USER MOD reduce.3.24.130724 H: found=0, std=0, add=1128, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1128 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 122 HIS HD1 : A 122 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 131 ASN : amide:sc= -0.86 K(o=-3.9,f=-6.2) USER MOD Set 1.2: A 133 GLN :FLIP amide:sc= -3.08 F(o=-6.4!,f=-3.9) USER MOD Set 2.1: A 89 HIS :FLIP no HD1:sc=-0.00416 X(o=-0.56,f=-0.26) USER MOD Set 2.2: A 120 HIS :FLIP no HD1:sc= -0.251 X(o=-0.43,f=-0.26) USER MOD Set 3.1: A 73 ASN : amide:sc= -3.16! C(o=-3!,f=-5.9!) USER MOD Set 3.2: A 113 THR OG1 : rot 59:sc= 0.139 USER MOD Set 4.1: A 79 HIS : no HE2:sc= -5.46! C(o=-5.5!,f=-8.8!) USER MOD Set 4.2: A 85 THR OG1 : rot 120:sc= -0.0692 USER MOD Set 5.1: A 45 THR OG1 : rot 99:sc= 1.21 USER MOD Set 5.2: A 110 THR OG1 : rot 128:sc= 1.32 USER MOD Set 6.1: A 21 THR OG1 : rot 180:sc= 0.366 USER MOD Set 6.2: A 23 ASN : amide:sc= -1.01 K(o=-0.65,f=-2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -24:sc= 0.277 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 89:sc= -0.194 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.43 F(o=-3.5!,f=-1.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= -0.806 (180deg=-0.935) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.266 F(o=-3!,f=-0.27) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -5.98! C(o=-6!,f=-6.5!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.022) USER MOD Single : A 83 MET CE :methyl -159:sc= 0 (180deg=-0.197) USER MOD Single : A 84 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-2!) USER MOD Single : A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 SER OG : rot -28:sc= 0.0791 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00654 USER MOD Single : A 99 SER OG : rot -140:sc= -0.816 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.42 F(o=-7.9!,f=-1.4) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00528 USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.0065) USER MOD Single : A 134 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 137 SER OG : rot -39:sc= 0.544 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 ASN :FLIP amide:sc= 0.549 F(o=-2.9!,f=0.55) USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 155 THR OG1 : rot 48:sc= 0.35 USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.444 -45.588 -11.685 1.00 0.00 N ATOM 2 CA MET A 1 -14.650 -45.213 -13.107 1.00 0.00 C ATOM 3 C MET A 1 -13.313 -45.088 -13.831 1.00 0.00 C ATOM 4 O MET A 1 -12.328 -44.620 -13.252 1.00 0.00 O ATOM 5 CB MET A 1 -15.418 -43.891 -13.198 1.00 0.00 C ATOM 6 CG MET A 1 -16.499 -43.884 -14.267 1.00 0.00 C ATOM 7 SD MET A 1 -15.839 -44.064 -15.936 1.00 0.00 S ATOM 8 CE MET A 1 -17.346 -44.021 -16.903 1.00 0.00 C ATOM 0 H1 MET A 1 -15.366 -45.668 -11.210 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.948 -46.501 -11.635 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.873 -44.858 -11.213 1.00 0.00 H new ATOM 0 HA MET A 1 -15.233 -45.999 -13.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.874 -43.679 -12.231 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.713 -43.085 -13.401 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.202 -44.694 -14.071 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.060 -42.952 -14.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.103 -44.121 -17.961 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.996 -44.842 -16.601 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.858 -43.073 -16.737 1.00 0.00 H new ATOM 20 N ARG A 2 -13.295 -45.505 -15.102 1.00 0.00 N ATOM 21 CA ARG A 2 -12.085 -45.459 -15.927 1.00 0.00 C ATOM 22 C ARG A 2 -11.981 -44.132 -16.682 1.00 0.00 C ATOM 23 O ARG A 2 -12.904 -43.744 -17.405 1.00 0.00 O ATOM 24 CB ARG A 2 -12.085 -46.633 -16.911 1.00 0.00 C ATOM 25 CG ARG A 2 -10.757 -47.377 -16.990 1.00 0.00 C ATOM 26 CD ARG A 2 -10.934 -48.778 -17.560 1.00 0.00 C ATOM 27 NE ARG A 2 -11.531 -49.698 -16.584 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.136 -50.855 -16.891 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.240 -51.266 -18.153 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.641 -51.606 -15.922 1.00 0.00 N ATOM 0 H ARG A 2 -14.112 -45.881 -15.583 1.00 0.00 H new ATOM 0 HA ARG A 2 -11.218 -45.538 -15.272 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.867 -47.336 -16.622 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -12.341 -46.262 -17.903 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.061 -46.815 -17.613 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.315 -47.441 -15.996 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.565 -48.731 -18.447 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.966 -49.165 -17.878 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.482 -49.438 -15.599 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.856 -50.698 -18.908 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.704 -52.149 -18.365 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.568 -51.303 -14.951 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.103 -52.487 -16.148 1.00 0.00 H new ATOM 44 N GLY A 3 -10.847 -43.445 -16.497 1.00 0.00 N ATOM 45 CA GLY A 3 -10.616 -42.164 -17.150 1.00 0.00 C ATOM 46 C GLY A 3 -10.007 -41.142 -16.208 1.00 0.00 C ATOM 47 O GLY A 3 -10.509 -40.943 -15.099 1.00 0.00 O ATOM 0 H GLY A 3 -10.081 -43.759 -15.901 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.954 -42.308 -18.004 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.560 -41.781 -17.538 1.00 0.00 H new ATOM 51 N SER A 4 -8.926 -40.495 -16.657 1.00 0.00 N ATOM 52 CA SER A 4 -8.232 -39.488 -15.852 1.00 0.00 C ATOM 53 C SER A 4 -8.575 -38.067 -16.306 1.00 0.00 C ATOM 54 O SER A 4 -8.849 -37.198 -15.472 1.00 0.00 O ATOM 55 CB SER A 4 -6.718 -39.712 -15.917 1.00 0.00 C ATOM 56 OG SER A 4 -6.368 -40.985 -15.403 1.00 0.00 O ATOM 0 H SER A 4 -8.513 -40.653 -17.576 1.00 0.00 H new ATOM 0 HA SER A 4 -8.569 -39.597 -14.821 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.379 -39.628 -16.949 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.207 -38.934 -15.349 1.00 0.00 H new ATOM 0 HG SER A 4 -5.397 -41.104 -15.457 1.00 0.00 H new ATOM 62 N HIS A 5 -8.558 -37.839 -17.627 1.00 0.00 N ATOM 63 CA HIS A 5 -8.863 -36.524 -18.195 1.00 0.00 C ATOM 64 C HIS A 5 -10.190 -36.537 -18.947 1.00 0.00 C ATOM 65 O HIS A 5 -10.419 -37.395 -19.805 1.00 0.00 O ATOM 66 CB HIS A 5 -7.738 -36.074 -19.130 1.00 0.00 C ATOM 67 CG HIS A 5 -6.611 -35.383 -18.427 1.00 0.00 C ATOM 68 ND1 HIS A 5 -5.555 -36.056 -17.849 1.00 0.00 N ATOM 69 CD2 HIS A 5 -6.378 -34.066 -18.214 1.00 0.00 C ATOM 70 CE1 HIS A 5 -4.722 -35.183 -17.310 1.00 0.00 C ATOM 71 NE2 HIS A 5 -5.199 -33.970 -17.519 1.00 0.00 N ATOM 0 H HIS A 5 -8.335 -38.552 -18.321 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.948 -35.818 -17.369 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.347 -36.944 -19.658 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.150 -35.403 -19.883 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.003 -33.245 -18.532 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.807 -35.421 -16.788 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -4.761 -33.101 -17.213 1.00 0.00 H new ATOM 80 N HIS A 6 -11.058 -35.575 -18.610 1.00 0.00 N ATOM 81 CA HIS A 6 -12.373 -35.443 -19.243 1.00 0.00 C ATOM 82 C HIS A 6 -12.683 -33.977 -19.561 1.00 0.00 C ATOM 83 O HIS A 6 -13.128 -33.659 -20.668 1.00 0.00 O ATOM 84 CB HIS A 6 -13.469 -36.029 -18.342 1.00 0.00 C ATOM 85 CG HIS A 6 -14.253 -37.126 -18.990 1.00 0.00 C ATOM 86 ND1 HIS A 6 -15.354 -36.897 -19.788 1.00 0.00 N ATOM 87 CD2 HIS A 6 -14.088 -38.471 -18.957 1.00 0.00 C ATOM 88 CE1 HIS A 6 -15.835 -38.051 -20.215 1.00 0.00 C ATOM 89 NE2 HIS A 6 -15.084 -39.021 -19.726 1.00 0.00 N ATOM 0 H HIS A 6 -10.869 -34.872 -17.896 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.351 -36.002 -20.178 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.012 -36.411 -17.429 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.151 -35.231 -18.048 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.317 -39.009 -18.425 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.696 -38.179 -20.855 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.222 -40.018 -19.893 1.00 0.00 H new ATOM 98 N HIS A 7 -12.442 -33.092 -18.580 1.00 0.00 N ATOM 99 CA HIS A 7 -12.686 -31.656 -18.738 1.00 0.00 C ATOM 100 C HIS A 7 -11.501 -30.844 -18.217 1.00 0.00 C ATOM 101 O HIS A 7 -10.819 -31.265 -17.277 1.00 0.00 O ATOM 102 CB HIS A 7 -13.964 -31.240 -18.001 1.00 0.00 C ATOM 103 CG HIS A 7 -15.222 -31.727 -18.652 1.00 0.00 C ATOM 104 ND1 HIS A 7 -15.854 -31.046 -19.672 1.00 0.00 N ATOM 105 CD2 HIS A 7 -15.969 -32.834 -18.422 1.00 0.00 C ATOM 106 CE1 HIS A 7 -16.934 -31.712 -20.042 1.00 0.00 C ATOM 107 NE2 HIS A 7 -17.025 -32.800 -19.299 1.00 0.00 N ATOM 0 H HIS A 7 -12.076 -33.352 -17.664 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.810 -31.453 -19.802 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.924 -31.620 -16.980 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.997 -30.152 -17.936 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.771 -33.600 -17.687 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.624 -31.417 -20.819 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.762 -33.502 -19.366 1.00 0.00 H new ATOM 116 N HIS A 8 -11.269 -29.681 -18.836 1.00 0.00 N ATOM 117 CA HIS A 8 -10.170 -28.798 -18.449 1.00 0.00 C ATOM 118 C HIS A 8 -10.691 -27.401 -18.112 1.00 0.00 C ATOM 119 O HIS A 8 -11.495 -26.835 -18.859 1.00 0.00 O ATOM 120 CB HIS A 8 -9.135 -28.718 -19.577 1.00 0.00 C ATOM 121 CG HIS A 8 -7.731 -28.511 -19.095 1.00 0.00 C ATOM 122 ND1 HIS A 8 -6.835 -29.545 -18.922 1.00 0.00 N ATOM 123 CD2 HIS A 8 -7.067 -27.380 -18.754 1.00 0.00 C ATOM 124 CE1 HIS A 8 -5.683 -29.060 -18.495 1.00 0.00 C ATOM 125 NE2 HIS A 8 -5.798 -27.750 -18.385 1.00 0.00 N ATOM 0 H HIS A 8 -11.833 -29.331 -19.611 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.694 -29.211 -17.560 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.177 -29.637 -20.162 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.404 -27.901 -20.247 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.463 -26.375 -18.770 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.798 -29.637 -18.274 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.062 -27.115 -18.076 1.00 0.00 H new ATOM 134 N HIS A 9 -10.224 -26.858 -16.981 1.00 0.00 N ATOM 135 CA HIS A 9 -10.633 -25.527 -16.525 1.00 0.00 C ATOM 136 C HIS A 9 -9.436 -24.584 -16.440 1.00 0.00 C ATOM 137 O HIS A 9 -8.320 -25.013 -16.136 1.00 0.00 O ATOM 138 CB HIS A 9 -11.316 -25.615 -15.158 1.00 0.00 C ATOM 139 CG HIS A 9 -12.694 -26.196 -15.210 1.00 0.00 C ATOM 140 ND1 HIS A 9 -12.970 -27.511 -14.895 1.00 0.00 N ATOM 141 CD2 HIS A 9 -13.882 -25.632 -15.535 1.00 0.00 C ATOM 142 CE1 HIS A 9 -14.266 -27.731 -15.026 1.00 0.00 C ATOM 143 NE2 HIS A 9 -14.841 -26.606 -15.413 1.00 0.00 N ATOM 0 H HIS A 9 -9.559 -27.324 -16.363 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.339 -25.129 -17.254 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.701 -26.221 -14.493 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.368 -24.617 -14.723 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.044 -24.607 -15.834 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.769 -28.670 -14.847 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.837 -26.482 -15.592 1.00 0.00 H new ATOM 152 N HIS A 10 -9.690 -23.295 -16.696 1.00 0.00 N ATOM 153 CA HIS A 10 -8.646 -22.263 -16.657 1.00 0.00 C ATOM 154 C HIS A 10 -8.759 -21.413 -15.390 1.00 0.00 C ATOM 155 O HIS A 10 -9.839 -21.302 -14.802 1.00 0.00 O ATOM 156 CB HIS A 10 -8.741 -21.366 -17.895 1.00 0.00 C ATOM 157 CG HIS A 10 -8.237 -22.019 -19.144 1.00 0.00 C ATOM 158 ND1 HIS A 10 -6.907 -22.017 -19.508 1.00 0.00 N ATOM 159 CD2 HIS A 10 -8.889 -22.705 -20.113 1.00 0.00 C ATOM 160 CE1 HIS A 10 -6.762 -22.674 -20.645 1.00 0.00 C ATOM 161 NE2 HIS A 10 -7.949 -23.100 -21.032 1.00 0.00 N ATOM 0 H HIS A 10 -10.616 -22.940 -16.934 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.678 -22.764 -16.649 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.780 -21.072 -18.042 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -8.173 -20.453 -17.717 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.950 -22.904 -20.155 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.831 -22.835 -21.168 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.138 -23.637 -21.878 1.00 0.00 H new ATOM 170 N GLY A 11 -7.628 -20.830 -14.976 1.00 0.00 N ATOM 171 CA GLY A 11 -7.588 -19.993 -13.785 1.00 0.00 C ATOM 172 C GLY A 11 -6.170 -19.629 -13.391 1.00 0.00 C ATOM 173 O GLY A 11 -5.661 -20.112 -12.375 1.00 0.00 O ATOM 0 H GLY A 11 -6.731 -20.926 -15.453 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.159 -19.082 -13.963 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.071 -20.515 -12.959 1.00 0.00 H new ATOM 177 N SER A 12 -5.538 -18.772 -14.202 1.00 0.00 N ATOM 178 CA SER A 12 -4.157 -18.337 -13.967 1.00 0.00 C ATOM 179 C SER A 12 -4.074 -17.075 -13.126 1.00 0.00 C ATOM 180 O SER A 12 -5.057 -16.343 -12.974 1.00 0.00 O ATOM 181 CB SER A 12 -3.450 -18.042 -15.284 1.00 0.00 C ATOM 182 OG SER A 12 -2.725 -19.166 -15.750 1.00 0.00 O ATOM 0 H SER A 12 -5.966 -18.364 -15.033 1.00 0.00 H new ATOM 0 HA SER A 12 -3.679 -19.160 -13.435 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.184 -17.746 -16.033 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.771 -17.199 -15.152 1.00 0.00 H new ATOM 0 HG SER A 12 -2.285 -18.943 -16.597 1.00 0.00 H new ATOM 188 N ALA A 13 -2.874 -16.846 -12.572 1.00 0.00 N ATOM 189 CA ALA A 13 -2.575 -15.666 -11.792 1.00 0.00 C ATOM 190 C ALA A 13 -1.062 -15.464 -11.707 1.00 0.00 C ATOM 191 O ALA A 13 -0.342 -16.316 -11.176 1.00 0.00 O ATOM 192 CB ALA A 13 -3.194 -15.736 -10.399 1.00 0.00 C ATOM 0 H ALA A 13 -2.087 -17.488 -12.662 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.019 -14.808 -12.296 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.946 -14.831 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.277 -15.823 -10.486 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.802 -16.604 -9.870 1.00 0.00 H new ATOM 198 N THR A 14 -0.592 -14.327 -12.236 1.00 0.00 N ATOM 199 CA THR A 14 0.829 -13.996 -12.262 1.00 0.00 C ATOM 200 C THR A 14 1.285 -13.233 -11.003 1.00 0.00 C ATOM 201 O THR A 14 2.487 -13.105 -10.754 1.00 0.00 O ATOM 202 CB THR A 14 1.191 -13.195 -13.548 1.00 0.00 C ATOM 203 OG1 THR A 14 2.606 -12.972 -13.616 1.00 0.00 O ATOM 204 CG2 THR A 14 0.460 -11.851 -13.637 1.00 0.00 C ATOM 0 H THR A 14 -1.189 -13.615 -12.656 1.00 0.00 H new ATOM 0 HA THR A 14 1.368 -14.943 -12.273 1.00 0.00 H new ATOM 0 HB THR A 14 0.866 -13.803 -14.392 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.987 -13.012 -12.714 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.752 -11.338 -14.553 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.616 -12.022 -13.644 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.724 -11.236 -12.777 1.00 0.00 H new ATOM 212 N TYR A 15 0.315 -12.740 -10.224 1.00 0.00 N ATOM 213 CA TYR A 15 0.588 -11.988 -9.018 1.00 0.00 C ATOM 214 C TYR A 15 0.519 -12.857 -7.788 1.00 0.00 C ATOM 215 O TYR A 15 -0.517 -13.454 -7.476 1.00 0.00 O ATOM 216 CB TYR A 15 -0.361 -10.813 -8.913 1.00 0.00 C ATOM 217 CG TYR A 15 0.276 -9.479 -9.243 1.00 0.00 C ATOM 218 CD1 TYR A 15 0.015 -8.839 -10.448 1.00 0.00 C ATOM 219 CD2 TYR A 15 1.140 -8.860 -8.346 1.00 0.00 C ATOM 220 CE1 TYR A 15 0.597 -7.622 -10.750 1.00 0.00 C ATOM 221 CE2 TYR A 15 1.726 -7.644 -8.641 1.00 0.00 C ATOM 222 CZ TYR A 15 1.451 -7.028 -9.843 1.00 0.00 C ATOM 223 OH TYR A 15 2.031 -5.816 -10.139 1.00 0.00 O ATOM 0 H TYR A 15 -0.679 -12.857 -10.422 1.00 0.00 H new ATOM 0 HA TYR A 15 1.608 -11.609 -9.079 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.204 -10.978 -9.584 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.763 -10.772 -7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.653 -9.300 -11.160 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.357 -9.338 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.384 -7.138 -11.692 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.396 -7.179 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 15 2.603 -5.537 -9.394 1.00 0.00 H new ATOM 233 N THR A 16 1.649 -12.897 -7.091 1.00 0.00 N ATOM 234 CA THR A 16 1.791 -13.706 -5.898 1.00 0.00 C ATOM 235 C THR A 16 1.630 -12.886 -4.615 1.00 0.00 C ATOM 236 O THR A 16 2.037 -11.721 -4.559 1.00 0.00 O ATOM 237 CB THR A 16 3.157 -14.425 -5.877 1.00 0.00 C ATOM 238 OG1 THR A 16 4.215 -13.484 -6.098 1.00 0.00 O ATOM 239 CG2 THR A 16 3.218 -15.519 -6.936 1.00 0.00 C ATOM 0 H THR A 16 2.486 -12.370 -7.340 1.00 0.00 H new ATOM 0 HA THR A 16 0.990 -14.444 -5.931 1.00 0.00 H new ATOM 0 HB THR A 16 3.278 -14.885 -4.896 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.077 -13.951 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.191 -16.008 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.435 -16.253 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.071 -15.079 -7.922 1.00 0.00 H new ATOM 247 N ARG A 17 1.025 -13.511 -3.589 1.00 0.00 N ATOM 248 CA ARG A 17 0.802 -12.882 -2.294 1.00 0.00 C ATOM 249 C ARG A 17 2.073 -12.922 -1.423 1.00 0.00 C ATOM 250 O ARG A 17 2.489 -14.002 -0.987 1.00 0.00 O ATOM 251 CB ARG A 17 -0.332 -13.610 -1.562 1.00 0.00 C ATOM 252 CG ARG A 17 -1.373 -12.700 -0.920 1.00 0.00 C ATOM 253 CD ARG A 17 -2.788 -13.120 -1.298 1.00 0.00 C ATOM 254 NE ARG A 17 -3.065 -14.536 -1.008 1.00 0.00 N ATOM 255 CZ ARG A 17 -4.229 -15.005 -0.535 1.00 0.00 C ATOM 256 NH1 ARG A 17 -5.250 -14.186 -0.287 1.00 0.00 N ATOM 257 NH2 ARG A 17 -4.370 -16.304 -0.311 1.00 0.00 N ATOM 0 H ARG A 17 0.680 -14.469 -3.644 1.00 0.00 H new ATOM 0 HA ARG A 17 0.536 -11.839 -2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.835 -14.271 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.103 -14.243 -0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.262 -12.726 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.201 -11.670 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.502 -12.498 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.944 -12.935 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.318 -15.209 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.154 -13.185 -0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.128 -14.560 0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.596 -16.941 -0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.253 -16.667 0.049 1.00 0.00 H new ATOM 271 N PRO A 18 2.717 -11.750 -1.144 1.00 0.00 N ATOM 272 CA PRO A 18 3.924 -11.690 -0.288 1.00 0.00 C ATOM 273 C PRO A 18 3.622 -12.058 1.168 1.00 0.00 C ATOM 274 O PRO A 18 4.508 -12.503 1.904 1.00 0.00 O ATOM 275 CB PRO A 18 4.364 -10.224 -0.367 1.00 0.00 C ATOM 276 CG PRO A 18 3.651 -9.651 -1.545 1.00 0.00 C ATOM 277 CD PRO A 18 2.366 -10.416 -1.672 1.00 0.00 C ATOM 0 HA PRO A 18 4.683 -12.397 -0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.105 -9.688 0.546 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.445 -10.146 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.458 -8.588 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.252 -9.748 -2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.563 -9.954 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.028 -10.468 -2.707 1.00 0.00 H new ATOM 285 N LEU A 19 2.354 -11.874 1.557 1.00 0.00 N ATOM 286 CA LEU A 19 1.881 -12.166 2.892 1.00 0.00 C ATOM 287 C LEU A 19 0.517 -12.807 2.833 1.00 0.00 C ATOM 288 O LEU A 19 -0.005 -13.164 1.773 1.00 0.00 O ATOM 289 CB LEU A 19 1.761 -10.885 3.740 1.00 0.00 C ATOM 290 CG LEU A 19 2.585 -10.772 5.037 1.00 0.00 C ATOM 291 CD1 LEU A 19 2.039 -11.700 6.124 1.00 0.00 C ATOM 292 CD2 LEU A 19 4.059 -11.056 4.799 1.00 0.00 C ATOM 0 H LEU A 19 1.629 -11.513 0.937 1.00 0.00 H new ATOM 0 HA LEU A 19 2.606 -12.840 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.030 -10.042 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.711 -10.762 4.005 1.00 0.00 H new ATOM 0 HG LEU A 19 2.492 -9.741 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.642 -11.597 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.006 -11.433 6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.080 -12.732 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.603 -10.966 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.176 -12.067 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.456 -10.340 4.079 1.00 0.00 H new ATOM 304 N ASP A 20 -0.020 -12.932 4.012 1.00 0.00 N ATOM 305 CA ASP A 20 -1.336 -13.455 4.255 1.00 0.00 C ATOM 306 C ASP A 20 -2.090 -12.486 5.140 1.00 0.00 C ATOM 307 O ASP A 20 -3.323 -12.427 5.124 1.00 0.00 O ATOM 308 CB ASP A 20 -1.264 -14.802 4.943 1.00 0.00 C ATOM 309 CG ASP A 20 -1.856 -15.923 4.111 1.00 0.00 C ATOM 310 OD1 ASP A 20 -3.080 -16.154 4.213 1.00 0.00 O ATOM 311 OD2 ASP A 20 -1.096 -16.569 3.360 1.00 0.00 O ATOM 0 H ASP A 20 0.466 -12.661 4.867 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.847 -13.581 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.223 -15.034 5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.791 -14.746 5.896 1.00 0.00 H new ATOM 316 N THR A 21 -1.307 -11.715 5.906 1.00 0.00 N ATOM 317 CA THR A 21 -1.820 -10.751 6.855 1.00 0.00 C ATOM 318 C THR A 21 -0.702 -9.826 7.388 1.00 0.00 C ATOM 319 O THR A 21 0.388 -9.753 6.834 1.00 0.00 O ATOM 320 CB THR A 21 -2.591 -11.469 8.009 1.00 0.00 C ATOM 321 OG1 THR A 21 -3.360 -10.523 8.760 1.00 0.00 O ATOM 322 CG2 THR A 21 -1.670 -12.244 8.957 1.00 0.00 C ATOM 0 H THR A 21 -0.288 -11.753 5.874 1.00 0.00 H new ATOM 0 HA THR A 21 -2.531 -10.109 6.335 1.00 0.00 H new ATOM 0 HB THR A 21 -3.249 -12.194 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.838 -10.987 9.478 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.266 -12.719 9.736 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.130 -13.007 8.397 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.957 -11.557 9.414 1.00 0.00 H new ATOM 330 N GLY A 22 -1.045 -9.086 8.425 1.00 0.00 N ATOM 331 CA GLY A 22 -0.129 -8.184 9.110 1.00 0.00 C ATOM 332 C GLY A 22 -0.800 -7.508 10.291 1.00 0.00 C ATOM 333 O GLY A 22 -1.670 -6.657 10.105 1.00 0.00 O ATOM 0 H GLY A 22 -1.983 -9.092 8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.743 -8.740 9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.230 -7.428 8.412 1.00 0.00 H new ATOM 337 N ASN A 23 -0.363 -7.852 11.513 1.00 0.00 N ATOM 338 CA ASN A 23 -0.965 -7.306 12.730 1.00 0.00 C ATOM 339 C ASN A 23 0.015 -7.195 13.866 1.00 0.00 C ATOM 340 O ASN A 23 0.643 -8.172 14.283 1.00 0.00 O ATOM 341 CB ASN A 23 -2.195 -8.141 13.157 1.00 0.00 C ATOM 342 CG ASN A 23 -1.933 -9.643 13.135 1.00 0.00 C ATOM 343 OD1 ASN A 23 -1.752 -10.271 14.178 1.00 0.00 O ATOM 344 ND2 ASN A 23 -1.894 -10.214 11.934 1.00 0.00 N ATOM 0 H ASN A 23 0.403 -8.504 11.680 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.288 -6.293 12.489 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.497 -7.845 14.162 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.029 -7.914 12.494 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.708 -11.213 11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.050 -9.652 11.097 1.00 0.00 H new ATOM 351 N ILE A 24 0.096 -5.969 14.368 1.00 0.00 N ATOM 352 CA ILE A 24 0.964 -5.638 15.487 1.00 0.00 C ATOM 353 C ILE A 24 0.122 -5.514 16.745 1.00 0.00 C ATOM 354 O ILE A 24 0.100 -4.486 17.435 1.00 0.00 O ATOM 355 CB ILE A 24 1.762 -4.333 15.276 1.00 0.00 C ATOM 356 CG1 ILE A 24 1.874 -3.953 13.793 1.00 0.00 C ATOM 357 CG2 ILE A 24 3.147 -4.426 15.911 1.00 0.00 C ATOM 358 CD1 ILE A 24 0.635 -3.263 13.265 1.00 0.00 C ATOM 0 H ILE A 24 -0.439 -5.178 14.010 1.00 0.00 H new ATOM 0 HA ILE A 24 1.694 -6.443 15.577 1.00 0.00 H new ATOM 0 HB ILE A 24 1.204 -3.540 15.774 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.735 -3.298 13.655 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.061 -4.852 13.206 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.686 -3.493 15.747 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.045 -4.602 16.982 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.700 -5.249 15.459 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.775 -3.019 12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.224 -3.925 13.373 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.460 -2.347 13.829 1.00 0.00 H new ATOM 370 N THR A 25 -0.536 -6.604 17.021 1.00 0.00 N ATOM 371 CA THR A 25 -1.401 -6.749 18.190 1.00 0.00 C ATOM 372 C THR A 25 -0.704 -7.559 19.286 1.00 0.00 C ATOM 373 O THR A 25 -0.960 -7.366 20.477 1.00 0.00 O ATOM 374 CB THR A 25 -2.758 -7.407 17.803 1.00 0.00 C ATOM 375 OG1 THR A 25 -3.573 -7.606 18.968 1.00 0.00 O ATOM 376 CG2 THR A 25 -2.578 -8.739 17.067 1.00 0.00 C ATOM 0 H THR A 25 -0.495 -7.440 16.438 1.00 0.00 H new ATOM 0 HA THR A 25 -1.606 -5.752 18.579 1.00 0.00 H new ATOM 0 HB THR A 25 -3.254 -6.718 17.120 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.422 -8.019 18.706 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.556 -9.154 16.821 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.012 -8.574 16.150 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.038 -9.438 17.706 1.00 0.00 H new ATOM 384 N THR A 26 0.184 -8.451 18.851 1.00 0.00 N ATOM 385 CA THR A 26 0.941 -9.309 19.761 1.00 0.00 C ATOM 386 C THR A 26 2.429 -8.955 19.720 1.00 0.00 C ATOM 387 O THR A 26 2.986 -8.436 20.691 1.00 0.00 O ATOM 388 CB THR A 26 0.730 -10.813 19.426 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.629 -11.046 19.031 1.00 0.00 O ATOM 390 CG2 THR A 26 1.059 -11.705 20.619 1.00 0.00 C ATOM 0 H THR A 26 0.398 -8.599 17.865 1.00 0.00 H new ATOM 0 HA THR A 26 0.569 -9.135 20.771 1.00 0.00 H new ATOM 0 HB THR A 26 1.406 -11.062 18.608 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.750 -11.995 18.821 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.900 -12.749 20.348 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.100 -11.559 20.906 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.412 -11.445 21.457 1.00 0.00 H new ATOM 398 N GLY A 27 3.039 -9.239 18.581 1.00 0.00 N ATOM 399 CA GLY A 27 4.456 -8.969 18.374 1.00 0.00 C ATOM 400 C GLY A 27 4.862 -9.143 16.925 1.00 0.00 C ATOM 401 O GLY A 27 4.654 -10.215 16.349 1.00 0.00 O ATOM 0 H GLY A 27 2.572 -9.660 17.778 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.682 -7.952 18.694 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.047 -9.638 18.999 1.00 0.00 H new ATOM 405 N PHE A 28 5.466 -8.096 16.340 1.00 0.00 N ATOM 406 CA PHE A 28 5.889 -8.121 14.941 1.00 0.00 C ATOM 407 C PHE A 28 7.165 -8.912 14.717 1.00 0.00 C ATOM 408 O PHE A 28 7.935 -9.164 15.646 1.00 0.00 O ATOM 409 CB PHE A 28 5.976 -6.710 14.352 1.00 0.00 C ATOM 410 CG PHE A 28 5.192 -6.574 13.064 1.00 0.00 C ATOM 411 CD1 PHE A 28 5.849 -6.385 11.861 1.00 0.00 C ATOM 412 CD2 PHE A 28 3.800 -6.664 13.049 1.00 0.00 C ATOM 413 CE1 PHE A 28 5.148 -6.285 10.676 1.00 0.00 C ATOM 414 CE2 PHE A 28 3.097 -6.563 11.865 1.00 0.00 C ATOM 415 CZ PHE A 28 3.772 -6.374 10.680 1.00 0.00 C ATOM 0 H PHE A 28 5.671 -7.220 16.822 1.00 0.00 H new ATOM 0 HA PHE A 28 5.110 -8.655 14.397 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.601 -5.991 15.080 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.021 -6.460 14.167 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.927 -6.315 11.849 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.265 -6.815 13.975 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.677 -6.137 9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.019 -6.632 11.868 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.223 -6.295 9.753 1.00 0.00 H new ATOM 425 N ASN A 29 7.311 -9.353 13.460 1.00 0.00 N ATOM 426 CA ASN A 29 8.408 -10.184 12.972 1.00 0.00 C ATOM 427 C ASN A 29 9.825 -9.628 13.193 1.00 0.00 C ATOM 428 O ASN A 29 10.741 -9.881 12.398 1.00 0.00 O ATOM 429 CB ASN A 29 8.168 -10.443 11.494 1.00 0.00 C ATOM 430 CG ASN A 29 7.066 -11.440 11.238 1.00 0.00 C ATOM 431 OD1 ASN A 29 7.266 -12.652 11.317 1.00 0.00 O ATOM 432 ND2 ASN A 29 5.895 -10.922 10.916 1.00 0.00 N ATOM 0 H ASN A 29 6.637 -9.128 12.729 1.00 0.00 H new ATOM 0 HA ASN A 29 8.394 -11.097 13.567 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.920 -9.502 11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.090 -10.806 11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.103 -11.534 10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.782 -9.910 10.864 1.00 0.00 H new ATOM 439 N GLY A 30 9.995 -8.900 14.278 1.00 0.00 N ATOM 440 CA GLY A 30 11.288 -8.327 14.610 1.00 0.00 C ATOM 441 C GLY A 30 11.332 -6.860 14.283 1.00 0.00 C ATOM 442 O GLY A 30 12.364 -6.207 14.458 1.00 0.00 O ATOM 0 H GLY A 30 9.254 -8.690 14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.492 -8.472 15.671 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.072 -8.849 14.061 1.00 0.00 H new ATOM 446 N TYR A 31 10.201 -6.363 13.781 1.00 0.00 N ATOM 447 CA TYR A 31 10.048 -4.945 13.441 1.00 0.00 C ATOM 448 C TYR A 31 9.248 -4.249 14.564 1.00 0.00 C ATOM 449 O TYR A 31 8.018 -4.129 14.468 1.00 0.00 O ATOM 450 CB TYR A 31 9.337 -4.763 12.080 1.00 0.00 C ATOM 451 CG TYR A 31 9.842 -5.656 10.954 1.00 0.00 C ATOM 452 CD1 TYR A 31 9.494 -7.004 10.886 1.00 0.00 C ATOM 453 CD2 TYR A 31 10.656 -5.143 9.953 1.00 0.00 C ATOM 454 CE1 TYR A 31 9.947 -7.809 9.858 1.00 0.00 C ATOM 455 CE2 TYR A 31 11.112 -5.943 8.922 1.00 0.00 C ATOM 456 CZ TYR A 31 10.754 -7.274 8.880 1.00 0.00 C ATOM 457 OH TYR A 31 11.204 -8.071 7.852 1.00 0.00 O ATOM 0 H TYR A 31 9.370 -6.926 13.599 1.00 0.00 H new ATOM 0 HA TYR A 31 11.036 -4.494 13.352 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.272 -4.949 12.218 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.442 -3.723 11.771 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.859 -7.427 11.650 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.938 -4.101 9.980 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.669 -8.852 9.822 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.746 -5.527 8.153 1.00 0.00 H new ATOM 0 HH TYR A 31 11.761 -7.540 7.246 1.00 0.00 H new ATOM 467 N PRO A 32 9.921 -3.787 15.669 1.00 0.00 N ATOM 468 CA PRO A 32 9.240 -3.139 16.804 1.00 0.00 C ATOM 469 C PRO A 32 8.846 -1.687 16.523 1.00 0.00 C ATOM 470 O PRO A 32 9.611 -0.939 15.907 1.00 0.00 O ATOM 471 CB PRO A 32 10.278 -3.189 17.941 1.00 0.00 C ATOM 472 CG PRO A 32 11.448 -3.951 17.405 1.00 0.00 C ATOM 473 CD PRO A 32 11.374 -3.846 15.912 1.00 0.00 C ATOM 0 HA PRO A 32 8.303 -3.647 17.034 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.573 -2.184 18.243 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.866 -3.679 18.823 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.385 -3.537 17.777 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.412 -4.993 17.723 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.884 -2.957 15.542 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.833 -4.704 15.421 1.00 0.00 H new ATOM 481 N GLY A 33 7.647 -1.306 16.981 1.00 0.00 N ATOM 482 CA GLY A 33 7.154 0.057 16.784 1.00 0.00 C ATOM 483 C GLY A 33 6.404 0.235 15.469 1.00 0.00 C ATOM 484 O GLY A 33 5.973 1.344 15.139 1.00 0.00 O ATOM 0 H GLY A 33 7.007 -1.919 17.486 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.495 0.322 17.611 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.995 0.749 16.813 1.00 0.00 H new ATOM 488 N HIS A 34 6.231 -0.877 14.743 1.00 0.00 N ATOM 489 CA HIS A 34 5.556 -0.911 13.462 1.00 0.00 C ATOM 490 C HIS A 34 4.043 -0.798 13.652 1.00 0.00 C ATOM 491 O HIS A 34 3.464 -1.489 14.495 1.00 0.00 O ATOM 492 CB HIS A 34 5.928 -2.222 12.745 1.00 0.00 C ATOM 493 CG HIS A 34 5.827 -2.179 11.247 1.00 0.00 C ATOM 494 ND1 HIS A 34 5.133 -3.103 10.508 1.00 0.00 N ATOM 495 CD2 HIS A 34 6.334 -1.292 10.348 1.00 0.00 C ATOM 496 CE1 HIS A 34 5.231 -2.755 9.220 1.00 0.00 C ATOM 497 NE2 HIS A 34 5.944 -1.662 9.075 1.00 0.00 N ATOM 0 H HIS A 34 6.567 -1.791 15.046 1.00 0.00 H new ATOM 0 HA HIS A 34 5.872 -0.065 12.852 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.949 -2.490 13.017 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.280 -3.017 13.115 1.00 0.00 H new ATOM 0 HD1 HIS A 34 4.631 -3.912 10.875 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.944 -0.435 10.591 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.782 -3.302 8.405 1.00 0.00 H new ATOM 505 N VAL A 35 3.429 0.096 12.886 1.00 0.00 N ATOM 506 CA VAL A 35 1.985 0.336 12.957 1.00 0.00 C ATOM 507 C VAL A 35 1.257 -0.251 11.740 1.00 0.00 C ATOM 508 O VAL A 35 0.031 -0.181 11.656 1.00 0.00 O ATOM 509 CB VAL A 35 1.637 1.852 13.073 1.00 0.00 C ATOM 510 CG1 VAL A 35 1.138 2.204 14.475 1.00 0.00 C ATOM 511 CG2 VAL A 35 2.819 2.744 12.699 1.00 0.00 C ATOM 0 H VAL A 35 3.912 0.675 12.199 1.00 0.00 H new ATOM 0 HA VAL A 35 1.645 -0.167 13.863 1.00 0.00 H new ATOM 0 HB VAL A 35 0.835 2.041 12.359 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.904 3.268 14.522 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.242 1.625 14.698 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.912 1.970 15.206 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.530 3.791 12.795 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.656 2.537 13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.116 2.542 11.670 1.00 0.00 H new ATOM 521 N GLY A 36 2.020 -0.835 10.809 1.00 0.00 N ATOM 522 CA GLY A 36 1.446 -1.423 9.617 1.00 0.00 C ATOM 523 C GLY A 36 2.054 -2.768 9.302 1.00 0.00 C ATOM 524 O GLY A 36 2.478 -3.494 10.205 1.00 0.00 O ATOM 0 H GLY A 36 3.036 -0.908 10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.370 -1.534 9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.596 -0.750 8.772 1.00 0.00 H new ATOM 528 N VAL A 37 2.087 -3.092 8.016 1.00 0.00 N ATOM 529 CA VAL A 37 2.643 -4.356 7.538 1.00 0.00 C ATOM 530 C VAL A 37 3.607 -4.114 6.361 1.00 0.00 C ATOM 531 O VAL A 37 3.417 -3.177 5.580 1.00 0.00 O ATOM 532 CB VAL A 37 1.508 -5.365 7.177 1.00 0.00 C ATOM 533 CG1 VAL A 37 0.619 -4.851 6.048 1.00 0.00 C ATOM 534 CG2 VAL A 37 2.063 -6.753 6.847 1.00 0.00 C ATOM 0 H VAL A 37 1.731 -2.489 7.274 1.00 0.00 H new ATOM 0 HA VAL A 37 3.223 -4.808 8.342 1.00 0.00 H new ATOM 0 HB VAL A 37 0.885 -5.459 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.156 -5.586 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.154 -3.912 6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.223 -4.687 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.241 -7.425 6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.740 -6.681 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.605 -7.143 7.709 1.00 0.00 H new ATOM 544 N ASP A 38 4.621 -4.980 6.242 1.00 0.00 N ATOM 545 CA ASP A 38 5.626 -4.855 5.187 1.00 0.00 C ATOM 546 C ASP A 38 5.761 -6.132 4.372 1.00 0.00 C ATOM 547 O ASP A 38 5.837 -7.237 