USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 119 THR OG1 : rot 180:sc= -0.121 USER MOD Set 2.1: A 78 MET CE :methyl 140:sc= -0.099 (180deg=-0.656) USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= -0.0347 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 29 GLN : amide:sc=-0.00579 K(o=0.33,f=-2.4!) USER MOD Set 4.2: A 33 SER OG : rot -130:sc= 0.332 USER MOD Set 5.1: A 26 ASN : amide:sc= -0.114 K(o=-0.21,f=-6!) USER MOD Set 5.2: A 102 LYS NZ :NH3+ -121:sc= -0.0961 (180deg=0) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0839 (180deg=-0.582) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.144) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0751 F(o=-1.1,f=-0.075) USER MOD Single : A 11 ASN : amide:sc= 0.181 K(o=0.18,f=-6.1!) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.318 K(o=0.32,f=-9.7!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.316 X(o=0.32,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 140:sc= 0.35 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.06 F(o=-2.1!,f=-1.1) USER MOD Single : A 53 ASN : amide:sc= -0.338 K(o=-0.34,f=-4.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.1) USER MOD Single : A 59 GLN : amide:sc= -1.54 K(o=-1.5,f=-7.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -24:sc= 0.0164 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0011 X(o=-0.0011,f=-0.011) USER MOD Single : A 72 THR OG1 : rot 12:sc= 0.858 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= 1.69 (180deg=1.52) USER MOD Single : A 81 ASN : amide:sc= -1.65! C(o=-1.7!,f=-5.7!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.104 F(o=-2,f=-0.1) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.0668 F(o=-1.3!,f=-0.067) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -1:sc= 1.21 USER MOD Single : A 105 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.94) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 112 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 116 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD Single : A 117 ASN : amide:sc= -0.336 K(o=-0.34,f=-3.6!) USER MOD Single : A 122 HIS : no HD1:sc= 0.112 K(o=0.11,f=-2.7!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 124 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.0093) USER MOD Single : A 125 HIS : no HD1:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 52.036 3.074 -96.282 1.00 0.00 N ATOM 2 CA MET A 1 52.429 4.486 -96.079 1.00 52.33 C ATOM 3 C MET A 1 51.252 5.408 -96.367 1.00 71.33 C ATOM 4 O MET A 1 50.880 5.621 -97.524 1.00 1.24 O ATOM 5 CB MET A 1 53.609 4.853 -96.988 1.00 2.44 C ATOM 6 CG MET A 1 54.898 4.119 -96.647 1.00 75.50 C ATOM 7 SD MET A 1 56.239 4.494 -97.796 1.00 21.34 S ATOM 8 CE MET A 1 55.604 3.777 -99.313 1.00 13.04 C ATOM 0 H1 MET A 1 52.771 2.450 -95.892 1.00 0.00 H new ATOM 0 H2 MET A 1 51.134 2.892 -95.797 1.00 0.00 H new ATOM 0 H3 MET A 1 51.927 2.887 -97.299 1.00 0.00 H new ATOM 0 HA MET A 1 52.734 4.610 -95.040 1.00 52.33 H new ATOM 0 HB2 MET A 1 53.341 4.636 -98.022 1.00 2.44 H new ATOM 0 HB3 MET A 1 53.785 5.927 -96.923 1.00 2.44 H new ATOM 0 HG2 MET A 1 55.206 4.385 -95.636 1.00 75.50 H new ATOM 0 HG3 MET A 1 54.712 3.045 -96.651 1.00 75.50 H new ATOM 0 HE1 MET A 1 56.425 3.622-100.014 1.00 13.04 H new ATOM 0 HE2 MET A 1 55.130 2.821 -99.093 1.00 13.04 H new ATOM 0 HE3 MET A 1 54.871 4.452 -99.756 1.00 13.04 H new ATOM 20 N ALA A 2 50.666 5.944 -95.309 1.00 12.30 N ATOM 21 CA ALA A 2 49.529 6.841 -95.431 1.00 21.34 C ATOM 22 C ALA A 2 49.890 8.221 -94.901 1.00 14.20 C ATOM 23 O ALA A 2 50.316 8.362 -93.752 1.00 72.13 O ATOM 24 CB ALA A 2 48.324 6.277 -94.691 1.00 74.23 C ATOM 0 H ALA A 2 50.962 5.771 -94.348 1.00 12.30 H new ATOM 0 HA ALA A 2 49.267 6.934 -96.485 1.00 21.34 H new ATOM 0 HB1 ALA A 2 47.482 6.961 -94.793 1.00 74.23 H new ATOM 0 HB2 ALA A 2 48.058 5.308 -95.114 1.00 