USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1067 hydrogens (84 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 201 GCH H43 : A 201 GCH O4 : A 201 GCH C24 :(short bond) USER MOD Set 1.1: A 42 GLN : amide:sc=-0.00439 K(o=2.1,f=-5!) USER MOD Set 1.2: A 201 GCH O : rot -59:sc= 2.11 USER MOD Set 2.1: A 8 MET CE :methyl -131:sc= -0.39 (180deg=-1.47) USER MOD Set 2.2: A 119 TYR OH : rot 159:sc= 1.2 USER MOD Set 3.1: A 113 THR OG1 : rot -85:sc= 0.598 USER MOD Set 3.2: A 118 THR OG1 : rot 180:sc= 0.568 USER MOD Set 4.1: A 99 GLN :FLIP amide:sc= 0.466 F(o=0.4!,f=2.8) USER MOD Set 4.2: A 101 SER OG : rot -123:sc= 0.738 USER MOD Set 4.3: A 201 GCH O1 : rot -164:sc= 0.834 USER MOD Set 4.4: A 202 CHO O3 : rot 150:sc= 0.804 USER MOD Set 5.1: A 84 GLN : amide:sc= 0.148 K(o=2.5,f=0.97) USER MOD Set 5.2: A 93 ASN : amide:sc= 0.369 K(o=2.5,f=1.4) USER MOD Set 5.3: A 98 HIS : no HE2:sc= 1.33 K(o=2.5,f=-3.2) USER MOD Set 5.4: A 100 THR OG1 : rot -95:sc= 0.652 USER MOD Set 6.1: A 74 MET CE :methyl -108:sc= -2.56 (180deg=-5.02!) USER MOD Set 6.2: A 201 GCH O3 : rot 111:sc= 0.101 USER MOD Set 7.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 70 ASN : amide:sc= -0.226 K(o=-0.23,f=-0.97) USER MOD Set 8.1: A 38 THR OG1 : rot -106:sc= 0.532 USER MOD Set 8.2: A 51 GLN : amide:sc= 1.2 K(o=-0.94,f=-1.6) USER MOD Set 8.3: A 59 MET CE :methyl 174:sc= -2.4 (180deg=-1.94) USER MOD Set 8.4: A 61 ASN : amide:sc= -0.892 K(o=-0.94,f=-3.4!) USER MOD Set 8.5: A 202 CHO O7 : rot -29:sc= 0.616 USER MOD Set 9.1: A 53 TYR OH : rot 85:sc= 1.29 USER MOD Set 9.2: A 57 HIS : no HD1:sc= -0.0807 K(o=1.2,f=0.62) USER MOD Set10.1: A 52 HIS : no HD1:sc= 0.682 K(o=0.59,f=-5.2!) USER MOD Set10.2: A 58 THR OG1 : rot 180:sc= -0.0908 USER MOD Set11.1: A 48 THR OG1 : rot 151:sc= 1.04 USER MOD Set11.2: A 62 LYS NZ :NH3+ -157:sc= 1.18 (180deg=-0.121) USER MOD Single : A 1 ALA N :NH3+ -96:sc= 0.164 (180deg=0.000454) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.271 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 140:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.0794 X(o=0.079,f=-0.025) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.23) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0.917 (180deg=0.774) USER MOD Single : A 33 ASN : amide:sc= 0.614 K(o=0.61,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= 1.7 (180deg=1.38) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0.387 K(o=0.39,f=-0.67) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 113:sc= 0.107 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.14 K(o=0.14,f=-1.5!) USER MOD Single : A 73 THR OG1 : rot -157:sc= -0.14 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 172:sc= -0.0024 (180deg=-0.127) USER MOD Single : A 89 LYS NZ :NH3+ 144:sc= 0.936 (180deg=-1.38!) USER MOD Single : A 96 ASN : amide:sc= 0.408 K(o=0.41,f=-5.2!) USER MOD Single : A 97 TYR OH : rot 150:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 156:sc= 0.44 USER MOD Single : A 123 SER OG : rot 110:sc= -0.193 USER MOD Single : A 124 LYS NZ :NH3+ 141:sc= 0.93 (180deg=-0.491) USER MOD Single : A 202 CHO OT2 : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.877 10.946 13.922 1.00 0.66 N ATOM 2 CA ALA A 1 -24.469 12.018 14.802 1.00 0.48 C ATOM 3 C ALA A 1 -23.720 13.220 14.521 1.00 0.53 C ATOM 4 O ALA A 1 -22.548 13.173 14.181 1.00 1.01 O ATOM 5 CB ALA A 1 -24.284 11.651 16.285 1.00 0.50 C ATOM 0 H1 ALA A 1 -24.440 10.861 13.052 1.00 0.66 H new ATOM 0 H2 ALA A 1 -22.898 11.199 13.677 1.00 0.66 H new ATOM 0 H3 ALA A 1 -23.884 10.038 14.429 1.00 0.66 H new ATOM 0 HA ALA A 1 -25.535 12.139 14.610 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -24.716 12.433 16.910 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -24.784 10.705 16.491 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -23.221 11.555 16.506 1.00 0.50 H new ATOM 13 N PHE A 2 -24.323 14.375 14.739 1.00 0.29 N ATOM 14 CA PHE A 2 -23.740 15.685 14.465 1.00 0.26 C ATOM 15 C PHE A 2 -23.284 16.429 15.733 1.00 0.27 C ATOM 16 O PHE A 2 -23.065 17.630 15.707 1.00 0.36 O ATOM 17 CB PHE A 2 -24.718 16.466 13.582 1.00 0.26 C ATOM 18 CG PHE A 2 -25.028 15.790 12.256 1.00 0.25 C ATOM 19 CD1 PHE A 2 -24.029 15.631 11.277 1.00 0.27 C ATOM 20 CD2 PHE A 2 -26.332 15.319 12.001 1.00 0.24 C ATOM 21 CE1 PHE A 2 -24.353 15.040 10.043 1.00 0.27 C ATOM 22 CE2 PHE A 2 -26.661 14.760 10.758 1.00 0.25 C ATOM 23 CZ PHE A 2 -25.665 14.631 9.779 1.00 0.25 C ATOM 0 H PHE A 2 -25.265 14.433 15.125 1.00 0.29 H new ATOM 0 HA PHE A 2 -22.806 15.564 13.917 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -25.649 16.613 14.130 1.00 0.26 H new ATOM 0 HB3 PHE A 2 -24.304 17.455 13.386 1.00 0.26 H new ATOM 0 HD1 PHE A 2 -23.019 15.961 11.473 1.00 0.27 H new ATOM 0 HD2 PHE A 2 -27.086 15.390 12.771 1.00 0.24 H new ATOM 0 HE1 PHE A 2 -23.586 14.901 9.296 1.00 0.27 H new ATOM 0 HE2 PHE A 2 -27.670 14.432 10.557 1.00 0.25 H new ATOM 0 HZ PHE A 2 -25.912 14.213 8.814 1.00 0.25 H new ATOM 33 N THR A 3 -23.171 15.717 16.860 1.00 0.23 N ATOM 34 CA THR A 3 -22.858 16.255 18.195 1.00 0.22 C ATOM 35 C THR A 3 -21.659 17.207 18.223 1.00 0.23 C ATOM 36 O THR A 3 -20.560 16.859 17.774 1.00 0.27 O ATOM 37 CB THR A 3 -22.693 15.103 19.196 1.00 0.26 C ATOM 38 OG1 THR A 3 -23.821 14.252 19.103 1.00 0.27 O ATOM 39 CG2 THR A 3 -22.536 15.561 20.644 1.00 0.27 C ATOM 0 H THR A 3 -23.300 14.705 16.870 1.00 0.23 H new ATOM 0 HA THR A 3 -23.706 16.873 18.490 1.00 0.22 H new ATOM 0 HB THR A 3 -21.771 14.586 18.931 1.00 0.26 H new ATOM 0 HG1 THR A 3 -23.725 13.511 19.737 1.00 0.27 H new ATOM 0 HG21 THR A 3 -22.425 14.691 21.291 1.00 0.27 H new ATOM 0 HG22 THR A 3 -21.653 16.194 20.732 1.00 0.27 H new ATOM 0 HG23 THR A 3 -23.418 16.126 20.945 1.00 0.27 H new ATOM 47 N GLY A 4 -21.870 18.422 18.732 1.00 0.22 N ATOM 48 CA GLY A 4 -20.918 19.538 18.681 1.00 0.25 C ATOM 49 C GLY A 4 -21.613 20.904 18.787 1.00 0.26 C ATOM 50 O GLY A 4 -22.809 20.968 19.080 1.00 0.46 O ATOM 0 H GLY A 4 -22.738 18.667 19.208 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.198 19.435 19.493 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.356 19.490 17.748 1.00 0.25 H new ATOM 54 N LYS A 5 -20.884 22.003 18.530 1.00 0.24 N ATOM 55 CA LYS A 5 -21.429 23.343 18.539 1.00 0.23 C ATOM 56 C LYS A 5 -20.999 24.070 17.246 1.00 0.20 C ATOM 57 O LYS A 5 -19.812 24.158 16.939 1.00 0.22 O ATOM 58 CB LYS A 5 -20.985 24.054 19.760 1.00 0.30 C ATOM 59 CG LYS A 5 -22.150 25.047 20.208 1.00 0.36 C ATOM 60 CD LYS A 5 -22.347 26.277 19.291 1.00 0.38 C ATOM 61 CE LYS A 5 -21.057 27.122 18.990 1.00 0.41 C ATOM 62 NZ LYS A 5 -20.283 27.555 20.217 1.00 0.73 N ATOM 0 H LYS A 5 -19.889 21.970 18.309 1.00 0.24 H new ATOM 0 HA LYS A 5 -22.518 23.315 18.561 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -20.765 23.342 20.556 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -20.067 24.608 19.565 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -23.086 24.490 20.250 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -21.941 25.396 21.219 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -22.764 25.936 18.343 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -23.088 26.932 19.748 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -20.397 26.537 18.349 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -21.344 28.010 18.426 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -19.450 28.106 19.926 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -20.892 28.142 20.822 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -19.975 26.715 20.747 1.00 0.73 H new ATOM 76 N PHE A 6 -21.947 24.491 16.424 1.00 0.22 N ATOM 77 CA PHE A 6 -21.682 24.974 15.065 1.00 0.25 C ATOM 78 C PHE A 6 -22.128 26.423 14.930 1.00 0.23 C ATOM 79 O PHE A 6 -23.081 26.834 15.602 1.00 0.27 O ATOM 80 CB PHE A 6 -22.382 24.060 14.054 1.00 0.43 C ATOM 81 CG PHE A 6 -21.974 22.612 14.216 1.00 0.28 C ATOM 82 CD1 PHE A 6 -22.620 21.823 15.184 1.00 0.24 C ATOM 83 CD2 PHE A 6 -20.906 22.082 13.468 1.00 0.30 C ATOM 84 CE1 PHE A 6 -22.171 20.523 15.435 1.00 0.26 C ATOM 85 CE2 PHE A 6 -20.485 20.760 13.696 1.00 0.23 C ATOM 86 CZ PHE A 6 -21.107 19.985 14.690 1.00 0.24 C ATOM 0 H PHE A 6 -22.935 24.510 16.678 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.612 24.944 14.860 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.462 24.147 14.174 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -22.146 24.391 13.043 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -23.461 22.220 15.732 1.00 0.24 H new ATOM 0 HD2 PHE A 6 -20.412 22.688 12.723 1.00 0.30 H new ATOM 0 HE1 PHE A 6 -22.643 19.930 16.204 1.00 0.26 H new ATOM 0 HE2 PHE A 6 -19.683 20.340 13.107 1.00 0.23 H new ATOM 0 HZ PHE A 6 -20.768 18.978 14.881 1.00 0.24 H new ATOM 96 N GLU A 7 -21.431 27.203 14.107 1.00 0.25 N ATOM 97 CA GLU A 7 -21.797 28.621 13.912 1.00 0.32 C ATOM 98 C GLU A 7 -22.192 28.885 12.469 1.00 0.32 C ATOM 99 O GLU A 7 -21.402 28.583 11.574 1.00 0.37 O ATOM 100 CB GLU A 7 -20.614 29.524 14.283 1.00 0.44 C ATOM 101 CG GLU A 7 -20.300 29.470 15.780 1.00 1.10 C ATOM 102 CD GLU A 7 -19.079 30.310 16.164 1.00 1.18 C ATOM 103 OE1 GLU A 7 -18.244 30.597 15.262 1.00 1.10 O ATOM 104 OE2 GLU A 7 -18.860 30.364 17.401 1.00 1.98 O ATOM 0 H GLU A 7 -20.622 26.893 13.569 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.647 28.842 14.557 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -19.734 29.220 13.717 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -20.838 30.551 13.996 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -21.167 29.821 16.341 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -20.129 28.434 16.073 1.00 1.10 H new ATOM 111 N MET A 8 -23.383 29.425 12.148 1.00 0.37 N ATOM 112 CA MET A 8 -23.698 29.777 10.743 1.00 0.35 C ATOM 113 C MET A 8 -23.001 31.058 10.280 1.00 0.42 C ATOM 114 O MET A 8 -22.996 32.069 10.974 1.00 0.67 O ATOM 115 CB MET A 8 -25.206 29.829 10.427 1.00 0.39 C ATOM 116 CG MET A 8 -25.461 30.207 8.945 1.00 0.51 C ATOM 117 SD MET A 8 -27.126 30.085 8.256 1.00 0.97 S ATOM 118 CE MET A 8 -27.888 31.551 8.981 1.00 0.35 C ATOM 0 H MET A 8 -24.126 29.624 12.818 1.00 0.37 H new ATOM 0 HA MET A 8 -23.291 28.947 10.166 1.00 0.35 H new ATOM 0 HB2 MET A 8 -25.657 28.860 10.640 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.691 30.556 11.078 1.00 0.39 H new ATOM 0 HG2 MET A 8 -25.129 31.237 8.811 1.00 0.51 H new ATOM 0 HG3 MET A 8 -24.811 29.581 8.334 1.00 0.51 H new ATOM 0 HE1 MET A 8 -28.844 31.280 9.429 1.00 0.35 H new ATOM 0 HE2 MET A 8 -27.231 31.961 9.748 1.00 0.35 H new ATOM 0 HE3 MET A 8 -28.050 32.299 8.205 1.00 0.35 H new ATOM 128 N GLU A 9 -22.644 31.064 8.999 1.00 0.45 N ATOM 129 CA GLU A 9 -22.105 32.195 8.255 1.00 0.55 C ATOM 130 C GLU A 9 -22.268 31.962 6.774 1.00 0.57 C ATOM 131 O GLU A 9 -21.370 31.561 6.035 1.00 1.27 O ATOM 132 CB GLU A 9 -20.583 32.404 8.596 1.00 1.10 C ATOM 133 CG GLU A 9 -20.090 33.789 8.279 1.00 1.63 C ATOM 134 CD GLU A 9 -18.764 34.089 8.905 1.00 2.20 C ATOM 135 OE1 GLU A 9 -17.749 33.595 8.381 1.00 2.75 O ATOM 136 OE2 GLU A 9 -18.638 34.936 9.826 1.00 2.52 O ATOM 0 H GLU A 9 -22.729 30.229 8.419 1.00 0.45 H new ATOM 0 HA GLU A 9 -22.655 33.092 8.541 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -20.424 32.202 9.655 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -19.990 31.678 8.040 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -20.011 33.903 7.198 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -20.823 34.519 8.624 1.00 1.63 H new ATOM 143 N SER A 10 -23.528 32.005 6.339 1.00 0.59 N ATOM 144 CA SER A 10 -23.917 31.721 4.962 1.00 0.94 C ATOM 145 C SER A 10 -25.361 32.161 4.740 1.00 0.68 C ATOM 146 O SER A 10 -26.287 31.614 5.334 1.00 1.26 O ATOM 147 CB SER A 10 -23.804 30.220 4.732 1.00 1.86 C ATOM 148 OG SER A 10 -23.822 29.879 3.366 1.00 2.52 O ATOM 0 H SER A 10 -24.315 32.241 6.943 1.00 0.59 H new ATOM 0 HA SER A 10 -23.269 32.259 4.270 1.00 0.94 H new ATOM 0 HB2 SER A 10 -22.880 29.856 5.182 1.00 1.86 H new ATOM 0 HB3 SER A 10 -24.626 29.715 5.240 1.00 1.86 H new ATOM 0 HG SER A 10 -23.173 29.164 3.199 1.00 2.52 H new ATOM 154 N GLU A 11 -25.547 33.244 3.996 1.00 0.49 N ATOM 155 CA GLU A 11 -26.848 33.832 3.710 1.00 0.37 C ATOM 156 C GLU A 11 -27.254 33.504 2.272 1.00 0.30 C ATOM 157 O GLU A 11 -26.685 34.055 1.323 1.00 0.40 O ATOM 158 CB GLU A 11 -26.769 35.364 3.856 1.00 0.77 C ATOM 159 CG GLU A 11 -26.397 35.871 5.252 1.00 0.96 C ATOM 160 CD GLU A 11 -26.204 37.396 5.272 1.00 1.37 C ATOM 161 OE1 GLU A 11 -26.623 38.078 4.314 1.00 1.92 O ATOM 162 OE2 GLU A 11 -25.576 37.874 6.242 1.00 1.76 O ATOM 0 H GLU A 11 -24.775 33.751 3.563 1.00 0.49 H new ATOM 0 HA GLU A 11 -27.580 33.427 4.409 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -26.037 35.743 3.143 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -27.734 35.789 3.578 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -27.178 35.594 5.960 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -25.480 35.384 5.583 1.00 0.96 H new ATOM 169 N LYS A 12 -28.377 32.801 2.098 1.00 0.24 N ATOM 170 CA LYS A 12 -29.017 32.696 0.785 1.00 0.23 C ATOM 171 C LYS A 12 -30.526 32.475 0.887 1.00 0.18 C ATOM 172 O LYS A 12 -31.162 31.457 0.711 1.00 0.19 O ATOM 173 CB LYS A 12 -28.295 31.609 -0.051 1.00 0.32 C ATOM 174 CG LYS A 12 -28.739 31.525 -1.522 1.00 0.41 C ATOM 175 CD LYS A 12 -28.591 32.865 -2.259 1.00 0.53 C ATOM 176 CE LYS A 12 -28.911 32.689 -3.746 1.00 1.24 C ATOM 177 NZ LYS A 12 -28.811 33.983 -4.465 1.00 1.90 N ATOM 0 H LYS A 12 -28.858 32.300 2.845 1.00 0.24 H new ATOM 0 HA LYS A 12 -28.913 33.648 0.264 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -27.222 31.800 -0.020 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -28.460 30.640 0.419 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -28.148 30.765 -2.034 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -29.779 31.203 -1.566 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -29.260 33.605 -1.821 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -27.576 33.243 -2.140 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -28.222 31.969 -4.188 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -29.915 32.281 -3.860 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -29.032 33.839 -5.471 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -29.486 34.661 -4.056 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -27.845 34.358 -4.373 1.00 1.90 H new ATOM 191 N ASN A 13 -31.263 33.583 0.787 1.00 0.18 N ATOM 192 CA ASN A 13 -32.701 33.768 0.444 1.00 0.16 C ATOM 193 C ASN A 13 -33.486 33.818 1.704 1.00 0.17 C ATOM 194 O ASN A 13 -34.659 33.424 1.711 1.00 0.19 O ATOM 195 CB ASN A 13 -33.264 32.640 -0.529 1.00 0.16 C ATOM 196 CG ASN A 13 -34.235 33.232 -1.516 1.00 0.18 C ATOM 197 OD1 ASN A 13 -33.992 33.058 -2.707 1.00 0.24 O ATOM 198 ND2 ASN A 13 -35.382 33.836 -1.116 1.00 0.18 N ATOM 0 H ASN A 13 -30.827 34.488 0.963 1.00 0.18 H new ATOM 0 HA ASN A 13 -32.799 34.705 -0.104 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.439 32.166 -1.061 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -33.757 31.862 0.054 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -36.059 34.154 -1.809 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -35.567 33.972 -0.122 1.00 0.18 H new ATOM 205 N TYR A 14 -32.854 34.236 2.819 1.00 0.20 N ATOM 206 CA TYR A 14 -33.390 34.087 4.171 1.00 0.22 C ATOM 207 C TYR A 14 -34.643 34.937 4.409 1.00 0.21 C ATOM 208 O TYR A 14 -35.492 34.506 5.188 1.00 0.24 O ATOM 209 CB TYR A 14 -32.350 34.407 5.235 1.00 0.00 C ATOM 210 CG TYR A 14 -32.012 35.876 5.174 1.00 0.00 C ATOM 211 CD1 TYR A 14 -32.760 36.796 5.919 1.00 0.00 C ATOM 212 CD2 TYR A 14 -30.951 36.317 4.376 1.00 0.00 C ATOM 213 CE1 TYR A 14 -32.448 38.159 5.864 1.00 0.00 C ATOM 214 CE2 TYR A 14 -30.639 37.681 4.321 1.00 0.00 C ATOM 215 CZ TYR A 14 -31.385 38.603 5.064 1.00 0.00 C ATOM 216 OH TYR A 14 -31.081 39.926 5.010 1.00 0.00 O ATOM 0 H TYR A 14 -31.942 34.693 2.796 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.672 33.037 4.256 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.733 34.151 6.223 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -31.453 33.809 5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -33.578 36.454 6.536 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -30.373 35.607 3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -33.026 38.869 6.437 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -29.821 38.022 3.704 1.00 0.00 H new ATOM 0 HH TYR A 14 -30.318 40.062 4.410 1.00 0.00 H new ATOM 226 N ASP A 15 -34.824 36.089 3.745 1.00 0.21 N ATOM 227 CA ASP A 15 -36.036 36.933 3.999 1.00 0.25 C ATOM 228 C ASP A 15 -37.300 36.254 3.586 1.00 0.22 C ATOM 229 O ASP A 15 -38.243 35.996 4.325 1.00 0.29 O ATOM 230 CB ASP A 15 -35.979 38.291 3.229 1.00 0.32 C ATOM 231 CG ASP A 15 -35.025 39.244 3.938 1.00 0.88 C ATOM 232 OD1 ASP A 15 -35.431 40.021 4.827 1.00 0.74 O ATOM 233 OD2 ASP A 15 -33.909 39.333 3.369 1.00 