4.918 1.00 0.00 O ATOM 548 CB ASP A 38 6.968 -4.416 5.795 1.00 0.00 C ATOM 549 CG ASP A 38 6.896 -3.019 6.383 1.00 0.00 C ATOM 550 OD1 ASP A 38 6.056 -2.218 5.912 1.00 0.00 O ATOM 551 OD2 ASP A 38 7.605 -2.766 7.378 1.00 0.00 O ATOM 0 H ASP A 38 4.764 -5.774 6.865 1.00 0.00 H new ATOM 0 HA ASP A 38 5.296 -4.086 4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.262 -5.122 6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.741 -4.447 5.027 1.00 0.00 H new ATOM 556 N TYR A 39 5.791 -5.941 3.048 1.00 0.00 N ATOM 557 CA TYR A 39 5.888 -7.035 2.083 1.00 0.00 C ATOM 558 C TYR A 39 7.088 -6.819 1.162 1.00 0.00 C ATOM 559 O TYR A 39 7.091 -5.899 0.333 1.00 0.00 O ATOM 560 CB TYR A 39 4.624 -7.133 1.204 1.00 0.00 C ATOM 561 CG TYR A 39 3.284 -6.942 1.898 1.00 0.00 C ATOM 562 CD1 TYR A 39 2.896 -5.688 2.337 1.00 0.00 C ATOM 563 CD2 TYR A 39 2.387 -7.997 2.067 1.00 0.00 C ATOM 564 CE1 TYR A 39 1.670 -5.483 2.919 1.00 0.00 C ATOM 565 CE2 TYR A 39 1.155 -7.793 2.657 1.00 0.00 C ATOM 566 CZ TYR A 39 0.801 -6.537 3.077 1.00 0.00 C ATOM 567 OH TYR A 39 -0.433 -6.334 3.650 1.00 0.00 O ATOM 0 H TYR A 39 5.748 -5.018 2.617 1.00 0.00 H new ATOM 0 HA TYR A 39 6.000 -7.956 2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 39 4.704 -6.389 0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.620 -8.111 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.572 -4.854 2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.660 -8.987 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.388 -4.495 3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.473 -8.620 2.787 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.083 -6.103 2.954 1.00 0.00 H new ATOM 577 N ALA A 40 8.104 -7.665 1.325 1.00 0.00 N ATOM 578 CA ALA A 40 9.327 -7.621 0.509 1.00 0.00 C ATOM 579 C ALA A 40 9.022 -7.701 -0.996 1.00 0.00 C ATOM 580 O ALA A 40 8.639 -8.756 -1.519 1.00 0.00 O ATOM 581 CB ALA A 40 10.280 -8.735 0.927 1.00 0.00 C ATOM 0 H ALA A 40 8.107 -8.404 2.028 1.00 0.00 H new ATOM 0 HA ALA A 40 9.806 -6.658 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.181 -8.691 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.547 -8.611 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.794 -9.701 0.788 1.00 0.00 H new ATOM 587 N VAL A 41 9.190 -6.557 -1.669 1.00 0.00 N ATOM 588 CA VAL A 41 8.939 -6.428 -3.096 1.00 0.00 C ATOM 589 C VAL A 41 9.941 -5.412 -3.699 1.00 0.00 C ATOM 590 O VAL A 41 10.042 -4.284 -3.208 1.00 0.00 O ATOM 591 CB VAL A 41 7.442 -6.045 -3.393 1.00 0.00 C ATOM 592 CG1 VAL A 41 7.054 -4.678 -2.823 1.00 0.00 C ATOM 593 CG2 VAL A 41 7.129 -6.115 -4.887 1.00 0.00 C ATOM 0 H VAL A 41 9.506 -5.693 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 41 9.096 -7.394 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 41 6.834 -6.789 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.011 -4.468 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.187 -4.684 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.688 -3.907 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.086 -5.844 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.775 -5.422 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.302 -7.129 -5.248 1.00 0.00 H new ATOM 603 N PRO A 42 10.683 -5.794 -4.779 1.00 0.00 N ATOM 604 CA PRO A 42 11.700 -4.924 -5.415 1.00 0.00 C ATOM 605 C PRO A 42 11.204 -3.565 -5.877 1.00 0.00 C ATOM 606 O PRO A 42 10.080 -3.392 -6.353 1.00 0.00 O ATOM 607 CB PRO A 42 12.214 -5.748 -6.606 1.00 0.00 C ATOM 608 CG PRO A 42 11.216 -6.838 -6.806 1.00 0.00 C ATOM 609 CD PRO A 42 10.600 -7.100 -5.462 1.00 0.00 C ATOM 0 HA PRO A 42 12.465 -4.666 -4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.303 -5.130 -7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.204 -6.156 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.457 -6.542 -7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.695 -7.736 -7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.568 -7.439 -5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 42 11.142 -7.872 -4.917 1.00 0.00 H new ATOM 617 N VAL A 43 12.119 -2.621 -5.701 1.00 0.00 N ATOM 618 CA VAL A 43 11.970 -1.211 -6.031 1.00 0.00 C ATOM 619 C VAL A 43 11.755 -0.953 -7.529 1.00 0.00 C ATOM 620 O VAL A 43 12.392 -1.586 -8.377 1.00 0.00 O ATOM 621 CB VAL A 43 13.232 -0.446 -5.515 1.00 0.00 C ATOM 622 CG1 VAL A 43 14.535 -1.100 -5.972 1.00 0.00 C ATOM 623 CG2 VAL A 43 13.225 1.034 -5.902 1.00 0.00 C ATOM 0 H VAL A 43 13.034 -2.830 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 43 11.068 -0.846 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 43 13.181 -0.508 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.382 -0.531 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.582 -2.121 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.572 -1.115 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.124 1.515 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.200 1.126 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.345 1.517 -5.477 1.00 0.00 H new ATOM 633 N GLY A 44 10.850 -0.017 -7.824 1.00 0.00 N ATOM 634 CA GLY A 44 10.587 0.355 -9.192 1.00 0.00 C ATOM 635 C GLY A 44 9.331 -0.268 -9.772 1.00 0.00 C ATOM 636 O GLY A 44 9.026 -0.062 -10.950 1.00 0.00 O ATOM 0 H GLY A 44 10.297 0.487 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.503 1.440 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.440 0.067 -9.806 1.00 0.00 H new ATOM 640 N THR A 45 8.604 -1.026 -8.946 1.00 0.00 N ATOM 641 CA THR A 45 7.372 -1.667 -9.361 1.00 0.00 C ATOM 642 C THR A 45 6.186 -0.712 -9.140 1.00 0.00 C ATOM 643 O THR A 45 5.954 -0.290 -8.002 1.00 0.00 O ATOM 644 CB THR A 45 7.141 -2.993 -8.595 1.00 0.00 C ATOM 645 OG1 THR A 45 8.385 -3.682 -8.415 1.00 0.00 O ATOM 646 CG2 THR A 45 6.173 -3.910 -9.340 1.00 0.00 C ATOM 0 H THR A 45 8.860 -1.207 -7.975 1.00 0.00 H new ATOM 0 HA THR A 45 7.452 -1.904 -10.422 1.00 0.00 H new ATOM 0 HB THR A 45 6.708 -2.739 -7.627 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.726 -3.511 -7.512 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.035 -4.831 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.213 -3.408 -9.456 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.580 -4.147 -10.323 1.00 0.00 H new ATOM 654 N PRO A 46 5.409 -0.347 -10.215 1.00 0.00 N ATOM 655 CA PRO A 46 4.259 0.573 -10.086 1.00 0.00 C ATOM 656 C PRO A 46 3.235 0.112 -9.047 1.00 0.00 C ATOM 657 O PRO A 46 2.746 -1.023 -9.093 1.00 0.00 O ATOM 658 CB PRO A 46 3.629 0.584 -11.485 1.00 0.00 C ATOM 659 CG PRO A 46 4.728 0.179 -12.403 1.00 0.00 C ATOM 660 CD PRO A 46 5.590 -0.778 -11.627 1.00 0.00 C ATOM 0 HA PRO A 46 4.583 1.556 -9.743 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.789 -0.108 -11.545 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.247 1.573 -11.738 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.331 -0.295 -13.301 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.303 1.046 -12.728 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.275 -1.811 -11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.634 -0.716 -11.934 1.00 0.00 H new ATOM 668 N VAL A 47 2.934 1.011 -8.112 1.00 0.00 N ATOM 669 CA VAL A 47 1.995 0.764 -7.050 1.00 0.00 C ATOM 670 C VAL A 47 0.673 1.362 -7.420 1.00 0.00 C ATOM 671 O VAL A 47 0.558 2.561 -7.683 1.00 0.00 O ATOM 672 CB VAL A 47 2.470 1.324 -5.678 1.00 0.00 C ATOM 673 CG1 VAL A 47 1.655 0.744 -4.522 1.00 0.00 C ATOM 674 CG2 VAL A 47 3.956 1.057 -5.456 1.00 0.00 C ATOM 0 H VAL A 47 3.349 1.942 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 47 1.908 -0.316 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 47 2.310 2.402 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.015 1.158 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.604 1.001 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.765 -0.340 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.258 1.460 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.139 -0.017 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.534 1.537 -6.246 1.00 0.00 H new ATOM 684 N ARG A 48 -0.299 0.485 -7.458 1.00 0.00 N ATOM 685 CA ARG A 48 -1.644 0.849 -7.792 1.00 0.00 C ATOM 686 C ARG A 48 -2.516 0.926 -6.563 1.00 0.00 C ATOM 687 O ARG A 48 -2.287 0.225 -5.572 1.00 0.00 O ATOM 688 CB ARG A 48 -2.247 -0.110 -8.831 1.00 0.00 C ATOM 689 CG ARG A 48 -1.561 -0.066 -10.190 1.00 0.00 C ATOM 690 CD ARG A 48 -0.508 -1.152 -10.332 1.00 0.00 C ATOM 691 NE ARG A 48 0.228 -1.034 -11.596 1.00 0.00 N ATOM 692 CZ ARG A 48 0.065 -1.839 -12.655 1.00 0.00 C ATOM 693 NH1 ARG A 48 -0.808 -2.846 -12.630 1.00 0.00 N ATOM 694 NH2 ARG A 48 0.783 -1.633 -13.751 1.00 0.00 N ATOM 0 H ARG A 48 -0.173 -0.507 -7.256 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.606 1.843 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.196 -1.127 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.302 0.129 -8.961 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.307 -0.180 -10.976 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.096 0.910 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.191 -1.093 -9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.985 -2.131 -10.279 1.00 0.00 H new ATOM 0 HE ARG A 48 0.915 -0.284 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.367 -3.015 -11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.917 -3.447 -13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.454 -0.866 -13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.664 -2.242 -14.561 1.00 0.00 H new ATOM 708 N ALA A 49 -3.548 1.767 -6.663 1.00 0.00 N ATOM 709 CA ALA A 49 -4.467 2.001 -5.569 1.00 0.00 C ATOM 710 C ALA A 49 -5.384 0.806 -5.342 1.00 0.00 C ATOM 711 O ALA A 49 -6.056 0.337 -6.261 1.00 0.00 O ATOM 712 CB ALA A 49 -5.282 3.261 -5.817 1.00 0.00 C ATOM 0 H ALA A 49 -3.762 2.299 -7.506 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.875 2.139 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.967 3.421 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.612 4.116 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.852 3.150 -6.740 1.00 0.00 H new ATOM 718 N VAL A 50 -5.361 0.289 -4.118 1.00 0.00 N ATOM 719 CA VAL A 50 -6.192 -0.865 -3.735 1.00 0.00 C ATOM 720 C VAL A 50 -7.703 -0.544 -3.762 1.00 0.00 C ATOM 721 O VAL A 50 -8.531 -1.453 -3.888 1.00 0.00 O ATOM 722 CB VAL A 50 -5.781 -1.428 -2.351 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.611 -2.646 -1.947 1.00 0.00 C ATOM 724 CG2 VAL A 50 -4.299 -1.785 -2.324 1.00 0.00 C ATOM 0 H VAL A 50 -4.775 0.648 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.010 -1.633 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.975 -0.637 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.283 -3.002 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.664 -2.369 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.478 -3.438 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.037 -2.178 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.093 -2.540 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.706 -0.893 -2.528 1.00 0.00 H new ATOM 734 N ALA A 51 -8.044 0.747 -3.673 1.00 0.00 N ATOM 735 CA ALA A 51 -9.424 1.209 -3.685 1.00 0.00 C ATOM 736 C ALA A 51 -9.483 2.711 -3.873 1.00 0.00 C ATOM 737 O ALA A 51 -8.617 3.448 -3.393 1.00 0.00 O ATOM 738 CB ALA A 51 -10.152 0.821 -2.404 1.00 0.00 C ATOM 0 H ALA A 51 -7.361 1.500 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.923 0.724 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.180 1.181 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.152 -0.264 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.646 1.268 -1.548 1.00 0.00 H new ATOM 744 N ASN A 52 -10.503 3.147 -4.609 1.00 0.00 N ATOM 745 CA ASN A 52 -10.747 4.548 -4.893 1.00 0.00 C ATOM 746 C ASN A 52 -10.963 5.368 -3.617 1.00 0.00 C ATOM 747 O ASN A 52 -11.373 4.827 -2.585 1.00 0.00 O ATOM 748 CB ASN A 52 -11.962 4.687 -5.823 1.00 0.00 C ATOM 749 CG ASN A 52 -13.143 3.785 -5.490 1.00 0.00 C ATOM 750 OD1 ASN A 52 -13.420 3.635 -4.213 1.00 0.00 O flip ATOM 751 ND2 ASN A 52 -13.800 3.245 -6.381 1.00 0.00 N flip ATOM 0 H ASN A 52 -11.191 2.522 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.859 4.944 -5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.300 5.723 -5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.643 4.478 -6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.549 3.390 -7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.595 2.653 -6.141 1.00 0.00 H new ATOM 758 N GLY A 53 -10.692 6.667 -3.712 1.00 0.00 N ATOM 759 CA GLY A 53 -10.857 7.549 -2.568 1.00 0.00 C ATOM 760 C GLY A 53 -10.243 8.922 -2.761 1.00 0.00 C ATOM 761 O GLY A 53 -10.527 9.604 -3.750 1.00 0.00 O ATOM 0 H GLY A 53 -10.361 7.125 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.921 7.663 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.409 7.080 -1.692 1.00 0.00 H new ATOM 765 N THR A 54 -9.384 9.315 -1.808 1.00 0.00 N ATOM 766 CA THR A 54 -8.741 10.599 -1.800 1.00 0.00 C ATOM 767 C THR A 54 -7.358 10.486 -1.161 1.00 0.00 C ATOM 768 O THR A 54 -7.184 9.772 -0.175 1.00 0.00 O ATOM 769 CB THR A 54 -9.583 11.607 -1.008 1.00 0.00 C ATOM 770 OG1 THR A 54 -10.960 11.524 -1.404 1.00 0.00 O ATOM 771 CG2 THR A 54 -9.097 13.047 -1.181 1.00 0.00 C ATOM 0 H THR A 54 -9.125 8.726 -1.017 1.00 0.00 H new ATOM 0 HA THR A 54 -8.640 10.943 -2.829 1.00 0.00 H new ATOM 0 HB THR A 54 -9.475 11.344 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.488 12.171 -0.891 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.729 13.717 -0.598 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.067 13.127 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.148 13.324 -2.234 1.00 0.00 H new ATOM 779 N VAL A 55 -6.405 11.226 -1.722 1.00 0.00 N ATOM 780 CA VAL A 55 -5.031 11.258 -1.257 1.00 0.00 C ATOM 781 C VAL A 55 -4.910 12.295 -0.136 1.00 0.00 C ATOM 782 O VAL A 55 -5.081 13.494 -0.354 1.00 0.00 O ATOM 783 CB VAL A 55 -4.045 11.621 -2.407 1.00 0.00 C ATOM 784 CG1 VAL A 55 -2.590 11.379 -2.015 1.00 0.00 C ATOM 785 CG2 VAL A 55 -4.363 10.859 -3.690 1.00 0.00 C ATOM 0 H VAL A 55 -6.575 11.829 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.768 10.265 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.179 12.687 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.940 11.646 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.340 11.991 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.450 10.327 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.652 11.141 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.291 9.787 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.374 11.103 -4.017 1.00 0.00 H new ATOM 795 N LYS A 56 -4.649 11.797 1.051 1.00 0.00 N ATOM 796 CA LYS A 56 -4.489 12.628 2.252 1.00 0.00 C ATOM 797 C LYS A 56 -3.020 12.934 2.499 1.00 0.00 C ATOM 798 O LYS A 56 -2.677 13.821 3.290 1.00 0.00 O ATOM 799 CB LYS A 56 -5.083 11.963 3.522 1.00 0.00 C ATOM 800 CG LYS A 56 -6.135 10.868 3.291 1.00 0.00 C ATOM 801 CD LYS A 56 -7.279 11.321 2.385 1.00 0.00 C ATOM 802 CE LYS A 56 -8.398 12.017 3.156 1.00 0.00 C ATOM 803 NZ LYS A 56 -9.577 12.298 2.291 1.00 0.00 N ATOM 0 H LYS A 56 -4.538 10.798 1.226 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.040 13.549 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.263 11.533 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.531 12.743 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.653 9.996 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.542 10.555 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.890 11.999 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.687 10.457 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.704 11.392 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.024 12.951 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.272 12.860 2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.272 12.830 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.011 11.401 1.994 1.00 0.00 H new ATOM 817 N PHE A 57 -2.162 12.176 1.815 1.00 0.00 N ATOM 818 CA PHE A 57 -0.721 12.325 1.902 1.00 0.00 C ATOM 819 C PHE A 57 -0.062 11.825 0.625 1.00 0.00 C ATOM 820 O PHE A 57 -0.448 10.799 0.059 1.00 0.00 O ATOM 821 CB PHE A 57 -0.132 11.579 3.112 1.00 0.00 C ATOM 822 CG PHE A 57 1.167 12.162 3.596 1.00 0.00 C ATOM 823 CD1 PHE A 57 2.368 11.781 3.016 1.00 0.00 C ATOM 824 CD2 PHE A 57 1.186 13.101 4.614 1.00 0.00 C ATOM 825 CE1 PHE A 57 3.562 12.327 3.442 1.00 0.00 C ATOM 826 CE2 PHE A 57 2.379 13.649 5.045 1.00 0.00 C ATOM 827 CZ PHE A 57 3.569 13.261 4.458 1.00 0.00 C ATOM 0 H PHE A 57 -2.458 11.435 1.180 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.516 13.387 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.855 11.595 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.024 10.534 2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.369 11.049 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.259 13.408 5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.490 12.024 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.382 14.380 5.840 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.502 13.688 4.794 1.00 0.00 H new ATOM 837 N ALA A 58 0.950 12.571 0.211 1.00 0.00 N ATOM 838 CA ALA A 58 1.733 12.298 -0.976 1.00 0.00 C ATOM 839 C ALA A 58 3.171 12.731 -0.725 1.00 0.00 C ATOM 840 O ALA A 58 3.547 13.895 -0.924 1.00 0.00 O ATOM 841 CB ALA A 58 1.147 12.999 -2.201 1.00 0.00 C ATOM 0 H ALA A 58 1.255 13.407 0.709 1.00 0.00 H new ATOM 0 HA ALA A 58 1.710 11.229 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.757 