74.23 H new ATOM 0 HB3 ALA A 2 48.569 6.157 -93.636 1.00 74.23 H new ATOM 30 N GLY A 3 49.736 9.230 -95.741 1.00 50.23 N ATOM 31 CA GLY A 3 50.078 10.580 -95.354 1.00 65.14 C ATOM 32 C GLY A 3 50.752 11.323 -96.485 1.00 23.21 C ATOM 33 O GLY A 3 51.478 10.722 -97.279 1.00 32.24 O ATOM 0 H GLY A 3 49.377 9.137 -96.691 1.00 50.23 H new ATOM 0 HA2 GLY A 3 49.176 11.113 -95.052 1.00 65.14 H new ATOM 0 HA3 GLY A 3 50.739 10.556 -94.488 1.00 65.14 H new ATOM 37 N THR A 4 50.516 12.626 -96.566 1.00 43.32 N ATOM 38 CA THR A 4 51.068 13.430 -97.645 1.00 31.21 C ATOM 39 C THR A 4 52.595 13.490 -97.561 1.00 2.41 C ATOM 40 O THR A 4 53.275 13.563 -98.586 1.00 63.23 O ATOM 41 CB THR A 4 50.473 14.860 -97.652 1.00 4.31 C ATOM 42 OG1 THR A 4 50.942 15.590 -98.795 1.00 72.25 O ATOM 43 CG2 THR A 4 50.833 15.626 -96.385 1.00 71.44 C ATOM 0 H THR A 4 49.947 13.146 -95.898 1.00 43.32 H new ATOM 0 HA THR A 4 50.791 12.946 -98.582 1.00 31.21 H new ATOM 0 HB THR A 4 49.389 14.759 -97.697 1.00 4.31 H new ATOM 0 HG1 THR A 4 50.557 16.491 -98.788 1.00 72.25 H new ATOM 0 HG21 THR A 4 50.398 16.624 -96.427 1.00 71.44 H new ATOM 0 HG22 THR A 4 50.442 15.096 -95.516 1.00 71.44 H new ATOM 0 HG23 THR A 4 51.917 15.706 -96.304 1.00 71.44 H new ATOM 51 N MET A 5 53.129 13.425 -96.345 1.00 11.31 N ATOM 52 CA MET A 5 54.573 13.493 -96.146 1.00 75.43 C ATOM 53 C MET A 5 54.965 12.963 -94.772 1.00 15.13 C ATOM 54 O MET A 5 55.973 12.275 -94.633 1.00 24.32 O ATOM 55 CB MET A 5 55.065 14.937 -96.300 1.00 22.24 C ATOM 56 CG MET A 5 56.576 15.087 -96.230 1.00 23.44 C ATOM 57 SD MET A 5 57.420 14.203 -97.552 1.00 11.43 S ATOM 58 CE MET A 5 59.130 14.594 -97.188 1.00 45.42 C ATOM 0 H MET A 5 52.587 13.326 -95.487 1.00 11.31 H new ATOM 0 HA MET A 5 55.043 12.868 -96.905 1.00 75.43 H new ATOM 0 HB2 MET A 5 54.715 15.329 -97.255 1.00 22.24 H new ATOM 0 HB3 MET A 5 54.613 15.549 -95.519 1.00 22.24 H new ATOM 0 HG2 MET A 5 56.835 16.144 -96.281 1.00 23.44 H new ATOM 0 HG3 MET A 5 56.930 14.718 -95.267 1.00 23.44 H new ATOM 0 HE1 MET A 5 59.777 14.116 -97.923 1.00 45.42 H new ATOM 0 HE2 MET A 5 59.273 15.674 -97.227 1.00 45.42 H new ATOM 0 HE3 MET A 5 59.382 14.230 -96.192 1.00 45.42 H new ATOM 68 N THR A 6 54.147 13.273 -93.771 1.00 41.42 N ATOM 69 CA THR A 6 54.457 12.950 -92.386 1.00 43.12 C ATOM 70 C THR A 6 55.773 13.611 -91.976 1.00 64.43 C ATOM 71 O THR A 6 56.824 12.972 -91.905 1.00 60.42 O ATOM 72 CB THR A 6 54.519 11.425 -92.151 1.00 74.21 C ATOM 73 OG1 THR A 6 53.328 10.812 -92.671 1.00 54.11 O ATOM 74 CG2 THR A 6 54.643 11.106 -90.667 1.00 62.12 C ATOM 0 H THR A 6 53.256 13.753 -93.898 1.00 41.42 H new ATOM 0 HA THR A 6 53.651 13.340 -91.764 1.00 43.12 H new ATOM 0 HB THR A 6 55.397 11.033 -92.664 1.00 74.21 H new ATOM 0 HG1 THR A 6 53.367 9.844 -92.524 1.00 54.11 H new ATOM 0 HG21 THR A 6 54.685 10.026 -90.529 1.00 62.12 H new ATOM 0 HG22 THR A 6 55.553 11.557 -90.273 1.00 62.12 H new ATOM 0 HG23 THR A 6 53.780 11.506 -90.135 1.00 62.12 H new ATOM 82 N PHE A 7 55.706 14.912 -91.737 1.00 42.33 N ATOM 83 CA PHE A 7 56.893 15.697 -91.433 1.00 74.33 C ATOM 84 C PHE A 7 57.072 15.847 -89.928 1.00 63.13 C ATOM 85 O PHE A 7 58.200 15.888 -89.434 1.00 64.35 O ATOM 86 CB PHE A 7 56.819 17.076 -92.110 1.00 24.13 C ATOM 87 CG PHE A 7 55.637 17.920 -91.697 1.00 71.12 C ATOM 88 CD1 PHE A 7 55.779 18.904 -90.732 1.00 75.04 C ATOM 89 CD2 PHE A 7 54.392 17.729 -92.274 1.00 54.44 C ATOM 90 CE1 PHE A 7 54.702 19.680 -90.349 1.00 24.44 C ATOM 91 CE2 PHE A 7 53.310 18.502 -91.894 1.00 13.11 C ATOM 92 CZ PHE A 7 53.465 19.478 -90.932 1.00 63.23 C ATOM 0 H PHE A 7 54.838 15.448 -91.748 1.00 42.33 H new ATOM 0 HA PHE A 7 57.760 15.167 -91.827 1.00 74.33 H new ATOM 0 HB2 PHE A 7 57.735 17.624 -91.888 1.00 24.13 H new ATOM 0 HB3 PHE A 7 56.787 16.934 -93.190 1.00 24.13 H new ATOM 0 HD1 PHE A 7 56.743 19.066 -90.274 1.00 75.04 H new ATOM 