1.67 O ATOM 0 H ASP A 15 -34.179 36.461 3.048 1.00 0.21 H new ATOM 0 HA ASP A 15 -36.034 37.103 5.076 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -35.648 38.125 2.204 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -36.975 38.731 3.175 1.00 0.32 H new ATOM 238 N GLU A 16 -37.284 35.757 2.321 1.00 0.18 N ATOM 239 CA GLU A 16 -38.485 35.024 1.861 1.00 0.21 C ATOM 240 C GLU A 16 -38.693 33.687 2.535 1.00 0.20 C ATOM 241 O GLU A 16 -39.787 33.329 2.936 1.00 0.25 O ATOM 242 CB GLU A 16 -38.476 34.778 0.347 1.00 0.26 C ATOM 243 CG GLU A 16 -38.302 36.191 -0.434 1.00 0.30 C ATOM 244 CD GLU A 16 -39.476 37.062 -0.160 1.00 0.64 C ATOM 245 OE1 GLU A 16 -40.645 36.631 -0.399 1.00 0.77 O ATOM 246 OE2 GLU A 16 -39.300 38.233 0.254 1.00 1.00 O ATOM 0 H GLU A 16 -36.519 35.840 1.652 1.00 0.18 H new ATOM 0 HA GLU A 16 -39.304 35.687 2.139 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -37.662 34.103 0.083 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -39.404 34.294 0.042 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -37.386 36.686 -0.111 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -38.209 36.016 -1.506 1.00 0.30 H new ATOM 253 N PHE A 17 -37.577 32.974 2.725 1.00 0.16 N ATOM 254 CA PHE A 17 -37.581 31.642 3.298 1.00 0.15 C ATOM 255 C PHE A 17 -38.130 31.589 4.719 1.00 0.16 C ATOM 256 O PHE A 17 -39.139 30.941 4.975 1.00 0.17 O ATOM 257 CB PHE A 17 -36.214 30.961 3.121 1.00 0.16 C ATOM 258 CG PHE A 17 -36.014 29.627 3.825 1.00 0.16 C ATOM 259 CD1 PHE A 17 -35.727 29.561 5.204 1.00 0.20 C ATOM 260 CD2 PHE A 17 -36.028 28.441 3.067 1.00 0.16 C ATOM 261 CE1 PHE A 17 -35.435 28.327 5.813 1.00 0.22 C ATOM 262 CE2 PHE A 17 -35.770 27.204 3.682 1.00 0.19 C ATOM 263 CZ PHE A 17 -35.460 27.144 5.053 1.00 0.18 C ATOM 0 H PHE A 17 -36.647 33.315 2.482 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.297 31.048 2.730 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -36.045 30.811 2.055 1.00 0.16 H new ATOM 0 HB3 PHE A 17 -35.444 31.649 3.472 1.00 0.16 H new ATOM 0 HD1 PHE A 17 -35.731 30.464 5.797 1.00 0.20 H new ATOM 0 HD2 PHE A 17 -36.238 28.482 2.008 1.00 0.16 H new ATOM 0 HE1 PHE A 17 -35.192 28.288 6.864 1.00 0.22 H new ATOM 0 HE2 PHE A 17 -35.810 26.295 3.100 1.00 0.19 H new ATOM 0 HZ PHE A 17 -35.242 26.194 5.519 1.00 0.18 H new ATOM 273 N MET A 18 -37.619 32.467 5.584 1.00 0.18 N ATOM 274 CA MET A 18 -38.114 32.586 6.951 1.00 0.19 C ATOM 275 C MET A 18 -39.543 33.143 6.997 1.00 0.20 C ATOM 276 O MET A 18 -40.352 32.585 7.743 1.00 0.22 O ATOM 277 CB MET A 18 -37.139 33.400 7.806 1.00 0.20 C ATOM 278 CG MET A 18 -35.751 32.744 7.919 1.00 0.39 C ATOM 279 SD MET A 18 -35.711 31.177 8.841 1.00 1.06 S ATOM 280 CE MET A 18 -35.634 31.828 10.527 1.00 0.36 C ATOM 0 H MET A 18 -36.859 33.108 5.357 1.00 0.18 H new ATOM 0 HA MET A 18 -38.169 31.586 7.380 1.00 0.19 H new ATOM 0 HB2 MET A 18 -37.031 34.396 7.376 1.00 0.20 H new ATOM 0 HB3 MET A 18 -37.558 33.527 8.804 1.00 0.20 H new ATOM 0 HG2 MET A 18 -35.367 32.566 6.914 1.00 0.39 H new ATOM 0 HG3 MET A 18 -35.072 33.448 8.400 1.00 0.39 H new ATOM 0 HE1 MET A 18 -35.603 31.000 11.236 1.00 0.36 H new ATOM 0 HE2 MET A 18 -34.737 32.437 10.641 1.00 0.36 H new ATOM 0 HE3 MET A 18 -36.515 32.439 10.722 1.00 0.36 H new ATOM 290 N LYS A 19 -39.939 34.035 6.066 1.00 0.20 N ATOM 291 CA LYS A 19 -41.345 34.477 5.980 1.00 0.23 C ATOM 292 C LYS A 19 -42.313 33.376 5.554 1.00 0.23 C ATOM 293 O LYS A 19 -43.372 33.243 6.159 1.00 0.29 O ATOM 294 CB LYS A 19 -41.484 35.676 5.027 1.00 0.25 C ATOM 295 CG LYS A 19 -41.015 37.007 5.644 1.00 0.32 C ATOM 296 CD LYS A 19 -41.189 38.194 4.677 1.00 0.87 C ATOM 297 CE LYS A 19 -40.368 38.015 3.391 1.00 1.40 C ATOM 298 NZ LYS A 19 -40.560 39.117 2.421 1.00 1.82 N ATOM 0 H LYS A 19 -39.318 34.456 5.375 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.620 34.768 6.994 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -40.908 35.480 4.123 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.527 35.772 4.726 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -41.578 37.200 6.557 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -39.966 36.923 5.928 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -42.243 38.302 4.422 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -40.886 39.115 5.175 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -39.311 37.946 3.649 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -40.644 37.072 2.919 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -39.943 38.966 1.598 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -41.552 39.138 2.111 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -40.320 40.023 2.872 1.00 1.82 H new ATOM 312 N LEU A 20 -41.964 32.593 4.523 1.00 0.20 N ATOM 313 CA LEU A 20 -42.817 31.601 3.991 1.00 0.20 C ATOM 314 C LEU A 20 -42.882 30.369 4.877 1.00 0.21 C ATOM 315 O LEU A 20 -43.772 29.515 4.842 1.00 0.25 O ATOM 316 CB LEU A 20 -42.481 31.332 2.511 1.00 0.19 C ATOM 317 CG LEU A 20 -42.662 32.439 1.490 1.00 0.22 C ATOM 318 CD1 LEU A 20 -41.733 32.371 0.260 1.00 0.21 C ATOM 319 CD2 LEU A 20 -44.142 32.602 1.022 1.00 0.27 C ATOM 0 H LEU A 20 -41.062 32.657 4.051 1.00 0.20 H new ATOM 0 HA LEU A 20 -43.841 31.973 3.991 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -41.440 31.013 2.465 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -43.088 30.487 2.187 1.00 0.19 H new ATOM 0 HG LEU A 20 -42.362 33.324 2.051 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -41.947 33.208 -0.404 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -40.694 32.422 0.586 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -41.901 31.434 -0.272 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -44.206 33.409 0.292 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -44.484 31.673 0.566 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.771 32.838 1.880 1.00 0.27 H new ATOM 331 N LEU A 21 -41.831 30.128 5.668 1.00 0.19 N ATOM 332 CA LEU A 21 -41.927 29.164 6.763 1.00 0.20 C ATOM 333 C LEU A 21 -42.825 29.667 7.877 1.00 0.23 C ATOM 334 O LEU A 21 -43.526 28.859 8.494 1.00 0.25 O ATOM 335 CB LEU A 21 -40.557 28.844 7.356 1.00 0.22 C ATOM 336 CG LEU A 21 -39.910 27.560 6.835 1.00 0.40 C ATOM 337 CD1 LEU A 21 -40.821 26.447 6.320 1.00 1.20 C ATOM 338 CD2 LEU A 21 -38.768 27.850 5.881 1.00 0.80 C ATOM 0 H LEU A 21 -40.921 30.579 5.572 1.00 0.19 H new ATOM 0 HA LEU A 21 -42.356 28.260 6.330 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -39.886 29.679 7.153 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.655 28.770 8.439 1.00 0.22 H new ATOM 0 HG LEU A 21 -39.520 27.117 7.752 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -40.214 25.605 5.986 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -41.485 26.121 7.120 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -41.415 26.820 5.485 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -38.336 26.911 5.534 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -39.142 28.415 5.027 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -38.004 28.433 6.395 1.00 0.80 H new ATOM 350 N GLY A 22 -42.836 30.981 8.116 1.00 0.30 N ATOM 351 CA GLY A 22 -43.847 31.560 8.944 1.00 0.36 C ATOM 352 C GLY A 22 -43.227 32.280 10.169 1.00 0.36 C ATOM 353 O GLY A 22 -43.893 32.567 11.141 1.00 0.40 O ATOM 0 H GLY A 22 -42.155 31.642 7.743 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -44.435 32.269 8.362 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -44.531 30.782 9.284 1.00 0.36 H new ATOM 357 N ILE A 23 -41.915 32.527 10.174 1.00 0.34 N ATOM 358 CA ILE A 23 -41.297 33.465 11.115 1.00 0.34 C ATOM 359 C ILE A 23 -41.555 34.871 10.574 1.00 0.33 C ATOM 360 O ILE A 23 -41.087 35.198 9.490 1.00 0.31 O ATOM 361 CB ILE A 23 -39.785 33.205 11.281 1.00 0.30 C ATOM 362 CG1 ILE A 23 -39.439 31.759 11.709 1.00 0.30 C ATOM 363 CG2 ILE A 23 -39.223 34.192 12.324 1.00 0.35 C ATOM 364 CD1 ILE A 23 -39.225 30.801 10.529 1.00 0.38 C ATOM 0 H ILE A 23 -41.256 32.087 9.532 1.00 0.34 H new ATOM 0 HA ILE A 23 -41.732 33.341 12.107 1.00 0.34 H new ATOM 0 HB ILE A 23 -39.331 33.351 10.301 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -38.536 31.776 12.320 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -40.242 31.374 12.338 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -38.154 34.018 12.450 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -39.387 35.214 11.983 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -39.730 34.042 13.277 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -38.986 29.807 10.906 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -40.134 30.753 9.930 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -38.402 31.162 9.912 1.00 0.38 H new ATOM 376 N SER A 24 -42.278 35.718 11.311 1.00 0.36 N ATOM 377 CA SER A 24 -42.647 37.059 10.816 1.00 0.37 C ATOM 378 C SER A 24 -41.559 38.129 10.964 1.00 0.35 C ATOM 379 O SER A 24 -41.357 38.914 10.041 1.00 0.33 O ATOM 380 CB SER A 24 -43.936 37.526 11.488 1.00 0.43 C ATOM 381 OG SER A 24 -45.018 36.711 11.081 1.00 0.71 O ATOM 0 H SER A 24 -42.621 35.507 12.248 1.00 0.36 H new ATOM 0 HA SER A 24 -42.789 36.941 9.742 1.00 0.37 H new ATOM 0 HB2 SER A 24 -43.826 37.484 12.572 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.135 38.566 11.228 1.00 0.43 H new ATOM 0 HG SER A 24 -45.840 37.017 11.518 1.00 0.71 H new ATOM 387 N SER A 25 -40.813 38.149 12.080 1.00 0.37 N ATOM 388 CA SER A 25 -39.690 38.980 12.253 1.00 0.37 C ATOM 389 C SER A 25 -38.671 38.433 13.210 1.00 0.36 C ATOM 390 O SER A 25 -37.437 38.611 13.111 1.00 0.37 O ATOM 391 CB SER A 25 -40.153 40.334 12.724 1.00 0.42 C ATOM 392 OG SER A 25 -40.875 40.436 13.975 1.00 1.04 O ATOM 0 H SER A 25 -41.009 37.558 12.888 1.00 0.37 H new ATOM 0 HA SER A 25 -39.192 39.045 11.286 1.00 0.37 H new ATOM 0 HB2 SER A 25 -39.274 40.974 12.799 1.00 0.42 H new ATOM 0 HB3 SER A 25 -40.787 40.754 11.943 1.00 0.42 H new ATOM 0 HG SER A 25 -41.105 41.373 14.144 1.00 1.04 H new ATOM 398 N ASP A 26 -39.116 37.727 14.214 1.00 0.40 N ATOM 399 CA ASP A 26 -38.406 37.433 15.518 1.00 0.44 C ATOM 400 C ASP A 26 -37.051 36.802 15.287 1.00 0.40 C ATOM 401 O ASP A 26 -36.024 37.376 15.746 1.00 0.43 O ATOM 402 CB ASP A 26 -39.172 36.488 16.465 1.00 0.49 C ATOM 403 CG ASP A 26 -38.815 36.579 17.930 1.00 0.85 C ATOM 404 OD1 ASP A 26 -38.746 37.681 18.439 1.00 0.94 O ATOM 405 OD2 ASP A 26 -38.607 35.535 18.625 1.00 1.29 O ATOM 0 H ASP A 26 -40.040 37.295 14.183 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.324 38.413 15.987 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.238 36.687 16.359 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -39.005 35.463 16.135 1.00 0.49 H new ATOM 410 N VAL A 27 -36.991 35.678 14.566 1.00 0.36 N ATOM 411 CA VAL A 27 -35.715 35.068 14.182 1.00 0.35 C ATOM 412 C VAL A 27 -35.030 35.803 13.036 1.00 0.31 C ATOM 413 O VAL A 27 -33.844 36.095 13.165 1.00 0.31 O ATOM 414 CB VAL A 27 -35.786 33.544 13.940 1.00 0.37 C ATOM 415 CG1 VAL A 27 -34.399 32.907 14.051 1.00 0.46 C ATOM 416 CG2 VAL A 27 -36.728 32.823 14.917 1.00 0.58 C ATOM 0 H VAL A 27 -37.813 35.172 14.236 1.00 0.36 H new ATOM 0 HA VAL A 27 -35.080 35.188 15.060 1.00 0.35 H new ATOM 0 HB VAL A 27 -36.182 33.426 12.931 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -34.476 31.834 13.877 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -33.735 33.349 13.308 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -33.996 33.084 15.048 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -36.734 31.756 14.696 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -36.382 32.979 15.939 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -37.737 33.222 14.811 1.00 0.58 H new ATOM 426 N ILE A 28 -35.776 36.256 12.013 1.00 0.28 N ATOM 427 CA ILE A 28 -35.212 36.911 10.815 1.00 0.26 C ATOM 428 C ILE A 28 -34.360 38.134 11.156 1.00 0.27 C ATOM 429 O ILE A 28 -33.271 38.313 10.604 1.00 0.27 O ATOM 430 CB ILE A 28 -36.253 37.357 9.754 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.648 36.705 9.825 1.00 0.26 C ATOM 432 CG2 ILE A 28 -35.608 37.218 8.363 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.596 37.290 8.768 1.00 0.26 C ATOM 0 H ILE A 28 -36.793 36.179 11.992 1.00 0.28 H new ATOM 0 HA ILE A 28 -34.602 36.118 10.383 1.00 0.26 H new ATOM 0 HB ILE A 28 -36.493 38.396 9.980 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -37.556 35.629 9.677 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -38.071 36.855 10.818 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -36.321 37.526 7.599 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -34.722 37.850 8.308 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -35.324 36.179 8.196 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -39.570 36.808 8.846 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -38.707 38.362 8.932 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -38.184 37.116 7.774 1.00 0.26 H new ATOM 445 N GLU A 29 -34.809 38.983 12.084 1.00 0.30 N ATOM 446 CA GLU A 29 -34.040 40.150 12.372 1.00 0.32 C ATOM 447 C GLU A 29 -32.735 39.968 13.215 1.00 0.32 C ATOM 448 O GLU A 29 -31.806 40.729 13.065 1.00 0.36 O ATOM 449 CB GLU A 29 -34.938 41.196 13.047 1.00 0.38 C ATOM 450 CG GLU A 29 -35.236 40.917 14.582 1.00 0.79 C ATOM 451 CD GLU A 29 -36.259 41.941 15.138 1.00 1.14 C ATOM 452 OE1 GLU A 29 -37.414 42.066 14.667 1.00 1.48 O ATOM 453 OE2 GLU A 29 -35.911 42.564 16.195 1.00 1.29 O ATOM 0 H GLU A 29 -35.670 38.874 12.620 1.00 0.30 H new ATOM 0 HA GLU A 29 -33.676 40.468 11.395 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -34.468 42.175 12.953 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -35.885 41.245 12.509 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -35.624 39.906 14.704 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -34.310 40.974 15.153 1.00 0.79 H new ATOM 460 N LYS A 30 -32.621 38.819 13.882 1.00 0.33 N ATOM 461 CA LYS A 30 -31.350 38.333 14.419 1.00 0.37 C ATOM 462 C LYS A 30 -30.596 37.530 13.343 1.00 0.33 C ATOM 463 O LYS A 30 -29.370 37.625 13.315 1.00 0.37 O ATOM 464 CB LYS A 30 -31.582 37.523 15.714 1.00 0.45 C ATOM 465 CG LYS A 30 -32.807 37.907 16.573 1.00 0.52 C ATOM 466 CD LYS A 30 -32.974 39.352 17.085 1.00 0.76 C ATOM 467 CE LYS A 30 -34.421 39.492 17.610 1.00 0.88 C ATOM 468 NZ LYS A 30 -34.828 40.879 17.966 1.00 1.19 N ATOM 0 H LYS A 30 -33.409 38.198 14.065 1.00 0.33 H new ATOM 0 HA LYS A 30 -30.721 39.181 14.690 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -31.675 36.471 15.443 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -30.691 37.615 16.335 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -33.697 37.665 15.992 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -32.808 37.253 17.445 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -32.256 39.564 17.877 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -32.785 40.067 16.284 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -35.105 39.112 16.852 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -34.536 38.858 18.489 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -35.792 40.869 18.355 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -34.172 41.262 18.677 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -34.804 41.477 17.115 1.00 1.19 H new ATOM 482 N ALA A 31 -31.302 36.875 12.405 1.00 0.30 N ATOM 483 CA ALA A 31 -30.723 36.043 11.365 1.00 0.31 C ATOM 484 C ALA A 31 -29.843 36.809 10.376 1.00 0.32 C ATOM 485 O ALA A 31 -28.645 36.567 10.354 1.00 0.40 O ATOM 486 CB ALA A 31 -31.879 35.374 10.639 1.00 0.34 C ATOM 0 H ALA A 31 -32.320 36.919 12.358 1.00 0.30 H new ATOM 0 HA ALA A 31 -30.056 35.318 11.832 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -31.490 34.736 9.845 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -32.450 34.769 11.344 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -32.527 36.136 10.207 1.00 0.34 H new ATOM 492 N ARG A 32 -30.381 37.909 9.826 1.00 0.28 N ATOM 493 CA ARG A 32 -29.771 38.827 8.946 1.00 0.31 C ATOM 494 C ARG A 32 -28.461 39.404 9.604 1.00 0.35 C ATOM 495 O ARG A 32 -27.409 39.488 8.956 1.00 0.43 O ATOM 496 CB ARG A 32 -30.836 39.864 8.475 1.00 0.35 C ATOM 497 CG ARG A 32 -31.286 40.974 9.465 1.00 0.34 C ATOM 498 CD ARG A 32 -32.472 41.747 9.015 1.00 0.45 C ATOM 499 NE ARG A 32 -32.715 42.871 9.918 1.00 1.13 N ATOM 500 CZ ARG A 32 -33.916 43.471 9.991 1.00 1.47 C ATOM 501 NH1 ARG A 32 -35.008 42.981 9.421 1.00 1.06 N ATOM 502 NH2 ARG A 32 -34.020 44.606 10.724 1.00 2.40 N ATOM 0 H ARG A 32 -31.346 38.172 10.027 1.00 0.28 H new ATOM 0 HA ARG A 32 -29.419 38.355 8.029 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -30.447 40.355 7.583 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -31.725 39.311 8.173 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -31.509 40.517 10.429 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -30.456 41.663 9.623 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -32.313 42.114 8.001 