12.774 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.129 12.648 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.136 14.076 -2.033 1.00 0.00 H new ATOM 847 N GLY A 59 3.952 11.770 -0.259 1.00 0.00 N ATOM 848 CA GLY A 59 5.352 11.985 0.055 1.00 0.00 C ATOM 849 C GLY A 59 6.285 11.628 -1.084 1.00 0.00 C ATOM 850 O GLY A 59 6.751 10.485 -1.173 1.00 0.00 O ATOM 0 H GLY A 59 3.631 10.817 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.500 13.031 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.616 11.392 0.931 1.00 0.00 H new ATOM 854 N ASN A 60 6.557 12.629 -1.940 1.00 0.00 N ATOM 855 CA ASN A 60 7.439 12.493 -3.105 1.00 0.00 C ATOM 856 C ASN A 60 8.899 12.331 -2.715 1.00 0.00 C ATOM 857 O ASN A 60 9.478 13.157 -2.004 1.00 0.00 O ATOM 858 CB ASN A 60 7.277 13.702 -4.033 1.00 0.00 C ATOM 859 CG ASN A 60 5.948 13.706 -4.754 1.00 0.00 C ATOM 860 OD1 ASN A 60 4.891 13.371 -4.032 1.00 0.00 O flip ATOM 861 ND2 ASN A 60 5.870 14.021 -5.942 1.00 0.00 N flip ATOM 0 H ASN A 60 6.164 13.565 -1.838 1.00 0.00 H new ATOM 0 HA ASN A 60 7.141 11.584 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.373 14.618 -3.450 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.084 13.704 -4.766 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.712 14.272 -6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.963 14.031 -6.409 1.00 0.00 H new ATOM 868 N GLY A 61 9.455 11.239 -3.210 1.00 0.00 N ATOM 869 CA GLY A 61 10.846 10.869 -2.966 1.00 0.00 C ATOM 870 C GLY A 61 11.838 11.607 -3.852 1.00 0.00 C ATOM 871 O GLY A 61 13.048 11.389 -3.748 1.00 0.00 O ATOM 0 H GLY A 61 8.952 10.575 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.088 11.067 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.960 9.796 -3.122 1.00 0.00 H new ATOM 875 N ALA A 62 11.317 12.470 -4.729 1.00 0.00 N ATOM 876 CA ALA A 62 12.139 13.235 -5.658 1.00 0.00 C ATOM 877 C ALA A 62 12.810 14.441 -5.011 1.00 0.00 C ATOM 878 O ALA A 62 13.918 14.825 -5.398 1.00 0.00 O ATOM 879 CB ALA A 62 11.298 13.686 -6.839 1.00 0.00 C ATOM 0 H ALA A 62 10.317 12.654 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 62 12.937 12.572 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.918 14.257 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.893 12.813 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.479 14.311 -6.485 1.00 0.00 H new ATOM 885 N ASN A 63 12.130 15.024 -4.027 1.00 0.00 N ATOM 886 CA ASN A 63 12.625 16.205 -3.338 1.00 0.00 C ATOM 887 C ASN A 63 12.389 16.128 -1.827 1.00 0.00 C ATOM 888 O ASN A 63 12.272 17.159 -1.149 1.00 0.00 O ATOM 889 CB ASN A 63 11.959 17.446 -3.905 1.00 0.00 C ATOM 890 CG ASN A 63 12.947 18.484 -4.370 1.00 0.00 C ATOM 891 OD1 ASN A 63 13.503 19.242 -3.575 1.00 0.00 O ATOM 892 ND2 ASN A 63 13.149 18.530 -5.674 1.00 0.00 N ATOM 0 H ASN A 63 11.227 14.691 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 63 13.702 16.257 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.321 17.159 -4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.311 17.883 -3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.792 19.218 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.662 17.878 -6.289 1.00 0.00 H new ATOM 899 N HIS A 64 12.322 14.903 -1.299 1.00 0.00 N ATOM 900 CA HIS A 64 12.069 14.683 0.097 1.00 0.00 C ATOM 901 C HIS A 64 13.316 14.868 0.995 1.00 0.00 C ATOM 902 O HIS A 64 14.292 14.122 0.863 1.00 0.00 O ATOM 903 CB HIS A 64 11.455 13.287 0.309 1.00 0.00 C ATOM 904 CG HIS A 64 12.269 12.105 -0.176 1.00 0.00 C ATOM 905 ND1 HIS A 64 11.918 10.801 0.110 1.00 0.00 N ATOM 906 CD2 HIS A 64 13.409 12.025 -0.916 1.00 0.00 C ATOM 907 CE1 HIS A 64 12.801 9.978 -0.426 1.00 0.00 C ATOM 908 NE2 HIS A 64 13.713 10.695 -1.054 1.00 0.00 N ATOM 0 H HIS A 64 12.444 14.047 -1.840 1.00 0.00 H new ATOM 0 HA HIS A 64 11.361 15.452 0.406 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.267 13.156 1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.487 13.262 -0.191 1.00 0.00 H new ATOM 0 HD2 HIS A 64 13.970 12.855 -1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 64 12.780 8.900 -0.361 1.00 0.00 H new ATOM 0 HE2 HIS A 64 14.515 10.320 -1.561 1.00 0.00 H new ATOM 917 N PRO A 65 13.310 15.880 1.919 1.00 0.00 N ATOM 918 CA PRO A 65 14.397 16.121 2.868 1.00 0.00 C ATOM 919 C PRO A 65 14.472 15.034 3.908 1.00 0.00 C ATOM 920 O PRO A 65 13.578 14.220 4.020 1.00 0.00 O ATOM 921 CB PRO A 65 14.011 17.447 3.550 1.00 0.00 C ATOM 922 CG PRO A 65 13.032 18.058 2.642 1.00 0.00 C ATOM 923 CD PRO A 65 12.266 16.900 2.110 1.00 0.00 C ATOM 0 HA PRO A 65 15.366 16.147 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.583 17.275 4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.880 18.090 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.383 18.759 3.167 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.521 18.614 1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.498 16.567 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.762 17.143 1.175 1.00 0.00 H new ATOM 931 N TRP A 66 15.588 14.960 4.577 1.00 0.00 N ATOM 932 CA TRP A 66 15.744 14.012 5.657 1.00 0.00 C ATOM 933 C TRP A 66 15.510 14.745 6.972 1.00 0.00 C ATOM 934 O TRP A 66 15.775 14.221 8.061 1.00 0.00 O ATOM 935 CB TRP A 66 17.110 13.347 5.656 1.00 0.00 C ATOM 936 CG TRP A 66 17.382 12.515 4.433 1.00 0.00 C ATOM 937 CD1 TRP A 66 17.685 12.974 3.181 1.00 0.00 C ATOM 938 CD2 TRP A 66 17.368 11.081 4.339 1.00 0.00 C ATOM 939 NE1 TRP A 66 17.849 11.921 2.317 1.00 0.00 N ATOM 940 CE2 TRP A 66 17.663 10.749 3.002 1.00 0.00 C ATOM 941 CE3 TRP A 66 17.132 10.044 5.251 1.00 0.00 C ATOM 942 CZ2 TRP A 66 17.728 9.431 2.557 1.00 0.00 C ATOM 943 CZ3 TRP A 66 17.198 8.736 4.806 1.00 0.00 C ATOM 944 CH2 TRP A 66 17.494 8.440 3.470 1.00 0.00 C ATOM 0 H TRP A 66 16.406 15.542 4.398 1.00 0.00 H new ATOM 0 HA TRP A 66 15.015 13.212 5.525 1.00 0.00 H new ATOM 0 HB2 TRP A 66 17.878 14.116 5.738 1.00 0.00 H new ATOM 0 HB3 TRP A 66 17.196 12.715 6.540 1.00 0.00 H new ATOM 0 HD1 TRP A 66 17.781 14.015 2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 66 18.073 11.998 1.325 1.00 0.00 H new ATOM 0 HE3 TRP A 66 16.903 10.262 6.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 17.955 9.200 1.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 17.018 7.929 5.501 1.00 0.00 H new ATOM 0 HH2 TRP A 66 17.538 7.408 3.154 1.00 0.00 H new ATOM 955 N MET A 67 14.972 15.973 6.840 1.00 0.00 N ATOM 956 CA MET A 67 14.673 16.817 7.978 1.00 0.00 C ATOM 957 C MET A 67 13.389 16.367 8.637 1.00 0.00 C ATOM 958 O MET A 67 13.311 16.272 9.866 1.00 0.00 O ATOM 959 CB MET A 67 14.578 18.287 7.562 1.00 0.00 C ATOM 960 CG MET A 67 15.900 19.033 7.642 1.00 0.00 C ATOM 961 SD MET A 67 15.714 20.800 7.338 1.00 0.00 S ATOM 962 CE MET A 67 17.333 21.395 7.822 1.00 0.00 C ATOM 0 H MET A 67 14.739 16.392 5.940 1.00 0.00 H new ATOM 0 HA MET A 67 15.488 16.725 8.696 1.00 0.00 H new ATOM 0 HB2 MET A 67 14.201 18.342 6.541 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.849 18.789 8.198 1.00 0.00 H new ATOM 0 HG2 MET A 67 16.340 18.881 8.628 1.00 0.00 H new ATOM 0 HG3 MET A 67 16.595 18.613 6.915 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.377 22.476 7.691 1.00 0.00 H new ATOM 0 HE2 MET A 67 17.513 21.148 8.868 1.00 0.00 H new ATOM 0 HE3 MET A 67 18.095 20.923 7.201 1.00 0.00 H new ATOM 972 N LEU A 68 12.391 16.081 7.809 1.00 0.00 N ATOM 973 CA LEU A 68 11.133 15.588 8.312 1.00 0.00 C ATOM 974 C LEU A 68 10.845 14.204 7.722 1.00 0.00 C ATOM 975 O LEU A 68 9.732 13.686 7.867 1.00 0.00 O ATOM 976 CB LEU A 68 9.985 16.606 8.073 1.00 0.00 C ATOM 977 CG LEU A 68 9.594 16.917 6.625 1.00 0.00 C ATOM 978 CD1 LEU A 68 8.436 16.022 6.182 1.00 0.00 C ATOM 979 CD2 LEU A 68 9.212 18.383 6.481 1.00 0.00 C ATOM 0 H LEU A 68 12.436 16.184 6.795 1.00 0.00 H new ATOM 0 HA LEU A 68 11.200 15.473 9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.098 16.237 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.264 17.544 8.553 1.00 0.00 H new ATOM 0 HG LEU A 68 10.453 16.717 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.170 16.255 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.737 14.977 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.575 16.195 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.937 18.587 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.366 18.604 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.059 19.009 6.762 1.00 0.00 H new ATOM 991 N TRP A 69 11.863 13.597 7.050 1.00 0.00 N ATOM 992 CA TRP A 69 11.665 12.285 6.438 1.00 0.00 C ATOM 993 C TRP A 69 12.751 11.297 6.853 1.00 0.00 C ATOM 994 O TRP A 69 13.895 11.683 7.108 1.00 0.00 O ATOM 995 CB TRP A 69 11.592 12.380 4.895 1.00 0.00 C ATOM 996 CG TRP A 69 10.866 13.602 4.365 1.00 0.00 C ATOM 997 CD1 TRP A 69 11.185 14.907 4.612 1.00 0.00 C ATOM 998 CD2 TRP A 69 9.732 13.638 3.488 1.00 0.00 C ATOM 999 NE1 TRP A 69 10.309 15.740 3.989 1.00 0.00 N ATOM 1000 CE2 TRP A 69 9.412 14.994 3.280 1.00 0.00 C ATOM 1001 CE3 TRP A 69 8.947 12.667 2.867 1.00 0.00 C ATOM 1002 CZ2 TRP A 69 8.352 15.401 2.484 1.00 0.00 C ATOM 1003 CZ3 TRP A 69 7.897 13.076 2.074 1.00 0.00 C ATOM 1004 CH2 TRP A 69 7.607 14.432 1.888 1.00 0.00 C ATOM 0 H TRP A 69 12.795 13.993 6.929 1.00 0.00 H new ATOM 0 HA TRP A 69 10.708 11.912 6.804 1.00 0.00 H new ATOM 0 HB2 TRP A 69 12.607 12.377 4.497 1.00 0.00 H new ATOM 0 HB3 TRP A 69 11.097 11.487 4.513 1.00 0.00 H new ATOM 0 HD1 TRP A 69 12.018 15.232 5.218 1.00 0.00 H new ATOM 0 HE1 TRP A 69 10.320 16.759 4.043 1.00 0.00 H new ATOM 0 HE3 TRP A 69 9.158 11.617 3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.127 16.448 2.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.284 12.333 1.585 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.776 14.715 1.259 1.00 0.00 H new ATOM 1015 N MET A 70 12.351 10.026 6.970 1.00 0.00 N ATOM 1016 CA MET A 70 13.258 8.934 7.337 1.00 0.00 C ATOM 1017 C MET A 70 12.956 7.687 6.506 1.00 0.00 C ATOM 1018 O MET A 70 13.874 6.961 6.113 1.00 0.00 O ATOM 1019 CB MET A 70 13.158 8.610 8.832 1.00 0.00 C ATOM 1020 CG MET A 70 13.945 9.570 9.711 1.00 0.00 C ATOM 1021 SD MET A 70 13.872 9.135 11.459 1.00 0.00 S ATOM 1022 CE MET A 70 15.041 10.308 12.145 1.00 0.00 C ATOM 0 H MET A 70 11.389 9.726 6.813 1.00 0.00 H new ATOM 0 HA MET A 70 14.277 9.260 7.127 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.110 8.630 9.132 1.00 0.00 H new ATOM 0 HB3 MET A 70 13.518 7.595 9.001 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.986 9.582 9.387 1.00 0.00 H new ATOM 0 HG3 MET A 70 13.558 10.580 9.576 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.109 10.166 13.224 1.00 0.00 H new ATOM 0 HE2 MET A 70 16.021 10.149 11.696 1.00 0.00 H new ATOM 0 HE3 MET A 70 14.705 11.323 11.933 1.00 0.00 H new ATOM 1032 N ALA A 71 11.662 7.464 6.222 1.00 0.00 N ATOM 1033 CA ALA A 71 11.216 6.312 5.426 1.00 0.00 C ATOM 1034 C ALA A 71 11.203 6.637 3.933 1.00 0.00 C ATOM 1035 O ALA A 71 11.247 5.734 3.091 1.00 0.00 O ATOM 1036 CB ALA A 71 9.838 5.856 5.881 1.00 0.00 C ATOM 0 H ALA A 71 10.904 8.071 6.535 1.00 0.00 H new ATOM 0 HA ALA A 71 11.927 5.501 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.521 5.002 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.879 5.567 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.125 6.671 5.756 1.00 0.00 H new ATOM 1042 N GLY A 72 11.152 7.935 3.626 1.00 0.00 N ATOM 1043 CA GLY A 72 11.153 8.399 2.246 1.00 0.00 C ATOM 1044 C GLY A 72 9.768 8.655 1.676 1.00 0.00 C ATOM 1045 O GLY A 72 9.073 9.576 2.113 1.00 0.00 O ATOM 0 H GLY A 72 11.109 8.681 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.735 9.318 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.658 7.659 1.626 1.00 0.00 H new ATOM 1049 N ASN A 73 9.376 7.828 0.694 1.00 0.00 N ATOM 1050 CA ASN A 73 8.088 7.947 0.015 1.00 0.00 C ATOM 1051 C ASN A 73 6.946 7.336 0.818 1.00 0.00 C ATOM 1052 O ASN A 73 7.058 6.219 1.333 1.00 0.00 O ATOM 1053 CB ASN A 73 8.139 7.268 -1.352 1.00 0.00 C ATOM 1054 CG ASN A 73 9.015 7.986 -2.357 1.00 0.00 C ATOM 1055 OD1 ASN A 73 8.523 8.719 -3.213 1.00 0.00 O ATOM 1056 ND2 ASN A 73 10.321 7.769 -2.262 1.00 0.00 N ATOM 0 H ASN A 73 9.950 7.057 0.352 1.00 0.00 H new ATOM 0 HA ASN A 73 7.897 9.014 -0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.504 6.249 -1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.127 7.197 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.962 8.219 -2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.684 7.152 -1.535 1.00 0.00 H new ATOM 1063 N ALA A 74 5.829 8.068 0.875 1.00 0.00 N ATOM 1064 CA ALA A 74 4.645 7.628 1.599 1.00 0.00 C ATOM 1065 C ALA A 74 3.376 8.156 0.951 1.00 0.00 C ATOM 1066 O ALA A 74 3.360 9.264 0.419 1.00 0.00 O ATOM 1067 CB ALA A 74 4.704 8.045 3.067 1.00 0.00 C ATOM 0 H ALA A 74 5.726 8.976 0.422 1.00 0.00 H new ATOM 0 HA ALA A 74 4.625 6.539 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.805 7.701 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.582 7.601 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.767 9.131 3.134 1.00 0.00 H new ATOM 1073 N VAL A 75 2.308 7.357 1.017 1.00 0.00 N ATOM 1074 CA VAL A 75 1.021 7.732 0.435 1.00 0.00 C ATOM 1075 C VAL A 75 -0.108 7.326 1.362 1.00 0.00 C ATOM 1076 O VAL A 75 -0.258 6.150 1.693 1.00 0.00 O ATOM 1077 CB VAL A 75 0.736 7.083 -0.959 1.00 0.00 C ATOM 1078 CG1 VAL A 75 -0.209 7.957 -1.777 1.00 0.00 C ATOM 1079 CG2 VAL A 75 2.004 6.814 -1.751 1.00 0.00 C ATOM 0 H VAL A 75 2.312 6.443 1.470 1.00 0.00 H new ATOM 0 HA VAL A 75 1.074 8.812 0.299 1.00 0.00 H new ATOM 0 HB VAL A 75 0.264 6.120 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.394 7.487 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.152 8.072 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.243 8.937 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.746 6.363 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.532 7.752 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.645 6.133 -1.191 1.00 0.00 H new ATOM 1089 N LEU A 76 -0.897 8.304 1.760 1.00 0.00 N ATOM 1090 CA LEU A 76 -2.041 8.059 2.599 1.00 0.00 C ATOM 1091 C LEU A 76 -3.253 8.508 1.853 1.00 0.00 C ATOM 1092 O LEU A 76 -3.314 9.613 1.320 1.00 0.00 O ATOM 1093 CB LEU A 76 -1.939 8.752 3.945 1.00 0.00 C ATOM 1094 CG LEU A 76 -2.253 7.882 5.167 1.00 0.00 C ATOM 1095 CD1 LEU A 76 -1.066 7.855 6.116 1.00 0.00 C ATOM 1096 CD2 LEU A 76 -3.492 8.395 5.881 1.00 0.00 C ATOM 0 H LEU A 76 -0.760 9.283 1.510 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.098 6.994 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.929 9.147 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.617 9.605 3.946 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.448 6.865 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.304 7.233 6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.198 7.444 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.844 8.869 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.700 7.765 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.324 9.420 6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.342 8.368 5.199 1.00 0.00 H new ATOM 1108 N ILE A 77 -4.194 7.611 1.828 1.00 0.00 N ATOM 1109 CA ILE A 77 -5.431 7.761 1.110 1.00 0.00 C ATOM 1110 C ILE A 77 -6.591 7.186 1.918 1.00 0.00 C ATOM 1111 O ILE A 77 -6.426 6.278 2.734 1.00 0.00 O ATOM 1112 CB ILE A 77 -5.322 7.058 -0.282 1.00 0.00 C ATOM 1113 CG1 ILE A 77 -4.418 7.859 -1.227 1.00 0.00 C ATOM 1114 CG2 ILE A 77 -6.687 6.816 -0.945 1.00 0.00 C ATOM 1115 CD1 ILE A 77 -3.573 7.002 -2.155 1.00 0.00 C ATOM 0 H ILE A 77 -4.121 6.722 2.324 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.625 8.822 0.952 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.879 6.080 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.038 8.524 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.758 8.490 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.542 6.325 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.296 6.181 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.192 7.770 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.963 7.645 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.924 6.356 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.224 6.390 -2.778 1.00 0.00 H new ATOM 1127 N GLN A 78 -7.747 7.773 1.684 1.00 0.00 N ATOM 1128 CA GLN A 78 -8.985 7.376 2.289 1.00 0.00 C ATOM 1129 C GLN A 78 -9.751 6.514 1.290 1.00 0.00 C ATOM 1130 O GLN A 78 -10.140 6.974 0.215 1.00 0.00 O ATOM 1131 CB GLN A 78 -9.803 8.602 2.699 1.00 0.00 C ATOM 1132 CG GLN A 78 -11.160 8.265 3.307 1.00 0.00 C ATOM 1133 CD GLN A 78 -12.247 9.170 2.809 1.00 0.00 C ATOM 1134 OE1 GLN A 78 -12.567 10.197 3.407 1.00 0.00 O ATOM 1135 NE2 GLN A 78 -12.807 8.778 1.686 1.00 0.00 N ATOM 0 H GLN A 78 -7.845 8.563 1.047 1.00 0.00 H new ATOM 0 HA GLN A 78 -8.791 6.801 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.229 9.186 3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.955 9.234 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.414 7.232 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.098 8.339 4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.499 7.916 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.550 9.336 1.265 1.00 0.00 H new ATOM 1144 N HIS A 79 -9.941 5.269 1.675 1.00 0.00 N ATOM 1145 CA HIS A 79 -10.628 4.270 0.856 1.00 0.00 C ATOM 1146 C HIS A 79 -12.113 4.528 0.679 1.00 0.00 C ATOM 1147 O HIS A 79 -12.657 5.524 1.163 1.00 0.00 O ATOM 1148 CB HIS A 79 -10.416 2.869 1.424 1.00 0.00 C ATOM 1149 CG HIS A 79 -9.173 2.193 