0 HD2 PHE A 7 54.265 16.968 -93.029 1.00 54.44 H new ATOM 0 HE1 PHE A 7 54.826 20.443 -89.595 1.00 24.44 H new ATOM 0 HE2 PHE A 7 52.344 18.341 -92.350 1.00 13.11 H new ATOM 0 HZ PHE A 7 52.621 20.083 -90.635 1.00 63.23 H new ATOM 102 N GLN A 8 55.959 15.905 -89.207 1.00 31.11 N ATOM 103 CA GLN A 8 55.994 16.074 -87.760 1.00 22.32 C ATOM 104 C GLN A 8 54.605 15.875 -87.171 1.00 73.41 C ATOM 105 O GLN A 8 54.367 14.912 -86.446 1.00 70.13 O ATOM 106 CB GLN A 8 56.518 17.466 -87.393 1.00 44.31 C ATOM 107 CG GLN A 8 56.684 17.685 -85.896 1.00 2.34 C ATOM 108 CD GLN A 8 57.724 16.772 -85.271 1.00 35.43 C ATOM 109 OE1 GLN A 8 58.742 16.414 -86.037 1.00 50.31 O flip ATOM 110 NE2 GLN A 8 57.616 16.402 -84.103 1.00 14.45 N flip ATOM 0 H GLN A 8 55.021 15.837 -89.601 1.00 31.11 H new ATOM 0 HA GLN A 8 56.668 15.324 -87.345 1.00 22.32 H new ATOM 0 HB2 GLN A 8 57.479 17.623 -87.882 1.00 44.31 H new ATOM 0 HB3 GLN A 8 55.833 18.217 -87.787 1.00 44.31 H new ATOM 0 HG2 GLN A 8 56.965 18.723 -85.716 1.00 2.34 H new ATOM 0 HG3 GLN A 8 55.725 17.524 -85.403 1.00 2.34 H new ATOM 0 HE21 GLN A 8 56.816 16.700 -83.545 1.00 14.45 H new ATOM 0 HE22 GLN A 8 58.327 15.797 -83.692 1.00 14.45 H new ATOM 119 N PHE A 9 53.699 16.795 -87.504 1.00 73.24 N ATOM 120 CA PHE A 9 52.331 16.785 -86.993 1.00 4.13 C ATOM 121 C PHE A 9 52.326 16.915 -85.473 1.00 32.53 C ATOM 122 O PHE A 9 52.315 15.925 -84.741 1.00 20.24 O ATOM 123 CB PHE A 9 51.571 15.524 -87.434 1.00 55.13 C ATOM 124 CG PHE A 9 50.118 15.531 -87.051 1.00 3.12 C ATOM 125 CD1 PHE A 9 49.678 14.845 -85.929 1.00 54.02 C ATOM 126 CD2 PHE A 9 49.193 16.230 -87.809 1.00 53.11 C ATOM 127 CE1 PHE A 9 48.345 14.858 -85.571 1.00 4.52 C ATOM 128 CE2 PHE A 9 47.857 16.244 -87.457 1.00 31.40 C ATOM 129 CZ PHE A 9 47.432 15.558 -86.335 1.00 63.11 C ATOM 0 H PHE A 9 53.895 17.570 -88.138 1.00 73.24 H new ATOM 0 HA PHE A 9 51.813 17.645 -87.417 1.00 4.13 H new ATOM 0 HB2 PHE A 9 51.652 15.421 -88.516 1.00 55.13 H new ATOM 0 HB3 PHE A 9 52.050 14.649 -86.994 1.00 55.13 H new ATOM 0 HD1 PHE A 9 50.387 14.294 -85.328 1.00 54.02 H new ATOM 0 HD2 PHE A 9 49.520 16.770 -88.685 1.00 53.11 H new ATOM 0 HE1 PHE A 9 48.016 14.321 -84.694 1.00 4.52 H new ATOM 0 HE2 PHE A 9 47.145 16.791 -88.058 1.00 31.40 H new ATOM 0 HZ PHE A 9 46.389 15.569 -86.056 1.00 63.11 H new ATOM 139 N ARG A 10 52.378 18.146 -85.004 1.00 62.51 N ATOM 140 CA ARG A 10 52.340 18.410 -83.579 1.00 44.32 C ATOM 141 C ARG A 10 50.972 18.954 -83.187 1.00 21.34 C ATOM 142 O ARG A 10 50.335 19.645 -83.975 1.00 35.21 O ATOM 143 CB ARG A 10 53.450 19.391 -83.189 1.00 21.20 C ATOM 144 CG ARG A 10 53.506 19.697 -81.704 1.00 72.03 C ATOM 145 CD ARG A 10 54.745 20.497 -81.346 1.00 53.43 C ATOM 146 NE ARG A 10 54.751 20.882 -79.938 1.00 61.25 N ATOM 147 CZ ARG A 10 55.849 20.968 -79.188 1.00 52.03 C ATOM 148 NH1 ARG A 10 57.029 20.612 -79.684 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 55.762 21.397 -77.934 1.00 60.33 N ATOM 0 H ARG A 10 52.447 18.979 -85.589 1.00 62.51 H new ATOM 0 HA ARG A 10 52.508 17.477 -83.040 1.00 44.32 H new ATOM 0 HB2 ARG A 10 54.410 18.981 -83.502 1.00 21.20 H new ATOM 0 HB3 ARG A 10 53.307 20.322 -83.737 1.00 21.20 H new ATOM 0 HG2 ARG A 10 52.616 20.254 -81.413 1.00 72.03 H new ATOM 0 HG3 ARG A 10 53.498 18.765 -81.139 1.00 72.03 H new ATOM 0 HD2 ARG A 10 55.635 19.907 -81.566 1.00 53.43 H new ATOM 0 HD3 ARG A 10 54.793 21.391 -81.968 1.00 53.43 H new ATOM 0 HE ARG A 10 53.856 21.099 -79.500 1.00 61.25 H new ATOM 0 HH11 ARG A 10 57.097 20.271 -80.643 1.00 11.40 H new ATOM 0 HH12 ARG A 10 57.867 20.680 -79.106 1.00 11.40 H new ATOM 0 HH21 ARG A 10 54.856 21.660 -77.547 1.00 60.33 H new ATOM 0 HH22 ARG A 10 56.601 21.463 -77.358 1.00 60.33 H new ATOM 163 N ASN A 11 50.538 18.605 -81.980 1.00 4.11 N ATOM 164 CA ASN A 11 49.260 19.041 -81.409 1.00 44.33 C ATOM 165 C ASN A 11 49.300 