 0.00 C ATOM 913 O PRO A 64 6.460 -2.216 3.598 1.00 0.00 O ATOM 914 CB PRO A 64 8.242 -0.842 1.024 1.00 0.00 C ATOM 915 CG PRO A 64 7.478 0.406 1.339 1.00 0.00 C ATOM 916 CD PRO A 64 5.985 0.062 1.231 1.00 0.00 C ATOM 0 HA PRO A 64 7.483 -2.901 0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.152 -0.909 1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.544 -0.866 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.719 0.763 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.741 1.204 0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.445 0.345 2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.514 0.588 0.400 1.00 0.00 H new ATOM 924 N ASP A 65 8.554 -2.920 3.174 1.00 0.00 N ATOM 925 CA ASP A 65 8.819 -3.350 4.544 1.00 0.00 C ATOM 926 C ASP A 65 7.839 -4.430 4.996 1.00 0.00 C ATOM 927 O ASP A 65 7.428 -4.457 6.155 1.00 0.00 O ATOM 928 CB ASP A 65 8.733 -2.152 5.491 1.00 0.00 C ATOM 929 CG ASP A 65 9.878 -1.184 5.211 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.786 -1.565 4.490 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.832 -0.078 5.722 1.00 0.00 O ATOM 0 H ASP A 65 9.333 -3.065 2.531 1.00 0.00 H new ATOM 0 HA ASP A 65 9.823 -3.773 4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.777 -1.644 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.778 -2.492 6.526 1.00 0.00 H new ATOM 936 N LEU A 66 7.493 -5.334 4.086 1.00 0.00 N ATOM 937 CA LEU A 66 6.591 -6.429 4.422 1.00 0.00 C ATOM 938 C LEU A 66 7.400 -7.596 4.972 1.00 0.00 C ATOM 939 O LEU A 66 8.596 -7.697 4.711 1.00 0.00 O ATOM 940 CB LEU A 66 5.801 -6.875 3.193 1.00 0.00 C ATOM 941 CG LEU A 66 4.985 -5.699 2.650 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.008 -6.203 1.586 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.198 -5.046 3.790 1.00 0.00 C ATOM 0 H LEU A 66 7.820 -5.331 3.120 1.00 0.00 H new ATOM 0 HA LEU A 66 5.883 -6.085 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.481 -7.243 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.138 -7.700 3.454 1.00 0.00 H new ATOM 0 HG LEU A 66 5.661 -4.966 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.427 -5.366 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.565 -6.665 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.335 -6.938 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.619 -4.209 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.524 -5.779 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.891 -4.684 4.550 1.00 0.00 H new ATOM 955 N LEU A 67 6.755 -8.460 5.746 1.00 0.00 N ATOM 956 CA LEU A 67 7.445 -9.599 6.337 1.00 0.00 C ATOM 957 C LEU A 67 7.302 -10.847 5.461 1.00 0.00 C ATOM 958 O LEU A 67 6.226 -11.441 5.393 1.00 0.00 O ATOM 959 CB LEU A 67 6.843 -9.889 7.714 1.00 0.00 C ATOM 960 CG LEU A 67 7.144 -8.737 8.678 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.140 -8.768 9.832 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.556 -8.898 9.248 1.00 0.00 C ATOM 0 H LEU A 67 5.764 -8.395 5.978 1.00 0.00 H new ATOM 0 HA LEU A 67 8.504 -9.354 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.765 -10.027 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.252 -10.819 8.109 1.00 0.00 H new ATOM 0 HG LEU A 67 7.069 -7.791 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.351 -7.949 10.520 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.129 -8.659 9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.223 -9.717 10.361 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.767 -8.077 9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.627 -9.845 9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.281 -8.887 8.434 1.00 0.00 H new ATOM 974 N PRO A 68 8.359 -11.266 4.806 1.00 0.00 N ATOM 975 CA PRO A 68 8.325 -12.481 3.943 1.00 0.00 C ATOM 976 C PRO A 68 7.834 -13.709 4.708 1.00 0.00 C ATOM 977 O PRO A 68 8.208 -13.924 5.861 1.00 0.00 O ATOM 978 CB PRO A 68 9.778 -12.679 3.499 1.00 0.00 C ATOM 979 CG PRO A 68 10.464 -11.371 3.719 1.00 0.00 C ATOM 980 CD PRO A 68 9.687 -10.629 4.806 1.00 0.00 C ATOM 0 HA PRO A 68 7.637 -12.356 3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.256 -13.471 4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.828 -12.973 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.499 -11.526 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.487 -10.789 2.798 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.173 -10.724 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.617 -9.563 4.587 1.00 0.00 H new ATOM 988 N GLY A 69 7.003 -14.514 4.055 1.00 0.00 N ATOM 989 CA GLY A 69 6.477 -15.724 4.679 1.00 0.00 C ATOM 990 C GLY A 69 5.282 -15.411 5.571 1.00 0.00 C ATOM 991 O GLY A 69 4.869 -16.240 6.382 1.00 0.00 O ATOM 0 H GLY A 69 6.681 -14.353 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.181 -16.435 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.259 -16.201 5.269 1.00 0.00 H new ATOM 995 N ARG A 70 4.728 -14.216 5.415 1.00 0.00 N ATOM 996 CA ARG A 70 3.578 -13.812 6.211 1.00 0.00 C ATOM 997 C ARG A 70 2.449 -13.349 5.302 1.00 0.00 C ATOM 998 O ARG A 70 2.692 -12.815 4.220 1.00 0.00 O ATOM 999 CB ARG A 70 3.970 -12.685 7.167 1.00 0.00 C ATOM 1000 CG ARG A 70 5.153 -13.123 8.027 1.00 0.00 C ATOM 1001 CD ARG A 70 4.653 -14.008 9.168 1.00 0.00 C ATOM 1002 