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -33.348 41.099 8.986 1.00 0.45 H new ATOM 0 HE ARG A 32 -31.954 43.208 10.508 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -34.961 42.108 8.896 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -35.895 43.477 9.508 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -33.201 44.982 11.201 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -34.918 45.084 10.799 1.00 2.40 H new ATOM 516 N ASN A 33 -28.537 39.884 10.863 1.00 0.35 N ATOM 517 CA ASN A 33 -27.432 40.535 11.513 1.00 0.42 C ATOM 518 C ASN A 33 -26.320 39.602 12.001 1.00 0.38 C ATOM 519 O ASN A 33 -25.194 39.668 11.469 1.00 0.47 O ATOM 520 CB ASN A 33 -27.823 41.485 12.602 1.00 0.53 C ATOM 521 CG ASN A 33 -28.609 42.746 12.116 1.00 0.68 C ATOM 522 OD1 ASN A 33 -28.072 43.648 11.496 1.00 1.09 O ATOM 523 ND2 ASN A 33 -29.898 42.772 12.513 1.00 0.61 N ATOM 0 H ASN A 33 -29.376 39.820 11.439 1.00 0.35 H new ATOM 0 HA ASN A 33 -27.014 41.123 10.696 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -28.434 40.951 13.330 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -26.922 41.813 13.121 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -30.482 43.580 12.297 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -30.289 41.984 13.030 1.00 0.61 H new ATOM 530 N PHE A 34 -26.643 38.712 12.923 1.00 0.35 N ATOM 531 CA PHE A 34 -25.717 37.852 13.655 1.00 0.42 C ATOM 532 C PHE A 34 -25.306 36.544 12.948 1.00 0.46 C ATOM 533 O PHE A 34 -24.133 36.108 12.991 1.00 0.78 O ATOM 534 CB PHE A 34 -26.301 37.485 15.064 1.00 0.52 C ATOM 535 CG PHE A 34 -25.408 36.692 15.948 1.00 0.94 C ATOM 536 CD1 PHE A 34 -24.188 37.219 16.503 1.00 1.98 C ATOM 537 CD2 PHE A 34 -25.839 35.436 16.421 1.00 0.75 C ATOM 538 CE1 PHE A 34 -23.371 36.407 17.219 1.00 2.84 C ATOM 539 CE2 PHE A 34 -25.017 34.642 17.238 1.00 1.54 C ATOM 540 CZ PHE A 34 -23.800 35.162 17.666 1.00 2.62 C ATOM 0 H PHE A 34 -27.613 38.558 13.200 1.00 0.35 H new ATOM 0 HA PHE A 34 -24.812 38.455 13.730 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -26.564 38.409 15.579 1.00 0.52 H new ATOM 0 HB3 PHE A 34 -27.226 36.927 14.919 1.00 0.52 H new ATOM 0 HD1 PHE A 34 -23.925 38.255 16.350 1.00 1.98 H new ATOM 0 HD2 PHE A 34 -26.821 35.077 16.150 1.00 0.75 H new ATOM 0 HE1 PHE A 34 -22.367 36.734 17.447 1.00 2.84 H new ATOM 0 HE2 PHE A 34 -25.324 33.648 17.528 1.00 1.54 H new ATOM 0 HZ PHE A 34 -23.185 34.596 18.349 1.00 2.62 H new ATOM 550 N LYS A 35 -26.268 35.927 12.245 1.00 0.33 N ATOM 551 CA LYS A 35 -26.254 34.515 11.810 1.00 0.36 C ATOM 552 C LYS A 35 -26.095 33.521 12.981 1.00 0.37 C ATOM 553 O LYS A 35 -25.455 33.629 14.017 1.00 0.53 O ATOM 554 CB LYS A 35 -25.261 34.260 10.657 1.00 0.58 C ATOM 555 CG LYS A 35 -25.697 34.803 9.285 1.00 1.15 C ATOM 556 CD LYS A 35 -25.759 36.327 9.110 1.00 1.36 C ATOM 557 CE LYS A 35 -24.418 37.053 9.100 1.00 1.90 C ATOM 558 NZ LYS A 35 -24.634 38.458 8.681 1.00 2.56 N ATOM 0 H LYS A 35 -27.114 36.415 11.950 1.00 0.33 H new ATOM 0 HA LYS A 35 -27.244 34.318 11.400 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -24.302 34.707 10.919 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -25.098 33.186 10.570 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -25.014 34.406 8.534 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -26.685 34.399 9.062 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -26.275 36.545 8.175 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -26.368 36.741 9.914 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -23.965 37.021 10.091 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -23.727 36.558 8.417 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -23.861 39.051 9.044 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -24.653 38.512 7.643 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -25.540 38.798 9.062 1.00 2.56 H new ATOM 572 N ILE A 36 -27.053 32.587 13.025 1.00 0.35 N ATOM 573 CA ILE A 36 -27.461 31.932 14.297 1.00 0.35 C ATOM 574 C ILE A 36 -26.614 30.684 14.636 1.00 0.34 C ATOM 575 O ILE A 36 -25.967 30.127 13.747 1.00 0.43 O ATOM 576 CB ILE A 36 -28.990 31.747 14.287 1.00 0.37 C ATOM 577 CG1 ILE A 36 -29.730 33.102 14.074 1.00 0.44 C ATOM 578 CG2 ILE A 36 -29.518 31.070 15.558 1.00 0.36 C ATOM 579 CD1 ILE A 36 -29.179 34.349 14.777 1.00 0.41 C ATOM 0 H ILE A 36 -27.564 32.262 12.205 1.00 0.35 H new ATOM 0 HA ILE A 36 -27.235 32.576 15.147 1.00 0.35 H new ATOM 0 HB ILE A 36 -29.199 31.087 13.445 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -29.750 33.305 13.003 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -30.764 32.970 14.393 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -30.601 30.967 15.492 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -29.065 30.084 15.660 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -29.263 31.677 16.426 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -29.801 35.210 14.531 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -29.187 34.192 15.856 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -28.157 34.533 14.445 1.00 0.41 H new ATOM 591 N VAL A 37 -26.517 30.293 15.924 1.00 0.30 N ATOM 592 CA VAL A 37 -25.590 29.239 16.355 1.00 0.27 C ATOM 593 C VAL A 37 -26.235 28.091 17.014 1.00 0.25 C ATOM 594 O VAL A 37 -27.332 28.220 17.546 1.00 0.31 O ATOM 595 CB VAL A 37 -24.434 29.817 17.238 1.00 0.30 C ATOM 596 CG1 VAL A 37 -23.735 31.076 16.583 1.00 0.83 C ATOM 597 CG2 VAL A 37 -24.894 30.037 18.698 1.00 0.85 C ATOM 0 H VAL A 37 -27.072 30.695 16.680 1.00 0.30 H new ATOM 0 HA VAL A 37 -25.165 28.844 15.432 1.00 0.27 H new ATOM 0 HB VAL A 37 -23.647 29.064 17.283 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -22.942 31.434 17.239 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -23.310 30.796 15.619 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -24.471 31.867 16.439 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -24.067 30.439 19.283 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -25.726 30.741 18.715 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -25.213 29.087 19.126 1.00 0.85 H new ATOM 607 N THR A 38 -25.627 26.895 16.986 1.00 0.25 N ATOM 608 CA THR A 38 -26.350 25.645 17.314 1.00 0.25 C ATOM 609 C THR A 38 -25.518 24.711 18.186 1.00 0.23 C ATOM 610 O THR A 38 -24.463 24.238 17.775 1.00 0.24 O ATOM 611 CB THR A 38 -26.762 24.914 16.029 1.00 0.29 C ATOM 612 OG1 THR A 38 -27.799 25.643 15.448 1.00 0.39 O ATOM 613 CG2 THR A 38 -27.251 23.472 16.193 1.00 0.28 C ATOM 0 H THR A 38 -24.645 26.762 16.743 1.00 0.25 H new ATOM 0 HA THR A 38 -27.238 25.929 17.879 1.00 0.25 H new ATOM 0 HB THR A 38 -25.856 24.848 15.427 1.00 0.29 H new ATOM 0 HG1 THR A 38 -28.646 25.168 15.579 1.00 0.39 H new ATOM 0 HG21 THR A 38 -27.512 23.063 15.217 1.00 0.28 H new ATOM 0 HG22 THR A 38 -26.461 22.868 16.639 1.00 0.28 H new ATOM 0 HG23 THR A 38 -28.128 23.457 16.839 1.00 0.28 H new ATOM 621 N GLU A 39 -26.115 24.291 19.300 1.00 0.22 N ATOM 622 CA GLU A 39 -25.736 23.120 20.095 1.00 0.20 C ATOM 623 C GLU A 39 -26.449 21.868 19.576 1.00 0.18 C ATOM 624 O GLU A 39 -27.680 21.833 19.496 1.00 0.20 O ATOM 625 CB GLU A 39 -26.144 23.329 21.560 1.00 0.24 C ATOM 626 CG GLU A 39 -25.409 24.490 22.248 1.00 0.56 C ATOM 627 CD GLU A 39 -26.156 25.063 23.463 1.00 0.99 C ATOM 628 OE1 GLU A 39 -27.308 24.626 23.716 1.00 1.41 O ATOM 629 OE2 GLU A 39 -25.580 25.946 24.148 1.00 1.41 O ATOM 0 H GLU A 39 -26.917 24.782 19.694 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.657 22.992 20.016 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -27.217 23.513 21.606 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -25.954 22.411 22.115 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -24.425 24.147 22.567 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -25.249 25.287 21.522 1.00 0.56 H new ATOM 636 N VAL A 40 -25.684 20.828 19.271 1.00 0.17 N ATOM 637 CA VAL A 40 -26.195 19.538 18.808 1.00 0.18 C ATOM 638 C VAL A 40 -25.828 18.456 19.799 1.00 0.19 C ATOM 639 O VAL A 40 -24.645 18.323 20.116 1.00 0.20 O ATOM 640 CB VAL A 40 -25.655 19.182 17.412 1.00 0.17 C ATOM 641 CG1 VAL A 40 -26.339 17.932 16.866 1.00 0.19 C ATOM 642 CG2 VAL A 40 -25.851 20.310 16.400 1.00 0.19 C ATOM 0 H VAL A 40 -24.667 20.855 19.339 1.00 0.17 H new ATOM 0 HA VAL A 40 -27.280 19.613 18.734 1.00 0.18 H new ATOM 0 HB VAL A 40 -24.587 19.009 17.542 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -25.940 17.701 15.878 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.154 17.093 17.537 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -27.412 18.107 16.792 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -25.452 20.004 15.433 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -26.914 20.529 16.301 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -25.327 21.202 16.743 1.00 0.19 H new ATOM 652 N GLN A 41 -26.762 17.541 20.078 1.00 0.22 N ATOM 653 CA GLN A 41 -26.462 16.273 20.599 1.00 0.27 C ATOM 654 C GLN A 41 -27.415 15.244 20.151 1.00 0.27 C ATOM 655 O GLN A 41 -28.633 15.354 20.214 1.00 0.31 O ATOM 656 CB GLN A 41 -26.490 16.407 22.152 1.00 0.41 C ATOM 657 CG GLN A 41 -25.802 15.246 22.805 1.00 0.37 C ATOM 658 CD GLN A 41 -25.733 15.557 24.296 1.00 1.30 C ATOM 659 OE1 GLN A 41 -24.745 15.821 24.951 1.00 2.15 O ATOM 660 NE2 GLN A 41 -26.920 15.399 24.907 1.00 2.00 N ATOM 0 H GLN A 41 -27.759 17.699 19.932 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.484 15.950 20.242 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -26.004 17.336 22.449 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -27.522 16.463 22.497 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -26.352 14.321 22.628 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -24.803 15.107 22.392 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -27.751 15.177 24.358 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -26.990 15.501 25.919 1.00 2.00 H new ATOM 669 N GLN A 42 -26.859 14.189 19.635 1.00 0.27 N ATOM 670 CA GLN A 42 -27.645 13.148 19.019 1.00 0.30 C ATOM 671 C GLN A 42 -27.032 11.797 19.344 1.00 0.33 C ATOM 672 O GLN A 42 -25.786 11.558 19.428 1.00 0.42 O ATOM 673 CB GLN A 42 -27.570 13.295 17.459 1.00 0.43 C ATOM 674 CG GLN A 42 -28.207 14.601 17.032 1.00 0.51 C ATOM 675 CD GLN A 42 -27.849 14.960 15.548 1.00 0.77 C ATOM 676 OE1 GLN A 42 -27.025 14.274 14.970 1.00 1.16 O ATOM 677 NE2 GLN A 42 -28.412 16.051 14.988 1.00 0.73 N ATOM 0 H GLN A 42 -25.853 14.021 19.626 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.670 13.224 19.383 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -26.531 13.263 17.132 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -28.080 12.458 16.981 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -29.289 14.531 17.139 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -27.873 15.402 17.691 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -29.098 16.596 15.510 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -28.151 16.331 14.042 1.00 0.73 H new ATOM 686 N ASP A 43 -27.926 10.820 19.397 1.00 0.31 N ATOM 687 CA ASP A 43 -27.452 9.469 19.724 1.00 0.36 C ATOM 688 C ASP A 43 -28.414 8.407 19.276 1.00 0.37 C ATOM 689 O ASP A 43 -29.581 8.392 19.601 1.00 0.38 O ATOM 690 CB ASP A 43 -27.122 9.355 21.247 1.00 0.43 C ATOM 691 CG ASP A 43 -26.487 7.995 21.619 1.00 0.97 C ATOM 692 OD1 ASP A 43 -25.452 7.640 21.065 1.00 1.01 O ATOM 693 OD2 ASP A 43 -27.200 7.300 22.391 1.00 1.68 O ATOM 0 H ASP A 43 -28.928 10.917 19.230 1.00 0.31 H new ATOM 0 HA ASP A 43 -26.530 9.298 19.168 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -26.441 10.158 21.528 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -28.036 9.495 21.824 1.00 0.43 H new ATOM 698 N GLY A 44 -27.944 7.437 18.485 1.00 0.43 N ATOM 699 CA GLY A 44 -28.816 6.396 17.918 1.00 0.50 C ATOM 700 C GLY A 44 -29.971 6.979 17.085 1.00 0.60 C ATOM 701 O GLY A 44 -29.723 7.614 16.061 1.00 1.24 O ATOM 0 H GLY A 44 -26.963 7.349 18.221 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -28.221 5.731 17.292 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -29.226 5.791 18.727 1.00 0.50 H new ATOM 705 N GLN A 45 -31.201 6.669 17.502 1.00 0.34 N ATOM 706 CA GLN A 45 -32.438 7.165 16.899 1.00 0.30 C ATOM 707 C GLN A 45 -32.932 8.470 17.564 1.00 0.29 C ATOM 708 O GLN A 45 -33.920 9.047 17.101 1.00 0.32 O ATOM 709 CB GLN A 45 -33.501 6.053 17.026 1.00 0.31 C ATOM 710 CG GLN A 45 -34.549 6.066 15.900 1.00 0.32 C ATOM 711 CD GLN A 45 -34.071 5.452 14.583 1.00 0.76 C ATOM 712 OE1 GLN A 45 -33.028 4.836 14.471 1.00 1.37 O ATOM 713 NE2 GLN A 45 -34.847 5.562 13.531 1.00 1.02 N ATOM 0 H GLN A 45 -31.367 6.047 18.293 1.00 0.34 H new ATOM 0 HA GLN A 45 -32.254 7.409 15.853 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -33.001 5.084 17.034 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -34.010 6.157 17.984 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -35.434 5.527 16.238 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -34.854 7.096 15.717 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -35.727 6.073 13.598 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -34.570 5.136 12.646 1.00 1.02 H new ATOM 722 N ASP A 46 -32.356 8.883 18.701 1.00 0.30 N ATOM 723 CA ASP A 46 -32.683 10.024 19.544 1.00 0.34 C ATOM 724 C ASP A 46 -31.794 11.207 19.151 1.00 0.35 C ATOM 725 O ASP A 46 -30.621 11.293 19.347 1.00 0.49 O ATOM 726 CB ASP A 46 -32.519 9.541 20.968 1.00 0.40 C ATOM 727 CG ASP A 46 -32.987 10.518 21.981 1.00 1.10 C ATOM 728 OD1 ASP A 46 -34.131 11.031 21.910 1.00 1.18 O ATOM 729 OD2 ASP A 46 -32.195 10.824 22.948 1.00 1.85 O ATOM 0 H ASP A 46 -31.566 8.366 19.087 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.702 10.393 19.426 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -33.069 8.608 21.093 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -31.468 9.317 21.149 1.00 0.40 H new ATOM 734 N PHE A 47 -32.474 12.280 18.695 1.00 0.26 N ATOM 735 CA PHE A 47 -31.883 13.516 18.178 1.00 0.26 C ATOM 736 C PHE A 47 -32.224 14.803 18.945 1.00 0.19 C ATOM 737 O PHE A 47 -33.357 15.269 18.920 1.00 0.21 O ATOM 738 CB PHE A 47 -32.133 13.653 16.664 1.00 0.31 C ATOM 739 CG PHE A 47 -31.362 12.705 15.755 1.00 1.56 C ATOM 740 CD1 PHE A 47 -31.621 11.325 15.780 1.00 2.65 C ATOM 741 CD2 PHE A 47 -30.411 13.207 14.850 1.00 1.72 C ATOM 742 CE1 PHE A 47 -30.887 10.453 14.959 1.00 3.87 C ATOM 743 CE2 PHE A 47 -29.652 12.334 14.052 1.00 2.93 C ATOM 744 CZ PHE A 47 -29.893 10.951 14.105 1.00 3.99 C ATOM 0 H PHE A 47 -33.494 12.302 18.680 1.00 0.26 H new ATOM 0 HA PHE A 47 -30.813 13.404 18.355 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -33.198 13.509 16.481 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -31.894 14.675 16.371 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -32.387 10.933 16.433 1.00 2.65 H new ATOM 0 HD2 PHE A 47 -30.262 14.273 14.767 1.00 1.72 H new ATOM 0 HE1 PHE A 47 -31.090 9.393 14.986 1.00 3.87 H new ATOM 0 HE2 PHE A 47 -28.885 12.725 13.400 1.00 2.93 H new ATOM 0 HZ PHE A 47 -29.316 10.275 13.491 1.00 3.99 H new ATOM 754 N THR A 48 -31.226 15.510 19.473 1.00 0.22 N ATOM 755 CA THR A 48 -31.304 16.915 19.923 1.00 0.23 C ATOM 756 C THR A 48 -30.602 17.889 18.985 1.00 0.21 C ATOM 757 O THR A 48 -29.409 17.762 18.702 1.00 0.21 O ATOM 758 CB THR A 48 -30.844 17.130 21.377 1.00 0.25 C ATOM 759 OG1 THR A 48 -31.338 16.114 22.218 1.00 0.27 O ATOM 760 CG2 THR A 48 -31.227 18.492 21.963 1.00 0.29 C ATOM 0 H THR A 48 -30.298 15.110 19.608 1.00 0.22 H new ATOM 0 HA THR A 48 -32.370 17.141 19.892 1.00 0.23 H new ATOM 0 HB THR A 48 -29.755 17.096 21.334 1.00 0.25 H new ATOM 0 HG1 THR A 48 -30.718 15.977 22.964 1.00 0.27 H new ATOM 0 HG21 THR A 48 -30.866 18.561 22.989 1.00 0.29 H new ATOM 0 HG22 THR A 48 -30.777 19.285 21.365 1.00 0.29 H new ATOM 0 HG23 THR A 48 -32.312 18.601 21.952 1.00 0.29 H new ATOM 768 N TRP A 49 -31.304 18.961 18.627 1.00 0.23 N ATOM 769 CA TRP A 49 -30.879 19.981 17.675 1.00 0.24 C ATOM 770 C TRP A 49 -31.385 21.332 18.194 1.00 0.25 C ATOM 771 O TRP A 49 -32.575 21.611 18.119 1.00 0.29 O ATOM 772 CB TRP A 49 -31.477 19.558 16.319 1.00 0.29 C ATOM 773 CG TRP A 49 -31.344 20.425 15.101 1.00 0.26 C ATOM 774 CD1 TRP A 49 -31.477 21.769 15.050 1.00 0.29 C ATOM 775 CD2 TRP A 49 -31.302 19.993 13.703 1.00 0.23 C ATOM 776 NE1 TRP A 49 -31.441 22.194 13.740 1.00 0.29 N ATOM 777 CE2 TRP A 49 -31.394 21.141 12.863 1.00 0.25 C ATOM 778 CE3 TRP A 49 -31.206 18.742 13.059 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -31.457 21.057 11.464 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -31.258 18.646 11.654 1.00 0.21 C ATOM 781 CH2 TRP A 49 -31.418 19.794 10.863 1.00 0.22 C ATOM 0 H TRP A 49 -32.229 19.150 19.012 1.00 0.23 H new ATOM 0 HA TRP A 49 -29.800 20.080 17.556 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -31.042 18.590 16.069 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -32.543 19.397 16.479 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -31.594 22.414 15.908 