20.515 -80.989 1.00 62.55 C ATOM 166 O ASN A 11 49.723 20.843 -79.880 1.00 3.33 O ATOM 167 CB ASN A 11 48.858 18.138 -80.226 1.00 42.41 C ATOM 168 CG ASN A 11 49.944 17.984 -79.160 1.00 62.50 C ATOM 169 OD1 ASN A 11 51.144 18.068 -79.441 1.00 63.14 O ATOM 170 ND2 ASN A 11 49.531 17.733 -77.929 1.00 43.24 N ATOM 0 H ASN A 11 51.072 18.000 -81.356 1.00 4.11 H new ATOM 0 HA ASN A 11 48.501 18.948 -82.186 1.00 44.33 H new ATOM 0 HB2 ASN A 11 47.962 18.546 -79.760 1.00 42.41 H new ATOM 0 HB3 ASN A 11 48.597 17.151 -80.608 1.00 42.41 H new ATOM 0 HD21 ASN A 11 50.211 17.603 -77.180 1.00 43.24 H new ATOM 0 HD22 ASN A 11 48.533 17.670 -77.729 1.00 43.24 H new ATOM 177 N PRO A 12 48.892 21.430 -81.882 1.00 71.33 N ATOM 178 CA PRO A 12 49.119 22.862 -81.713 1.00 34.14 C ATOM 179 C PRO A 12 48.161 23.509 -80.717 1.00 51.42 C ATOM 180 O PRO A 12 46.938 23.377 -80.841 1.00 63.23 O ATOM 181 CB PRO A 12 48.892 23.440 -83.121 1.00 5.44 C ATOM 182 CG PRO A 12 48.477 22.294 -83.994 1.00 13.40 C ATOM 183 CD PRO A 12 48.095 21.164 -83.083 1.00 22.12 C ATOM 0 HA PRO A 12 50.113 23.056 -81.309 1.00 34.14 H new ATOM 0 HB2 PRO A 12 48.122 24.212 -83.103 1.00 5.44 H new ATOM 0 HB3 PRO A 12 49.802 23.906 -83.500 1.00 5.44 H new ATOM 0 HG2 PRO A 12 47.638 22.577 -84.629 1.00 13.40 H new ATOM 0 HG3 PRO A 12 49.292 21.998 -84.655 1.00 13.40 H new ATOM 0 HD2 PRO A 12 47.027 21.162 -82.867 1.00 22.12 H new ATOM 0 HD3 PRO A 12 48.333 20.194 -83.520 1.00 22.12 H new ATOM 191 N ASN A 13 48.743 24.192 -79.725 1.00 41.30 N ATOM 192 CA ASN A 13 47.998 25.002 -78.759 1.00 75.43 C ATOM 193 C ASN A 13 47.210 24.146 -77.770 1.00 53.44 C ATOM 194 O ASN A 13 46.362 23.334 -78.148 1.00 60.03 O ATOM 195 CB ASN A 13 47.063 25.983 -79.473 1.00 5.35 C ATOM 196 CG ASN A 13 46.319 26.895 -78.512 1.00 12.51 C ATOM 197 OD1 ASN A 13 46.809 27.212 -77.426 1.00 74.54 O ATOM 198 ND2 ASN A 13 45.127 27.320 -78.901 1.00 31.22 N ATOM 0 H ASN A 13 49.751 24.197 -79.570 1.00 41.30 H new ATOM 0 HA ASN A 13 48.735 25.567 -78.188 1.00 75.43 H new ATOM 0 HB2 ASN A 13 47.643 26.591 -80.167 1.00 5.35 H new ATOM 0 HB3 ASN A 13 46.341 25.422 -80.067 1.00 5.35 H new ATOM 0 HD21 ASN A 13 44.581 27.932 -78.294 1.00 31.22 H new ATOM 0 HD22 ASN A 13 44.755 27.036 -79.807 1.00 31.22 H new ATOM 205 N PHE A 14 47.506 24.340 -76.495 1.00 62.35 N ATOM 206 CA PHE A 14 46.786 23.677 -75.424 1.00 0.14 C ATOM 207 C PHE A 14 46.536 24.672 -74.300 1.00 75.23 C ATOM 208 O PHE A 14 47.448 25.391 -73.887 1.00 23.43 O ATOM 209 CB PHE A 14 47.578 22.472 -74.906 1.00 41.22 C ATOM 210 CG PHE A 14 46.878 21.713 -73.810 1.00 21.33 C ATOM 211 CD1 PHE A 14 45.837 20.847 -74.108 1.00 5.43 C ATOM 212 CD2 PHE A 14 47.265 21.861 -72.488 1.00 23.12 C ATOM 213 CE1 PHE A 14 45.195 20.144 -73.107 1.00 32.32 C ATOM 214 CE2 PHE A 14 46.627 21.161 -71.483 1.00 54.41 C ATOM 215 CZ PHE A 14 45.591 20.301 -71.792 1.00 3.14 C ATOM 0 H PHE A 14 48.250 24.960 -76.176 1.00 62.35 H new ATOM 0 HA PHE A 14 45.832 23.312 -75.804 1.00 0.14 H new ATOM 0 HB2 PHE A 14 47.775 21.794 -75.736 1.00 41.22 H new ATOM 0 HB3 PHE A 14 48.545 22.815 -74.538 1.00 41.22 H new ATOM 0 HD1 PHE A 14 45.525 20.721 -75.134 1.00 5.43 H new ATOM 0 HD2 PHE A 14 48.075 22.531 -72.241 1.00 23.12 H new ATOM 0 HE1 PHE A 14 44.385 19.473 -73.351 1.00 32.32 H new ATOM 0 HE2 PHE A 14 46.938 21.286 -70.456 1.00 54.41 H new ATOM 0 HZ PHE A 14 45.091 19.752 -71.007 1.00 3.14 H new ATOM 225 N GLY A 15 45.300 24.743 -73.840 1.00 54.15 N ATOM 226 CA GLY A 15 44.968 25.645 -72.760 1.00 71.23 C ATOM 227 C GLY A 15 43.695 25.242 -72.052 1.00 65.22 C ATOM 228 O GLY A 15 42.642 25.126 -72.679 1.00 42.44 O ATOM 0 H GLY A 15 44.519 24.192 -74.195 1.00 54.15 H new ATOM 0 HA2 GLY A 15 45.789 25.669 -72.043 1.00 71.23 H new ATOM 0 HA3 GLY A 15 44.859 26.656 -73.153 1.00 71.23 H new ATOM 232 N GLY A 16 43.793 25.017 -70.752 1.00 14.53 N