NE ARG A 70 4.442 -13.216 10.374 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.463 -12.675 11.033 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.684 -12.857 10.611 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.242 -11.963 12.105 1.00 0.00 N ATOM 0 H ARG A 70 5.053 -13.515 4.750 1.00 0.00 H new ATOM 0 HA ARG A 70 3.237 -14.668 6.793 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.231 -11.791 6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.124 -12.424 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.876 -13.668 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.668 -12.250 8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.722 -14.494 8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.377 -14.798 9.367 1.00 0.00 H new ATOM 0 HE ARG A 70 3.493 -13.074 10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.857 -13.415 9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.466 -12.441 11.117 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.288 -11.822 12.436 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.024 -11.548 12.611 1.00 0.00 H new ATOM 1019 N LYS A 71 1.213 -13.556 5.745 1.00 0.00 N ATOM 1020 CA LYS A 71 0.059 -13.153 4.958 1.00 0.00 C ATOM 1021 C LYS A 71 -0.511 -11.840 5.483 1.00 0.00 C ATOM 1022 O LYS A 71 -0.702 -11.667 6.686 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.015 -14.240 5.017 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.102 -13.949 3.980 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.233 -14.969 4.133 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.119 -14.946 2.886 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.185 -15.979 3.020 1.00 0.00 N ATOM 0 H LYS A 71 0.988 -13.997 6.637 1.00 0.00 H new ATOM 0 HA LYS A 71 0.375 -13.011 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.569 -15.216 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.452 -14.279 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.488 -12.938 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.684 -14.000 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.819 -15.967 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.827 -14.738 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.566 -13.960 2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.520 -15.139 1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.789 -15.966 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.748 -16.918 3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.762 -15.775 3.861 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.793 -10.930 4.565 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.358 -9.633 4.925 1.00 0.00 C ATOM 1043 C TYR A 72 -2.683 -9.409 4.209 1.00 0.00 C ATOM 1044 O TYR A 72 -2.902 -9.914 3.108 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.425 -8.497 4.509 1.00 0.00 C ATOM 1046 CG TYR A 72 0.822 -8.473 5.358 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.893 -9.322 5.058 1.00 0.00 C ATOM 1048 CD2 TYR A 72 0.915 -7.580 6.434 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.055 -9.281 5.838 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.078 -7.539 7.211 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.148 -8.388 6.914 1.00 0.00 C ATOM 1052 OH TYR A 72 4.293 -8.348 7.682 1.00 0.00 O ATOM 0 H TYR A 72 -0.641 -11.062 3.565 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.497 -9.635 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.151 -8.614 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.947 -7.544 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.823 -10.008 4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.089 -6.923 6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.881 -9.939 5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.149 -6.851 8.041 1.00 0.00 H new ATOM 0 HH TYR A 72 4.597 -7.420 7.768 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.539 -8.605 4.818 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.814 -8.263 4.209 1.00 0.00 C ATOM 1064 C ILE A 73 -4.768 -6.797 3.825 1.00 0.00 C ATOM 1065 O ILE A 73 -4.411 -5.951 4.640 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.963 -8.519 5.182 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.917 -9.979 5.630 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.296 -8.240 4.482 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.944 -10.208 6.739 1.00 0.00 C ATOM 0 H ILE A 73 -3.375 -8.178 5.730 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.984 -8.882 3.328 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.868 -7.864 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.126 -10.636 4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.918 -10.229 5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.117 -8.423 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.324 -7.201 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.398 -8.897 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.910 -11.250 7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.715 -9.562 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.941 -9.975 6.365 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.105 -6.495 2.583 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.065 -5.117 