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -31.448 23.174 13.457 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -31.091 17.846 13.650 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -31.534 21.950 10.862 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -31.174 17.679 11.181 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -31.511 19.703 9.791 1.00 0.22 H new ATOM 792 N SER A 50 -30.542 22.128 18.850 1.00 0.23 N ATOM 793 CA SER A 50 -30.981 23.452 19.383 1.00 0.25 C ATOM 794 C SER A 50 -30.178 24.635 18.872 1.00 0.26 C ATOM 795 O SER A 50 -28.934 24.638 18.851 1.00 0.32 O ATOM 796 CB SER A 50 -30.845 23.314 20.941 1.00 0.26 C ATOM 797 OG SER A 50 -31.617 22.167 21.438 1.00 1.22 O ATOM 0 H SER A 50 -29.564 21.901 19.032 1.00 0.23 H new ATOM 0 HA SER A 50 -31.996 23.670 19.050 1.00 0.25 H new ATOM 0 HB2 SER A 50 -29.795 23.194 21.209 1.00 0.26 H new ATOM 0 HB3 SER A 50 -31.194 24.228 21.422 1.00 0.26 H new ATOM 0 HG SER A 50 -31.515 22.101 22.410 1.00 1.22 H new ATOM 803 N GLN A 51 -30.931 25.682 18.562 1.00 0.26 N ATOM 804 CA GLN A 51 -30.393 26.971 18.139 1.00 0.27 C ATOM 805 C GLN A 51 -30.502 28.000 19.155 1.00 0.28 C ATOM 806 O GLN A 51 -31.339 27.966 20.036 1.00 0.31 O ATOM 807 CB GLN A 51 -31.198 27.503 16.914 1.00 0.35 C ATOM 808 CG GLN A 51 -30.832 26.873 15.596 1.00 0.53 C ATOM 809 CD GLN A 51 -31.244 25.365 15.445 1.00 0.69 C ATOM 810 OE1 GLN A 51 -30.393 24.534 15.660 1.00 1.50 O ATOM 811 NE2 GLN A 51 -32.468 25.050 15.032 1.00 0.53 N ATOM 0 H GLN A 51 -31.950 25.660 18.598 1.00 0.26 H new ATOM 0 HA GLN A 51 -29.342 26.788 17.915 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -32.260 27.340 17.096 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -31.049 28.580 16.840 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -31.301 27.444 14.795 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -29.754 26.955 15.458 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -33.154 25.785 14.863 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -32.721 24.073 14.884 1.00 0.53 H new ATOM 820 N HIS A 52 -29.560 28.943 19.133 1.00 0.36 N ATOM 821 CA HIS A 52 -29.470 30.087 20.045 1.00 0.39 C ATOM 822 C HIS A 52 -29.260 31.352 19.231 1.00 0.41 C ATOM 823 O HIS A 52 -28.230 31.501 18.579 1.00 0.45 O ATOM 824 CB HIS A 52 -28.320 29.880 21.039 1.00 0.41 C ATOM 825 CG HIS A 52 -28.608 28.814 22.056 1.00 0.85 C ATOM 826 ND1 HIS A 52 -29.132 29.002 23.323 1.00 1.08 N ATOM 827 CD2 HIS A 52 -28.271 27.496 21.939 1.00 1.97 C ATOM 828 CE1 HIS A 52 -29.069 27.829 23.976 1.00 1.53 C ATOM 829 NE2 HIS A 52 -28.590 26.897 23.141 1.00 2.21 N ATOM 0 H HIS A 52 -28.804 28.931 18.448 1.00 0.36 H new ATOM 0 HA HIS A 52 -30.394 30.179 20.615 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -27.416 29.616 20.490 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -28.118 30.820 21.553 1.00 0.41 H new ATOM 0 HD2 HIS A 52 -27.839 27.015 21.074 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -29.357 27.665 25.004 1.00 1.53 H new ATOM 0 HE2 HIS A 52 -28.479 25.907 23.358 1.00 2.21 H new ATOM 837 N TYR A 53 -30.273 32.231 19.203 1.00 0.42 N ATOM 838 CA TYR A 53 -30.218 33.482 18.436 1.00 0.45 C ATOM 839 C TYR A 53 -29.945 34.713 19.311 1.00 0.57 C ATOM 840 O TYR A 53 -30.236 34.727 20.510 1.00 0.67 O ATOM 841 CB TYR A 53 -31.439 33.669 17.512 1.00 0.00 C ATOM 842 CG TYR A 53 -32.806 33.818 18.153 1.00 0.00 C ATOM 843 CD1 TYR A 53 -33.116 35.020 18.812 1.00 0.00 C ATOM 844 CD2 TYR A 53 -33.810 32.847 17.961 1.00 0.00 C ATOM 845 CE1 TYR A 53 -34.417 35.268 19.276 1.00 0.00 C ATOM 846 CE2 TYR A 53 -35.109 33.073 18.459 1.00 0.00 C ATOM 847 CZ TYR A 53 -35.413 34.286 19.113 1.00 0.00 C ATOM 848 OH TYR A 53 -36.577 34.414 19.789 1.00 0.00 O ATOM 0 H TYR A 53 -31.148 32.095 19.709 1.00 0.42 H new ATOM 0 HA TYR A 53 -29.353 33.387 17.780 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -31.261 34.552 16.899 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -31.479 32.815 16.836 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -32.345 35.761 18.963 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -33.584 31.932 17.433 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -34.653 36.207 19.755 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -35.872 32.318 18.340 1.00 0.00 H new ATOM 0 HH TYR A 53 -37.187 34.991 19.284 1.00 0.00 H new ATOM 858 N SER A 54 -29.471 35.788 18.674 1.00 0.99 N ATOM 859 CA SER A 54 -28.801 36.902 19.387 1.00 1.16 C ATOM 860 C SER A 54 -29.498 37.701 20.454 1.00 1.53 C ATOM 861 O SER A 54 -28.804 38.403 21.181 1.00 2.11 O ATOM 862 CB SER A 54 -28.255 37.889 18.328 1.00 1.49 C ATOM 863 OG SER A 54 -26.928 38.329 18.669 1.00 2.57 O ATOM 0 H SER A 54 -29.535 35.919 17.664 1.00 0.99 H new ATOM 0 HA SER A 54 -28.068 36.357 19.982 1.00 1.16 H new ATOM 0 HB2 SER A 54 -28.242 37.408 17.350 1.00 1.49 H new ATOM 0 HB3 SER A 54 -28.919 38.750 18.251 1.00 1.49 H new ATOM 0 HG SER A 54 -26.288 37.976 18.016 1.00 2.57 H new ATOM 869 N GLY A 55 -30.809 37.696 20.570 1.00 1.89 N ATOM 870 CA GLY A 55 -31.373 38.228 21.781 1.00 2.45 C ATOM 871 C GLY A 55 -31.264 37.447 23.069 1.00 1.85 C ATOM 872 O GLY A 55 -31.955 37.728 24.062 1.00 2.24 O ATOM 0 H GLY A 55 -31.471 37.348 19.877 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -30.914 39.202 21.952 1.00 2.45 H new ATOM 0 HA3 GLY A 55 -32.433 38.403 21.596 1.00 2.45 H new ATOM 876 N GLY A 56 -30.586 36.317 23.006 1.00 1.21 N ATOM 877 CA GLY A 56 -30.407 35.394 24.052 1.00 1.54 C ATOM 878 C GLY A 56 -31.533 34.415 24.165 1.00 1.32 C ATOM 879 O GLY A 56 -31.715 33.933 25.303 1.00 1.56 O ATOM 0 H GLY A 56 -30.121 36.021 22.148 1.00 1.21 H new ATOM 0 HA2 GLY A 56 -29.475 34.851 23.895 1.00 1.54 H new ATOM 0 HA3 GLY A 56 -30.307 35.934 24.993 1.00 1.54 H new ATOM 883 N HIS A 57 -32.289 34.135 23.096 1.00 0.94 N ATOM 884 CA HIS A 57 -33.391 33.175 23.115 1.00 0.81 C ATOM 885 C HIS A 57 -32.983 31.853 22.462 1.00 0.66 C ATOM 886 O HIS A 57 -32.405 31.793 21.379 1.00 0.63 O ATOM 887 CB HIS A 57 -34.615 33.770 22.488 1.00 0.00 C ATOM 888 CG HIS A 57 -35.845 32.897 22.575 1.00 0.00 C ATOM 889 ND1 HIS A 57 -36.044 31.818 21.721 1.00 0.00 N ATOM 890 CD2 HIS A 57 -36.923 32.944 23.403 1.00 0.00 C ATOM 891 CE1 HIS A 57 -37.195 31.255 22.039 1.00 0.00 C ATOM 892 NE2 HIS A 57 -37.732 31.913 23.036 1.00 0.00 N ATOM 0 H HIS A 57 -32.148 34.575 22.186 1.00 0.94 H new ATOM 0 HA HIS A 57 -33.637 32.946 24.152 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -34.827 34.725 22.968 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -34.406 33.980 21.439 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -37.101 33.657 24.194 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -37.625 30.391 21.555 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -38.625 31.686 23.473 1.00 0.00 H new ATOM 900 N THR A 58 -33.260 30.792 23.203 1.00 0.61 N ATOM 901 CA THR A 58 -32.915 29.399 23.053 1.00 0.54 C ATOM 902 C THR A 58 -34.122 28.704 22.452 1.00 0.53 C ATOM 903 O THR A 58 -35.232 28.838 22.889 1.00 0.64 O ATOM 904 CB THR A 58 -32.669 28.664 24.405 1.00 0.61 C ATOM 905 OG1 THR A 58 -31.518 29.168 25.098 1.00 0.73 O ATOM 906 CG2 THR A 58 -32.531 27.145 24.231 1.00 0.60 C ATOM 0 H THR A 58 -33.816 30.917 24.049 1.00 0.61 H new ATOM 0 HA THR A 58 -32.004 29.362 22.455 1.00 0.54 H new ATOM 0 HB THR A 58 -33.556 28.865 25.006 1.00 0.61 H new ATOM 0 HG1 THR A 58 -31.403 28.680 25.940 1.00 0.73 H new ATOM 0 HG21 THR A 58 -32.361 26.681 25.203 1.00 0.60 H new ATOM 0 HG22 THR A 58 -33.445 26.744 23.793 1.00 0.60 H new ATOM 0 HG23 THR A 58 -31.689 26.929 23.574 1.00 0.60 H new ATOM 914 N MET A 59 -33.926 27.900 21.416 1.00 0.47 N ATOM 915 CA MET A 59 -35.026 27.163 20.784 1.00 0.53 C ATOM 916 C MET A 59 -34.597 25.720 20.551 1.00 0.45 C ATOM 917 O MET A 59 -33.553 25.468 19.948 1.00 0.52 O ATOM 918 CB MET A 59 -35.507 27.908 19.532 1.00 0.70 C ATOM 919 CG MET A 59 -34.354 28.290 18.596 1.00 0.68 C ATOM 920 SD MET A 59 -34.662 28.071 16.842 1.00 1.13 S ATOM 921 CE MET A 59 -34.900 26.264 16.833 1.00 0.46 C ATOM 0 H MET A 59 -33.014 27.737 20.990 1.00 0.47 H new ATOM 0 HA MET A 59 -35.897 27.114 21.437 1.00 0.53 H new ATOM 0 HB2 MET A 59 -36.217 27.282 18.991 1.00 0.70 H new ATOM 0 HB3 MET A 59 -36.041 28.810 19.832 1.00 0.70 H new ATOM 0 HG2 MET A 59 -34.099 29.335 18.773 1.00 0.68 H new ATOM 0 HG3 MET A 59 -33.480 27.699 18.868 1.00 0.68 H new ATOM 0 HE1 MET A 59 -35.210 25.943 15.839 1.00 0.46 H new ATOM 0 HE2 MET A 59 -33.964 25.772 17.098 1.00 0.46 H new ATOM 0 HE3 MET A 59 -35.669 25.995 17.557 1.00 0.46 H new ATOM 931 N THR A 60 -35.265 24.797 21.249 1.00 0.42 N ATOM 932 CA THR A 60 -34.915 23.376 21.163 1.00 0.40 C ATOM 933 C THR A 60 -35.696 22.704 20.057 1.00 0.38 C ATOM 934 O THR A 60 -36.909 22.894 19.969 1.00 0.49 O ATOM 935 CB THR A 60 -35.082 22.634 22.500 1.00 0.54 C ATOM 936 OG1 THR A 60 -36.449 22.466 22.807 1.00 0.68 O ATOM 937 CG2 THR A 60 -34.436 23.351 23.685 1.00 0.53 C ATOM 0 H THR A 60 -36.044 25.005 21.874 1.00 0.42 H new ATOM 0 HA THR A 60 -33.853 23.324 20.922 1.00 0.40 H new ATOM 0 HB THR A 60 -34.579 21.677 22.358 1.00 0.54 H new ATOM 0 HG1 THR A 60 -36.537 21.991 23.660 1.00 0.68 H new ATOM 0 HG21 THR A 60 -34.595 22.769 24.593 1.00 0.53 H new ATOM 0 HG22 THR A 60 -33.366 23.459 23.506 1.00 0.53 H new ATOM 0 HG23 THR A 60 -34.886 24.337 23.803 1.00 0.53 H new ATOM 945 N ASN A 61 -35.076 21.775 19.339 1.00 0.30 N ATOM 946 CA ASN A 61 -35.776 20.853 18.457 1.00 0.29 C ATOM 947 C ASN A 61 -35.328 19.432 18.814 1.00 0.30 C ATOM 948 O ASN A 61 -34.188 19.037 18.549 1.00 0.52 O ATOM 949 CB ASN A 61 -35.541 21.231 16.980 1.00 0.32 C ATOM 950 CG ASN A 61 -35.717 22.697 16.593 1.00 0.45 C ATOM 951 OD1 ASN A 61 -34.989 23.225 15.766 1.00 0.84 O ATOM 952 ND2 ASN A 61 -36.632 23.425 17.194 1.00 0.47 N ATOM 0 H ASN A 61 -34.065 21.641 19.354 1.00 0.30 H new ATOM 0 HA ASN A 61 -36.856 20.910 18.595 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -34.528 20.932 16.713 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -36.220 20.637 16.368 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -36.726 24.415 16.967 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -37.248 23.000 17.887 1.00 0.47 H new ATOM 959 N LYS A 62 -36.139 18.735 19.610 1.00 0.29 N ATOM 960 CA LYS A 62 -35.868 17.339 20.015 1.00 0.29 C ATOM 961 C LYS A 62 -36.749 16.361 19.249 1.00 0.29 C ATOM 962 O LYS A 62 -37.952 16.575 19.193 1.00 0.39 O ATOM 963 CB LYS A 62 -36.071 17.171 21.528 1.00 0.28 C ATOM 964 CG LYS A 62 -34.838 17.628 22.306 1.00 0.31 C ATOM 965 CD LYS A 62 -35.070 17.533 23.822 1.00 0.43 C ATOM 966 CE LYS A 62 -33.756 17.519 24.618 1.00 0.46 C ATOM 967 NZ LYS A 62 -33.006 16.248 24.432 1.00 0.83 N ATOM 0 H LYS A 62 -37.004 19.114 19.996 1.00 0.29 H new ATOM 0 HA LYS A 62 -34.829 17.115 19.773 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -36.940 17.747 21.847 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -36.281 16.126 21.755 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -33.981 17.014 22.028 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -34.595 18.656 22.036 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -35.679 18.377 24.147 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -35.635 16.628 24.044 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -33.133 18.357 24.305 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -33.972 17.661 25.677 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -32.366 16.102 25.238 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -33.676 15.455 24.374 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -32.451 16.298 23.554 1.00 0.83 H new ATOM 981 N PHE A 63 -36.182 15.364 18.587 1.00 0.27 N ATOM 982 CA PHE A 63 -36.953 14.510 17.692 1.00 0.25 C ATOM 983 C PHE A 63 -36.404 13.090 17.656 1.00 0.22 C ATOM 984 O PHE A 63 -35.204 12.843 17.746 1.00 0.22 O ATOM 985 CB PHE A 63 -37.021 15.110 16.274 1.00 0.30 C ATOM 986 CG PHE A 63 -35.687 15.269 15.569 1.00 0.30 C ATOM 987 CD1 PHE A 63 -34.829 16.336 15.896 1.00 0.53 C ATOM 988 CD2 PHE A 63 -35.300 14.343 14.581 1.00 0.34 C ATOM 989 CE1 PHE A 63 -33.595 16.471 15.242 1.00 0.58 C ATOM 990 CE2 PHE A 63 -34.064 14.480 13.925 1.00 0.40 C ATOM 991 CZ PHE A 63 -33.215 15.548 14.258 1.00 0.42 C ATOM 0 H PHE A 63 -35.192 15.125 18.651 1.00 0.27 H new ATOM 0 HA PHE A 63 -37.967 14.459 18.088 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -37.663 14.478 15.661 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -37.500 16.087 16.334 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -35.121 17.051 16.651 1.00 0.53 H new ATOM 0 HD2 PHE A 63 -35.956 13.524 14.326 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -32.936 17.288 15.497 1.00 0.58 H new ATOM 0 HE2 PHE A 63 -33.769 13.768 13.169 1.00 0.40 H new ATOM 0 HZ PHE A 63 -32.266 15.658 13.754 1.00 0.42 H new ATOM 1001 N THR A 64 -37.295 12.159 17.353 1.00 0.21 N ATOM 1002 CA THR A 64 -36.948 10.818 16.871 1.00 0.19 C ATOM 1003 C THR A 64 -36.860 10.745 15.353 1.00 0.18 C ATOM 1004 O THR A 64 -37.865 10.991 14.682 1.00 0.21 O ATOM 1005 CB THR A 64 -37.871 9.728 17.439 1.00 0.22 C ATOM 1006 OG1 THR A 64 -38.291 10.022 18.755 1.00 0.29 O ATOM 1007 CG2 THR A 64 -37.266 8.328 17.420 1.00 0.21 C ATOM 0 H THR A 64 -38.300 12.311 17.434 1.00 0.21 H new ATOM 0 HA THR A 64 -35.948 10.616 17.255 1.00 0.19 H new ATOM 0 HB THR A 64 -38.728 9.729 16.766 1.00 0.22 H new ATOM 0 HG1 THR A 64 -38.877 9.306 19.079 1.00 0.29 H new ATOM 0 HG21 THR A 64 -37.980 7.618 17.837 1.00 0.21 H new ATOM 0 HG22 THR A 64 -37.032 8.047 16.393 1.00 0.21 H new ATOM 0 HG23 THR A 64 -36.353 8.318 18.016 1.00 0.21 H new ATOM 1015 N VAL A 65 -35.712 10.343 14.815 1.00 0.18 N ATOM 1016 CA VAL A 65 -35.577 10.077 13.377 1.00 0.19 C ATOM 1017 C VAL A 65 -36.425 8.883 12.922 1.00 0.18 C ATOM 1018 O VAL A 65 -36.549 7.893 13.649 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.092 10.014 12.979 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -33.408 8.700 13.344 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -33.901 10.219 11.483 1.00 0.86 C ATOM 0 H VAL A 65 -34.857 10.193 15.351 1.00 0.18 H new ATOM 0 HA VAL A 65 -35.997 10.915 12.821 1.00 0.19 H new ATOM 0 HB VAL A 65 -33.632 10.821 13.550 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -32.364 8.734 13.031 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -33.459 8.551 14.423 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -33.912 7.875 12.840 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -32.839 10.168 11.241 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -34.435 9.441 10.938 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -34.291 11.196 11.197 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.109 8.990 11.779 1.00 0.16 N ATOM 1032 CA GLY A 66 -37.989 7.922 11.293 1.00 0.19 C ATOM 1033 C GLY A 66 -39.372 7.950 11.938 1.00 0.20 C ATOM 1034 O GLY A 66 -40.078 6.940 11.915 1.00 0.26 O ATOM 0 H GLY A 66 -37.070 9.808 11.171 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -38.096 8.011 10.212 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -37.522 6.957 11.489 1.00 0.19 H new ATOM 1038 N LYS A 67 -39.714 9.046 12.629 1.00 0.18 N ATOM 1039 CA LYS A 67 -40.881 9.155 13.462 1.00 0.20 C ATOM 1040 C LYS A 67 -41.537 10.400 13.009 1.00 0.21 C ATOM 1041 O LYS A 67 -41.032 11.253 12.291 1.00 0.41 O ATOM 1042 CB LYS A 67 -40.470 9.108 14.941 1.00 0.35 C ATOM 1043 CG LYS A 67 -41.419 8.345 15.875 1.00 0.36 C ATOM 1044 CD LYS A 67 -41.397 6.856 15.616 1.00 0.65 C ATOM 1045 CE LYS A 67 -42.249 5.994 16.689 1.00 0.84 C ATOM 1046 NZ LYS A 67 -41.954 4.570 16.523 1.00 1.54 N ATOM 0 H LYS A 67 -39.156 9.900 12.611 1.00 0.18 H new ATOM 0 HA LYS A 67 -41.591 8.333 13.376 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -39.481 8.654 15.009 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.377 10.131 15.305 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -41.139 8.536 16.911 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.434 8.720 15.745 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -41.789 6.665 14.617 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -40.363 6.510 15.625 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -42.002 6.311 17.702 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -43.315 6.173 16.550 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -42.503 4.019 17.214 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -42.211 4.272 15.560 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -40.939 4.406 16.677 1.00 1.54 H new ATOM 1060 N GLU A 68 -42.804 10.499 13.499 1.00 0.20 N ATOM 1061 CA GLU A 68 -43.735 11.582 13.238 1.00 0.23 C ATOM 1062 C GLU A 68 -44.375 12.059 14.536 1.00 0.29 C ATOM 1063 O GLU A 68 -44.399 11.355 15.524 1.00 0.38 O ATOM 1064 CB GLU A 68 -44.801 10.975 12.248 1.00 0.28 C ATOM 1065 CG GLU A 68 -45.864 11.923 11.731 1.00 0.36 C ATOM 1066 CD GLU A 68 -46.887 11.325 10.771 