ATOM 233 CA GLY A 16 42.631 24.660 -69.968 1.00 0.24 C ATOM 234 C GLY A 16 42.614 25.368 -68.632 1.00 22.35 C ATOM 235 O GLY A 16 43.628 25.411 -67.935 1.00 73.33 O ATOM 0 H GLY A 16 44.663 25.076 -70.223 1.00 14.53 H new ATOM 0 HA2 GLY A 16 41.727 24.911 -70.523 1.00 0.24 H new ATOM 0 HA3 GLY A 16 42.618 23.582 -69.808 1.00 0.24 H new ATOM 239 N ASN A 17 41.472 25.935 -68.276 1.00 43.33 N ATOM 240 CA ASN A 17 41.330 26.613 -66.996 1.00 1.12 C ATOM 241 C ASN A 17 40.698 25.673 -65.976 1.00 62.33 C ATOM 242 O ASN A 17 39.845 24.854 -66.327 1.00 61.32 O ATOM 243 CB ASN A 17 40.480 27.879 -67.137 1.00 21.55 C ATOM 244 CG ASN A 17 41.089 28.889 -68.091 1.00 72.14 C ATOM 245 OD1 ASN A 17 40.792 28.890 -69.287 1.00 51.22 O ATOM 246 ND2 ASN A 17 41.954 29.751 -67.576 1.00 0.34 N ATOM 0 H ASN A 17 40.631 25.940 -68.854 1.00 43.33 H new ATOM 0 HA ASN A 17 42.322 26.904 -66.652 1.00 1.12 H new ATOM 0 HB2 ASN A 17 39.485 27.606 -67.489 1.00 21.55 H new ATOM 0 HB3 ASN A 17 40.356 28.340 -66.157 1.00 21.55 H new ATOM 0 HD21 ASN A 17 42.399 30.446 -68.175 1.00 0.34 H new ATOM 0 HD22 ASN A 17 42.175 29.719 -66.581 1.00 0.34 H new ATOM 253 N PRO A 18 41.119 25.761 -64.708 1.00 24.35 N ATOM 254 CA PRO A 18 40.612 24.895 -63.641 1.00 21.23 C ATOM 255 C PRO A 18 39.211 25.293 -63.173 1.00 14.44 C ATOM 256 O PRO A 18 38.282 24.484 -63.195 1.00 61.41 O ATOM 257 CB PRO A 18 41.627 25.090 -62.501 1.00 45.30 C ATOM 258 CG PRO A 18 42.743 25.907 -63.072 1.00 32.23 C ATOM 259 CD PRO A 18 42.147 26.681 -64.209 1.00 15.21 C ATOM 0 HA PRO A 18 40.517 23.862 -63.977 1.00 21.23 H new ATOM 0 HB2 PRO A 18 41.167 25.597 -61.653 1.00 45.30 H new ATOM 0 HB3 PRO A 18 41.994 24.130 -62.138 1.00 45.30 H new ATOM 0 HG2 PRO A 18 43.161 26.577 -62.320 1.00 32.23 H new ATOM 0 HG3 PRO A 18 43.556 25.269 -63.418 1.00 32.23 H new ATOM 0 HD2 PRO A 18 41.720 27.627 -63.877 1.00 15.21 H new ATOM 0 HD3 PRO A 18 42.888 26.916 -64.973 1.00 15.21 H new ATOM 267 N ASN A 19 39.063 26.545 -62.760 1.00 23.42 N ATOM 268 CA ASN A 19 37.796 27.033 -62.232 1.00 64.52 C ATOM 269 C ASN A 19 37.757 28.550 -62.333 1.00 63.24 C ATOM 270 O ASN A 19 38.764 29.217 -62.090 1.00 74.52 O ATOM 271 CB ASN A 19 37.629 26.590 -60.772 1.00 34.52 C ATOM 272 CG ASN A 19 36.210 26.748 -60.243 1.00 65.20 C ATOM 273 OD1 ASN A 19 35.473 27.651 -60.636 1.00 30.24 O ATOM 274 ND2 ASN A 19 35.820 25.860 -59.344 1.00 44.43 N ATOM 0 H ASN A 19 39.807 27.243 -62.781 1.00 23.42 H new ATOM 0 HA ASN A 19 36.975 26.616 -62.815 1.00 64.52 H new ATOM 0 HB2 ASN A 19 37.927 25.545 -60.682 1.00 34.52 H new ATOM 0 HB3 ASN A 19 38.307 27.170 -60.146 1.00 34.52 H new ATOM 0 HD21 ASN A 19 34.880 25.910 -58.952 1.00 44.43 H new ATOM 0 HD22 ASN A 19 36.460 25.125 -59.042 1.00 44.43 H new ATOM 281 N ASN A 20 36.606 29.086 -62.702 1.00 0.34 N ATOM 282 CA ASN A 20 36.454 30.525 -62.880 1.00 2.02 C ATOM 283 C ASN A 20 36.056 31.195 -61.567 1.00 40.34 C ATOM 284 O ASN A 20 36.385 32.359 -61.326 1.00 74.24 O ATOM 285 CB ASN A 20 35.399 30.814 -63.954 1.00 1.51 C ATOM 286 CG ASN A 20 35.299 32.289 -64.303 1.00 51.11 C ATOM 287 OD1 ASN A 20 34.526 33.036 -63.699 1.00 52.43 O ATOM 288 ND2 ASN A 20 36.074 32.714 -65.287 1.00 2.01 N ATOM 0 H ASN A 20 35.760 28.547 -62.885 1.00 0.34 H new ATOM 0 HA ASN A 20 37.413 30.933 -63.199 1.00 2.02 H new ATOM 0 HB2 ASN A 20 35.640 30.248 -64.854 1.00 1.51 H new ATOM 0 HB3 ASN A 20 34.428 30.461 -63.606 1.00 1.51 H new ATOM 0 HD21 ASN A 20 36.046 33.693 -65.572 1.00 2.01 H new ATOM 0 HD22 ASN A 20 36.700 32.063 -65.761 1.00 2.01 H new ATOM 295 N GLY A 21 35.370 30.453 -60.708 1.00 62.44 N ATOM 296 CA GLY A 21 34.845 31.036 -59.492 1.00 13.55 C ATOM 297 C GLY A 21 35.334 30.342 -58.240 1.00 0.45 C ATOM 298 O GLY A 21 36.497 30.495 -57.854 1.00 25.41 O ATOM 0 H GLY A 21 35.169 29.461 -60.832 1.00 62.44 H new ATOM 0 HA2 GLY A 21 35.126 32.088 -59.450 1.00 