2.124 1.00 0.00 C ATOM 1083 C VAL A 74 -6.459 -4.623 1.770 1.00 0.00 C ATOM 1084 O VAL A 74 -7.192 -5.269 1.022 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.157 -4.998 0.898 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.814 -3.526 0.655 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.868 -5.793 1.131 1.00 0.00 C ATOM 0 H VAL A 74 -5.405 -7.174 1.883 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.670 -4.502 2.933 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.675 -5.398 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.167 -3.442 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.731 -2.962 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.299 -3.124 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.224 -5.706 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.349 -5.397 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.113 -6.842 1.299 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.804 -3.464 2.306 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.098 -2.861 2.043 1.00 0.00 C ATOM 1099 C ASN A 75 -7.897 -1.408 1.653 1.00 0.00 C ATOM 1100 O ASN A 75 -7.303 -0.634 2.402 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.975 -2.944 3.293 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.957 -4.363 3.842 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.761 -5.201 3.434 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.073 -4.684 4.743 1.00 0.00 N ATOM 0 H ASN A 75 -6.204 -2.922 2.927 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.591 -3.395 1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.613 -2.247 4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.997 -2.651 3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.045 -5.634 5.114 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.409 -3.986 5.078 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.382 -1.042 0.478 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.228 0.325 0.015 1.00 0.00 C ATOM 1113 C VAL A 76 -9.531 1.081 0.183 1.00 0.00 C ATOM 1114 O VAL A 76 -10.580 0.654 -0.299 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.810 0.338 -1.455 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.359 1.748 -1.850 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.655 -0.645 -1.659 1.00 0.00 C ATOM 0 H VAL A 76 -8.878 -1.662 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.454 0.811 0.610 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.655 0.044 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.061 1.754 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.181 2.448 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.513 2.046 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.353 -0.639 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.811 -0.349 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.977 -1.648 -1.380 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.454 2.210 0.865 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.629 3.030 1.090 1.00 0.00 C ATOM 1129 C TYR A 77 -10.447 4.372 0.408 1.00 0.00 C ATOM 1130 O TYR A 77 -9.360 4.946 0.437 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.838 3.260 2.589 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.888 1.938 3.319 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.105 1.263 3.468 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.715 1.395 3.858 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.148 0.044 4.157 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.760 0.177 4.547 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.977 -0.498 4.695 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.022 -1.698 5.376 1.00 0.00 O ATOM 0 H TYR A 77 -8.594 2.578 1.271 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.498 2.515 0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.029 3.873 2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.765 3.810 2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.010 1.681 3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.776 1.916 3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.087 -0.478 4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.856 -0.241 4.964 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.122 -1.933 5.684 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.509 4.885 -0.188 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.420 6.178 -0.839 1.00 0.00 C ATOM 1150 C GLN A 78 -12.046 7.211 0.080 1.00 0.00 C ATOM 1151 O GLN A 78 -13.117 6.985 0.642 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.144 6.161 -2.187 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.620 6.507 -1.987 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.423 6.086 -3.213 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -15.652 6.121 -3.190 1.00 0.00 O ATOM 1156 NE2 GLN A 78 -13.797 5.689 -4.288 1.00 0.00 N ATOM 0 H GLN A 78 -12.424 4.437 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.375 6.423 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.682 6.877 -2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.051 5.178 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.004 6.003 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.732 7.578 -1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.777 5.661 -4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.328 5.407 -5.112 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.366 8.327 0.258 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.860 9.362 1.143 1.00 0.00 C ATOM 1167 C ILE A 79 -12.580 10.440 0.354 1.00 0.00 C ATOM 1168 O ILE A 79 -12.015 11.054 -0.550 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.690 9.966 1.909 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.908 8.829 2.569 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.217 10.921 2.980 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.622 9.372 3.188 1.00 0.00 C ATOM 0 H ILE A 79 -10.477 8.539 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.569 8.923 1.845 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.042 10.521 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.519 8.354 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.671 8.063 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.379 11.352 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.790 11.718 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.859 10.374 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.071 8.556 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.008 9.826 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.868 10.122 3.940 1.00 0.00 H new ATOM 1184 N SER A 80 -13.840 10.654 0.708 1.00 0.00 N ATOM 1185 CA SER A 80 -14.655 11.647 0.040 1.00 0.00 C ATOM 1186 C SER A 80 -14.376 13.029 0.610 1.00 0.00 C ATOM 1187 O SER A 80 -13.721 13.168 1.642 1.00 0.00 O ATOM 1188 CB SER A 80 -16.129 11.298 0.217 1.00 0.00 C ATOM 1189 OG SER A 80 -16.504 11.518 1.567 1.00 0.00 O ATOM 0 H SER A 80 -14.316 10.150 1.456 1.00 0.00 H new ATOM 0 HA SER A 80 -14.409 11.654 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.741 11.909 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.303 10.257 -0.056 1.00 0.00 H new ATOM 0 HG SER A 80 -17.462 11.342 1.673 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.870 14.045 -0.077 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.663 15.419 0.352 1.00 0.00 C ATOM 1197 C GLU A 81 -15.208 15.650 1.763 1.00 0.00 C ATOM 1198 O GLU A 81 -14.826 16.612 2.428 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.351 16.366 -0.629 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.709 16.218 -2.010 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.344 17.205 -2.982 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.333 17.816 -2.612 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.832 17.336 -4.081 1.00 0.00 O ATOM 0 H GLU A 81 -15.416 13.946 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.591 15.615 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.416 16.140 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.261 17.395 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.636 16.398 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.839 15.199 -2.375 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.103 14.773 2.215 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.682 14.920 3.549 1.00 0.00 C ATOM 1212 C ASP A 82 -15.908 14.107 4.588 1.00 0.00 C ATOM 1213 O ASP A 82 -16.243 14.126 5.772 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.144 14.473 3.533 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.228 12.975 3.277 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.231 12.302 3.481 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.287 12.520 2.876 1.00 0.00 O ATOM 0 H ASP A 82 -16.438 13.967 1.688 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.620 15.972 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.617 14.715 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.690 15.014 2.760 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.869 13.406 4.145 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.054 12.608 5.060 1.00 0.00 C ATOM 1224 C GLY A 83 -14.607 11.194 5.234 1.00 0.00 C ATOM 1225 O GLY A 83 -14.173 10.459 6.121 1.00 0.00 O ATOM 0 H GLY A 83 -14.572 13.373 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.033 12.554 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.010 13.102 6.031 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.552 10.812 4.383 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.134 9.475 4.461 1.00 0.00 C ATOM 1231 C GLU A 84 -15.265 8.460 3.722 1.00 0.00 C ATOM 1232 O GLU A 84 -14.761 8.737 2.634 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.542 9.473 3.861 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.521 10.136 4.834 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.665 9.280 6.088 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.335 8.107 6.022 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.106 9.809 7.097 1.00 0.00 O ATOM 0 H GLU A 84 -15.929 11.400 3.639 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.188 9.193 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.543 10.006 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.857 8.450 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.164 11.131 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.492 10.263 4.356 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.107 7.279 4.313 