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -46.530 10.883 9.687 1.00 0.57 O ATOM 1068 OE2 GLU A 68 -48.071 11.277 11.204 1.00 0.62 O ATOM 0 H GLU A 68 -43.200 9.785 14.110 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.248 12.457 12.806 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -44.272 10.557 11.392 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -45.299 10.146 12.750 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -46.398 12.339 12.586 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.368 12.754 11.230 1.00 0.36 H new ATOM 1075 N SER A 69 -44.886 13.299 14.470 1.00 0.29 N ATOM 1076 CA SER A 69 -45.503 14.101 15.544 1.00 0.34 C ATOM 1077 C SER A 69 -44.550 14.579 16.653 1.00 0.34 C ATOM 1078 O SER A 69 -44.894 14.572 17.830 1.00 0.40 O ATOM 1079 CB SER A 69 -46.800 13.462 16.056 1.00 0.43 C ATOM 1080 OG SER A 69 -47.761 13.467 15.011 1.00 1.30 O ATOM 0 H SER A 69 -44.878 13.812 13.589 1.00 0.29 H new ATOM 0 HA SER A 69 -45.781 15.042 15.070 1.00 0.34 H new ATOM 0 HB2 SER A 69 -46.611 12.441 16.389 1.00 0.43 H new ATOM 0 HB3 SER A 69 -47.177 14.014 16.917 1.00 0.43 H new ATOM 0 HG SER A 69 -48.593 13.058 15.330 1.00 1.30 H new ATOM 1086 N ASN A 70 -43.338 15.004 16.264 1.00 0.32 N ATOM 1087 CA ASN A 70 -42.245 15.310 17.182 1.00 0.38 C ATOM 1088 C ASN A 70 -41.285 16.372 16.571 1.00 0.34 C ATOM 1089 O ASN A 70 -40.119 16.433 16.953 1.00 0.37 O ATOM 1090 CB ASN A 70 -41.508 13.991 17.466 1.00 0.49 C ATOM 1091 CG ASN A 70 -40.809 14.024 18.836 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -40.942 14.894 19.717 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -40.050 12.871 19.052 1.00 0.85 N ATOM 0 H ASN A 70 -43.092 15.145 15.284 1.00 0.32 H new ATOM 0 HA ASN A 70 -42.630 15.737 18.108 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -42.216 13.163 17.437 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -40.771 13.808 16.684 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -39.588 12.725 19.949 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -39.958 12.175 18.312 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.779 17.150 15.598 1.00 0.30 N ATOM 1101 CA ILE A 71 -41.055 18.119 14.764 1.00 0.28 C ATOM 1102 C ILE A 71 -41.287 19.532 15.311 1.00 0.29 C ATOM 1103 O ILE A 71 -42.395 20.034 15.160 1.00 0.30 O ATOM 1104 CB ILE A 71 -41.599 17.969 13.315 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -41.115 16.623 12.726 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -41.374 19.155 12.350 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -41.502 16.431 11.263 1.00 0.24 C ATOM 0 H ILE A 71 -42.769 17.116 15.355 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.980 17.940 14.772 1.00 0.28 H new ATOM 0 HB ILE A 71 -42.685 17.977 13.413 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -40.031 16.563 12.819 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -41.531 15.806 13.315 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -41.802 18.918 11.376 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -41.856 20.047 12.751 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -40.305 19.338 12.242 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -41.132 15.468 10.912 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -42.587 16.460 11.167 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -41.063 17.228 10.663 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.265 20.214 15.840 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.358 21.594 16.362 1.00 0.33 C ATOM 1121 C GLN A 72 -39.646 22.609 15.447 1.00 0.31 C ATOM 1122 O GLN A 72 -38.490 22.389 15.111 1.00 0.29 O ATOM 1123 CB GLN A 72 -39.741 21.674 17.769 1.00 0.38 C ATOM 1124 CG GLN A 72 -40.285 20.664 18.795 1.00 0.46 C ATOM 1125 CD GLN A 72 -39.607 20.832 20.154 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -38.826 20.089 20.732 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -39.890 21.931 20.820 1.00 1.96 N ATOM 0 H GLN A 72 -39.328 19.819 15.922 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.417 21.849 16.399 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -38.664 21.531 17.682 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -39.899 22.680 18.158 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -41.361 20.798 18.904 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -40.125 19.650 18.430 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -40.532 22.617 20.423 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -39.467 22.097 21.733 1.00 1.96 H new ATOM 1136 N THR A 73 -40.245 23.788 15.229 1.00 0.36 N ATOM 1137 CA THR A 73 -39.703 24.918 14.435 1.00 0.38 C ATOM 1138 C THR A 73 -38.646 25.825 15.069 1.00 0.42 C ATOM 1139 O THR A 73 -38.422 25.807 16.280 1.00 0.43 O ATOM 1140 CB THR A 73 -40.812 25.800 13.825 1.00 0.42 C ATOM 1141 OG1 THR A 73 -41.378 26.659 14.779 1.00 0.48 O ATOM 1142 CG2 THR A 73 -41.906 25.086 13.051 1.00 0.40 C ATOM 0 H THR A 73 -41.165 23.997 15.617 1.00 0.36 H new ATOM 0 HA THR A 73 -39.160 24.362 13.670 1.00 0.38 H new ATOM 0 HB THR A 73 -40.272 26.373 13.071 1.00 0.42 H new ATOM 0 HG1 THR A 73 -42.276 26.924 14.489 1.00 0.48 H new ATOM 0 HG21 THR A 73 -42.622 25.817 12.675 1.00 0.40 H new ATOM 0 HG22 THR A 73 -41.465 24.545 12.213 1.00 0.40 H new ATOM 0 HG23 THR A 73 -42.417 24.383 13.708 1.00 0.40 H new ATOM 1150 N MET A 74 -38.109 26.737 14.236 1.00 0.45 N ATOM 1151 CA MET A 74 -37.326 27.896 14.669 1.00 0.51 C ATOM 1152 C MET A 74 -38.110 28.836 15.592 1.00 0.60 C ATOM 1153 O MET A 74 -37.548 29.337 16.566 1.00 0.78 O ATOM 1154 CB MET A 74 -36.740 28.719 13.500 1.00 0.63 C ATOM 1155 CG MET A 74 -35.795 27.990 12.533 1.00 0.69 C ATOM 1156 SD MET A 74 -34.573 26.864 13.289 1.00 1.11 S ATOM 1157 CE MET A 74 -33.729 26.101 11.856 1.00 0.59 C ATOM 0 H MET A 74 -38.213 26.682 13.223 1.00 0.45 H new ATOM 0 HA MET A 74 -36.499 27.457 15.227 1.00 0.51 H new ATOM 0 HB2 MET A 74 -37.571 29.122 12.921 1.00 0.63 H new ATOM 0 HB3 MET A 74 -36.203 29.569 13.921 1.00 0.63 H new ATOM 0 HG2 MET A 74 -36.400 27.416 11.831 1.00 0.69 H new ATOM 0 HG3 MET A 74 -35.256 28.739 11.952 1.00 0.69 H new ATOM 0 HE1 MET A 74 -34.039 25.060 11.763 1.00 0.59 H new ATOM 0 HE2 MET A 74 -33.995 26.641 10.947 1.00 0.59 H new ATOM 0 HE3 MET A 74 -32.650 26.146 12.003 1.00 0.59 H new ATOM 1167 N GLY A 75 -39.417 29.015 15.374 1.00 0.57 N ATOM 1168 CA GLY A 75 -40.237 29.814 16.312 1.00 0.65 C ATOM 1169 C GLY A 75 -40.820 28.999 17.474 1.00 0.64 C ATOM 1170 O GLY A 75 -41.350 29.552 18.439 1.00 0.73 O ATOM 0 H GLY A 75 -39.927 28.631 14.579 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -39.626 30.621 16.717 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -41.054 30.279 15.760 1.00 0.65 H new ATOM 1174 N GLY A 76 -40.616 27.684 17.446 1.00 0.56 N ATOM 1175 CA GLY A 76 -40.957 26.699 18.450 1.00 0.57 C ATOM 1176 C GLY A 76 -42.219 25.838 18.303 1.00 0.58 C ATOM 1177 O GLY A 76 -42.699 25.184 19.223 1.00 0.63 O ATOM 0 H GLY A 76 -40.165 27.248 16.641 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -40.111 26.017 18.531 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -41.036 27.224 19.402 1.00 0.57 H new ATOM 1181 N LYS A 77 -42.790 25.762 17.102 1.00 0.54 N ATOM 1182 CA LYS A 77 -44.058 25.176 16.805 1.00 0.56 C ATOM 1183 C LYS A 77 -43.870 23.741 16.347 1.00 0.49 C ATOM 1184 O LYS A 77 -43.032 23.420 15.509 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.694 26.139 15.789 1.00 0.59 C ATOM 1186 CG LYS A 77 -46.067 25.576 15.194 1.00 0.67 C ATOM 1187 CD LYS A 77 -46.819 26.656 14.259 1.00 0.74 C ATOM 1188 CE LYS A 77 -46.100 26.925 12.943 1.00 1.17 C ATOM 1189 NZ LYS A 77 -46.800 28.028 12.263 1.00 1.76 N ATOM 0 H LYS A 77 -42.335 26.138 16.270 1.00 0.54 H new ATOM 0 HA LYS A 77 -44.732 25.073 17.655 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -44.876 27.101 16.269 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -43.993 26.317 14.973 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -45.867 24.675 14.615 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -46.725 25.288 16.014 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -47.828 26.302 14.047 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -46.919 27.593 14.807 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -45.058 27.188 13.124 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -46.099 26.031 12.319 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -46.329 28.233 11.359 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -47.787 27.755 12.085 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -46.779 28.876 12.865 1.00 1.76 H new ATOM 1203 N THR A 78 -44.703 22.852 16.965 1.00 0.50 N ATOM 1204 CA THR A 78 -44.751 21.360 16.726 1.00 0.45 C ATOM 1205 C THR A 78 -45.626 21.072 15.574 1.00 0.44 C ATOM 1206 O THR A 78 -46.772 21.536 15.514 1.00 0.51 O ATOM 1207 CB THR A 78 -45.254 20.540 17.852 1.00 0.50 C ATOM 1208 OG1 THR A 78 -44.484 20.893 19.000 1.00 0.54 O ATOM 1209 CG2 THR A 78 -45.040 19.103 17.664 1.00 0.45 C ATOM 0 H THR A 78 -45.382 23.153 17.664 1.00 0.50 H new ATOM 0 HA THR A 78 -43.708 21.085 16.567 1.00 0.45 H new ATOM 0 HB THR A 78 -46.324 20.728 17.940 1.00 0.50 H new ATOM 0 HG1 THR A 78 -44.789 20.371 19.771 1.00 0.54 H new ATOM 0 HG21 THR A 78 -45.432 18.561 18.525 1.00 0.45 H new ATOM 0 HG22 THR A 78 -45.556 18.773 16.762 1.00 0.45 H new ATOM 0 HG23 THR A 78 -43.973 18.904 17.565 1.00 0.45 H new ATOM 1217 N PHE A 79 -45.170 20.260 14.634 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.999 19.742 13.555 1.00 0.32 C ATOM 1219 C PHE A 79 -45.672 18.287 13.229 1.00 0.30 C ATOM 1220 O PHE A 79 -45.030 17.611 14.039 1.00 0.32 O ATOM 1221 CB PHE A 79 -46.152 20.723 12.365 1.00 0.29 C ATOM 1222 CG PHE A 79 -44.922 21.272 11.647 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -43.775 21.733 12.325 1.00 0.24 C ATOM 1224 CD2 PHE A 79 -44.965 21.393 10.241 1.00 0.27 C ATOM 1225 CE1 PHE A 79 -42.674 22.214 11.607 1.00 0.22 C ATOM 1226 CE2 PHE A 79 -43.877 21.926 9.527 1.00 0.26 C ATOM 1227 CZ PHE A 79 -42.717 22.321 10.210 1.00 0.23 C ATOM 0 H PHE A 79 -44.203 19.938 14.597 1.00 0.35 H new ATOM 0 HA PHE A 79 -47.026 19.689 13.915 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -46.766 20.225 11.615 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -46.722 21.579 12.726 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -43.746 21.715 13.404 1.00 0.24 H new ATOM 0 HD2 PHE A 79 -45.846 21.072 9.706 1.00 0.27 H new ATOM 0 HE1 PHE A 79 -41.779 22.507 12.136 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -43.934 22.031 8.454 1.00 0.26 H new ATOM 0 HZ PHE A 79 -41.866 22.703 9.665 1.00 0.23 H new ATOM 1237 N LYS A 80 -46.266 17.731 12.171 1.00 0.30 N ATOM 1238 CA LYS A 80 -46.203 16.271 11.936 1.00 0.31 C ATOM 1239 C LYS A 80 -45.770 15.949 10.519 1.00 0.27 C ATOM 1240 O LYS A 80 -46.435 16.365 9.573 1.00 0.27 O ATOM 1241 CB LYS A 80 -47.502 15.561 12.368 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.745 15.649 11.465 1.00 0.76 C ATOM 1243 CD LYS A 80 -49.267 17.071 11.214 1.00 0.51 C ATOM 1244 CE LYS A 80 -50.549 16.975 10.379 1.00 1.43 C ATOM 1245 NZ LYS A 80 -51.125 18.312 10.088 1.00 1.96 N ATOM 0 H LYS A 80 -46.790 18.252 11.468 1.00 0.30 H new ATOM 0 HA LYS A 80 -45.424 15.863 12.580 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -47.269 14.505 12.502 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -47.780 15.953 13.346 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -48.511 15.190 10.505 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -49.544 15.059 11.914 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -49.467 17.574 12.160 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -48.517 17.664 10.690 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -50.334 16.461 9.442 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -51.284 16.372 10.912 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -51.990 18.201 9.522 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -51.355 18.793 10.981 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -50.434 18.880 9.557 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.628 15.284 10.385 1.00 0.25 N ATOM 1260 CA ALA A 81 -44.118 14.659 9.201 1.00 0.21 C ATOM 1261 C ALA A 81 -43.121 13.585 9.575 1.00 0.20 C ATOM 1262 O ALA A 81 -42.750 13.428 10.723 1.00 0.22 O ATOM 1263 CB ALA A 81 -43.400 15.638 8.195 1.00 0.19 C ATOM 0 H ALA A 81 -43.994 15.167 11.175 1.00 0.25 H new ATOM 0 HA ALA A 81 -44.997 14.257 8.696 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -43.047 15.076 7.330 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -44.103 16.404 7.868 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -42.552 16.111 8.690 1.00 0.19 H new ATOM 1269 N THR A 82 -42.707 12.750 8.621 1.00 0.19 N ATOM 1270 CA THR A 82 -41.715 11.674 8.793 1.00 0.18 C ATOM 1271 C THR A 82 -40.333 12.326 8.626 1.00 0.16 C ATOM 1272 O THR A 82 -39.965 12.726 7.510 1.00 0.18 O ATOM 1273 CB THR A 82 -41.775 10.575 7.808 1.00 0.23 C ATOM 1274 OG1 THR A 82 -43.115 10.111 7.700 1.00 0.28 O ATOM 1275 CG2 THR A 82 -41.043 9.356 8.293 1.00 0.24 C ATOM 0 H THR A 82 -43.065 12.802 7.667 1.00 0.19 H new ATOM 0 HA THR A 82 -41.917 11.227 9.766 1.00 0.18 H new ATOM 0 HB THR A 82 -41.356 10.973 6.884 1.00 0.23 H new ATOM 0 HG1 THR A 82 -43.157 9.383 7.046 1.00 0.28 H new ATOM 0 HG21 THR A 82 -41.109 8.569 7.542 1.00 0.24 H new ATOM 0 HG22 THR A 82 -39.996 9.605 8.466 1.00 0.24 H new ATOM 0 HG23 THR A 82 -41.492 9.008 9.223 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.526 12.419 9.716 1.00 0.14 N ATOM 1284 CA VAL A 83 -38.154 12.858 9.616 1.00 0.14 C ATOM 1285 C VAL A 83 -37.326 11.716 8.948 1.00 0.15 C ATOM 1286 O VAL A 83 -37.188 10.671 9.539 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.525 13.067 10.985 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -36.123 13.552 10.731 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -38.465 13.989 11.732 1.00 0.17 C ATOM 0 H VAL A 83 -39.825 12.190 10.664 1.00 0.14 H new ATOM 0 HA VAL A 83 -38.148 13.792 9.053 1.00 0.14 H new ATOM 0 HB VAL A 83 -37.411 12.189 11.621 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.618 13.721 11.682 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.577 12.802 10.158 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -36.157 14.485 10.168 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -38.070 14.181 12.730 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -38.557 14.931 11.191 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -39.446 13.520 11.814 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.863 11.956 7.709 1.00 0.14 N ATOM 1300 CA GLN A 84 -36.144 10.928 6.967 1.00 0.15 C ATOM 1301 C GLN A 84 -34.677 11.049 7.151 1.00 0.15 C ATOM 1302 O GLN A 84 -34.119 12.112 7.442 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.511 10.969 5.483 1.00 0.17 C ATOM 1304 CG GLN A 84 -37.866 10.352 5.052 1.00 0.19 C ATOM 1305 CD GLN A 84 -38.312 10.629 3.564 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -37.796 11.461 2.896 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -39.418 10.031 3.105 1.00 0.52 N ATOM 0 H GLN A 84 -36.975 12.841 7.214 1.00 0.14 H new ATOM 0 HA GLN A 84 -36.448 9.961 7.368 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -36.503 12.012 5.165 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -35.721 10.461 4.929 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -37.814 9.273 5.200 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -38.642 10.728 5.719 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -39.878 9.312 3.663 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -39.800 10.294 2.197 1.00 0.52 H new ATOM 1316 N MET A 85 -33.952 9.940 6.952 1.00 0.16 N ATOM 1317 CA MET A 85 -32.487 9.922 7.042 1.00 0.17 C ATOM 1318 C MET A 85 -31.855 9.094 5.929 1.00 0.20 C ATOM 1319 O MET A 85 -32.109 7.896 5.840 1.00 0.22 O ATOM 1320 CB MET A 85 -32.044 9.466 8.433 1.00 0.21 C ATOM 1321 CG MET A 85 -30.532 9.600 8.636 1.00 0.21 C ATOM 1322 SD MET A 85 -30.010 9.359 10.355 1.00 0.23 S ATOM 1323 CE MET A 85 -28.262 9.800 10.214 1.00 0.19 C ATOM 0 H MET A 85 -34.363 9.034 6.725 1.00 0.16 H new ATOM 0 HA MET A 85 -32.126 10.940 6.897 1.00 0.17 H new ATOM 0 HB2 MET A 85 -32.563 10.056 9.188 1.00 0.21 H new ATOM 0 HB3 MET A 85 -32.337 8.427 8.583 1.00 0.21 H new ATOM 0 HG2 MET A 85 -30.023 8.872 8.004 1.00 0.21 H new ATOM 0 HG3 MET A 85 -30.215 10.588 8.303 1.00 0.21 H new ATOM 0 HE1 MET A 85 -27.817 9.844 11.208 1.00 0.19 H new ATOM 0 HE2 MET A 85 -27.744 9.049 9.618 1.00 0.19 H new ATOM 0 HE3 MET A 85 -28.170 10.773 9.731 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.033 9.719 5.083 1.00 0.26 N ATOM 1334 CA GLU A 86 -30.651 9.112 3.802 1.00 0.31 C ATOM 1335 C GLU A 86 -29.193 9.424 3.452 1.00 0.31 C ATOM 1336 O GLU A 86 -28.863 10.560 3.129 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.576 9.636 2.694 1.00 0.40 C ATOM 1338 CG GLU A 