13.55 H new ATOM 0 HA3 GLY A 21 33.756 30.998 -59.519 1.00 13.55 H new ATOM 302 N ALA A 22 34.436 29.570 -57.623 1.00 11.14 N ATOM 303 CA ALA A 22 34.682 28.905 -56.338 1.00 24.15 C ATOM 304 C ALA A 22 34.703 29.906 -55.177 1.00 21.32 C ATOM 305 O ALA A 22 34.965 31.097 -55.371 1.00 64.10 O ATOM 306 CB ALA A 22 35.969 28.086 -56.362 1.00 21.11 C ATOM 0 H ALA A 22 33.508 29.386 -58.004 1.00 11.14 H new ATOM 0 HA ALA A 22 33.851 28.219 -56.176 1.00 24.15 H new ATOM 0 HB1 ALA A 22 36.115 27.610 -55.393 1.00 21.11 H new ATOM 0 HB2 ALA A 22 35.899 27.321 -57.135 1.00 21.11 H new ATOM 0 HB3 ALA A 22 36.813 28.741 -56.575 1.00 21.11 H new ATOM 312 N PHE A 23 34.402 29.399 -53.979 1.00 32.04 N ATOM 313 CA PHE A 23 34.385 30.194 -52.749 1.00 53.22 C ATOM 314 C PHE A 23 33.306 31.280 -52.798 1.00 65.32 C ATOM 315 O PHE A 23 33.561 32.423 -53.188 1.00 62.34 O ATOM 316 CB PHE A 23 35.767 30.805 -52.471 1.00 65.22 C ATOM 317 CG PHE A 23 35.876 31.482 -51.129 1.00 71.25 C ATOM 318 CD1 PHE A 23 35.896 32.865 -51.033 1.00 53.43 C ATOM 319 CD2 PHE A 23 35.960 30.734 -49.964 1.00 21.43 C ATOM 320 CE1 PHE A 23 36.000 33.487 -49.803 1.00 0.12 C ATOM 321 CE2 PHE A 23 36.062 31.353 -48.731 1.00 3.24 C ATOM 322 CZ PHE A 23 36.082 32.730 -48.651 1.00 64.54 C ATOM 0 H PHE A 23 34.162 28.418 -53.834 1.00 32.04 H new ATOM 0 HA PHE A 23 34.139 29.523 -51.926 1.00 53.22 H new ATOM 0 HB2 PHE A 23 36.520 30.019 -52.533 1.00 65.22 H new ATOM 0 HB3 PHE A 23 35.997 31.529 -53.252 1.00 65.22 H new ATOM 0 HD1 PHE A 23 35.830 33.463 -51.930 1.00 53.43 H new ATOM 0 HD2 PHE A 23 35.946 29.656 -50.020 1.00 21.43 H new ATOM 0 HE1 PHE A 23 36.017 34.565 -49.743 1.00 0.12 H new ATOM 0 HE2 PHE A 23 36.126 30.759 -47.832 1.00 3.24 H new ATOM 0 HZ PHE A 23 36.162 33.215 -47.689 1.00 64.54 H new ATOM 332 N LEU A 24 32.091 30.908 -52.413 1.00 53.34 N ATOM 333 CA LEU A 24 30.970 31.847 -52.388 1.00 51.34 C ATOM 334 C LEU A 24 30.308 31.860 -51.013 1.00 45.44 C ATOM 335 O LEU A 24 30.188 30.814 -50.375 1.00 10.11 O ATOM 336 CB LEU A 24 29.911 31.498 -53.450 1.00 62.32 C ATOM 337 CG LEU A 24 30.257 31.851 -54.906 1.00 3.14 C ATOM 338 CD1 LEU A 24 30.767 33.280 -55.013 1.00 23.03 C ATOM 339 CD2 LEU A 24 31.258 30.868 -55.493 1.00 11.23 C ATOM 0 H LEU A 24 31.854 29.962 -52.113 1.00 53.34 H new ATOM 0 HA LEU A 24 31.377 32.833 -52.611 1.00 51.34 H new ATOM 0 HB2 LEU A 24 29.714 30.427 -53.396 1.00 62.32 H new ATOM 0 HB3 LEU A 24 28.983 32.007 -53.187 1.00 62.32 H new ATOM 0 HG LEU A 24 29.340 31.775 -55.491 1.00 3.14 H new ATOM 0 HD11 LEU A 24 31.005 33.505 -56.053 1.00 23.03 H new ATOM 0 HD12 LEU A 24 29.999 33.968 -54.660 1.00 23.03 H new ATOM 0 HD13 LEU A 24 31.664 33.393 -54.403 1.00 23.03 H new ATOM 0 HD21 LEU A 24 31.481 31.147 -56.523 1.00 11.23 H new ATOM 0 HD22 LEU A 24 32.176 30.889 -54.905 1.00 11.23 H new ATOM 0 HD23 LEU A 24 30.836 29.863 -55.472 1.00 11.23 H new ATOM 351 N LEU A 25 29.913 33.061 -50.579 1.00 14.23 N ATOM 352 CA LEU A 25 29.142 33.295 -49.345 1.00 22.42 C ATOM 353 C LEU A 25 29.911 32.916 -48.074 1.00 42.44 C ATOM 354 O LEU A 25 30.812 32.075 -48.083 1.00 41.32 O ATOM 355 CB LEU A 25 27.760 32.598 -49.393 1.00 52.44 C ATOM 356 CG LEU A 25 27.717 31.094 -49.078 1.00 3.52 C ATOM 357 CD1 LEU A 25 27.510 30.847 -47.591 1.00 35.34 C ATOM 358 CD2 LEU A 25 26.624 30.413 -49.885 1.00 34.05 C ATOM 0 H LEU A 25 30.124 33.921 -51.085 1.00 14.23 H new ATOM 0 HA LEU A 25 28.976 34.371 -49.296 1.00 22.42 H new ATOM 0 HB2 LEU A 25 27.100 33.108 -48.691 1.00 52.44 H new ATOM 0 HB3 LEU A 25 27.342 32.746 -50.389 1.00 52.44 H new ATOM 0 HG LEU A 25 28.679 30.666 -49.359 1.00 3.52 H new ATOM 0 HD11 LEU A 25 27.484 29.774 -47.401 1.00 35.34 H new ATOM 0 HD12 LEU A 25 28.330 31.295 -47.030 1.00 35.34 H new ATOM 0 HD13 LEU A 25 26.567 31.294 -47.276 1.00 35.34 H new ATOM 0 HD21 LEU A 25 26.608 29.349 -49.650 1.00 34.05 