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.309 6.228 3.690 1.00 0.00 C ATOM 1246 C GLN A 85 -15.209 5.167 3.071 1.00 0.00 C ATOM 1247 O GLN A 85 -16.251 4.820 3.627 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.394 5.559 4.721 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.227 6.483 5.064 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.220 5.742 5.938 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.447 4.838 5.400 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.137 5.991 7.140 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.516 7.027 5.213 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.702 6.692 2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.960 5.324 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.017 4.615 4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.744 6.828 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.593 7.368 5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.742 6.698 7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.463 5.491 7.719 1.00 0.00 H new ATOM 1261 N SER A 86 -14.791 4.645 1.926 1.00 0.00 N ATOM 1262 CA SER A 86 -15.554 3.609 1.248 1.00 0.00 C ATOM 1263 C SER A 86 -14.618 2.519 0.752 1.00 0.00 C ATOM 1264 O SER A 86 -13.637 2.798 0.062 1.00 0.00 O ATOM 1265 CB SER A 86 -16.319 4.203 0.066 1.00 0.00 C ATOM 1266 OG SER A 86 -17.141 3.199 -0.514 1.00 0.00 O ATOM 0 H SER A 86 -13.932 4.921 1.450 1.00 0.00 H new ATOM 0 HA SER A 86 -16.266 3.182 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.930 5.042 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.621 4.591 -0.676 1.00 0.00 H new ATOM 0 HG SER A 86 -17.634 3.577 -1.271 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.920 1.277 1.105 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.087 0.165 0.681 1.00 0.00 C ATOM 1274 C LEU A 87 -14.289 -0.099 -0.804 1.00 0.00 C ATOM 1275 O LEU A 87 -15.394 -0.417 -1.243 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.445 -1.087 1.483 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.509 -2.235 1.104 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.176 -2.095 1.847 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.166 -3.561 1.489 1.00 0.00 C ATOM 0 H LEU A 87 -15.725 1.018 1.676 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.041 0.417 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.367 -0.880 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.479 -1.370 1.288 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.321 -2.208 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.517 -2.918 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.707 -1.148 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.354 -2.119 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.505 -4.386 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.351 -3.577 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.111 -3.667 0.957 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.220 0.047 -1.577 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.304 -0.167 -3.014 1.00 0.00 C ATOM 1293 C ILE A 88 -12.514 -1.402 -3.432 1.00 0.00 C ATOM 1294 O ILE A 88 -12.748 -1.961 -4.502 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.779 1.066 -3.753 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.272 1.205 -3.519 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.489 2.318 -3.229 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.722 2.329 -4.397 1.00 0.00 C ATOM 0 H ILE A 88 -12.295 0.310 -1.237 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.350 -0.329 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.973 0.954 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.074 1.420 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.769 0.267 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.115 3.196 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.562 2.225 -3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.296 2.426 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.649 2.429 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.907 2.095 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.217 3.266 -4.141 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.579 -1.823 -2.588 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.773 -2.996 -2.903 1.00 0.00 C ATOM 1312 C LEU A 89 -10.239 -3.656 -1.641 1.00 0.00 C ATOM 1313 O LEU A 89 -9.565 -3.023 -0.828 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.597 -2.609 -3.803 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.801 -3.867 -4.163 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.607 -4.715 -5.147 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.469 -3.468 -4.802 1.00 0.00 C ATOM 0 H LEU A 89 -11.363 -1.379 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.417 -3.705 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.961 -2.123 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.954 -1.891 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.608 -4.444 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.041 -5.611 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.553 -5.003 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.802 -4.137 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.905 -4.365 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.658 -2.889 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.894 -2.865 -4.099 1.00 0.00 H new ATOM 1329 N SER A 90 -10.528 -4.944 -1.500 1.00 0.00 N ATOM 1330 CA SER A 90 -10.059 -5.705 -0.351 1.00 0.00 C ATOM 1331 C SER A 90 -9.514 -7.048 -0.812 1.00 0.00 C ATOM 1332 O SER A 90 -10.265 -7.901 -1.286 1.00 0.00 O ATOM 1333 CB SER A 90 -11.202 -5.926 0.639 1.00 0.00 C ATOM 1334 OG SER A 90 -10.775 -6.824 1.655 1.00 0.00 O ATOM 0 H SER A 90 -11.083 -5.481 -2.166 1.00 0.00 H new ATOM 0 HA SER A 90 -9.267 -5.143 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.505 -4.977 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.073 -6.330 0.123 1.00 0.00 H new ATOM 0 HG SER A 90 -10.397 -6.316 2.403 1.00 0.00 H new ATOM 1340 N THR A 91 -8.207 -7.232 -0.678 1.00 0.00 N ATOM 1341 CA THR A 91 -7.583 -8.478 -1.096 1.00 0.00 C ATOM 1342 C THR A 91 -6.420 -8.823 -0.176 1.00 0.00 C ATOM 1343 O THR A 91 -5.799 -7.939 0.408 1.00 0.00 O ATOM 1344 CB THR A 91 -7.076 -8.343 -2.534 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.841 -9.635 -3.075 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.774 -7.542 -2.543 1.00 0.00 C ATOM 0 H THR A 91 -7.565 -6.542 -0.287 1.00 0.00 H new ATOM 0 HA THR A 91 -8.323 -9.276 -1.043 1.00 0.00 H new ATOM 0 HB THR A 91 -7.824 -7.827 -3.136 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.518 -9.550 -3.996 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.413 -7.446 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.954 -6.551 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.025 -8.058 -1.941 1.00 0.00 H new ATOM 1354 N SER A 92 -6.116 -10.109 -0.062 1.00 0.00 N ATOM 1355 CA SER A 92 -5.011 -10.546 0.781 1.00 0.00 C ATOM 1356 C SER A 92 -3.907 -11.138 -0.080 1.00 0.00 C ATOM 1357 O SER A 92 -4.163 -11.647 -1.170 1.00 0.00 O ATOM 1358 CB SER A 92 -5.494 -11.587 1.792 1.00 0.00 C ATOM 1359 OG SER A 92 -5.858 -12.778 1.105 1.00 0.00 O ATOM 0 H SER A 92 -6.614 -10.862 -0.538 1.00 0.00 H new ATOM 0 HA SER A 92 -4.622 -9.684 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.708 -11.798 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.347 -11.200 2.350 1.00 0.00 H new ATOM 0 HG SER A 92 -6.448 -13.316 1.673 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.679 -11.069 0.412 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.549 -11.604 -0.332 1.00 0.00 C ATOM 1367 C GLN A 93 -0.567 -12.295 0.597 1.00 0.00 C ATOM 1368 O GLN A 93 -0.531 -12.029 1.798 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.823 -10.483 -1.073 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.767 -9.813 -2.073 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.982 -8.820 -2.921 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.295 -8.664 -2.699 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.544 -8.174 -3.805 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.441 -10.653 1.312 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.936 -12.329 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.454 -9.746 -0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.046 -10.885 -1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.233 -10.565 -2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.571 -9.301 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.542 -8.301 -3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.012 -7.512 -4.370 1.00 0.00 H new ATOM 1382 N THR A 94 0.243 -13.171 0.021 1.00 0.00 N ATOM 1383 CA THR A 94 1.243 -13.886 0.791 1.00 0.00 C ATOM 1384 C THR A 94 2.628 -13.575 0.237 1.00 0.00 C ATOM 1385 O THR A 94 3.002 -14.051 -0.836 1.00 0.00 O ATOM 1386 CB THR A 94 0.977 -15.392 0.723 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.401 -15.617 0.457 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.354 -16.039 2.057 1.00 0.00 C ATOM 0 H THR A 94 0.226 -13.401 -0.973 1.00 0.00 H new ATOM 0 HA THR A 94 1.192 -13.568 1.832 1.00 0.00 H new ATOM 0 HB THR A 94 1.577 -15.832 -0.074 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.572 -16.581 0.412 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.164 -17.111 2.008 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.411 -15.866 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.756 -15.601 2.856 1.00 0.00 H new ATOM 1396 N THR A 95 3.383 -12.762 0.968 1.00 0.00 N ATOM 1397 CA THR A 95 4.720 -12.381 0.532 1.00 0.00 C ATOM 1398 C THR A 95 5.514 -13.606 0.092 1.00 0.00 C ATOM 1399 O THR A 95 6.137 -13.537 -0.954 1.00 0.00 O ATOM 1400 CB THR A 95 5.455 -11.678 1.672 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.548 -12.559 2.781 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.684 -10.421 2.078 1.00 0.00 C ATOM 1403 OXT THR A 95 5.488 -14.594 0.808 1.00 0.00 O ATOM 0 H THR A 95 3.094 -12.357 1.859 1.00 0.00 H new ATOM 0 HA THR A 95 4.626 -11.703 -0.316 1.00 0.00 H new ATOM 0 HB THR A 95 6.456 -11.396 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.719 -12.042 3.596 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.208 -9.919 2.891 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.610 -9.748 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.683 -10.699 2.408 1.00 0.00 H new TER 1411 THR A 95