86 -33.052 9.222 2.813 1.00 0.41 C ATOM 1339 CD GLU A 86 -33.915 9.796 1.677 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -33.398 10.650 0.912 1.00 1.53 O ATOM 1341 OE2 GLU A 86 -35.112 9.454 1.646 1.00 1.35 O ATOM 0 H GLU A 86 -30.622 10.636 5.257 1.00 0.26 H new ATOM 0 HA GLU A 86 -30.752 8.030 3.890 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -31.522 10.725 2.684 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -31.196 9.289 1.733 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -33.123 8.134 2.806 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -33.445 9.561 3.771 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.291 8.451 3.629 1.00 0.36 N ATOM 1349 CA GLY A 87 -26.823 8.641 3.429 1.00 0.43 C ATOM 1350 C GLY A 87 -26.193 9.369 4.581 1.00 0.50 C ATOM 1351 O GLY A 87 -25.023 9.797 4.596 1.00 1.05 O ATOM 0 H GLY A 87 -28.544 7.505 3.915 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -26.344 7.669 3.307 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.651 9.199 2.509 1.00 0.43 H new ATOM 1355 N GLY A 88 -27.010 9.658 5.656 1.00 0.30 N ATOM 1356 CA GLY A 88 -26.566 10.438 6.732 1.00 0.25 C ATOM 1357 C GLY A 88 -26.914 11.931 6.508 1.00 0.24 C ATOM 1358 O GLY A 88 -26.275 12.867 6.952 1.00 0.36 O ATOM 0 H GLY A 88 -27.973 9.332 5.742 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -27.026 10.087 7.656 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -25.488 10.325 6.849 1.00 0.25 H new ATOM 1362 N LYS A 89 -27.885 12.228 5.624 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.590 13.530 5.594 1.00 0.18 C ATOM 1364 C LYS A 89 -29.901 13.406 6.362 1.00 0.15 C ATOM 1365 O LYS A 89 -30.518 12.344 6.297 1.00 0.16 O ATOM 1366 CB LYS A 89 -28.785 14.042 4.150 1.00 0.22 C ATOM 1367 CG LYS A 89 -30.063 13.569 3.445 1.00 0.26 C ATOM 1368 CD LYS A 89 -30.013 13.846 1.936 1.00 0.60 C ATOM 1369 CE LYS A 89 -31.316 13.364 1.282 1.00 1.62 C ATOM 1370 NZ LYS A 89 -31.139 12.082 0.561 1.00 2.70 N ATOM 0 H LYS A 89 -28.205 11.574 4.909 1.00 0.19 H new ATOM 0 HA LYS A 89 -27.978 14.285 6.087 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -28.783 15.132 4.167 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -27.927 13.731 3.554 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -30.199 12.501 3.615 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -30.926 14.073 3.879 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -29.876 14.912 1.756 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -29.160 13.335 1.490 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -32.083 13.245 2.048 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -31.674 14.123 0.587 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -31.997 11.504 0.665 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -30.969 12.271 -0.447 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -30.326 11.569 0.959 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.368 14.463 7.020 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.690 14.530 7.663 1.00 0.15 C ATOM 1386 C LEU A 90 -32.633 15.454 6.883 1.00 0.15 C ATOM 1387 O LEU A 90 -32.194 16.474 6.365 1.00 0.19 O ATOM 1388 CB LEU A 90 -31.547 15.017 9.110 1.00 0.18 C ATOM 1389 CG LEU A 90 -30.802 14.058 10.049 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -30.480 14.805 11.335 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -31.657 12.843 10.408 1.00 0.18 C ATOM 0 H LEU A 90 -29.829 15.322 7.127 1.00 0.16 H new ATOM 0 HA LEU A 90 -32.121 13.529 7.665 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -31.025 15.974 9.105 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -32.542 15.198 9.516 1.00 0.18 H new ATOM 0 HG LEU A 90 -29.901 13.711 9.543 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -29.950 14.142 12.018 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -29.854 15.668 11.108 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -31.406 15.142 11.802 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -31.096 12.187 11.074 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -32.568 13.174 10.907 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -31.918 12.300 9.499 1.00 0.18 H new ATOM 1403 N VAL A 91 -33.899 15.065 6.722 1.00 0.15 N ATOM 1404 CA VAL A 91 -34.772 15.571 5.653 1.00 0.16 C ATOM 1405 C VAL A 91 -36.238 15.496 6.071 1.00 0.16 C ATOM 1406 O VAL A 91 -36.660 14.548 6.724 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.472 14.823 4.321 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -33.939 13.389 4.435 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -35.624 14.821 3.304 1.00 0.23 C ATOM 0 H VAL A 91 -34.354 14.386 7.332 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.562 16.626 5.477 1.00 0.16 H new ATOM 0 HB VAL A 91 -33.657 15.447 3.954 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -33.772 12.983 3.438 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -32.999 13.393 4.988 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -34.667 12.771 4.961 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -35.319 14.277 2.410 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.497 14.338 3.744 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -35.874 15.847 3.036 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.049 16.461 5.617 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.515 16.360 5.665 1.00 0.17 C ATOM 1421 C VAL A 92 -39.095 16.800 4.417 1.00 0.17 C ATOM 1422 O VAL A 92 -38.483 17.544 3.605 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.255 17.058 6.824 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -39.148 16.223 8.157 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -38.725 18.498 6.974 1.00 0.65 C ATOM 0 H VAL A 92 -36.709 17.331 5.207 1.00 0.16 H new ATOM 0 HA VAL A 92 -38.664 15.296 5.852 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.319 17.116 6.596 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -39.680 16.742 8.955 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -39.591 15.238 8.006 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -38.099 16.111 8.433 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -39.246 18.994 7.793 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -37.656 18.472 7.187 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -38.897 19.047 6.048 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.293 16.289 4.118 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.112 16.715 2.945 1.00 0.21 C ATOM 1437 C ASN A 93 -42.542 16.995 3.440 1.00 0.22 C ATOM 1438 O ASN A 93 -43.220 16.254 4.106 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.265 15.534 1.960 1.00 0.30 C ATOM 1440 CG ASN A 93 -39.927 14.819 1.620 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -38.935 15.438 1.147 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -39.891 13.564 2.051 1.00 1.06 N ATOM 0 H ASN A 93 -40.738 15.562 4.678 1.00 0.20 H new ATOM 0 HA ASN A 93 -40.636 17.577 2.478 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -41.956 14.806 2.385 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -41.715 15.900 1.037 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -39.019 13.036 2.011 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -40.735 13.128 2.422 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.017 18.204 3.229 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.430 18.562 3.292 1.00 0.19 C ATOM 1451 C PHE A 94 -44.822 18.927 1.864 1.00 0.22 C ATOM 1452 O PHE A 94 -43.941 19.263 1.073 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.644 19.729 4.265 1.00 0.20 C ATOM 1454 CG PHE A 94 -44.225 19.471 5.699 1.00 0.19 C ATOM 1455 CD1 PHE A 94 -42.872 19.570 6.080 1.00 0.17 C ATOM 1456 CD2 PHE A 94 -45.194 19.145 6.665 1.00 0.21 C ATOM 1457 CE1 PHE A 94 -42.499 19.362 7.420 1.00 0.17 C ATOM 1458 CE2 PHE A 94 -44.819 18.933 8.003 1.00 0.21 C ATOM 1459 CZ PHE A 94 -43.470 19.042 8.383 1.00 0.20 C ATOM 0 H PHE A 94 -42.415 18.995 3.001 1.00 0.17 H new ATOM 0 HA PHE A 94 -45.049 17.746 3.666 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -44.093 20.593 3.894 1.00 0.20 H new ATOM 0 HB3 PHE A 94 -45.701 19.997 4.257 1.00 0.20 H new ATOM 0 HD1 PHE A 94 -42.120 19.806 5.342 1.00 0.17 H new ATOM 0 HD2 PHE A 94 -46.231 19.057 6.377 1.00 0.21 H new ATOM 0 HE1 PHE A 94 -41.462 19.449 7.710 1.00 0.17 H new ATOM 0 HE2 PHE A 94 -45.569 18.686 8.740 1.00 0.21 H new ATOM 0 HZ PHE A 94 -43.181 18.880 9.411 1.00 0.20 H new ATOM 1469 N PRO A 95 -46.121 19.028 1.549 1.00 0.25 N ATOM 1470 CA PRO A 95 -46.562 19.426 0.248 1.00 0.29 C ATOM 1471 C PRO A 95 -45.926 20.673 -0.279 1.00 0.30 C ATOM 1472 O PRO A 95 -45.682 20.655 -1.505 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.092 19.545 0.338 1.00 0.38 C ATOM 1474 CG PRO A 95 -48.443 18.493 1.298 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.281 18.535 2.315 1.00 0.32 C ATOM 0 HA PRO A 95 -46.252 18.677 -0.481 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -48.401 20.530 0.686 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -48.568 19.385 -0.629 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.403 18.689 1.776 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -48.520 17.518 0.816 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.512 19.196 3.151 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.087 17.547 2.733 1.00 0.32 H new ATOM 1483 N ASN A 96 -45.702 21.685 0.575 1.00 0.33 N ATOM 1484 CA ASN A 96 -45.073 22.900 0.234 1.00 0.45 C ATOM 1485 C ASN A 96 -43.588 22.973 0.737 1.00 0.50 C ATOM 1486 O ASN A 96 -42.779 23.735 0.180 1.00 0.90 O ATOM 1487 CB ASN A 96 -45.894 24.093 0.832 1.00 0.63 C ATOM 1488 CG ASN A 96 -45.940 24.131 2.302 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -45.892 23.077 2.941 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -45.983 25.352 2.939 1.00 0.77 N ATOM 0 H ASN A 96 -45.979 21.643 1.556 1.00 0.33 H new ATOM 0 HA ASN A 96 -45.045 22.962 -0.854 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -45.466 25.028 0.471 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -46.914 24.041 0.451 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -45.975 25.396 3.958 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -46.022 26.212 2.392 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.238 22.325 1.851 1.00 0.26 N ATOM 1498 CA TYR A 97 -41.930 22.505 2.497 1.00 0.23 C ATOM 1499 C TYR A 97 -40.988 21.313 2.320 1.00 0.20 C ATOM 1500 O TYR A 97 -41.386 20.190 2.580 1.00 0.22 O ATOM 1501 CB TYR A 97 -42.062 22.966 3.959 1.00 0.00 C ATOM 1502 CG TYR A 97 -40.714 23.137 4.630 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -39.828 24.095 4.106 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -40.305 22.326 5.707 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -38.522 24.222 4.601 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -39.012 22.480 6.233 1.00 0.00 C ATOM 1507 CZ TYR A 97 -38.115 23.416 5.677 1.00 0.00 C ATOM 1508 OH TYR A 97 -36.873 23.539 6.195 1.00 0.00 O ATOM 0 H TYR A 97 -43.848 21.663 2.331 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.443 23.320 1.962 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -42.605 23.911 3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -42.653 22.239 4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -40.159 24.744 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -40.979 21.593 6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -37.837 24.931 4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -38.701 21.875 7.072 1.00 0.00 H new ATOM 0 HH TYR A 97 -36.892 23.312 7.148 1.00 0.00 H new ATOM 1518 N HIS A 98 -39.703 21.524 2.049 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.706 20.490 2.013 1.00 0.18 C ATOM 1520 C HIS A 98 -37.412 20.891 2.771 1.00 0.19 C ATOM 1521 O HIS A 98 -36.888 21.968 2.618 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.403 19.912 0.571 1.00 0.21 C ATOM 1523 CG HIS A 98 -37.105 19.129 0.456 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -36.952 17.798 0.739 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -35.845 19.581 0.163 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -35.691 17.474 0.667 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -35.001 18.489 0.303 1.00 0.34 N ATOM 0 H HIS A 98 -39.329 22.451 1.844 1.00 0.18 H new ATOM 0 HA HIS A 98 -39.156 19.657 2.553 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.228 19.265 0.274 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -38.375 20.739 -0.138 1.00 0.21 H new ATOM 0 HD1 HIS A 98 -37.710 17.157 0.971 1.00 0.31 H new ATOM 0 HD2 HIS A 98 -35.565 20.585 -0.120 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -35.289 16.495 0.882 1.00 0.36 H new ATOM 1535 N GLN A 99 -36.845 20.053 3.644 1.00 0.22 N ATOM 1536 CA GLN A 99 -35.588 20.348 4.381 1.00 0.29 C ATOM 1537 C GLN A 99 -34.534 19.282 4.085 1.00 0.20 C ATOM 1538 O GLN A 99 -34.924 18.141 3.855 1.00 0.26 O ATOM 1539 CB GLN A 99 -35.839 20.407 5.900 1.00 0.55 C ATOM 1540 CG GLN A 99 -34.703 21.085 6.706 1.00 0.55 C ATOM 1541 CD GLN A 99 -34.037 20.167 7.712 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -33.415 19.117 7.228 1.00 1.48 O flip ATOM 1543 NE2 GLN A 99 -33.986 20.252 8.933 1.00 0.42 N flip ATOM 0 H GLN A 99 -37.240 19.140 3.869 1.00 0.22 H new ATOM 0 HA GLN A 99 -35.227 21.320 4.045 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -36.769 20.945 6.082 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -35.979 19.393 6.273 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -33.949 21.457 6.012 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -35.108 21.951 7.230 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -34.438 21.032 9.409 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -33.491 19.542 9.473 1.00 0.42 H new ATOM 1552 N THR A 100 -33.243 19.619 4.211 1.00 0.22 N ATOM 1553 CA THR A 100 -32.163 18.737 4.008 1.00 0.21 C ATOM 1554 C THR A 100 -30.841 19.118 4.561 1.00 0.24 C ATOM 1555 O THR A 100 -30.189 19.944 4.018 1.00 0.40 O ATOM 1556 CB THR A 100 -31.827 18.426 2.485 1.00 0.22 C ATOM 1557 OG1 THR A 100 -32.584 19.161 1.570 1.00 0.26 O ATOM 1558 CG2 THR A 100 -32.245 16.945 2.205 1.00 0.21 C ATOM 0 H THR A 100 -32.946 20.560 4.469 1.00 0.22 H new ATOM 0 HA THR A 100 -32.578 17.889 4.552 1.00 0.21 H new ATOM 0 HB THR A 100 -30.770 18.659 2.357 1.00 0.22 H new ATOM 0 HG1 THR A 100 -33.356 18.630 1.284 1.00 0.26 H new ATOM 0 HG21 THR A 100 -32.028 16.696 1.166 1.00 0.21 H new ATOM 0 HG22 THR A 100 -31.686 16.279 2.862 1.00 0.21 H new ATOM 0 HG23 THR A 100 -33.312 16.827 2.391 1.00 0.21 H new ATOM 1566 N SER A 101 -30.303 18.360 5.518 1.00 0.21 N ATOM 1567 CA SER A 101 -29.119 18.787 6.274 1.00 0.27 C ATOM 1568 C SER A 101 -28.096 17.662 6.437 1.00 0.27 C ATOM 1569 O SER A 101 -28.462 16.567 6.866 1.00 0.46 O ATOM 1570 CB SER A 101 -29.560 19.292 7.643 1.00 0.42 C ATOM 1571 OG SER A 101 -30.558 20.287 7.525 1.00 1.24 O ATOM 0 H SER A 101 -30.667 17.447 5.790 1.00 0.21 H new ATOM 0 HA SER A 101 -28.630 19.583 5.713 1.00 0.27 H new ATOM 0 HB2 SER A 101 -29.941 18.460 8.235 1.00 0.42 H new ATOM 0 HB3 SER A 101 -28.701 19.697 8.178 1.00 0.42 H new ATOM 0 HG SER A 101 -30.256 21.107 7.968 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.821 17.952 6.159 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.699 17.034 6.154 1.00 0.27 C ATOM 1579 C GLU A 102 -24.375 17.589 6.313 1.00 0.20 C ATOM 1580 O GLU A 102 -24.149 18.785 6.365 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.743 16.097 4.937 1.00 0.43 C ATOM 1582 CG GLU A 102 -25.475 16.855 3.607 1.00 0.81 C ATOM 1583 CD GLU A 102 -25.518 15.918 2.408 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -24.652 14.989 2.442 1.00 1.67 O ATOM 1585 OE2 GLU A 102 -26.340 16.105 1.427 1.00 1.55 O ATOM 0 H GLU A 102 -26.536 18.901 5.916 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.854 16.478 7.079 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -25.001 15.308 5.060 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -26.718 15.613 4.888 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -26.218 17.642 3.481 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -24.500 17.341 3.655 1.00 0.81 H new ATOM 1592 N ILE A 103 -23.382 16.750 6.716 1.00 0.19 N ATOM 1593 CA ILE A 103 -22.021 17.228 7.036 1.00 0.21 C ATOM 1594 C ILE A 103 -21.061 17.100 5.850 1.00 0.26 C ATOM 1595 O ILE A 103 -21.124 16.080 5.120 1.00 0.28 O ATOM 1596 CB ILE A 103 -21.469 16.649 8.369 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -20.411 17.497 9.104 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -20.921 15.233 8.237 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -18.904 17.286 8.728 1.00 0.21 C ATOM 0 H ILE A 103 -23.505 15.743 6.825 1.00 0.19 H new ATOM 0 HA ILE A 103 -22.105 18.299 7.220 1.00 0.21 H new ATOM 0 HB ILE A 103 -22.372 16.658 8.980 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -20.652 18.547 8.939 