H new ATOM 0 HD22 LEU A 25 25.659 30.855 -49.636 1.00 34.05 H new ATOM 0 HD23 LEU A 25 26.820 30.546 -50.949 1.00 34.05 H new ATOM 370 N ASN A 26 29.557 33.579 -46.982 1.00 73.20 N ATOM 371 CA ASN A 26 30.106 33.262 -45.671 1.00 60.40 C ATOM 372 C ASN A 26 29.008 33.342 -44.617 1.00 55.24 C ATOM 373 O ASN A 26 28.696 34.425 -44.117 1.00 70.31 O ATOM 374 CB ASN A 26 31.245 34.222 -45.304 1.00 52.12 C ATOM 375 CG ASN A 26 31.947 33.823 -44.016 1.00 31.52 C ATOM 376 OD1 ASN A 26 31.500 34.159 -42.918 1.00 61.41 O ATOM 377 ND2 ASN A 26 33.068 33.130 -44.137 1.00 0.40 N ATOM 0 H ASN A 26 28.886 34.347 -46.979 1.00 73.20 H new ATOM 0 HA ASN A 26 30.507 32.249 -45.705 1.00 60.40 H new ATOM 0 HB2 ASN A 26 31.971 34.248 -46.117 1.00 52.12 H new ATOM 0 HB3 ASN A 26 30.847 35.231 -45.200 1.00 52.12 H new ATOM 0 HD21 ASN A 26 33.591 32.857 -43.305 1.00 0.40 H new ATOM 0 HD22 ASN A 26 33.409 32.869 -45.062 1.00 0.40 H new ATOM 384 N SER A 27 28.398 32.191 -44.327 1.00 41.42 N ATOM 385 CA SER A 27 27.340 32.075 -43.317 1.00 71.35 C ATOM 386 C SER A 27 26.043 32.771 -43.753 1.00 32.44 C ATOM 387 O SER A 27 25.033 32.107 -44.006 1.00 10.41 O ATOM 388 CB SER A 27 27.817 32.630 -41.970 1.00 30.22 C ATOM 389 OG SER A 27 28.995 31.972 -41.536 1.00 62.34 O ATOM 0 H SER A 27 28.624 31.309 -44.787 1.00 41.42 H new ATOM 0 HA SER A 27 27.118 31.014 -43.206 1.00 71.35 H new ATOM 0 HB2 SER A 27 28.006 33.700 -42.060 1.00 30.22 H new ATOM 0 HB3 SER A 27 27.032 32.507 -41.224 1.00 30.22 H new ATOM 0 HG SER A 27 29.280 32.345 -40.676 1.00 62.34 H new ATOM 395 N ALA A 28 26.091 34.102 -43.840 1.00 11.40 N ATOM 396 CA ALA A 28 24.938 34.938 -44.179 1.00 74.12 C ATOM 397 C ALA A 28 23.837 34.839 -43.125 1.00 32.20 C ATOM 398 O ALA A 28 23.805 35.630 -42.178 1.00 40.33 O ATOM 399 CB ALA A 28 24.402 34.604 -45.567 1.00 11.11 C ATOM 0 H ALA A 28 26.944 34.637 -43.675 1.00 11.40 H new ATOM 0 HA ALA A 28 25.282 35.972 -44.193 1.00 74.12 H new ATOM 0 HB1 ALA A 28 23.546 35.241 -45.790 1.00 11.11 H new ATOM 0 HB2 ALA A 28 25.183 34.772 -46.309 1.00 11.11 H new ATOM 0 HB3 ALA A 28 24.093 33.559 -45.596 1.00 11.11 H new ATOM 405 N GLN A 29 22.968 33.847 -43.265 1.00 51.32 N ATOM 406 CA GLN A 29 21.831 33.686 -42.371 1.00 50.44 C ATOM 407 C GLN A 29 21.529 32.208 -42.145 1.00 51.32 C ATOM 408 O GLN A 29 21.196 31.477 -43.080 1.00 65.31 O ATOM 409 CB GLN A 29 20.603 34.405 -42.939 1.00 25.01 C ATOM 410 CG GLN A 29 19.354 34.268 -42.079 1.00 22.41 C ATOM 411 CD GLN A 29 19.557 34.758 -40.655 1.00 13.34 C ATOM 412 OE1 GLN A 29 20.356 35.656 -40.397 1.00 43.24 O ATOM 413 NE2 GLN A 29 18.835 34.161 -39.719 1.00 45.43 N ATOM 0 H GLN A 29 23.031 33.137 -43.995 1.00 51.32 H new ATOM 0 HA GLN A 29 22.082 34.133 -41.409 1.00 50.44 H new ATOM 0 HB2 GLN A 29 20.836 35.463 -43.057 1.00 25.01 H new ATOM 0 HB3 GLN A 29 20.392 34.012 -43.934 1.00 25.01 H new ATOM 0 HG2 GLN A 29 18.540 34.829 -42.538 1.00 22.41 H new ATOM 0 HG3 GLN A 29 19.047 33.222 -42.057 1.00 22.41 H new ATOM 0 HE21 GLN A 29 18.182 33.420 -39.974 1.00 45.43 H new ATOM 0 HE22 GLN A 29 18.931 34.443 -38.743 1.00 45.43 H new ATOM 422 N ALA A 30 21.657 31.787 -40.894 1.00 32.35 N ATOM 423 CA ALA A 30 21.437 30.402 -40.494 1.00 75.25 C ATOM 424 C ALA A 30 21.490 30.317 -38.978 1.00 2.24 C ATOM 425 O ALA A 30 21.239 31.316 -38.306 1.00 44.53 O ATOM 426 CB ALA A 30 22.488 29.496 -41.115 1.00 53.52 C ATOM 0 H ALA A 30 21.918 32.401 -40.122 1.00 32.35 H new ATOM 0 HA ALA A 30 20.460 30.070 -40.845 1.00 75.25 H new ATOM 0 HB1 ALA A 30 22.309 28.466 -40.806 1.00 53.52 H new ATOM 0 HB2 ALA A 30 22.431 29.564 -42.201 1.00 53.52 H new ATOM 0 HB3 ALA A 30 23.479 29.807 -40.783 1.00 53.52 H new ATOM 432 N GLN A 31 21.778 29.123 -38.446 1.00 62.43 N ATOM 433 CA GLN A 31 22.058 28.943 -37.014 1.00 45.15 C ATOM 434 C GLN A 31 20.787 29.006 -36.159 1.00 11.34 C ATOM 435 O GLN A 31 