0.923 1.00 0.00 C ATOM 1150 ND1 HIS A 79 -8.580 2.511 -0.281 1.00 0.00 N ATOM 1151 CD2 HIS A 79 -8.413 1.214 1.467 1.00 0.00 C ATOM 1152 CE1 HIS A 79 -7.508 1.758 -0.455 1.00 0.00 C ATOM 1153 NE2 HIS A 79 -7.384 0.964 0.592 1.00 0.00 N ATOM 0 H HIS A 79 -9.622 4.910 2.575 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.179 4.349 -0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.371 2.931 2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.279 2.252 1.175 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.917 3.217 -0.935 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.584 0.721 2.413 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.846 1.787 -1.308 1.00 0.00 H new ATOM 1162 N ALA A 80 -12.748 3.589 -0.030 1.00 0.00 N ATOM 1163 CA ALA A 80 -14.160 3.653 -0.350 1.00 0.00 C ATOM 1164 C ALA A 80 -15.078 3.555 0.875 1.00 0.00 C ATOM 1165 O ALA A 80 -16.256 3.918 0.799 1.00 0.00 O ATOM 1166 CB ALA A 80 -14.523 2.582 -1.367 1.00 0.00 C ATOM 0 H ALA A 80 -12.283 2.759 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 80 -14.327 4.642 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.587 2.644 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.946 2.735 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -14.297 1.598 -0.956 1.00 0.00 H new ATOM 1172 N ASP A 81 -14.528 3.075 1.991 1.00 0.00 N ATOM 1173 CA ASP A 81 -15.279 2.919 3.225 1.00 0.00 C ATOM 1174 C ASP A 81 -15.024 4.091 4.163 1.00 0.00 C ATOM 1175 O ASP A 81 -15.731 4.272 5.161 1.00 0.00 O ATOM 1176 CB ASP A 81 -14.929 1.609 3.904 1.00 0.00 C ATOM 1177 CG ASP A 81 -16.107 0.656 3.959 1.00 0.00 C ATOM 1178 OD1 ASP A 81 -16.871 0.713 4.945 1.00 0.00 O ATOM 1179 OD2 ASP A 81 -16.264 -0.147 3.016 1.00 0.00 O ATOM 0 H ASP A 81 -13.552 2.786 2.059 1.00 0.00 H new ATOM 0 HA ASP A 81 -16.340 2.904 2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -14.105 1.135 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.579 1.809 4.917 1.00 0.00 H new ATOM 1184 N GLY A 82 -14.006 4.880 3.819 1.00 0.00 N ATOM 1185 CA GLY A 82 -13.649 6.048 4.590 1.00 0.00 C ATOM 1186 C GLY A 82 -12.410 5.822 5.418 1.00 0.00 C ATOM 1187 O GLY A 82 -11.886 6.761 6.025 1.00 0.00 O ATOM 0 H GLY A 82 -13.416 4.721 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.487 6.890 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.478 6.318 5.244 1.00 0.00 H new ATOM 1191 N MET A 83 -11.926 4.572 5.422 1.00 0.00 N ATOM 1192 CA MET A 83 -10.750 4.188 6.151 1.00 0.00 C ATOM 1193 C MET A 83 -9.482 4.750 5.516 1.00 0.00 C ATOM 1194 O MET A 83 -9.507 5.192 4.363 1.00 0.00 O ATOM 1195 CB MET A 83 -10.685 2.664 6.268 1.00 0.00 C ATOM 1196 CG MET A 83 -10.968 1.869 4.996 1.00 0.00 C ATOM 1197 SD MET A 83 -11.205 0.111 5.330 1.00 0.00 S ATOM 1198 CE MET A 83 -11.415 -0.531 3.672 1.00 0.00 C ATOM 0 H MET A 83 -12.358 3.805 4.908 1.00 0.00 H new ATOM 0 HA MET A 83 -10.815 4.614 7.152 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.692 2.392 6.626 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.397 2.350 7.032 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.859 2.268 4.511 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.140 1.996 4.298 1.00 0.00 H new ATOM 0 HE1 MET A 83 -11.927 -1.492 3.716 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.007 0.169 3.083 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.438 -0.662 3.206 1.00 0.00 H new ATOM 1208 N HIS A 84 -8.382 4.727 6.266 1.00 0.00 N ATOM 1209 CA HIS A 84 -7.140 5.253 5.762 1.00 0.00 C ATOM 1210 C HIS A 84 -6.178 4.132 5.396 1.00 0.00 C ATOM 1211 O HIS A 84 -6.123 3.112 6.089 1.00 0.00 O ATOM 1212 CB HIS A 84 -6.491 6.201 6.774 1.00 0.00 C ATOM 1213 CG HIS A 84 -7.189 7.521 6.915 1.00 0.00 C ATOM 1214 ND1 HIS A 84 -6.705 8.693 6.370 1.00 0.00 N ATOM 1215 CD2 HIS A 84 -8.331 7.857 7.563 1.00 0.00 C ATOM 1216 CE1 HIS A 84 -7.517 9.689 6.679 1.00 0.00 C ATOM 1217 NE2 HIS A 84 -8.509 9.208 7.400 1.00 0.00 N ATOM 0 H HIS A 84 -8.337 4.352 7.213 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.367 5.819 4.859 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.463 5.712 7.748 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -5.457 6.379 6.477 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.980 7.186 8.106 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.389 10.722 6.390 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.285 9.752 7.777 1.00 0.00 H new ATOM 1226 N THR A 85 -5.420 4.327 4.310 1.00 0.00 N ATOM 1227 CA THR A 85 -4.470 3.352 3.853 1.00 0.00 C ATOM 1228 C THR A 85 -3.184 4.040 3.451 1.00 0.00 C ATOM 1229 O THR A 85 -3.194 4.993 2.665 1.00 0.00 O ATOM 1230 CB THR A 85 -5.009 2.564 2.649 1.00 0.00 C ATOM 1231 OG1 THR A 85 -6.207 3.168 2.141 1.00 0.00 O ATOM 1232 CG2 THR A 85 -5.284 1.118 3.026 1.00 0.00 C ATOM 0 H THR A 85 -5.461 5.169 3.736 1.00 0.00 H new ATOM 0 HA THR A 85 -4.288 2.656 4.672 1.00 0.00 H new ATOM 0 HB THR A 85 -4.245 2.584 1.871 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.069 3.433 1.208 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.665 0.581 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.361 0.649 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.024 1.085 3.826 1.00 0.00 H new ATOM 1240 N GLY A 86 -2.090 3.562 4.014 1.00 0.00 N ATOM 1241 CA GLY A 86 -0.792 4.107 3.704 1.00 0.00 C ATOM 1242 C GLY A 86 0.010 3.175 2.827 1.00 0.00 C ATOM 1243 O GLY A 86 -0.190 1.953 2.855 1.00 0.00 O ATOM 0 H GLY A 86 -2.080 2.797 4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.911 5.067 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.246 4.296 4.628 1.00 0.00 H new ATOM 1247 N TYR A 87 0.939 3.768 2.074 1.00 0.00 N ATOM 1248 CA TYR A 87 1.816 3.071 1.169 1.00 0.00 C ATOM 1249 C TYR A 87 3.192 3.708 1.383 1.00 0.00 C ATOM 1250 O TYR A 87 3.469 4.803 0.874 1.00 0.00 O ATOM 1251 CB TYR A 87 1.340 3.232 -0.307 1.00 0.00 C ATOM 1252 CG TYR A 87 -0.145 2.935 -0.585 1.00 0.00 C ATOM 1253 CD1 TYR A 87 -1.165 3.750 -0.077 1.00 0.00 C ATOM 1254 CD2 TYR A 87 -0.528 1.851 -1.382 1.00 0.00 C ATOM 1255 CE1 TYR A 87 -2.495 3.490 -0.344 1.00 0.00 C ATOM 1256 CE2 TYR A 87 -1.869 1.593 -1.651 1.00 0.00 C ATOM 1257 CZ TYR A 87 -2.839 2.415 -1.130 1.00 0.00 C ATOM 1258 OH TYR A 87 -4.165 2.158 -1.394 1.00 0.00 O ATOM 0 H TYR A 87 1.096 4.776 2.087 1.00 0.00 H new ATOM 0 HA TYR A 87 1.833 1.998 1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.549 4.254 -0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.943 2.575 -0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.906 4.600 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.230 1.203 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.264 4.130 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.146 0.750 -2.267 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.668 2.999 -1.393 1.00 0.00 H new ATOM 1268 N ALA A 88 4.034 3.053 2.183 1.00 0.00 N ATOM 1269 CA ALA A 88 5.353 3.605 2.494 1.00 0.00 C ATOM 1270 C ALA A 88 6.495 2.740 1.974 1.00 0.00 C ATOM 1271 O ALA A 88 6.286 1.605 1.536 1.00 0.00 O ATOM 1272 CB ALA A 88 5.478 3.865 3.995 1.00 0.00 C ATOM 0 H ALA A 88 3.831 2.154 2.621 1.00 0.00 H new ATOM 0 HA ALA A 88 5.439 4.556 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.464 4.276 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.712 4.576 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.347 2.929 4.539 1.00 0.00 H new ATOM 1278 N HIS A 89 7.722 3.301 2.055 1.00 0.00 N ATOM 1279 CA HIS A 89 8.965 2.660 1.577 1.00 0.00 C ATOM 1280 C HIS A 89 8.949 2.490 0.048 1.00 0.00 C ATOM 1281 O HIS A 89 9.412 1.487 -0.494 1.00 0.00 O ATOM 1282 CB HIS A 89 9.232 1.324 2.300 1.00 0.00 C ATOM 1283 CG HIS A 89 9.801 1.505 3.674 1.00 0.00 C ATOM 1284 ND1 HIS A 89 11.077 1.427 4.121 1.00 0.00 N flip ATOM 1285 CD2 HIS A 89 9.029 1.819 4.774 1.00 0.00 C flip ATOM 1286 CE1 HIS A 89 11.052 1.694 5.469 1.00 0.00 C flip ATOM 1287 NE2 HIS A 89 9.806 1.928 5.837 1.00 0.00 N flip ATOM 0 H HIS A 89 7.878 4.224 2.460 1.00 0.00 H new ATOM 0 HA HIS A 89 9.794 3.324 1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.300 0.763 2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.921 0.726 1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.958 1.954 4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 89 11.912 1.710 6.122 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.496 2.155 6.782 1.00 0.00 H new ATOM 1296 N LEU A 90 8.396 3.504 -0.625 1.00 0.00 N ATOM 1297 CA LEU A 90 8.315 3.562 -2.076 1.00 0.00 C ATOM 1298 C LEU A 90 9.458 4.419 -2.630 1.00 0.00 C ATOM 1299 O LEU A 90 10.173 5.069 -1.861 1.00 0.00 O ATOM 1300 CB LEU A 90 6.939 4.111 -2.504 1.00 0.00 C ATOM 1301 CG LEU A 90 5.719 3.554 -1.742 1.00 0.00 C ATOM 1302 CD1 LEU A 90 4.499 4.416 -1.999 1.00 0.00 C ATOM 1303 CD2 LEU A 90 5.443 2.111 -2.134 1.00 0.00 C ATOM 0 H LEU A 90 7.988 4.317 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 90 8.419 2.558 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.951 5.195 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.803 3.906 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 90 5.945 3.576 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.646 4.011 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.695 5.434 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.278 4.424 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.578 1.743 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.241 2.057 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.312 1.497 -1.898 1.00 0.00 H new ATOM 1315 N SER A 91 9.641 4.403 -3.954 1.00 0.00 N ATOM 1316 CA SER A 91 10.696 5.165 -4.592 1.00 0.00 C ATOM 1317 C SER A 91 10.149 6.408 -5.276 1.00 0.00 C ATOM 1318 O SER A 91 10.914 7.318 -5.610 1.00 0.00 O ATOM 1319 CB SER A 91 11.452 4.302 -5.607 1.00 0.00 C ATOM 1320 OG SER A 91 12.615 4.960 -6.082 1.00 0.00 O ATOM 0 H SER A 91 9.064 3.865 -4.600 1.00 0.00 H new ATOM 0 HA SER A 91 11.387 5.481 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.731 3.355 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.797 4.067 -6.446 1.00 0.00 H new ATOM 0 HG SER A 91 12.479 5.930 -6.047 1.00 0.00 H new ATOM 1326 N LYS A 92 8.820 6.454 -5.471 1.00 0.00 N ATOM 1327 CA LYS A 92 8.184 7.570 -6.144 1.00 0.00 C ATOM 1328 C LYS A 92 6.674 7.540 -6.002 1.00 0.00 C ATOM 1329 O LYS A 92 6.070 6.502 -5.720 1.00 0.00 O ATOM 1330 CB LYS A 92 8.544 7.588 -7.630 1.00 0.00 C ATOM 1331 CG LYS A 92 9.083 8.917 -8.087 1.00 0.00 C ATOM 1332 CD LYS A 92 9.620 8.822 -9.502 1.00 0.00 C ATOM 1333 CE LYS A 92 9.783 10.193 -10.136 1.00 0.00 C ATOM 1334 NZ LYS A 92 10.397 10.109 -11.489 1.00 0.00 N ATOM 0 H LYS A 92 8.176 5.724 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 92 8.558 8.474 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.285 6.814 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.659 7.340 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.295 9.669 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.875 9.244 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.582 8.309 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.944 8.219 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.809 10.678 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.403 10.819 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.491 11.065 -11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.337 9.670 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.793 9.533 -12.109 1.00 0.00 H new ATOM 1348 N ILE A 93 6.100 8.714 -6.211 1.00 0.00 N ATOM 1349 CA ILE A 93 4.673 8.934 -6.154 1.00 0.00 C ATOM 1350 C ILE A 93 4.166 9.549 -7.454 1.00 0.00 C ATOM 1351 O ILE A 93 4.882 10.290 -8.135 1.00 0.00 O ATOM 1352 CB ILE A 93 4.307 9.836 -4.938 1.00 0.00 C ATOM 1353 CG1 ILE A 93 3.826 9.003 -3.753 1.00 0.00 C ATOM 1354 CG2 ILE A 93 3.293 10.920 -5.260 1.00 0.00 C ATOM 1355 CD1 ILE A 93 4.948 8.554 -2.832 1.00 0.00 C ATOM 0 H ILE A 93 6.631 9.557 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 93 4.184 7.968 -6.025 1.00 0.00 H new ATOM 0 HB ILE A 93 5.233 10.345 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.106 9.585 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.300 8.125 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.090 11.506 -4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.692 11.572 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.369 10.461 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.533 7.967 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.657 7.944 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.460 9.428 -2.429 1.00 0.00 H new ATOM 1367 N SER A 94 2.928 9.212 -7.773 1.00 0.00 N ATOM 1368 CA SER A 94 2.245 9.714 -8.941 1.00 0.00 C ATOM 1369 C SER A 94 1.080 10.601 -8.528 1.00 0.00 C ATOM 1370 O SER A 94 0.412 11.213 -9.374 1.00 0.00 O ATOM 1371 CB SER A 94 1.691 8.555 -9.736 1.00 0.00 C ATOM 1372 OG SER A 94 1.511 8.895 -11.099 1.00 0.00 O ATOM 0 H SER A 94 2.364 8.571 -7.215 1.00 0.00 H new ATOM 0 HA SER A 94 2.955 10.287 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.368 7.704 -9.659 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.738 8.243 -9.309 1.00 0.00 H new ATOM 0 HG SER A 94 1.153 8.123 -11.584 1.00 0.00 H new ATOM 1378 N VAL A 95 0.845 10.663 -7.220 1.00 0.00 N ATOM 1379 CA VAL A 95 -0.238 11.393 -6.669 1.00 0.00 C ATOM 1380 C VAL A 95 0.212 12.689 -5.992 1.00 0.00 C ATOM 1381 O VAL A 95 1.389 13.058 -6.029 1.00 0.00 O ATOM 1382 CB VAL A 95 -1.059 10.530 -5.681 1.00 0.00 C ATOM 1383 CG1 VAL A 95 -2.215 9.852 -6.400 1.00 0.00 C ATOM 1384 CG2 VAL A 95 -0.200 9.494 -4.956 1.00 0.00 C ATOM 0 H VAL A 95 1.423 10.193 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.878 11.666 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.455 11.204 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.782 9.249 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.867 10.609 -6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.826 9.211 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.825 8.916 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.257 8.826 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.581 10.001 -4.389 1.00 0.00 H new ATOM 1394 N SER A 96 -0.756 13.364 -5.373 1.00 0.00 N ATOM 1395 CA SER A 96 -0.554 14.616 -4.687 1.00 0.00 C ATOM 1396 C SER A 96 -1.585 14.742 -3.586 1.00 0.00 C ATOM 1397 O SER A 96 -2.711 14.251 -3.710 1.00 0.00 O ATOM 1398 CB SER A 96 -0.655 15.813 -5.641 1.00 0.00 C ATOM 1399 OG SER A 96 -0.150 16.993 -5.039 1.00 0.00 O ATOM 0 H SER A 96 -1.722 13.038 -5.340 1.00 0.00 H new ATOM 0 HA SER A 96 0.452 14.621 -4.267 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.099 15.601 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.695 15.965 -5.929 1.00 0.00 H new ATOM 0 HG SER A 96 -0.225 17.740 -5.669 1.00 0.00 H new ATOM 1405 N THR A 97 -1.195 15.430 -2.530 1.00 0.00 N ATOM 1406 CA THR A 97 -2.039 15.640 -1.358 1.00 0.00 C ATOM 1407 C THR A 97 -3.333 16.386 -1.722 1.00 0.00 C ATOM 1408 O THR A 97 -3.285 17.431 -2.377 1.00 0.00 O ATOM 1409 CB THR A 97 -1.278 16.432 -0.270 1.00 0.00 C ATOM 1410 OG1 THR A 97 0.086 15.989 -0.201 1.00 0.00 O ATOM 1411 CG2 THR A 97 -1.924 16.268 1.105 1.00 0.00 C ATOM 0 H THR A 97 -0.275 15.865 -2.456 1.00 0.00 H new ATOM 0 HA THR A 97 -2.303 14.656 -0.971 1.00 0.00 H new ATOM 0 HB THR A 97 -1.318 17.485 -0.547 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.561 16.497 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.360 16.839 1.842 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.951 16.633 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.923 15.214 1.384 1.00 0.00 H new ATOM 1419 N ASP A 98 -4.480 15.805 -1.311 1.00 0.00 N ATOM 1420 CA ASP A 98 -5.834 16.365 -1.539 1.00 0.00 C ATOM 1421 C ASP A 98 -6.389 15.964 -2.911 1.00 0.00 C ATOM 1422 O ASP A 98 -7.541 16.277 -3.232 1.00 0.00 O ATOM 1423 CB ASP A 98 -5.886 17.900 -1.356 1.00 0.00 C ATOM 1424 CG ASP A 98 -7.222 18.377 -0.818 1.00 0.00 C ATOM 1425 OD1 ASP A 98 -7.326 18.589 0.408 1.00 0.00 O ATOM 1426 OD2 ASP A 98 -8.163 18.536 -1.622 1.00 0.00 O ATOM 0 H ASP A 98 -4.494 14.920 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.473 15.929 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.093 18.208 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.690 18.383 -2.313 1.00 0.00 H new ATOM 1431 N SER A 99 -5.574 15.255 -3.715 1.00 0.00 N ATOM 1432 CA SER A 99 -5.990 14.789 -5.023 1.00 0.00 C ATOM 1433 C SER A 99 -6.835 13.531 -4.894 1.00 0.00 C ATOM 1434 O SER A 99 -6.653 12.751 -3.958 1.00 0.00 O ATOM 1435 CB SER A 99 -4.774 14.485 -5.891 1.00 0.00 C ATOM 1436 OG SER A 99 -3.933 15.619 -6.013 1.00 0.00 O ATOM 0 H SER A 99 -4.619 14.998 -3.466 1.00 0.00 H new ATOM 0 HA SER A 99 -6.581 15.577 -5.490 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.212 13.658 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.101 14.164 -6.880 1.00 0.00 H new ATOM 0 HG SER A 99 -3.597 15.679 -6.931 1.00 0.00 H new ATOM 1442 N THR A 100 -7.771 13.352 -5.820 1.00 0.00 N ATOM 1443 CA THR A 100 -8.626 12.183 -5.830 1.00 0.00 C ATOM 1444 C THR A 100 -7.949 11.005 -6.505 1.00 0.00 C ATOM 1445 O THR A 100 -7.185 11.176 -7.460 1.00 0.00 O ATOM 1446 CB THR A 100 -9.966 12.441 -6.525 1.00 0.00 C ATOM 1447 OG1 THR A 100 -9.780 13.225 -7.710 1.00 0.00 O ATOM 1448 CG2 THR A 100 -10.925 13.138 -5.581 1.00 0.00 C ATOM 0 H THR A 100 -7.953 14.011 -6.577 1.00 0.00 H new ATOM 0 HA THR A 100 -8.816 11.949 -4.782 1.00 0.00 H new ATOM 0 HB THR A 100 -10.392 11.480 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.647 