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -20.517 17.310 10.173 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -20.553 14.893 9.205 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -21.713 14.567 7.896 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -20.104 15.225 7.515 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -18.283 17.951 9.328 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -18.622 16.252 8.924 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -18.758 17.508 7.671 1.00 0.21 H new ATOM 1611 N VAL A 104 -20.180 18.066 5.664 1.00 0.32 N ATOM 1612 CA VAL A 104 -19.276 17.960 4.522 1.00 0.41 C ATOM 1613 C VAL A 104 -17.884 18.372 5.042 1.00 0.48 C ATOM 1614 O VAL A 104 -17.671 19.502 5.507 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.693 18.919 3.339 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -18.639 18.998 2.194 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -21.016 18.531 2.623 1.00 0.45 C ATOM 0 H VAL A 104 -20.068 18.893 6.251 1.00 0.32 H new ATOM 0 HA VAL A 104 -19.297 16.945 4.125 1.00 0.41 H new ATOM 0 HB VAL A 104 -19.798 19.868 3.864 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -18.995 19.675 1.418 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -17.695 19.368 2.593 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -18.489 18.006 1.769 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -21.221 19.246 1.826 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -20.920 17.532 2.199 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.836 18.543 3.341 1.00 0.45 H new ATOM 1627 N GLY A 105 -16.937 17.508 5.092 1.00 0.56 N ATOM 1628 CA GLY A 105 -15.617 17.626 5.791 1.00 0.63 C ATOM 1629 C GLY A 105 -15.656 17.841 7.235 1.00 0.59 C ATOM 1630 O GLY A 105 -15.758 16.880 8.021 1.00 0.68 O ATOM 0 H GLY A 105 -17.028 16.609 4.620 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -15.047 16.717 5.598 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -15.065 18.450 5.339 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.461 19.101 7.737 1.00 0.52 N ATOM 1635 CA ASP A 106 -15.708 19.385 9.140 1.00 0.50 C ATOM 1636 C ASP A 106 -16.894 20.353 9.256 1.00 0.40 C ATOM 1637 O ASP A 106 -17.495 20.568 10.327 1.00 0.44 O ATOM 1638 CB ASP A 106 -14.453 20.065 9.663 1.00 0.58 C ATOM 1639 CG ASP A 106 -14.376 20.031 11.211 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -14.495 18.899 11.732 1.00 2.30 O ATOM 1641 OD2 ASP A 106 -14.170 21.076 11.885 1.00 2.11 O ATOM 0 H ASP A 106 -15.142 19.899 7.187 1.00 0.52 H new ATOM 0 HA ASP A 106 -15.937 18.479 9.701 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -13.574 19.574 9.245 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -14.432 21.100 9.322 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.332 20.899 8.095 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.299 21.945 8.017 1.00 0.25 C ATOM 1648 C LYS A 107 -19.730 21.312 7.904 1.00 0.23 C ATOM 1649 O LYS A 107 -19.996 20.335 7.263 1.00 0.30 O ATOM 1650 CB LYS A 107 -18.090 22.770 6.774 1.00 0.28 C ATOM 1651 CG LYS A 107 -16.807 23.561 6.990 1.00 0.47 C ATOM 1652 CD LYS A 107 -16.647 24.737 6.015 1.00 1.21 C ATOM 1653 CE LYS A 107 -15.423 25.688 6.199 1.00 1.65 C ATOM 1654 NZ LYS A 107 -15.396 26.716 5.116 1.00 2.27 N ATOM 0 H LYS A 107 -16.995 20.594 7.182 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.198 22.567 8.906 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -18.009 22.132 5.894 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -18.934 23.439 6.606 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -16.790 23.940 8.012 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -15.953 22.892 6.884 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -16.602 24.328 5.005 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -17.551 25.343 6.074 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -15.477 26.177 7.172 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -14.499 25.110 6.183 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -14.576 27.342 5.251 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -15.323 26.245 4.192 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -16.270 27.279 5.150 1.00 2.27 H new ATOM 1668 N LEU A 108 -20.760 21.988 8.378 1.00 0.20 N ATOM 1669 CA LEU A 108 -22.063 21.357 8.584 1.00 0.19 C ATOM 1670 C LEU A 108 -23.200 22.124 7.886 1.00 0.20 C ATOM 1671 O LEU A 108 -23.339 23.328 8.094 1.00 0.24 O ATOM 1672 CB LEU A 108 -22.131 21.100 10.095 1.00 0.22 C ATOM 1673 CG LEU A 108 -23.344 20.316 10.557 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -23.784 19.185 9.631 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -23.120 19.708 11.931 1.00 0.60 C ATOM 0 H LEU A 108 -20.726 22.976 8.630 1.00 0.20 H new ATOM 0 HA LEU A 108 -22.199 20.394 8.091 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -21.232 20.562 10.398 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -22.118 22.059 10.613 1.00 0.22 H new ATOM 0 HG LEU A 108 -24.135 21.065 10.565 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -24.658 18.689 10.053 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -24.035 19.593 8.652 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -22.973 18.464 9.526 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -24.008 19.153 12.232 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -22.265 19.033 11.895 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -22.926 20.501 12.653 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.782 21.499 6.852 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.379 22.155 5.707 1.00 0.22 C ATOM 1689 C VAL A 109 -25.858 21.709 5.541 1.00 0.22 C ATOM 1690 O VAL A 109 -26.353 20.642 5.917 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.632 21.867 4.422 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -24.118 22.724 3.200 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -22.149 22.292 4.657 1.00 0.87 C ATOM 0 H VAL A 109 -23.846 20.482 6.800 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.326 23.227 5.897 1.00 0.22 H new ATOM 0 HB VAL A 109 -23.786 20.813 4.191 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -23.536 22.461 2.317 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -25.173 22.524 3.012 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -23.983 23.783 3.421 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -21.569 22.102 3.754 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -22.109 23.354 4.898 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -21.732 21.717 5.484 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.640 22.624 4.940 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.050 22.396 4.636 1.00 0.25 C ATOM 1705 C GLU A 110 -28.462 23.070 3.335 1.00 0.28 C ATOM 1706 O GLU A 110 -28.075 24.203 3.061 1.00 0.52 O ATOM 1707 CB GLU A 110 -28.909 22.814 5.839 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.408 22.985 5.567 1.00 0.52 C ATOM 1709 CD GLU A 110 -31.233 23.378 6.794 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -30.713 23.420 7.923 1.00 2.07 O ATOM 1711 OE2 GLU A 110 -32.307 23.971 6.550 1.00 2.06 O ATOM 0 H GLU A 110 -26.303 23.543 4.654 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.216 21.332 4.469 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -28.785 22.069 6.625 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.521 23.755 6.228 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -30.541 23.745 4.797 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -30.801 22.051 5.164 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.423 22.466 2.645 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.287 23.068 1.571 1.00 0.21 C ATOM 1720 C VAL A 111 -31.709 22.731 1.937 1.00 0.20 C ATOM 1721 O VAL A 111 -32.016 21.547 2.271 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.904 22.557 0.181 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.799 21.044 0.115 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -30.775 23.202 -0.915 1.00 0.25 C ATOM 0 H VAL A 111 -29.653 21.486 2.810 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.153 24.148 1.517 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.887 22.890 -0.029 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -29.525 20.742 -0.896 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.037 20.701 0.815 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.760 20.601 0.378 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -30.477 22.817 -1.890 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -31.823 22.962 -0.735 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -30.642 24.284 -0.896 1.00 0.25 H new ATOM 1734 N SER A 112 -32.614 23.711 1.863 1.00 0.19 N ATOM 1735 CA SER A 112 -34.063 23.459 2.270 1.00 0.20 C ATOM 1736 C SER A 112 -35.001 24.338 1.387 1.00 0.17 C ATOM 1737 O SER A 112 -34.496 25.283 0.732 1.00 0.17 O ATOM 1738 CB SER A 112 -34.230 23.942 3.657 1.00 0.27 C ATOM 1739 OG SER A 112 -33.397 23.078 4.463 1.00 0.87 O ATOM 0 H SER A 112 -32.415 24.659 1.544 1.00 0.19 H new ATOM 0 HA SER A 112 -34.299 22.400 2.164 1.00 0.20 H new ATOM 0 HB2 SER A 112 -33.923 24.984 3.751 1.00 0.27 H new ATOM 0 HB3 SER A 112 -35.273 23.887 3.970 1.00 0.27 H new ATOM 0 HG SER A 112 -33.144 23.544 5.287 1.00 0.87 H new ATOM 1745 N THR A 113 -36.312 24.136 1.334 1.00 0.17 N ATOM 1746 CA THR A 113 -37.203 24.680 0.300 1.00 0.15 C ATOM 1747 C THR A 113 -38.626 24.868 0.813 1.00 0.13 C ATOM 1748 O THR A 113 -39.194 23.901 1.280 1.00 0.14 O ATOM 1749 CB THR A 113 -37.230 23.759 -0.941 1.00 0.19 C ATOM 1750 OG1 THR A 113 -35.936 23.386 -1.364 1.00 0.26 O ATOM 1751 CG2 THR A 113 -37.967 24.292 -2.168 1.00 0.17 C ATOM 0 H THR A 113 -36.805 23.573 2.027 1.00 0.17 H new ATOM 0 HA THR A 113 -36.804 25.656 0.025 1.00 0.15 H new ATOM 0 HB THR A 113 -37.796 22.907 -0.565 1.00 0.19 H new ATOM 0 HG1 THR A 113 -35.572 24.079 -1.954 1.00 0.26 H new ATOM 0 HG21 THR A 113 -37.916 23.557 -2.971 1.00 0.17 H new ATOM 0 HG22 THR A 113 -39.010 24.479 -1.913 1.00 0.17 H new ATOM 0 HG23 THR A 113 -37.502 25.221 -2.497 1.00 0.17 H new ATOM 1759 N ILE A 114 -39.306 25.990 0.581 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.778 26.098 0.733 1.00 0.12 C ATOM 1761 C ILE A 114 -41.385 26.452 -0.604 1.00 0.14 C ATOM 1762 O ILE A 114 -40.994 27.468 -1.169 1.00 0.15 O ATOM 1763 CB ILE A 114 -41.288 27.142 1.764 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -40.263 27.635 2.785 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -42.531 26.593 2.484 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -39.312 28.683 2.212 1.00 0.27 C ATOM 0 H ILE A 114 -38.862 26.858 0.281 1.00 0.12 H new ATOM 0 HA ILE A 114 -41.084 25.123 1.112 1.00 0.12 H new ATOM 0 HB ILE A 114 -41.527 28.026 1.173 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -40.786 28.057 3.643 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -39.684 26.787 3.150 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -42.887 27.327 3.207 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -43.315 26.393 1.754 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -42.273 25.669 3.002 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -38.607 28.995 2.983 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -38.765 28.257 1.371 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -39.884 29.546 1.872 1.00 0.27 H new ATOM 1778 N GLY A 115 -42.428 25.757 -1.071 1.00 0.16 N ATOM 1779 CA GLY A 115 -43.238 26.292 -2.230 1.00 0.19 C ATOM 1780 C GLY A 115 -42.355 26.396 -3.504 1.00 0.21 C ATOM 1781 O GLY A 115 -42.690 27.258 -4.316 1.00 0.29 O ATOM 0 H GLY A 115 -42.741 24.860 -0.701 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -44.088 25.637 -2.421 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.642 27.273 -1.978 1.00 0.19 H new ATOM 1785 N GLY A 116 -41.220 25.705 -3.573 1.00 0.17 N ATOM 1786 CA GLY A 116 -40.284 25.820 -4.685 1.00 0.19 C ATOM 1787 C GLY A 116 -39.254 26.945 -4.564 1.00 0.18 C ATOM 1788 O GLY A 116 -38.266 26.863 -5.287 1.00 0.21 O ATOM 0 H GLY A 116 -40.923 25.046 -2.854 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -39.753 24.874 -4.789 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -40.853 25.969 -5.603 1.00 0.19 H new ATOM 1792 N VAL A 117 -39.307 27.872 -3.589 1.00 0.15 N ATOM 1793 CA VAL A 117 -38.069 28.654 -3.219 1.00 0.15 C ATOM 1794 C VAL A 117 -37.162 27.945 -2.219 1.00 0.14 C ATOM 1795 O VAL A 117 -37.615 27.296 -1.278 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.379 30.121 -2.854 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -39.454 30.072 -1.800 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -37.197 30.922 -2.380 1.00 0.16 C ATOM 0 H VAL A 117 -40.143 28.105 -3.053 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.471 28.699 -4.129 1.00 0.15 H new ATOM 0 HB VAL A 117 -38.695 30.644 -3.757 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -39.716 31.087 -1.500 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -40.336 29.573 -2.202 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -39.089 29.521 -0.933 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.516 31.938 -2.148 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -36.779 30.460 -1.486 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -36.438 30.949 -3.162 1.00 0.16 H new ATOM 1808 N THR A 118 -35.841 28.126 -2.348 1.00 0.13 N ATOM 1809 CA THR A 118 -34.794 27.386 -1.608 1.00 0.14 C ATOM 1810 C THR A 118 -33.858 28.343 -0.843 1.00 0.18 C ATOM 1811 O THR A 118 -33.535 29.412 -1.357 1.00 0.26 O ATOM 1812 CB THR A 118 -33.995 26.528 -2.611 1.00 0.20 C ATOM 1813 OG1 THR A 118 -34.812 25.484 -3.097 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.727 25.853 -2.093 1.00 0.27 C ATOM 0 H THR A 118 -35.452 28.815 -2.992 1.00 0.13 H new ATOM 0 HA THR A 118 -35.268 26.745 -0.865 1.00 0.14 H new ATOM 0 HB THR A 118 -33.685 27.255 -3.361 1.00 0.20 H new ATOM 0 HG1 THR A 118 -34.304 24.941 -3.735 1.00 0.26 H new ATOM 0 HG21 THR A 118 -32.264 25.283 -2.898 1.00 0.27 H new ATOM 0 HG22 THR A 118 -32.030 26.612 -1.738 1.00 0.27 H new ATOM 0 HG23 THR A 118 -32.981 25.182 -1.273 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.316 27.879 0.292 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.209 28.480 1.058 1.00 0.24 C ATOM 1824 C TYR A 119 -31.095 27.477 1.392 1.00 0.23 C ATOM 1825 O TYR A 119 -31.395 26.408 1.924 1.00 0.29 O ATOM 1826 CB TYR A 119 -32.764 29.304 2.252 1.00 0.43 C ATOM 1827 CG TYR A 119 -31.895 29.899 3.372 1.00 0.31 C ATOM 1828 CD1 TYR A 119 -30.496 30.073 3.293 1.00 0.27 C ATOM 1829 CD2 TYR A 119 -32.554 30.431 4.494 1.00 0.44 C ATOM 1830 CE1 TYR A 119 -29.783 30.711 4.331 1.00 0.33 C ATOM 1831 CE2 TYR A 119 -31.859 31.092 5.525 1.00 0.51 C ATOM 1832 CZ TYR A 119 -30.465 31.229 5.449 1.00 0.44 C ATOM 1833 OH TYR A 119 -29.780 31.876 6.425 1.00 0.60 O ATOM 0 H TYR A 119 -33.658 27.023 0.728 1.00 0.18 H new ATOM 0 HA TYR A 119 -31.690 29.199 0.425 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -33.310 30.140 1.815 1.00 0.43 H new ATOM 0 HB3 TYR A 119 -33.498 28.667 2.745 1.00 0.43 H new ATOM 0 HD1 TYR A 119 -29.963 29.713 2.425 1.00 0.27 H new ATOM 0 HD2 TYR A 119 -33.627 30.330 4.568 1.00 0.44 H new ATOM 0 HE1 TYR A 119 -28.709 30.802 4.267 1.00 0.33 H new ATOM 0 HE2 TYR A 119 -32.397 31.492 6.371 1.00 0.51 H new ATOM 0 HH TYR A 119 -30.394 32.448 6.932 1.00 0.60 H new ATOM 1843 N GLU A 120 -29.855 27.742 0.959 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.698 26.828 1.203 1.00 0.38 C ATOM 1845 C GLU A 120 -27.862 27.541 2.153 1.00 0.55 C ATOM 1846 O GLU A 120 -27.780 28.766 2.168 1.00 0.78 O ATOM 1847 CB GLU A 120 -28.004 26.462 -0.180 1.00 0.46 C ATOM 1848 CG GLU A 120 -26.907 25.369 -0.074 1.00 0.57 C ATOM 1849 CD GLU A 120 -26.161 25.047 -1.357 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -25.736 25.982 -2.031 1.00 0.88 O ATOM 1851 OE2 GLU A 120 -26.036 23.833 -1.667 1.00 0.73 O ATOM 0 H GLU A 120 -29.613 28.582 0.434 1.00 0.33 H new ATOM 0 HA GLU A 120 -28.962 25.858 1.624 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -28.769 26.126 -0.879 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -27.562 27.365 -0.601 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.181 25.683 0.676 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -27.369 24.453 0.294 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.128 26.833 3.020 1.00 0.54 N ATOM 1859 CA ARG A 121 -26.427 27.443 4.169 1.00 0.74 C ATOM 1860 C ARG A 121 -25.315 26.577 4.768 1.00 0.44 C ATOM 1861 O ARG A 121 -25.459 25.364 4.886 1.00 0.31 O ATOM 1862 CB ARG A 121 -27.468 27.808 5.238 1.00 1.17 C ATOM 1863 CG ARG A 121 -28.431 26.653 5.559 1.00 2.28 C ATOM 1864 CD ARG A 121 -29.892 26.892 5.153 1.00 3.33 C ATOM 1865 NE ARG A 121 -30.531 27.896 6.025 1.00 4.09 N ATOM 1866 CZ ARG A 121 -31.635 27.761 6.732 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -32.346 26.678 6.736 