13.378 -8.141 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.873 13.314 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.094 12.511 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 100 -10.499 14.091 -5.267 1.00 0.00 H new ATOM 1456 N VAL A 101 -8.241 9.817 -5.997 1.00 0.00 N ATOM 1457 CA VAL A 101 -7.673 8.608 -6.516 1.00 0.00 C ATOM 1458 C VAL A 101 -8.736 7.592 -6.909 1.00 0.00 C ATOM 1459 O VAL A 101 -9.911 7.722 -6.552 1.00 0.00 O ATOM 1460 CB VAL A 101 -6.706 7.942 -5.520 1.00 0.00 C ATOM 1461 CG1 VAL A 101 -5.269 8.265 -5.877 1.00 0.00 C ATOM 1462 CG2 VAL A 101 -7.008 8.318 -4.072 1.00 0.00 C ATOM 0 H VAL A 101 -8.879 9.677 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.120 8.912 -7.405 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.854 6.865 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.600 7.786 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.052 7.897 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.120 9.344 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.297 7.822 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.923 9.398 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.020 8.003 -3.818 1.00 0.00 H new ATOM 1472 N LYS A 102 -8.282 6.565 -7.630 1.00 0.00 N ATOM 1473 CA LYS A 102 -9.102 5.497 -8.107 1.00 0.00 C ATOM 1474 C LYS A 102 -8.353 4.186 -8.006 1.00 0.00 C ATOM 1475 O LYS A 102 -7.131 4.130 -8.152 1.00 0.00 O ATOM 1476 CB LYS A 102 -9.525 5.773 -9.535 1.00 0.00 C ATOM 1477 CG LYS A 102 -10.734 4.974 -9.998 1.00 0.00 C ATOM 1478 CD LYS A 102 -10.942 5.091 -11.500 1.00 0.00 C ATOM 1479 CE LYS A 102 -12.182 4.337 -11.958 1.00 0.00 C ATOM 1480 NZ LYS A 102 -11.974 2.860 -11.960 1.00 0.00 N ATOM 0 H LYS A 102 -7.302 6.469 -7.895 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.999 5.425 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.746 6.835 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.687 5.557 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.603 3.926 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.625 5.327 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.034 6.142 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.067 4.701 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.018 4.584 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.455 4.665 -12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.844 2.387 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.194 2.620 -12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.739 2.541 -10.998 1.00 0.00 H new ATOM 1494 N GLN A 103 -9.122 3.139 -7.768 1.00 0.00 N ATOM 1495 CA GLN A 103 -8.618 1.786 -7.629 1.00 0.00 C ATOM 1496 C GLN A 103 -7.850 1.345 -8.879 1.00 0.00 C ATOM 1497 O GLN A 103 -8.264 1.603 -10.013 1.00 0.00 O ATOM 1498 CB GLN A 103 -9.786 0.838 -7.338 1.00 0.00 C ATOM 1499 CG GLN A 103 -9.398 -0.491 -6.685 1.00 0.00 C ATOM 1500 CD GLN A 103 -9.186 -1.594 -7.692 1.00 0.00 C ATOM 1501 OE1 GLN A 103 -8.855 -1.209 -8.906 1.00 0.00 O flip ATOM 1502 NE2 GLN A 103 -9.333 -2.777 -7.382 1.00 0.00 N flip ATOM 0 H GLN A 103 -10.134 3.207 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.916 1.756 -6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.496 1.350 -6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.304 0.627 -8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -8.485 -0.354 -6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -10.179 -0.789 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.590 -3.026 -6.427 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.197 -3.508 -8.080 1.00 0.00 H new ATOM 1511 N GLY A 104 -6.726 0.686 -8.625 1.00 0.00 N ATOM 1512 CA GLY A 104 -5.850 0.182 -9.670 1.00 0.00 C ATOM 1513 C GLY A 104 -4.988 1.248 -10.325 1.00 0.00 C ATOM 1514 O GLY A 104 -4.135 0.932 -11.155 1.00 0.00 O ATOM 0 H GLY A 104 -6.396 0.486 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.201 -0.585 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.457 -0.301 -10.436 1.00 0.00 H new ATOM 1518 N GLN A 105 -5.221 2.510 -9.951 1.00 0.00 N ATOM 1519 CA GLN A 105 -4.479 3.641 -10.486 1.00 0.00 C ATOM 1520 C GLN A 105 -3.088 3.673 -9.902 1.00 0.00 C ATOM 1521 O GLN A 105 -2.888 3.394 -8.720 1.00 0.00 O ATOM 1522 CB GLN A 105 -5.244 4.937 -10.191 1.00 0.00 C ATOM 1523 CG GLN A 105 -4.672 6.216 -10.790 1.00 0.00 C ATOM 1524 CD GLN A 105 -5.621 7.378 -10.598 1.00 0.00 C ATOM 1525 OE1 GLN A 105 -5.646 7.918 -9.386 1.00 0.00 O flip ATOM 1526 NE2 GLN A 105 -6.343 7.765 -11.517 1.00 0.00 N flip ATOM 0 H GLN A 105 -5.932 2.770 -9.267 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.380 3.540 -11.567 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -6.266 4.819 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.299 5.062 -9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.714 6.444 -10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.481 6.070 -11.853 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.287 7.318 -12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.997 8.533 -11.363 1.00 0.00 H new ATOM 1535 N ILE A 106 -2.135 3.992 -10.763 1.00 0.00 N ATOM 1536 CA ILE A 106 -0.752 4.057 -10.375 1.00 0.00 C ATOM 1537 C ILE A 106 -0.528 5.270 -9.481 1.00 0.00 C ATOM 1538 O ILE A 106 -0.457 6.414 -9.942 1.00 0.00 O ATOM 1539 CB ILE A 106 0.205 4.046 -11.588 1.00 0.00 C ATOM 1540 CG1 ILE A 106 0.076 2.709 -12.348 1.00 0.00 C ATOM 1541 CG2 ILE A 106 1.663 4.289 -11.162 1.00 0.00 C ATOM 1542 CD1 ILE A 106 0.550 2.751 -13.790 1.00 0.00 C ATOM 0 H ILE A 106 -2.306 4.211 -11.744 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.515 3.156 -9.808 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.080 4.863 -12.251 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.645 1.947 -11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.968 2.397 -12.332 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.306 4.274 -12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.742 5.259 -10.671 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.975 3.506 -10.471 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.422 1.768 -14.244 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.034 3.486 -14.344 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.604 3.029 -13.819 1.00 0.00 H new ATOM 1554 N ILE A 107 -0.459 4.975 -8.199 1.00 0.00 N ATOM 1555 CA ILE A 107 -0.270 5.964 -7.167 1.00 0.00 C ATOM 1556 C ILE A 107 1.210 6.157 -6.784 1.00 0.00 C ATOM 1557 O ILE A 107 1.530 7.027 -5.966 1.00 0.00 O ATOM 1558 CB ILE A 107 -1.086 5.596 -5.902 1.00 0.00 C ATOM 1559 CG1 ILE A 107 -1.069 4.080 -5.621 1.00 0.00 C ATOM 1560 CG2 ILE A 107 -2.521 6.091 -6.034 1.00 0.00 C ATOM 1561 CD1 ILE A 107 -0.870 3.733 -4.161 1.00 0.00 C ATOM 0 H ILE A 107 -0.535 4.022 -7.842 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.628 6.907 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.611 6.091 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.008 3.646 -5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.273 3.620 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -3.082 5.825 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.523 7.174 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.987 5.628 -6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.869 2.650 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.082 4.137 -3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.680 4.163 -3.571 1.00 0.00 H new ATOM 1573 N GLY A 108 2.097 5.347 -7.375 1.00 0.00 N ATOM 1574 CA GLY A 108 3.511 5.453 -7.118 1.00 0.00 C ATOM 1575 C GLY A 108 4.292 4.267 -7.644 1.00 0.00 C ATOM 1576 O GLY A 108 3.824 3.528 -8.513 1.00 0.00 O ATOM 0 H GLY A 108 1.844 4.612 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.892 6.366 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.675 5.543 -6.044 1.00 0.00 H new ATOM 1580 N TYR A 109 5.495 4.124 -7.108 1.00 0.00 N ATOM 1581 CA TYR A 109 6.430 3.068 -7.442 1.00 0.00 C ATOM 1582 C TYR A 109 7.131 2.629 -6.167 1.00 0.00 C ATOM 1583 O TYR A 109 7.544 3.472 -5.367 1.00 0.00 O ATOM 1584 CB TYR A 109 7.486 3.537 -8.462 1.00 0.00 C ATOM 1585 CG TYR A 109 6.927 4.163 -9.722 1.00 0.00 C ATOM 1586 CD1 TYR A 109 6.853 3.446 -10.909 1.00 0.00 C ATOM 1587 CD2 TYR A 109 6.481 5.477 -9.721 1.00 0.00 C ATOM 1588 CE1 TYR A 109 6.351 4.024 -12.060 1.00 0.00 C ATOM 1589 CE2 TYR A 109 5.975 6.062 -10.865 1.00 0.00 C ATOM 1590 CZ TYR A 109 5.912 5.332 -12.032 1.00 0.00 C ATOM 1591 OH TYR A 109 5.410 5.911 -13.174 1.00 0.00 O ATOM 0 H TYR A 109 5.857 4.766 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 109 5.875 2.245 -7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.142 4.259 -7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.103 2.683 -8.742 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.193 2.421 -10.933 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.531 6.053 -8.809 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.303 3.455 -12.977 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.631 7.085 -10.845 1.00 0.00 H new ATOM 0 HH TYR A 109 5.144 6.835 -12.983 1.00 0.00 H new ATOM 1601 N THR A 110 7.280 1.316 -5.998 1.00 0.00 N ATOM 1602 CA THR A 110 7.913 0.722 -4.821 1.00 0.00 C ATOM 1603 C THR A 110 9.364 1.179 -4.656 1.00 0.00 C ATOM 1604 O THR A 110 10.016 1.527 -5.647 1.00 0.00 O ATOM 1605 CB THR A 110 7.879 -0.812 -4.902 1.00 0.00 C ATOM 1606 OG1 THR A 110 8.105 -1.250 -6.247 1.00 0.00 O ATOM 1607 CG2 THR A 110 6.554 -1.362 -4.399 1.00 0.00 C ATOM 0 H THR A 110 6.962 0.628 -6.681 1.00 0.00 H new ATOM 0 HA THR A 110 7.344 1.061 -3.956 1.00 0.00 H new ATOM 0 HB THR A 110 8.675 -1.193 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.829 -1.910 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.561 -2.450 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.408 -1.066 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.741 -0.965 -5.007 1.00 0.00 H new ATOM 1615 N GLY A 111 9.865 1.191 -3.408 1.00 0.00 N ATOM 1616 CA GLY A 111 11.230 1.621 -3.184 1.00 0.00 C ATOM 1617 C GLY A 111 11.843 1.072 -1.927 1.00 0.00 C ATOM 1618 O GLY A 111 11.332 0.122 -1.328 1.00 0.00 O ATOM 0 H GLY A 111 9.352 0.914 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 111 11.840 1.319 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.255 2.710 -3.143 1.00 0.00 H new ATOM 1622 N ALA A 112 12.962 1.681 -1.546 1.00 0.00 N ATOM 1623 CA ALA A 112 13.686 1.323 -0.348 1.00 0.00 C ATOM 1624 C ALA A 112 14.393 2.571 0.199 1.00 0.00 C ATOM 1625 O ALA A 112 15.571 2.537 0.581 1.00 0.00 O ATOM 1626 CB ALA A 112 14.687 0.195 -0.620 1.00 0.00 C ATOM 0 H ALA A 112 13.389 2.444 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 112 12.984 0.951 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 112 15.216 -0.052 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.154 -0.685 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.404 0.519 -1.375 1.00 0.00 H new ATOM 1632 N THR A 113 13.640 3.678 0.228 1.00 0.00 N ATOM 1633 CA THR A 113 14.150 4.985 0.666 1.00 0.00 C ATOM 1634 C THR A 113 14.256 5.125 2.194 1.00 0.00 C ATOM 1635 O THR A 113 14.636 6.189 2.695 1.00 0.00 O ATOM 1636 CB THR A 113 13.259 6.120 0.120 1.00 0.00 C ATOM 1637 OG1 THR A 113 11.881 5.829 0.390 1.00 0.00 O ATOM 1638 CG2 THR A 113 13.459 6.305 -1.381 1.00 0.00 C ATOM 0 H THR A 113 12.659 3.693 -0.052 1.00 0.00 H new ATOM 0 HA THR A 113 15.160 5.059 0.263 1.00 0.00 H new ATOM 0 HB THR A 113 13.545 7.045 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 113 11.750 5.732 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 113 12.818 7.112 -1.737 1.00 0.00 H new ATOM 0 HG22 THR A 113 14.501 6.554 -1.581 1.00 0.00 H new ATOM 0 HG23 THR A 113 13.201 5.381 -1.899 1.00 0.00 H new ATOM 1646 N GLY A 114 13.936 4.052 2.922 1.00 0.00 N ATOM 1647 CA GLY A 114 14.014 4.079 4.375 1.00 0.00 C ATOM 1648 C GLY A 114 15.200 3.293 4.898 1.00 0.00 C ATOM 1649 O GLY A 114 16.100 2.936 4.129 1.00 0.00 O ATOM 0 H GLY A 114 13.624 3.164 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 114 14.087 5.112 4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.095 3.669 4.794 1.00 0.00 H new ATOM 1653 N GLN A 115 15.193 3.005 6.206 1.00 0.00 N ATOM 1654 CA GLN A 115 16.274 2.243 6.842 1.00 0.00 C ATOM 1655 C GLN A 115 15.984 0.742 6.748 1.00 0.00 C ATOM 1656 O GLN A 115 15.322 0.156 7.616 1.00 0.00 O ATOM 1657 CB GLN A 115 16.450 2.677 8.305 1.00 0.00 C ATOM 1658 CG GLN A 115 17.162 4.011 8.464 1.00 0.00 C ATOM 1659 CD GLN A 115 17.238 4.462 9.910 1.00 0.00 C ATOM 1660 OE1 GLN A 115 16.350 5.159 10.401 1.00 0.00 O ATOM 1661 NE2 GLN A 115 18.300 4.064 10.600 1.00 0.00 N ATOM 0 H GLN A 115 14.450 3.289 6.844 1.00 0.00 H new ATOM 0 HA GLN A 115 17.206 2.448 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.469 2.740 8.777 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.011 1.909 8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 115 18.171 3.931 8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 115 16.642 4.769 7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 115 19.012 3.487 10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 115 18.404 4.335 11.578 1.00 0.00 H new ATOM 1670 N VAL A 116 16.496 0.131 5.673 1.00 0.00 N ATOM 1671 CA VAL A 116 16.300 -1.295 5.397 1.00 0.00 C ATOM 1672 C VAL A 116 17.400 -1.811 4.446 1.00 0.00 C ATOM 1673 O VAL A 116 18.056 -1.019 3.760 1.00 0.00 O ATOM 1674 CB VAL A 116 14.860 -1.555 4.818 1.00 0.00 C ATOM 1675 CG1 VAL A 116 14.673 -0.961 3.419 1.00 0.00 C ATOM 1676 CG2 VAL A 116 14.498 -3.041 4.833 1.00 0.00 C ATOM 0 H VAL A 116 17.058 0.612 4.971 1.00 0.00 H new ATOM 0 HA VAL A 116 16.380 -1.851 6.331 1.00 0.00 H new ATOM 0 HB VAL A 116 14.170 -1.036 5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 116 13.663 -1.169 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.829 0.117 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 116 15.395 -1.407 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 116 13.496 -3.176 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 116 15.214 -3.596 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 116 14.525 -3.412 5.858 1.00 0.00 H new ATOM 1686 N THR A 117 17.574 -3.137 4.405 1.00 0.00 N ATOM 1687 CA THR A 117 18.586 -3.771 3.549 1.00 0.00 C ATOM 1688 C THR A 117 18.025 -4.131 2.168 1.00 0.00 C ATOM 1689 O THR A 117 18.792 -4.381 1.232 1.00 0.00 O ATOM 1690 CB THR A 117 19.157 -5.050 4.194 1.00 0.00 C ATOM 1691 OG1 THR A 117 18.091 -5.879 4.675 1.00 0.00 O ATOM 1692 CG2 THR A 117 20.106 -4.715 5.338 1.00 0.00 C ATOM 0 H THR A 117 17.025 -3.795 4.957 1.00 0.00 H new ATOM 0 HA THR A 117 19.382 -3.035 3.432 1.00 0.00 H new ATOM 0 HB THR A 117 19.718 -5.588 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.464 -6.689 5.081 1.00 0.00 H new ATOM 0 HG21 THR A 117 20.492 -5.637 5.772 1.00 0.00 H new ATOM 0 HG22 THR A 117 20.935 -4.117 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 117 19.571 -4.151 6.101 1.00 0.00 H new ATOM 1700 N GLY A 118 16.691 -4.148 2.050 1.00 0.00 N ATOM 1701 CA GLY A 118 16.047 -4.474 0.786 1.00 0.00 C ATOM 1702 C GLY A 118 14.759 -3.682 0.559 1.00 0.00 C ATOM 1703 O GLY A 118 14.175 -3.196 1.529 1.00 0.00 O ATOM 0 H GLY A 118 16.047 -3.940 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 118 16.740 -4.276 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 118 15.822 -5.540 0.762 1.00 0.00 H new ATOM 1707 N PRO A 119 14.270 -3.539 -0.715 1.00 0.00 N ATOM 1708 CA PRO A 119 13.028 -2.791 -1.022 1.00 0.00 C ATOM 1709 C PRO A 119 11.780 -3.565 -0.608 1.00 0.00 C ATOM 1710 O PRO A 119 11.788 -4.799 -0.636 1.00 0.00 O ATOM 1711 CB PRO A 119 13.070 -2.619 -2.555 1.00 0.00 C ATOM 1712 CG PRO A 119 14.409 -3.117 -2.993 1.00 0.00 C ATOM 1713 CD PRO A 119 14.860 -4.091 -1.952 1.00 0.00 C ATOM 0 HA PRO A 119 12.978 -1.846 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.269 -3.184 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 119 12.933 -1.574 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 119 14.344 -3.596 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 119 15.117 -2.294 -3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.500 -5.099 -2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 119 15.947 -4.146 -1.893 1.00 0.00 H new ATOM 1721 N HIS A 120 10.721 -2.851 -0.171 1.00 0.00 N ATOM 1722 CA HIS A 120 9.489 -3.496 0.239 1.00 0.00 C ATOM 1723 C HIS A 120 8.285 -2.552 0.170 1.00 0.00 C ATOM 1724 O HIS A 120 8.355 -1.456 -0.394 1.00 0.00 O ATOM 1725 CB HIS A 120 9.648 -4.145 1.643 1.00 0.00 C ATOM 1726 CG HIS A 120 9.876 -3.178 2.769 1.00 0.00 C ATOM 1727 ND1 HIS A 120 9.000 -2.564 3.597 1.00 0.00 N flip ATOM 1728 CD2 HIS A 120 11.130 -2.755 3.157 1.00 0.00 C flip ATOM 1729 CE1 HIS A 120 9.734 -1.790 4.462 1.00 0.00 C flip ATOM 1730 NE2 HIS A 120 11.015 -1.924 4.177 1.00 0.00 N flip ATOM 0 H HIS A 120 10.709 -1.834 -0.099 1.00 0.00 H new ATOM 0 HA HIS A 120 9.283 -4.294 -0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.753 -4.728 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 120 10.483 -4.844 1.610 1.00 0.00 H new ATOM 0 HD2 HIS A 120 12.060 -3.056 2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 120 9.328 -1.171 5.249 1.00 0.00 H new ATOM 0 HE2 HIS A 120 11.786 -1.464 4.662 1.00 0.00 H new ATOM 1739 N LEU A 121 7.187 -3.034 0.737 1.00 0.00 N ATOM 1740 CA LEU A 121 5.924 -2.359 0.757 1.00 0.00 C ATOM 1741 C LEU A 121 5.390 -2.237 2.173 1.00 0.00 C ATOM 1742 O LEU A 121 5.368 -3.205 2.934 1.00 0.00 O ATOM 1743 CB LEU A 121 4.924 -3.108 -0.152 1.00 0.00 C ATOM 1744 CG LEU A 121 3.416 -2.896 0.101 1.00 0.00 C ATOM 1745 CD1 LEU A 121 2.969 -1.501 -0.328 1.00 0.00 C ATOM 1746 CD2 LEU A 121 2.607 -3.958 -0.630 1.00 0.00 C ATOM 0 H LEU A 121 7.165 -3.938 1.208 1.00 0.00 H new ATOM 0 HA LEU A 121 6.059 -1.347 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.133 -2.824 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.130 -4.175 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 121 3.239 -2.987 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.902 -1.386 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.523 -0.752 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.162 -1.368 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.545 -3.798 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.802 -3.891 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.894 -4.946 -0.270 1.00 0.00 H new ATOM 1758 N HIS A 122 4.972 -1.033 2.496 1.00 0.00 N ATOM 1759 CA HIS A 122 4.391 -0.731 3.776 1.00 0.00 C ATOM 1760 C HIS A 122 2.923 -0.354 3.582 1.00 0.00 C ATOM 1761 O HIS A 122 2.608 0.728 3.079 1.00 0.00 O ATOM 1762 CB HIS A 122 5.173 0.386 4.510 1.00 0.00 C ATOM 1763 CG HIS A 122 4.458 0.949 5.719 1.00 0.00 C ATOM 1764 ND1 HIS A 122 4.760 0.531 6.994 1.00 0.00 N ATOM 1765 CD2 HIS A 122 3.411 1.816 5.778 1.00 0.00 C ATOM 1766 CE1 HIS A 122 3.883 1.135 7.789 1.00 0.00 C ATOM 1767 NE2 HIS A 122 3.055 1.921 7.094 1.00 0.00 N ATOM 0 H HIS A 122 5.029 -0.231 1.868 1.00 0.00 H new ATOM 0 HA HIS A 122 4.451 -1.616 4.410 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.140 -0.008 4.824 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.372 1.196 3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 122 2.949 2.324 4.944 1.00 0.00 H new ATOM 0 HE1 HIS A 122 3.844 1.007 8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 122 2.300 2.492 7.474 1.00 0.00 H new ATOM 1775 N PHE A 123 2.048 -1.237 4.037 1.00 0.00 N ATOM 1776 CA PHE A 123 0.617 -1.040 3.921 1.00 0.00 C ATOM 1777 C PHE A 123 -0.023 -0.946 5.311 1.00 0.00 C ATOM 1778 O PHE A 123 -0.099 -1.936 6.047 1.00 0.00 O ATOM 1779 CB PHE A 123 0.014 -2.206 3.125 1.00 0.00 C ATOM 1780 CG PHE A 123 -1.345 -1.944 2.533 1.00 0.00 C ATOM 1781 CD1 PHE A 123 -1.472 -1.346 1.290 1.00 0.00 C ATOM 1782 CD2 PHE A 123 -2.493 -2.309 3.218 1.00 0.00 C ATOM 1783 CE1 PHE A 123 -2.719 -1.116 0.742 1.00 0.00 C ATOM 1784 CE2 PHE A 123 -3.742 -2.081 2.675 1.00 0.00 C ATOM 1785 CZ PHE A 123 -3.854 -1.484 1.435 1.00 0.00 C ATOM 0 H PHE A 123 2.312 -2.109 4.496 1.00 0.00 H new ATOM 0 HA PHE A 123 0.418 -0.105 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 123 0.699 -2.467 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -0.054 -3.075 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -0.587 -1.056 0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -2.410 -2.777 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -2.805 -0.649 -0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -4.629 -2.369 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 123 -4.830 -1.305 1.008 1.00 0.00 H new ATOM 1795 N GLU A 124 -0.462 0.259 5.659 1.00 0.00 N ATOM 1796 CA GLU A 124 -1.101 0.526 6.921 1.00 0.00 C ATOM 1797 C GLU A 124 -2.540 0.963 6.672 1.00 0.00 C ATOM 1798 O GLU A 124 -2.806 1.889 5.914 1.00 0.00 O ATOM 1799 CB GLU A 124 -0.315 1.605 7.686 1.00 0.00 C ATOM 1800 CG GLU A 124 -0.485 1.554 9.197 1.00 0.00 C ATOM 1801 CD GLU A 124 0.308 2.633 9.905 1.00 0.00 C ATOM 1802 OE1 GLU A 124 1.551 2.524 9.947 1.00 0.00 O ATOM 1803 OE2 GLU A 124 -0.314 3.590 10.415 1.00 0.00 O ATOM 0 H GLU A 124 -0.378 1.080 5.059 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.113 -0.377 7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.744 1.503 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -0.629 2.586 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.541 1.662 9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.170 0.577 9.562 1.00 0.00 H new ATOM 1810 N MET A 125 -3.443 0.281 7.340 1.00 0.00 N ATOM 1811 CA MET A 125 -4.854 0.521 7.250 1.00 0.00 C ATOM 1812 C MET A 125 -5.366 0.919 8.617 1.00 0.00 C ATOM 1813 O MET A 125 -5.047 0.301 9.638 1.00 0.00 O ATOM 1814 CB MET A 125 -5.531 -0.724 6.670 1.00 0.00 C ATOM 1815 CG MET A 125 -6.938 -1.061 7.167 1.00 0.00 C ATOM 1816 SD MET A 125 -7.862 -2.067 5.989 1.00 0.00 S ATOM 1817 CE MET A 125 -9.024 -2.888 7.077 1.00 0.00 C ATOM 0 H MET A 125 -3.202 -0.477 7.978 1.00 0.00 H new ATOM 0 HA MET A 125 -5.088 1.345 6.575 1.00 0.00 H new ATOM 0 HB2 MET A 125 -5.576 -0.608 5.587 1.00 0.00 H new ATOM 0 HB3 MET A 125 -4.889 -1.581 6.873 1.00 0.00 H new ATOM 0 HG2 MET A 125 -6.867 -1.592 8.117 1.00 0.00 H new ATOM 0 HG3 MET A 125 -7.484 -0.137 7.358 1.00 0.00 H new ATOM 0 HE1 MET A 125 -9.666 -3.547 6.493 1.00 0.00 H new ATOM 0 HE2 MET A 125 -8.478 -3.475 7.816 1.00 0.00 H new ATOM 0 HE3 MET A 125 -9.635 -2.143 7.585 1.00 0.00 H new ATOM 1827 N LEU A 126 -6.172 1.951 8.588 1.00 0.00 N ATOM 1828 CA LEU A 126 -6.741 2.554 9.773 1.00 0.00 C ATOM 1829 C LEU A 126 -8.191 3.004 9.521 1.00 0.00 C ATOM 1830 O LEU A 126 -8.624 3.041 8.370 1.00 0.00 O ATOM 1831 CB LEU A 126 -5.908 3.796 10.155 1.00 0.00 C ATOM 1832 CG LEU A 126 -4.744 3.563 11.114 1.00 0.00 C ATOM 1833 CD1 LEU A 126 -3.470 3.245 10.349 1.00 0.00 C ATOM 1834 CD2 LEU A 126 -4.555 4.781 11.997 1.00 0.00 C ATOM 0 H LEU A 126 -6.459 2.407 7.722 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.731 1.814 10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.514 4.238 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.577 4.532 10.602 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.974 2.705 11.745 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.654 3.083 11.053 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.619 2.345 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.222 4.079 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.723 4.610 12.680 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.342 5.651 11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.464 4.959 12.571 1.00 0.00 H new ATOM 1846 N PRO A 127 -8.977 3.339 10.594 1.00 0.00 N ATOM 1847 CA PRO A 127 -10.354 3.846 10.454 1.00 0.00 C ATOM 1848 C PRO A 127 -10.421 5.175 9.728 1.00 0.00 C ATOM 1849 O PRO A 127 -9.396 5.727 9.319 1.00 0.00 O ATOM 1850 CB PRO A 127 -10.812 4.100 11.894 1.00 0.00 C ATOM 1851 CG PRO A 127 -9.576 4.104 12.716 1.00 0.00 C ATOM 1852 CD PRO A 127 -8.622 3.196 12.018 1.00 0.00 C ATOM 0 HA PRO A 127 -10.956 3.135 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -11.339 5.051 11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -11.501 3.324 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -9.166 5.111 12.802 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -9.778 3.755 13.729 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -7.587 3.484 12.203 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -8.731 2.165 12.356 1.00 0.00 H new ATOM 1860 N ALA A 128 -11.643 5.691 9.605 1.00 0.00 N ATOM 1861 CA ALA A 128 -11.865 6.984 9.010 1.00 0.00 C ATOM 1862 C ALA A 128 -11.393 8.070 9.977 1.00 0.00 C ATOM 1863 O ALA A 128 -10.989 9.163 9.570 1.00 0.00 O ATOM 1864 CB ALA A 128 -13.334 7.173 8.683 1.00 0.00 C ATOM 0 H ALA A 128 -12.493 5.220 9.916 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.299 7.054 8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.483 8.155 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.653 6.402 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.923 7.098 9.597 1.00 0.00 H new ATOM 1870 N ASN A 129 -11.436 7.711 11.274 1.00 0.00 N ATOM 1871 CA ASN A 129 -11.033 8.586 12.371 1.00 0.00 C ATOM 1872 C ASN A 129 -10.675 7.750 13.568 1.00 0.00 C ATOM 1873 O ASN A 129 -11.544 7.294 14.324 1.00 0.00 O ATOM 1874 CB ASN A 129 -12.094 9.647 12.708 1.00 0.00 C ATOM 1875 CG ASN A 129 -11.713 11.027 12.207 1.00 0.00 C ATOM 1876 OD1 ASN A 129 -11.115 11.821 12.933 1.00 0.00 O ATOM 1877 ND2 ASN A 129 -12.057 11.318 10.959 1.00 0.00 N ATOM 0 H ASN A 129 -11.756 6.794 11.584 1.00 0.00 H new ATOM 0 HA ASN A 129 -10.155 9.148 12.052 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -13.048 9.355 12.269 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -12.238 9.683 13.788 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -11.826 12.231 10.566 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -12.552 10.629 10.393 1.00 0.00 H new ATOM 1884 N PRO A 130 -9.357 7.534 13.744 1.00 0.00 N ATOM 1885 CA PRO A 130 -8.833 6.708 14.807 1.00 0.00 C ATOM 1886 C PRO A 130 -8.930 7.270 16.212 1.00 0.00 C ATOM 1887 O PRO A 130 -9.147 8.466 16.431 1.00 0.00 O ATOM 1888 CB PRO A 130 -7.358 6.496 14.476 1.00 0.00 C ATOM 1889 CG PRO A 130 -7.168 7.071 13.108 1.00 0.00 C ATOM 1890 CD PRO A 130 -8.278 8.042 12.881 1.00 0.00 C ATOM 0 HA PRO A 130 -9.440 5.803 14.836 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -6.717 6.994 15.203 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.100 5.437 14.496 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -6.201 7.567 13.030 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.185 6.284 12.354 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -7.987 9.056 13.156 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -8.580 8.070 11.834 1.00 0.00 H new ATOM 1898 N ASN A 131 -8.764 6.343 17.143 1.00 0.00 N ATOM 1899 CA ASN A 131 -8.760 6.599 18.545 1.00 0.00 C ATOM 1900 C ASN A 131 -7.383 6.236 19.064 1.00 0.00 C ATOM 1901 O ASN A 131 -7.199 5.250 19.792 1.00 0.00 O ATOM 1902 CB ASN A 131 -9.835 5.777 19.210 1.00 0.00 C ATOM 1903 CG ASN A 131 -10.576 6.536 20.274 1.00 0.00 C ATOM 1904 OD1 ASN A 131 -10.180 6.564 21.439 1.00 0.00 O ATOM 1905 ND2 ASN A 131 -11.670 7.156 19.867 1.00 0.00 N ATOM 0 H ASN A 131 -8.624 5.358 16.917 1.00 0.00 H new ATOM 0 HA ASN A 131 -8.969 7.646 18.763 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -10.543 5.435 18.455 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -9.385 4.888 19.652 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -12.230 7.690 20.531 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -11.954 7.100 18.889 1.00 0.00 H new ATOM 1912 N TRP A 132 -6.411 7.072 18.681 1.00 0.00 N ATOM 1913 CA TRP A 132 -4.997 6.898 19.047 1.00 0.00 C ATOM 1914 C TRP A 132 -4.769 6.987 20.566 1.00 0.00 C ATOM 1915 O TRP A 132 -3.632 7.095 21.043 1.00 0.00 O ATOM 1916 CB TRP A 132 -4.117 7.956 18.358 1.00 0.00 C ATOM 1917 CG TRP A 132 -4.463 8.217 16.923 1.00 0.00 C ATOM 1918 CD1 TRP A 132 -4.153 7.431 15.858 1.00 0.00 C ATOM 1919 CD2 TRP A 132 -5.192 9.336 16.401 1.00 0.00 C ATOM 1920 NE1 TRP A 132 -4.625 7.997 14.703 1.00 0.00 N ATOM 1921 CE2 TRP A 132 -5.268 9.159 15.011 1.00 0.00 C ATOM 1922 CE3 TRP A 132 -5.786 10.469 16.969 1.00 0.00 C ATOM 1923 CZ2 TRP A 132 -5.907 10.062 14.179 1.00 0.00 C ATOM 1924 CZ3 TRP A 132 -6.426 11.370 16.138 1.00 0.00 C ATOM 1925 CH2 TRP A 132 -6.482 11.162 14.754 1.00 0.00 C ATOM 0 H TRP A 132 -6.583 7.895 18.104 1.00 0.00 H new ATOM 0 HA TRP A 132 -4.718 5.899 18.711 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -4.195 8.891 18.913 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -3.076 7.637 18.415 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -3.614 6.497 15.914 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -4.513 7.612 13.765 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.745 10.636 18.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -5.950 9.903 13.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -6.890 12.248 16.563 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -6.988 11.883 14.130 1.00 0.00 H new ATOM 1936 N GLN A 133 -5.871 6.918 21.305 1.00 0.00 N ATOM 1937 CA GLN A 133 -5.890 7.020 22.742 1.00 0.00 C ATOM 1938 C GLN A 133 -5.543 5.701 23.443 1.00 0.00 C ATOM 1939 O GLN A 133 -6.082 5.361 24.505 1.00 0.00 O ATOM 1940 CB GLN A 133 -7.262 7.512 23.158 1.00 0.00 C ATOM 1941 CG GLN A 133 -7.571 8.953 22.738 1.00 0.00 C ATOM 1942 CD GLN A 133 -8.090 9.053 21.306 1.00 0.00 C ATOM 1943 OE1 GLN A 133 -7.176 8.983 20.338 1.00 0.00 O flip ATOM 1944 NE2 GLN A 133 -9.294 9.160 21.075 1.00 0.00 N flip ATOM 0 H GLN A 133 -6.798 6.786 20.900 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.117 7.724 23.051 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -8.017 6.852 22.730 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.349 7.436 24.242 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.311 9.374 23.418 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.669 9.557 22.836 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -9.959 9.210 21.847 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.627 9.198 20.112 1.00 0.00 H new ATOM 1953 N ASN A 134 -4.631 4.972 22.804 1.00 0.00 N ATOM 1954 CA ASN A 134 -4.095 3.684 23.262 1.00 0.00 C ATOM 1955 C ASN A 134 -5.121 2.586 23.091 1.00 0.00 C ATOM 1956 O ASN A 134 -6.255 2.703 23.567 1.00 0.00 O ATOM 1957 CB ASN A 134 -3.593 3.753 24.713 1.00 0.00 C ATOM 1958 CG ASN A 134 -2.330 4.579 24.826 1.00 0.00 C ATOM 1959 OD1 ASN A 134 -1.230 4.044 24.949 1.00 0.00 O ATOM 1960 ND2 ASN A 134 -2.486 5.894 24.761 1.00 0.00 N ATOM 0 H ASN A 134 -4.226 5.271 21.917 1.00 0.00 H new ATOM 0 HA ASN A 134 -3.233 3.448 22.638 1.00 0.00 H new ATOM 0 HB2 ASN A 134 -4.368 4.184 25.347 1.00 0.00 H new ATOM 0 HB3 ASN A 134 -3.403 2.745 25.082 1.00 0.00 H new ATOM 0 HD21 ASN A 134 -1.673 6.507 24.813 1.00 0.00 H new ATOM 0 HD22 ASN A 134 -3.419 6.292 24.659 1.00 0.00 H new ATOM 1967 N GLY A 135 -4.712 1.526 22.405 1.00 0.00 N ATOM 1968 CA GLY A 135 -5.606 0.418 22.173 1.00 0.00 C ATOM 1969 C GLY A 135 -5.337 -0.313 20.873 1.00 0.00 C ATOM 1970 O GLY A 135 -5.249 -1.545 20.869 1.00 0.00 O ATOM 0 H GLY A 135 -3.779 1.418 22.008 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.522 -0.286 23.001 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -6.633 0.784 22.169 1.00 0.00 H new ATOM 1974 N PHE A 136 -5.234 0.433 19.762 1.00 0.00 N ATOM 1975 CA PHE A 136 -4.958 -0.164 18.443 1.00 0.00 C ATOM 1976 C PHE A 136 -4.243 0.819 17.526 1.00 0.00 C ATOM 1977 O PHE A 136 -3.613 0.425 16.544 1.00 0.00 O ATOM 1978 CB PHE A 136 -6.264 -0.690 17.780 1.00 0.00 C ATOM 1979 CG PHE A 136 -7.338 0.339 17.429 1.00 0.00 C ATOM 1980 CD1 PHE A 136 -7.566 1.479 18.203 1.00 0.00 C ATOM 1981 CD2 PHE A 136 -8.137 0.138 16.313 1.00 0.00 C ATOM 1982 CE1 PHE A 136 -8.556 2.377 17.865 1.00 0.00 C ATOM 1983 CE2 PHE A 136 -9.128 1.040 15.972 1.00 0.00 C ATOM 1984 CZ PHE A 136 -9.337 2.160 16.750 1.00 0.00 C ATOM 0 H PHE A 136 -5.337 1.448 19.749 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.294 -1.014 18.602 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -5.989 -1.216 16.865 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -6.709 -1.426 18.450 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.959 1.659 19.078 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -7.982 -0.738 15.700 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.720 3.253 18.475 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -9.738 0.868 15.097 1.00 0.00 H new ATOM 0 HZ PHE A 136 -10.111 2.865 16.486 1.00 0.00 H new ATOM 1994 N SER A 137 -4.355 2.108 17.872 1.00 0.00 N ATOM 1995 CA SER A 137 -3.776 3.235 17.127 1.00 0.00 C ATOM 1996 C SER A 137 -4.473 3.331 15.788 1.00 0.00 C ATOM 1997 O SER A 137 -4.005 3.973 14.842 1.00 0.00 O ATOM 1998 CB SER A 137 -2.243 3.123 16.979 1.00 0.00 C ATOM 1999 OG SER A 137 -1.701 4.278 16.355 1.00 0.00 O ATOM 0 H SER A 137 -4.866 2.405 18.703 1.00 0.00 H new ATOM 0 HA SER A 137 -3.940 4.154 17.689 1.00 0.00 H new ATOM 0 HB2 SER A 137 -1.789 2.990 17.961 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.995 2.239 16.391 1.00 0.00 H new ATOM 0 HG SER A 137 -2.302 4.577 15.641 1.00 0.00 H new ATOM 2005 N GLY A 138 -5.638 2.677 15.766 1.00 0.00 N ATOM 2006 CA GLY A 138 -6.479 2.630 14.603 1.00 0.00 C ATOM 2007 C GLY A 138 -5.985 1.649 13.561 1.00 0.00 C ATOM 2008 O GLY A 138 -6.697 1.345 12.604 1.00 0.00 O ATOM 0 H GLY A 138 -6.011 2.168 16.567 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.491 2.356 14.903 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.536 3.625 14.161 1.00 0.00 H new ATOM 2012 N ARG A 139 -4.759 1.144 13.736 1.00 0.00 N ATOM 2013 CA ARG A 139 -4.208 0.205 12.762 1.00 0.00 C ATOM 2014 C ARG A 139 -4.711 -1.219 12.988 1.00 0.00 C ATOM 2015 O ARG A 139 -4.626 -1.753 14.096 1.00 0.00 O ATOM 2016 CB ARG A 139 -2.668 0.241 12.696 1.00 0.00 C ATOM 2017 CG ARG A 139 -1.930 0.286 14.036 1.00 0.00 C ATOM 2018 CD ARG A 139 -1.749 -1.088 14.667 1.00 0.00 C ATOM 2019 NE ARG A 139 -0.640 -1.093 15.628 1.00 0.00 N ATOM 2020 CZ ARG A 139 -0.742 -1.445 16.918 1.00 0.00 C ATOM 2021 NH1 ARG A 139 -1.904 -1.836 17.439 1.00 0.00 N ATOM 2022 NH2 ARG A 139 0.332 -1.395 17.694 1.00 0.00 N ATOM 0 H ARG A 139 -4.146 1.364 14.521 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.575 0.540 11.792 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -2.329 -0.639 12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -2.371 1.113 12.113 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -0.951 0.743 13.889 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -2.481 0.926 14.726 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -2.670 -1.383 15.170 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -1.561 -1.826 13.888 1.00 0.00 H new ATOM 0 HE ARG A 139 0.278 -0.807 15.289 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -2.739 -1.872 16.854 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -1.959 -2.099 18.423 1.00 0.00 H new ATOM 0 HH21 ARG A 139 1.226 -1.091 