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -32.058 28.694 7.513 1.00 6.09 N ATOM 0 H ARG A 121 -27.000 25.823 2.950 1.00 0.54 H new ATOM 0 HA ARG A 121 -25.916 28.331 3.798 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -26.953 28.109 6.151 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -28.043 28.669 4.898 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -28.074 25.753 5.059 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -28.395 26.458 6.631 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -29.934 27.227 4.117 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -30.445 25.954 5.207 1.00 3.33 H new ATOM 0 HE ARG A 121 -30.064 28.800 6.088 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -32.059 25.877 6.173 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -33.193 26.626 7.302 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -31.535 29.566 7.596 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -32.916 28.561 8.048 1.00 6.09 H new ATOM 1882 N VAL A 122 -24.263 27.208 5.278 1.00 0.52 N ATOM 1883 CA VAL A 122 -23.081 26.572 5.881 1.00 0.38 C ATOM 1884 C VAL A 122 -22.892 26.998 7.341 1.00 0.34 C ATOM 1885 O VAL A 122 -22.804 28.192 7.633 1.00 0.42 O ATOM 1886 CB VAL A 122 -21.811 26.864 5.048 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -20.567 26.149 5.596 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -21.983 26.467 3.574 1.00 0.89 C ATOM 0 H VAL A 122 -24.201 28.226 5.286 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.250 25.495 5.876 1.00 0.38 H new ATOM 0 HB VAL A 122 -21.666 27.942 5.124 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -19.705 26.389 4.973 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -20.379 26.478 6.618 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -20.733 25.072 5.586 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -21.067 26.690 3.028 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -22.195 25.400 3.507 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -22.810 27.029 3.140 1.00 0.89 H new ATOM 1898 N SER A 123 -22.590 26.011 8.191 1.00 0.27 N ATOM 1899 CA SER A 123 -22.135 26.194 9.569 1.00 0.28 C ATOM 1900 C SER A 123 -20.801 25.615 9.813 1.00 0.27 C ATOM 1901 O SER A 123 -20.501 24.488 9.455 1.00 0.36 O ATOM 1902 CB SER A 123 -22.993 25.538 10.632 1.00 0.31 C ATOM 1903 OG SER A 123 -24.393 25.847 10.400 1.00 1.13 O ATOM 0 H SER A 123 -22.659 25.028 7.927 1.00 0.27 H new ATOM 0 HA SER A 123 -22.166 27.280 9.655 1.00 0.28 H new ATOM 0 HB2 SER A 123 -22.843 24.458 10.617 1.00 0.31 H new ATOM 0 HB3 SER A 123 -22.694 25.888 11.620 1.00 0.31 H new ATOM 0 HG SER A 123 -24.862 25.039 10.104 1.00 1.13 H new ATOM 1909 N LYS A 124 -19.971 26.332 10.576 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.592 25.916 10.924 1.00 0.28 C ATOM 1911 C LYS A 124 -18.508 25.324 12.389 1.00 0.25 C ATOM 1912 O LYS A 124 -18.919 25.979 13.387 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.588 27.130 10.709 1.00 0.36 C ATOM 1914 CG LYS A 124 -17.918 28.460 11.397 1.00 0.44 C ATOM 1915 CD LYS A 124 -17.395 29.666 10.661 1.00 0.83 C ATOM 1916 CE LYS A 124 -17.697 31.001 11.402 1.00 1.29 C ATOM 1917 NZ LYS A 124 -17.126 30.956 12.785 1.00 1.76 N ATOM 0 H LYS A 124 -20.233 27.231 10.979 1.00 0.26 H new ATOM 0 HA LYS A 124 -18.296 25.109 10.254 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.602 26.813 11.048 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -17.512 27.317 9.638 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -19.000 28.548 11.499 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -17.502 28.451 12.405 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -16.318 29.566 10.527 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -17.838 29.699 9.666 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -17.270 31.838 10.850 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -18.773 31.166 11.449 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -16.727 31.885 13.026 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -17.877 30.715 13.463 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -16.377 30.236 12.828 1.00 1.76 H new ATOM 1931 N ARG A 125 -17.838 24.185 12.516 1.00 0.23 N ATOM 1932 CA ARG A 125 -17.578 23.573 13.819 1.00 0.21 C ATOM 1933 C ARG A 125 -16.553 24.416 14.633 1.00 0.23 C ATOM 1934 O ARG A 125 -15.617 25.038 14.103 1.00 0.26 O ATOM 1935 CB ARG A 125 -16.986 22.123 13.573 1.00 0.26 C ATOM 1936 CG ARG A 125 -16.859 21.246 14.853 1.00 0.40 C ATOM 1937 CD ARG A 125 -17.032 19.731 14.604 1.00 0.65 C ATOM 1938 NE ARG A 125 -16.851 19.267 15.911 1.00 1.02 N ATOM 1939 CZ ARG A 125 -17.472 18.161 16.455 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -18.488 17.571 15.858 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -17.275 17.909 17.735 1.00 2.00 N ATOM 0 H ARG A 125 -17.461 23.661 11.727 1.00 0.23 H new ATOM 0 HA ARG A 125 -18.507 23.524 14.388 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -17.620 21.604 12.855 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -16.001 22.220 13.117 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -15.881 21.419 15.303 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -17.605 21.571 15.578 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -18.014 19.481 14.202 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -16.292 19.332 13.910 1.00 0.65 H new ATOM 0 HE ARG A 125 -16.209 19.787 16.509 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -18.836 17.930 14.969 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -18.926 16.755 16.285 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -16.679 18.523 18.290 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -17.719 17.100 18.170 1.00 2.00 H new ATOM 1955 N LEU A 126 -16.680 24.376 15.986 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.496 24.614 16.815 1.00 0.28 C ATOM 1957 C LEU A 126 -15.700 23.912 18.171 1.00 0.31 C ATOM 1958 O LEU A 126 -14.759 23.673 18.937 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.048 26.136 17.014 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.045 27.149 17.605 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -17.449 27.194 16.877 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -16.251 27.090 19.106 1.00 0.30 C ATOM 0 H LEU A 126 -17.546 24.191 16.493 1.00 0.25 H new ATOM 0 HA LEU A 126 -14.659 24.191 16.259 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.165 26.136 17.653 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -14.736 26.515 16.041 1.00 0.30 H new ATOM 0 HG LEU A 126 -15.521 28.083 17.401 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -18.086 27.935 17.360 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -17.308 27.464 15.831 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -17.922 26.214 16.938 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -16.974 27.850 19.404 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -16.625 26.105 19.383 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -15.303 27.273 19.611 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.931 23.439 18.443 1.00 0.40 N ATOM 1975 CA ALA A 127 -17.315 22.446 19.464 1.00 0.44 C ATOM 1976 C ALA A 127 -16.888 22.655 20.955 1.00 0.71 C ATOM 1977 O ALA A 127 -16.448 21.634 21.565 1.00 1.34 O ATOM 1978 CB ALA A 127 -16.766 21.038 19.008 1.00 0.44 C ATOM 1979 OXT ALA A 127 -16.982 23.760 21.489 1.00 30.00 O ATOM 0 H ALA A 127 -17.742 23.765 17.917 1.00 0.40 H new ATOM 0 HA ALA A 127 -18.399 22.551 19.499 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -17.037 20.285 19.748 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -17.200 20.773 18.044 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -15.681 21.083 18.917 1.00 0.44 H new TER 1985 ALA A 127 HETATM 1986 C GCH A 201 -27.476 18.404 11.822 1.00 0.06 C HETATM 1987 O GCH A 201 -28.521 17.591 12.084 1.00 -0.39 O HETATM 1988 C1 GCH A 201 -27.764 19.363 10.577 1.00 -0.02 C HETATM 1989 C2 GCH A 201 -26.796 20.597 10.731 1.00 -0.03 C HETATM 1990 C3 GCH A 201 -27.080 21.490 11.952 1.00 -0.03 C HETATM 1991 C4 GCH A 201 -27.721 20.549 13.057 1.00 -0.04 C HETATM 1992 C5 GCH A 201 -27.180 19.157 13.070 1.00 -0.03 C HETATM 1993 C6 GCH A 201 -25.754 22.007 12.512 1.00 -0.06 C HETATM 1994 C7 GCH A 201 -26.586 21.457 9.449 1.00 -0.02 C HETATM 1995 C8 GCH A 201 -27.562 22.561 9.231 1.00 0.06 C HETATM 1996 O1 GCH A 201 -28.893 22.041 8.957 1.00 -0.39 O HETATM 1997 C9 GCH A 201 -27.497 23.415 10.456 1.00 -0.01 C HETATM 1998 C10 GCH A 201 -28.049 22.703 11.665 1.00 -0.03 C HETATM 1999 C11 GCH A 201 -28.336 23.592 12.891 1.00 -0.02 C HETATM 2000 C12 GCH A 201 -29.215 24.837 12.419 1.00 0.06 C HETATM 2001 C13 GCH A 201 -28.471 25.670 11.212 1.00 0.00 C HETATM 2002 C14 GCH A 201 -28.384 24.641 10.150 1.00 -0.03 C HETATM 2003 C15 GCH A 201 -27.983 25.473 8.962 1.00 -0.05 C HETATM 2004 C16 GCH A 201 -28.616 26.889 9.146 1.00 -0.05 C HETATM 2005 C17 GCH A 201 -29.346 26.776 10.514 1.00 -0.03 C HETATM 2006 C18 GCH A 201 -29.646 28.146 11.211 1.00 -0.04 C HETATM 2007 C19 GCH A 201 -28.424 29.059 11.378 1.00 -0.06 C HETATM 2008 C20 GCH A 201 -30.441 27.964 12.528 1.00 -0.04 C HETATM 2009 C21 GCH A 201 -31.823 28.810 12.594 1.00 0.07 C HETATM 2010 C22 GCH A 201 -31.700 30.296 12.377 1.00 0.38 C HETATM 2011 N GCH A 201 -31.554 30.719 11.142 1.00 -0.21 N HETATM 2012 CA GCH A 201 -31.357 32.095 10.767 1.00 0.19 C HETATM 2013 O2 GCH A 201 -31.687 31.081 13.278 1.00 -0.22 O HETATM 2014 C23 GCH A 201 -27.109 26.173 11.696 1.00 -0.06 C HETATM 2015 O3 GCH A 201 -30.519 24.478 12.124 1.00 -0.39 O HETATM 2016 C24 GCH A 201 -31.487 32.063 9.213 1.00 0.12 C HETATM 2017 O4 GCH A 201 -30.915 32.927 8.568 1.00 -0.80 O HETATM 2018 O5 GCH A 201 -32.031 31.038 8.718 1.00 -0.31 O HETATM 0 H9 GCH A 201 -25.845 20.097 10.913 1.00 -0.03 H new HETATM 0 H8 GCH A 201 -25.132 21.164 12.811 1.00 -0.06 H new HETATM 0 H7 GCH A 201 -25.237 22.586 11.747 1.00 -0.06 H new HETATM 0 H6 GCH A 201 -25.947 22.641 13.378 1.00 -0.06 H new HETATM 0 H5 GCH A 201 -27.560 20.998 14.037 1.00 -0.04 H new HETATM 0 H42 GCH A 201 -28.865 23.023 13.656 1.00 -0.02 H new HETATM 0 H41 GCH A 201 -27.402 23.935 13.337 1.00 -0.02 H new HETATM 0 H40 GCH A 201 -29.294 25.526 13.260 1.00 0.06 H new HETATM 0 H4 GCH A 201 -28.799 20.506 12.900 1.00 -0.04 H new HETATM 0 H39 GCH A 201 -31.123 24.857 12.797 1.00 -0.39 H new HETATM 0 H38 GCH A 201 -27.248 26.829 12.555 1.00 -0.06 H new HETATM 0 H37 GCH A 201 -26.489 25.324 11.984 1.00 -0.06 H new HETATM 0 H36 GCH A 201 -26.619 26.724 10.894 1.00 -0.06 H new HETATM 0 H35 GCH A 201 -29.318 24.100 10.000 1.00 -0.03 H new HETATM 0 H34 GCH A 201 -26.898 25.544 8.893 1.00 -0.05 H new HETATM 0 H33 GCH A 201 -28.332 25.014 8.037 1.00 -0.05 H new HETATM 0 H32 GCH A 201 -27.857 27.671 9.158 1.00 -0.05 H new HETATM 0 H31 GCH A 201 -29.308 27.129 8.339 1.00 -0.05 H new HETATM 0 H30 GCH A 201 -30.392 26.469 10.503 1.00 -0.03 H new HETATM 0 H3 GCH A 201 -27.599 18.619 13.920 1.00 -0.03 H new HETATM 0 H29 GCH A 201 -30.289 28.684 10.515 1.00 -0.04 H new HETATM 0 H28 GCH A 201 -30.669 26.906 12.658 1.00 -0.04 H new HETATM 0 H27 GCH A 201 -29.808 28.258 13.365 1.00 -0.04 H new HETATM 0 H26 GCH A 201 -32.507 28.409 11.846 1.00 0.07 H new HETATM 0 H25 GCH A 201 -32.282 28.642 13.568 1.00 0.07 H new HETATM 0 H24 GCH A 201 -31.582 30.024 10.396 1.00 -0.21 H new HETATM 0 H23 GCH A 201 -32.104 32.747 11.220 1.00 0.19 H new HETATM 0 H22 GCH A 201 -30.380 32.462 11.082 1.00 0.19 H new HETATM 0 H21 GCH A 201 -27.673 28.554 11.985 1.00 -0.06 H new HETATM 0 H20 GCH A 201 -28.005 29.288 10.398 1.00 -0.06 H new HETATM 0 H2 GCH A 201 -26.101 19.194 13.217 1.00 -0.03 H new HETATM 0 H19 GCH A 201 -28.725 29.984 11.869 1.00 -0.06 H new HETATM 0 H18 GCH A 201 -25.585 21.887 9.485 1.00 -0.02 H new HETATM 0 H17 GCH A 201 -26.618 20.795 8.583 1.00 -0.02 H new HETATM 0 H16 GCH A 201 -27.318 23.157 8.352 1.00 0.06 H new HETATM 0 H15 GCH A 201 -26.464 23.677 10.683 1.00 -0.01 H new HETATM 0 H14 GCH A 201 -29.055 22.347 11.443 1.00 -0.03 H new HETATM 0 H13 GCH A 201 -29.448 22.750 8.570 1.00 -0.39 H new HETATM 0 H12 GCH A 201 -26.603 17.821 11.528 1.00 0.06 H new HETATM 0 H11 GCH A 201 -27.583 18.843 9.636 1.00 -0.02 H new HETATM 0 H10 GCH A 201 -28.805 19.685 10.568 1.00 -0.02 H new HETATM 0 H1 GCH A 201 -29.316 18.131 12.274 1.00 -0.39 H new HETATM 2061 C1 CHO A 202 -37.029 17.349 11.157 1.00 -0.04 C HETATM 2062 C2 CHO A 202 -35.929 17.319 10.128 1.00 -0.03 C HETATM 2063 C3 CHO A 202 -34.504 17.100 10.727 1.00 0.06 C HETATM 2064 O3 CHO A 202 -33.611 17.447 9.668 1.00 -0.39 O HETATM 2065 C4 CHO A 202 -34.283 17.975 11.957 1.00 -0.02 C HETATM 2066 C5 CHO A 202 -35.415 18.228 12.892 1.00 -0.03 C HETATM 2067 C6 CHO A 202 -35.052 19.273 13.985 1.00 -0.02 C HETATM 2068 C7 CHO A 202 -35.378 20.672 13.525 1.00 0.06 C HETATM 2069 O7 CHO A 202 -34.221 21.192 12.955 1.00 -0.39 O HETATM 2070 C8 CHO A 202 -36.589 20.859 12.625 1.00 -0.01 C HETATM 2071 C9 CHO A 202 -36.640 19.827 11.518 1.00 -0.03 C HETATM 2072 C10 CHO A 202 -36.708 18.417 12.191 1.00 -0.03 C HETATM 2073 C11 CHO A 202 -37.783 20.102 10.446 1.00 -0.02 C HETATM 2074 C12 CHO A 202 -37.720 21.518 9.875 1.00 0.06 C HETATM 2075 C13 CHO A 202 -37.661 22.500 11.009 1.00 0.00 C HETATM 2076 C14 CHO A 202 -36.414 22.267 11.910 1.00 -0.03 C HETATM 2077 C15 CHO A 202 -36.297 23.641 12.653 1.00 -0.05 C HETATM 2078 C16 CHO A 202 -36.870 24.702 11.757 1.00 -0.05 C HETATM 2079 C17 CHO A 202 -37.155 23.920 10.463 1.00 -0.03 C HETATM 2080 C18 CHO A 202 -39.026 22.476 11.811 1.00 -0.06 C HETATM 2081 C19 CHO A 202 -37.809 18.208 13.283 1.00 -0.06 C HETATM 2082 C20 CHO A 202 -37.959 24.716 9.421 1.00 -0.04 C HETATM 2083 C21 CHO A 202 -37.002 25.746 8.749 1.00 -0.06 C HETATM 2084 C22 CHO A 202 -39.417 25.339 9.797 1.00 -0.04 C HETATM 2085 C23 CHO A 202 -39.469 26.723 10.510 1.00 0.07 C HETATM 2086 C24 CHO A 202 -40.857 27.088 10.749 1.00 0.38 C HETATM 2087 O24 CHO A 202 -41.763 26.341 10.476 1.00 -0.22 O HETATM 2088 N25 CHO A 202 -41.120 28.242 11.436 1.00 -0.21 N HETATM 2089 C26 CHO A 202 -42.469 28.683 11.836 1.00 0.19 C HETATM 2090 C27 CHO A 202 -42.375 29.124 13.327 1.00 0.12 C HETATM 2091 OT1 CHO A 202 -41.237 29.246 13.698 1.00 -0.80 O HETATM 2092 OT2 CHO A 202 -43.412 29.394 13.973 1.00 -0.31 O HETATM 0 H262 CHO A 202 -42.807 29.508 11.209 1.00 0.19 H new HETATM 0 H261 CHO A 202 -43.191 27.875 11.717 1.00 0.19 H new HETATM 0 H232 CHO A 202 -38.925 26.680 11.453 1.00 0.07 H new HETATM 0 H231 CHO A 202 -38.982 27.480 9.895 1.00 0.07 H new HETATM 0 H222 CHO A 202 -39.992 25.419 8.874 1.00 -0.04 H new HETATM 0 H221 CHO A 202 -39.932 24.619 10.432 1.00 -0.04 H new HETATM 0 H213 CHO A 202 -36.602 26.420 9.507 1.00 -0.06 H new HETATM 0 H212 CHO A 202 -36.181 25.217 8.264 1.00 -0.06 H new HETATM 0 H211 CHO A 202 -37.552 26.322 8.005 1.00 -0.06 H new HETATM 0 H193 CHO A 202 -38.794 18.344 12.837 1.00 -0.06 H new HETATM 0 H192 CHO A 202 -37.731 17.200 13.690 1.00 -0.06 H new HETATM 0 H191 CHO A 202 -37.669 18.934 14.084 1.00 -0.06 H new HETATM 0 H183 CHO A 202 -39.845 22.745 11.144 1.00 -0.06 H new HETATM 0 H182 CHO A 202 -39.196 21.476 12.209 1.00 -0.06 H new HETATM 0 H181 CHO A 202 -38.978 23.190 12.633 1.00 -0.06 H new HETATM 0 H162 CHO A 202 -37.776 25.141 12.175 1.00 -0.05 H new HETATM 0 H161 CHO A 202 -36.167 25.518 11.592 1.00 -0.05 H new HETATM 0 H152 CHO A 202 -36.836 23.610 13.600 1.00 -0.05 H new HETATM 0 H151 CHO A 202 -35.255 23.861 12.886 1.00 -0.05 H new HETATM 0 H122 CHO A 202 -36.844 21.628 9.236 1.00 0.06 H new HETATM 0 H121 CHO A 202 -38.594 21.713 9.254 1.00 0.06 H new HETATM 0 H112 CHO A 202 -37.695 19.381 9.633 1.00 -0.02 H new HETATM 0 H111 CHO A 202 -38.757 19.943 10.909 1.00 -0.02 H new HETATM 0 HOT CHO A 202 -43.189 29.499 14.921 1.00 -0.31 H new HETATM 0 HO7 CHO A 202 -33.436 20.786 13.380 1.00 -0.39 H new HETATM 0 HO3 CHO A 202 -32.778 17.801 10.045 1.00 -0.39 H new HETATM 0 HN CHO A 202 -40.330 28.837 11.688 1.00 -0.21 H new HETATM 0 H9 CHO A 202 -35.736 19.886 10.912 1.00 -0.03 H new HETATM 0 H8 CHO A 202 -37.490 20.775 13.233 1.00 -0.01 H new HETATM 0 H7 CHO A 202 -35.698 21.220 14.411 1.00 0.06 H new HETATM 0 H62 CHO A 202 -35.599 19.051 14.901 1.00 -0.02 H new HETATM 0 H61 CHO A 202 -33.990 19.202 14.222 1.00 -0.02 H new HETATM 0 H5 CHO A 202 -35.590 17.318 13.466 1.00 -0.03 H new HETATM 0 H42 CHO A 202 -33.476 17.526 12.536 1.00 -0.02 H new HETATM 0 H41 CHO A 202 -33.925 18.944 11.608 1.00 -0.02 H new HETATM 0 H3 CHO A 202 -34.351 16.076 11.068 1.00 0.06 H new HETATM 0 H22 CHO A 202 -36.137 16.524 9.412 1.00 -0.03 H new HETATM 0 H21 CHO A 202 -35.938 18.257 9.574 1.00 -0.03 H new HETATM 0 H20 CHO A 202 -38.311 23.952 8.728 1.00 -0.04 H new HETATM 0 H17 CHO A 202 -36.304 23.738 9.806 1.00 -0.03 H new HETATM 0 H14 CHO A 202 -35.418 22.100 11.499 1.00 -0.03 H new HETATM 0 H12 CHO A 202 -37.986 17.562 10.680 1.00 -0.04 H new HETATM 0 H11 CHO A 202 -37.122 16.375 11.638 1.00 -0.04 H new