17.309 1.00 0.00 H new ATOM 0 HH22 ARG A 139 0.264 -1.661 18.676 1.00 0.00 H new ATOM 2036 N ILE A 140 -5.248 -1.809 11.918 1.00 0.00 N ATOM 2037 CA ILE A 140 -5.772 -3.171 11.972 1.00 0.00 C ATOM 2038 C ILE A 140 -5.172 -4.061 10.880 1.00 0.00 C ATOM 2039 O ILE A 140 -4.295 -3.632 10.123 1.00 0.00 O ATOM 2040 CB ILE A 140 -7.322 -3.243 11.894 1.00 0.00 C ATOM 2041 CG1 ILE A 140 -7.991 -1.863 11.946 1.00 0.00 C ATOM 2042 CG2 ILE A 140 -7.860 -4.129 13.009 1.00 0.00 C ATOM 2043 CD1 ILE A 140 -8.115 -1.196 10.592 1.00 0.00 C ATOM 0 H ILE A 140 -5.330 -1.363 11.004 1.00 0.00 H new ATOM 0 HA ILE A 140 -5.470 -3.544 12.951 1.00 0.00 H new ATOM 0 HB ILE A 140 -7.569 -3.675 10.924 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -8.984 -1.967 12.383 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.417 -1.216 12.609 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -8.947 -4.173 12.946 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -7.449 -5.133 12.906 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -7.569 -3.716 13.975 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -8.597 -0.225 10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -7.123 -1.060 10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -8.714 -1.822 9.931 1.00 0.00 H new ATOM 2055 N ASP A 141 -5.692 -5.299 10.788 1.00 0.00 N ATOM 2056 CA ASP A 141 -5.221 -6.304 9.834 1.00 0.00 C ATOM 2057 C ASP A 141 -5.595 -5.960 8.376 1.00 0.00 C ATOM 2058 O ASP A 141 -6.729 -5.548 8.117 1.00 0.00 O ATOM 2059 CB ASP A 141 -5.797 -7.676 10.187 1.00 0.00 C ATOM 2060 CG ASP A 141 -5.164 -8.271 11.430 1.00 0.00 C ATOM 2061 OD1 ASP A 141 -4.391 -9.241 11.295 1.00 0.00 O ATOM 2062 OD2 ASP A 141 -5.439 -7.763 12.537 1.00 0.00 O ATOM 0 H ASP A 141 -6.455 -5.626 11.380 1.00 0.00 H new ATOM 0 HA ASP A 141 -4.133 -6.318 9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -6.873 -7.586 10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -5.649 -8.355 9.347 1.00 0.00 H new ATOM 2067 N PRO A 142 -4.633 -6.097 7.412 1.00 0.00 N ATOM 2068 CA PRO A 142 -4.876 -5.815 5.981 1.00 0.00 C ATOM 2069 C PRO A 142 -5.669 -6.925 5.243 1.00 0.00 C ATOM 2070 O PRO A 142 -5.624 -7.022 4.009 1.00 0.00 O ATOM 2071 CB PRO A 142 -3.462 -5.677 5.420 1.00 0.00 C ATOM 2072 CG PRO A 142 -2.634 -6.569 6.263 1.00 0.00 C ATOM 2073 CD PRO A 142 -3.231 -6.525 7.640 1.00 0.00 C ATOM 0 HA PRO A 142 -5.502 -4.933 5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -3.421 -5.973 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -3.114 -4.646 5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -2.636 -7.586 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.596 -6.236 6.279 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -3.186 -7.500 8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -2.699 -5.823 8.283 1.00 0.00 H new ATOM 2081 N THR A 143 -6.410 -7.742 6.011 1.00 0.00 N ATOM 2082 CA THR A 143 -7.218 -8.850 5.495 1.00 0.00 C ATOM 2083 C THR A 143 -8.233 -8.417 4.437 1.00 0.00 C ATOM 2084 O THR A 143 -8.656 -9.227 3.606 1.00 0.00 O ATOM 2085 CB THR A 143 -7.939 -9.569 6.645 1.00 0.00 C ATOM 2086 OG1 THR A 143 -8.379 -8.625 7.632 1.00 0.00 O ATOM 2087 CG2 THR A 143 -7.029 -10.605 7.290 1.00 0.00 C ATOM 0 H THR A 143 -6.462 -7.646 7.025 1.00 0.00 H new ATOM 0 HA THR A 143 -6.523 -9.533 5.007 1.00 0.00 H new ATOM 0 HB THR A 143 -8.809 -10.078 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 143 -8.838 -9.099 8.357 1.00 0.00 H new ATOM 0 HG21 THR A 143 -7.561 -11.101 8.102 1.00 0.00 H new ATOM 0 HG22 THR A 143 -6.733 -11.344 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 143 -6.141 -10.113 7.686 1.00 0.00 H new ATOM 2095 N GLY A 144 -8.616 -7.141 4.485 1.00 0.00 N ATOM 2096 CA GLY A 144 -9.546 -6.583 3.504 1.00 0.00 C ATOM 2097 C GLY A 144 -8.860 -6.417 2.157 1.00 0.00 C ATOM 2098 O GLY A 144 -9.505 -6.421 1.108 1.00 0.00 O ATOM 0 H GLY A 144 -8.298 -6.476 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.411 -7.238 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.916 -5.619 3.852 1.00 0.00 H new ATOM 2102 N TYR A 145 -7.528 -6.312 2.231 1.00 0.00 N ATOM 2103 CA TYR A 145 -6.646 -6.167 1.086 1.00 0.00 C ATOM 2104 C TYR A 145 -6.077 -7.541 0.666 1.00 0.00 C ATOM 2105 O TYR A 145 -5.456 -7.670 -0.394 1.00 0.00 O ATOM 2106 CB TYR A 145 -5.539 -5.152 1.458 1.00 0.00 C ATOM 2107 CG TYR A 145 -4.203 -5.305 0.751 1.00 0.00 C ATOM 2108 CD1 TYR A 145 -3.140 -5.915 1.396 1.00 0.00 C ATOM 2109 CD2 TYR A 145 -4.006 -4.840 -0.541 1.00 0.00 C ATOM 2110 CE1 TYR A 145 -1.914 -6.058 0.776 1.00 0.00 C ATOM 2111 CE2 TYR A 145 -2.785 -4.980 -1.172 1.00 0.00 C ATOM 2112 CZ TYR A 145 -1.741 -5.589 -0.508 1.00 0.00 C ATOM 2113 OH TYR A 145 -0.522 -5.729 -1.130 1.00 0.00 O ATOM 0 H TYR A 145 -7.027 -6.327 3.120 1.00 0.00 H new ATOM 0 HA TYR A 145 -7.190 -5.787 0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -5.916 -4.149 1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -5.364 -5.218 2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -3.272 -6.286 2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -4.821 -4.360 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -1.096 -6.535 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -2.649 -4.615 -2.179 1.00 0.00 H new ATOM 0 HH TYR A 145 -0.569 -5.347 -2.031 1.00 0.00 H new ATOM 2123 N ILE A 146 -6.310 -8.554 1.510 1.00 0.00 N ATOM 2124 CA ILE A 146 -5.847 -9.914 1.251 1.00 0.00 C ATOM 2125 C ILE A 146 -7.014 -10.815 0.810 1.00 0.00 C ATOM 2126 O ILE A 146 -6.800 -11.925 0.313 1.00 0.00 O ATOM 2127 CB ILE A 146 -5.141 -10.547 2.504 1.00 0.00 C ATOM 2128 CG1 ILE A 146 -4.121 -9.572 3.161 1.00 0.00 C ATOM 2129 CG2 ILE A 146 -4.461 -11.883 2.163 1.00 0.00 C ATOM 2130 CD1 ILE A 146 -2.939 -9.155 2.286 1.00 0.00 C ATOM 0 H ILE A 146 -6.822 -8.450 2.386 1.00 0.00 H new ATOM 0 HA ILE A 146 -5.115 -9.848 0.446 1.00 0.00 H new ATOM 0 HB ILE A 146 -5.930 -10.742 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -4.654 -8.673 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -3.732 -10.039 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -3.985 -12.287 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -5.208 -12.589 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -3.708 -11.721 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -2.294 -8.476 2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -2.371 -10.039 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -3.308 -8.652 1.392 1.00 0.00 H new ATOM 2142 N ALA A 147 -8.241 -10.316 0.983 1.00 0.00 N ATOM 2143 CA ALA A 147 -9.459 -11.042 0.618 1.00 0.00 C ATOM 2144 C ALA A 147 -9.734 -10.992 -0.879 1.00 0.00 C ATOM 2145 O ALA A 147 -10.365 -11.890 -1.443 1.00 0.00 O ATOM 2146 CB ALA A 147 -10.641 -10.472 1.365 1.00 0.00 C ATOM 0 H ALA A 147 -8.417 -9.394 1.382 1.00 0.00 H new ATOM 0 HA ALA A 147 -9.308 -12.086 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -11.543 -11.017 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -10.474 -10.568 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -10.760 -9.419 1.109 1.00 0.00 H new ATOM 2152 N ASN A 148 -9.259 -9.920 -1.489 1.00 0.00 N ATOM 2153 CA ASN A 148 -9.415 -9.664 -2.892 1.00 0.00 C ATOM 2154 C ASN A 148 -8.077 -9.817 -3.574 1.00 0.00 C ATOM 2155 O ASN A 148 -7.862 -9.361 -4.706 1.00 0.00 O ATOM 2156 CB ASN A 148 -9.983 -8.248 -3.104 1.00 0.00 C ATOM 2157 CG ASN A 148 -9.874 -7.336 -1.893 1.00 0.00 C ATOM 2158 OD1 ASN A 148 -8.692 -7.283 -1.317 1.00 0.00 O flip ATOM 2159 ND2 ASN A 148 -10.838 -6.679 -1.502 1.00 0.00 N flip ATOM 0 H ASN A 148 -8.742 -9.190 -1.000 1.00 0.00 H new ATOM 0 HA ASN A 148 -10.115 -10.378 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 148 -9.462 -7.783 -3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 148 -11.032 -8.330 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 148 -11.735 -6.754 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 148 -10.740 -6.059 -0.698 1.00 0.00 H new ATOM 2166 N ALA A 149 -7.188 -10.483 -2.857 1.00 0.00 N ATOM 2167 CA ALA A 149 -5.863 -10.714 -3.303 1.00 0.00 C ATOM 2168 C ALA A 149 -5.698 -12.071 -4.007 1.00 0.00 C ATOM 2169 O ALA A 149 -6.348 -13.054 -3.643 1.00 0.00 O ATOM 2170 CB ALA A 149 -4.923 -10.562 -2.130 1.00 0.00 C ATOM 0 H ALA A 149 -7.389 -10.876 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 149 -5.616 -9.972 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -3.899 -10.737 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -5.006 -9.553 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.185 -11.286 -1.358 1.00 0.00 H new ATOM 2176 N PRO A 150 -4.822 -12.110 -5.049 1.00 0.00 N ATOM 2177 CA PRO A 150 -4.528 -13.317 -5.859 1.00 0.00 C ATOM 2178 C PRO A 150 -4.008 -14.518 -5.048 1.00 0.00 C ATOM 2179 O PRO A 150 -3.819 -14.427 -3.835 1.00 0.00 O ATOM 2180 CB PRO A 150 -3.482 -12.843 -6.876 1.00 0.00 C ATOM 2181 CG PRO A 150 -2.975 -11.545 -6.363 1.00 0.00 C ATOM 2182 CD PRO A 150 -4.065 -10.948 -5.526 1.00 0.00 C ATOM 0 HA PRO A 150 -5.442 -13.698 -6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -2.674 -13.568 -6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -3.924 -12.726 -7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -2.071 -11.691 -5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -2.714 -10.881 -7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -3.660 -10.368 -4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -4.693 -10.274 -6.109 1.00 0.00 H new ATOM 2190 N VAL A 151 -3.758 -15.625 -5.760 1.00 0.00 N ATOM 2191 CA VAL A 151 -3.319 -16.878 -5.178 1.00 0.00 C ATOM 2192 C VAL A 151 -1.810 -17.040 -5.260 1.00 0.00 C ATOM 2193 O VAL A 151 -1.193 -16.862 -6.314 1.00 0.00 O ATOM 2194 CB VAL A 151 -3.984 -18.082 -5.874 1.00 0.00 C ATOM 2195 CG1 VAL A 151 -3.473 -19.407 -5.313 1.00 0.00 C ATOM 2196 CG2 VAL A 151 -5.504 -18.011 -5.777 1.00 0.00 C ATOM 0 H VAL A 151 -3.860 -15.664 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 151 -3.618 -16.851 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 151 -3.708 -18.034 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.964 -20.233 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.396 -19.475 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.694 -19.460 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.941 -18.875 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -5.802 -18.010 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -5.857 -17.097 -6.255 1.00 0.00 H new ATOM 2206 N PHE A 152 -1.265 -17.422 -4.124 1.00 0.00 N ATOM 2207 CA PHE A 152 0.157 -17.687 -3.947 1.00 0.00 C ATOM 2208 C PHE A 152 0.394 -19.208 -3.975 1.00 0.00 C ATOM 2209 O PHE A 152 0.226 -19.894 -2.960 1.00 0.00 O ATOM 2210 CB PHE A 152 0.623 -17.055 -2.610 1.00 0.00 C ATOM 2211 CG PHE A 152 2.065 -17.302 -2.251 1.00 0.00 C ATOM 2212 CD1 PHE A 152 2.437 -18.466 -1.605 1.00 0.00 C ATOM 2213 CD2 PHE A 152 3.038 -16.378 -2.571 1.00 0.00 C ATOM 2214 CE1 PHE A 152 3.760 -18.708 -1.288 1.00 0.00 C ATOM 2215 CE2 PHE A 152 4.364 -16.609 -2.255 1.00 0.00 C ATOM 2216 CZ PHE A 152 4.726 -17.778 -1.614 1.00 0.00 C ATOM 0 H PHE A 152 -1.809 -17.562 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 152 0.739 -17.242 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 152 0.457 -15.979 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 152 -0.006 -17.439 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 152 1.684 -19.195 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 152 2.761 -15.464 -3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 152 4.037 -19.623 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 152 5.116 -15.876 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 152 5.761 -17.963 -1.369 1.00 0.00 H new ATOM 2226 N ASN A 153 0.794 -19.720 -5.157 1.00 0.00 N ATOM 2227 CA ASN A 153 1.088 -21.162 -5.389 1.00 0.00 C ATOM 2228 C ASN A 153 -0.152 -22.071 -5.278 1.00 0.00 C ATOM 2229 O ASN A 153 -0.247 -23.076 -5.988 1.00 0.00 O ATOM 2230 CB ASN A 153 2.192 -21.670 -4.445 1.00 0.00 C ATOM 2231 CG ASN A 153 3.580 -21.454 -5.013 1.00 0.00 C ATOM 2232 OD1 ASN A 153 4.181 -22.368 -5.578 1.00 0.00 O ATOM 2233 ND2 ASN A 153 4.089 -20.237 -4.880 1.00 0.00 N ATOM 0 H ASN A 153 0.925 -19.145 -5.989 1.00 0.00 H new ATOM 0 HA ASN A 153 1.437 -21.221 -6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 153 2.111 -21.158 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 153 2.042 -22.732 -4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 153 5.015 -20.028 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 153 3.555 -19.510 -4.404 1.00 0.00 H new ATOM 2240 N GLY A 154 -1.089 -21.706 -4.395 1.00 0.00 N ATOM 2241 CA GLY A 154 -2.298 -22.492 -4.190 1.00 0.00 C ATOM 2242 C GLY A 154 -2.690 -22.542 -2.727 1.00 0.00 C ATOM 2243 O GLY A 154 -2.567 -23.587 -2.082 1.00 0.00 O ATOM 0 H GLY A 154 -1.028 -20.870 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -3.114 -22.063 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -2.141 -23.505 -4.560 1.00 0.00 H new ATOM 2247 N THR A 155 -3.168 -21.403 -2.209 1.00 0.00 N ATOM 2248 CA THR A 155 -3.565 -21.267 -0.827 1.00 0.00 C ATOM 2249 C THR A 155 -5.046 -21.580 -0.634 1.00 0.00 C ATOM 2250 O THR A 155 -5.924 -20.787 -0.994 1.00 0.00 O ATOM 2251 CB THR A 155 -3.278 -19.838 -0.337 1.00 0.00 C ATOM 2252 OG1 THR A 155 -3.710 -18.879 -1.312 1.00 0.00 O ATOM 2253 CG2 THR A 155 -1.797 -19.643 -0.045 1.00 0.00 C ATOM 0 H THR A 155 -3.286 -20.549 -2.754 1.00 0.00 H new ATOM 0 HA THR A 155 -2.986 -21.984 -0.245 1.00 0.00 H new ATOM 0 HB THR A 155 -3.834 -19.686 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 155 -4.620 -19.096 -1.603 1.00 0.00 H new ATOM 0 HG21 THR A 155 -1.625 -18.623 0.299 1.00 0.00 H new ATOM 0 HG22 THR A 155 -1.483 -20.345 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 155 -1.221 -19.821 -0.953 1.00 0.00 H new ATOM 2261 N THR A 156 -5.292 -22.755 -0.077 1.00 0.00 N ATOM 2262 CA THR A 156 -6.648 -23.226 0.215 1.00 0.00 C ATOM 2263 C THR A 156 -6.861 -23.344 1.733 1.00 0.00 C ATOM 2264 O THR A 156 -5.944 -23.785 2.434 1.00 0.00 O ATOM 2265 CB THR A 156 -6.936 -24.593 -0.442 1.00 0.00 C ATOM 2266 OG1 THR A 156 -5.846 -25.494 -0.210 1.00 0.00 O ATOM 2267 CG2 THR A 156 -7.171 -24.441 -1.940 1.00 0.00 C ATOM 0 H THR A 156 -4.560 -23.414 0.188 1.00 0.00 H new ATOM 0 HA THR A 156 -7.337 -22.491 -0.201 1.00 0.00 H new ATOM 0 HB THR A 156 -7.841 -25.000 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 156 -6.041 -26.358 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 156 -7.372 -25.419 -2.378 1.00 0.00 H new ATOM 0 HG22 THR A 156 -8.025 -23.785 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 156 -6.285 -24.010 -2.405 1.00 0.00 H new ATOM 2275 N PRO A 157 -8.058 -22.957 2.283 1.00 0.00 N ATOM 2276 CA PRO A 157 -8.323 -23.049 3.721 1.00 0.00 C ATOM 2277 C PRO A 157 -8.763 -24.444 4.167 1.00 0.00 C ATOM 2278 O PRO A 157 -8.278 -24.975 5.171 1.00 0.00 O ATOM 2279 CB PRO A 157 -9.449 -22.027 3.969 1.00 0.00 C ATOM 2280 CG PRO A 157 -9.893 -21.539 2.623 1.00 0.00 C ATOM 2281 CD PRO A 157 -9.225 -22.398 1.581 1.00 0.00 C ATOM 0 HA PRO A 157 -7.417 -22.848 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 157 -10.278 -22.488 4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 157 -9.092 -21.199 4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 157 -10.977 -21.601 2.532 1.00 0.00 H new ATOM 0 HG3 PRO A 157 -9.621 -20.492 2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 157 -9.891 -23.183 1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 157 -8.926 -21.813 0.711 1.00 0.00 H new ATOM 2289 N THR A 158 -9.677 -25.018 3.393 1.00 0.00 N ATOM 2290 CA THR A 158 -10.235 -26.343 3.648 1.00 0.00 C ATOM 2291 C THR A 158 -10.912 -26.882 2.386 1.00 0.00 C ATOM 2292 O THR A 158 -10.447 -27.849 1.775 1.00 0.00 O ATOM 2293 CB THR A 158 -11.231 -26.349 4.864 1.00 0.00 C ATOM 2294 OG1 THR A 158 -11.818 -27.647 5.031 1.00 0.00 O ATOM 2295 CG2 THR A 158 -12.344 -25.296 4.759 1.00 0.00 C ATOM 0 H THR A 158 -10.057 -24.571 2.559 1.00 0.00 H new ATOM 0 HA THR A 158 -9.408 -27.000 3.917 1.00 0.00 H new ATOM 0 HB THR A 158 -10.630 -26.090 5.736 1.00 0.00 H new ATOM 0 HG1 THR A 158 -12.434 -27.632 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 158 -12.991 -25.362 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 158 -11.901 -24.302 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 158 -12.932 -25.476 3.859 1.00 0.00 H new ATOM 2303 N GLU A 159 -12.011 -26.229 2.028 1.00 0.00 N ATOM 2304 CA GLU A 159 -12.799 -26.569 0.852 1.00 0.00 C ATOM 2305 C GLU A 159 -12.265 -25.871 -0.402 1.00 0.00 C ATOM 2306 O GLU A 159 -11.869 -26.582 -1.349 1.00 0.00 O ATOM 2307 CB GLU A 159 -14.275 -26.210 1.074 1.00 0.00 C ATOM 2308 CG GLU A 159 -15.038 -27.220 1.923 1.00 0.00 C ATOM 2309 CD GLU A 159 -15.516 -28.419 1.125 1.00 0.00 C ATOM 2310 OE1 GLU A 159 -16.659 -28.379 0.622 1.00 0.00 O ATOM 2311 OE2 GLU A 159 -14.747 -29.394 1.000 1.00 0.00 O ATOM 2312 OXT GLU A 159 -12.234 -24.621 -0.420 1.00 0.00 O ATOM 0 H GLU A 159 -12.384 -25.438 2.554 1.00 0.00 H new ATOM 0 HA GLU A 159 -12.716 -27.645 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 159 -14.332 -25.232 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 159 -14.766 -26.121 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -14.397 -27.562 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -15.897 -26.728 2.380 1.00 0.00 H new TER 2319 GLU A 159 HETATM 2320 ZN ZN A 201 6.321 -0.773 7.278 1.00 0.00 ZN HETATM 2321 O UNL A 202 8.033 0.318 7.534 1.00 0.00 O