20.780 28.513 -35.029 1.00 33.30 O ATOM 436 CB GLN A 31 23.073 30.006 -36.548 1.00 15.14 C ATOM 437 CG GLN A 31 23.437 29.945 -35.072 1.00 52.33 C ATOM 438 CD GLN A 31 24.236 28.715 -34.709 1.00 4.22 C ATOM 439 OE1 GLN A 31 25.464 28.714 -34.796 1.00 75.53 O ATOM 440 NE2 GLN A 31 23.552 27.671 -34.274 1.00 5.45 N ATOM 0 H GLN A 31 21.824 28.261 -38.989 1.00 62.43 H new ATOM 0 HA GLN A 31 22.480 27.947 -36.881 1.00 45.15 H new ATOM 0 HB2 GLN A 31 23.984 29.899 -37.136 1.00 15.14 H new ATOM 0 HB3 GLN A 31 22.667 30.994 -36.766 1.00 15.14 H new ATOM 0 HG2 GLN A 31 24.010 30.834 -34.808 1.00 52.33 H new ATOM 0 HG3 GLN A 31 22.524 29.966 -34.477 1.00 52.33 H new ATOM 0 HE21 GLN A 31 22.535 27.715 -34.218 1.00 5.45 H new ATOM 0 HE22 GLN A 31 24.042 26.821 -33.994 1.00 5.45 H new ATOM 449 N ASN A 32 19.714 29.562 -36.728 1.00 32.35 N ATOM 450 CA ASN A 32 18.492 29.879 -35.986 1.00 60.00 C ATOM 451 C ASN A 32 18.748 31.067 -35.064 1.00 24.31 C ATOM 452 O ASN A 32 19.525 30.981 -34.112 1.00 12.35 O ATOM 453 CB ASN A 32 17.958 28.671 -35.198 1.00 55.23 C ATOM 454 CG ASN A 32 16.753 29.020 -34.340 1.00 52.21 C ATOM 455 OD1 ASN A 32 16.883 29.338 -33.157 1.00 64.01 O ATOM 456 ND2 ASN A 32 15.572 28.969 -34.933 1.00 12.22 N ATOM 0 H ASN A 32 19.669 29.805 -37.718 1.00 32.35 H new ATOM 0 HA ASN A 32 17.718 30.143 -36.707 1.00 60.00 H new ATOM 0 HB2 ASN A 32 17.686 27.879 -35.895 1.00 55.23 H new ATOM 0 HB3 ASN A 32 18.751 28.277 -34.562 1.00 55.23 H new ATOM 0 HD21 ASN A 32 14.728 29.198 -34.408 1.00 12.22 H new ATOM 0 HD22 ASN A 32 15.506 28.701 -35.915 1.00 12.22 H new ATOM 463 N SER A 33 18.112 32.187 -35.368 1.00 43.41 N ATOM 464 CA SER A 33 18.361 33.417 -34.638 1.00 24.32 C ATOM 465 C SER A 33 17.703 33.380 -33.263 1.00 0.13 C ATOM 466 O SER A 33 16.496 33.601 -33.131 1.00 23.01 O ATOM 467 CB SER A 33 17.853 34.615 -35.441 1.00 74.21 C ATOM 468 OG SER A 33 18.423 34.630 -36.743 1.00 5.52 O ATOM 0 H SER A 33 17.421 32.269 -36.114 1.00 43.41 H new ATOM 0 HA SER A 33 19.437 33.518 -34.493 1.00 24.32 H new ATOM 0 HB2 SER A 33 16.766 34.574 -35.516 1.00 74.21 H new ATOM 0 HB3 SER A 33 18.102 35.539 -34.920 1.00 74.21 H new ATOM 0 HG SER A 33 18.790 35.519 -36.929 1.00 5.52 H new ATOM 474 N TYR A 34 18.500 33.060 -32.249 1.00 44.31 N ATOM 475 CA TYR A 34 18.040 33.086 -30.869 1.00 61.24 C ATOM 476 C TYR A 34 17.616 34.500 -30.506 1.00 73.24 C ATOM 477 O TYR A 34 18.343 35.457 -30.777 1.00 62.43 O ATOM 478 CB TYR A 34 19.151 32.630 -29.919 1.00 13.13 C ATOM 479 CG TYR A 34 19.751 31.287 -30.266 1.00 74.24 C ATOM 480 CD1 TYR A 34 20.902 31.201 -31.038 1.00 25.42 C ATOM 481 CD2 TYR A 34 19.172 30.107 -29.817 1.00 64.13 C ATOM 482 CE1 TYR A 34 21.462 29.978 -31.353 1.00 53.30 C ATOM 483 CE2 TYR A 34 19.724 28.880 -30.129 1.00 70.13 C ATOM 484 CZ TYR A 34 20.869 28.820 -30.897 1.00 21.34 C ATOM 485 OH TYR A 34 21.423 27.599 -31.204 1.00 74.43 O ATOM 0 H TYR A 34 19.474 32.778 -32.361 1.00 44.31 H new ATOM 0 HA TYR A 34 17.195 32.405 -30.770 1.00 61.24 H new ATOM 0 HB2 TYR A 34 19.943 33.379 -29.917 1.00 13.13 H new ATOM 0 HB3 TYR A 34 18.752 32.586 -28.906 1.00 13.13 H new ATOM 0 HD1 TYR A 34 21.368 32.106 -31.399 1.00 25.42 H new ATOM 0 HD2 TYR A 34 18.277 30.150 -29.215 1.00 64.13 H new ATOM 0 HE1 TYR A 34 22.359 29.929 -31.953 1.00 53.30 H new ATOM 0 HE2 TYR A 34 19.261 27.971 -29.773 1.00 70.13 H new ATOM 0 HH TYR A 34 21.364 27.008 -30.425 1.00 74.43 H new ATOM 495 N LYS A 35 16.444 34.642 -29.913 1.00 52.32 N ATOM 496 CA LYS A 35 15.947 35.957 -29.555 1.00 32.34 C ATOM 497 C LYS A 35 16.191 36.222 -28.073 1.00 3.52 C ATOM 498 O LYS A 35 15.605 37.131 -27.480 1.00 34.43 O ATOM 499 CB LYS A 35 14.462 36.073 -29.897 1.00 4.45 C ATOM 500 CG LYS A 35 14.031 37.487 -30.256 1.00 64.01 C ATOM 501 CD LYS A 35 12.535 37.579 -30.491 1.00 53.33 C ATOM 502 CE LYS A 35 12.150 38.935 -31.059 1.00 71.43 C ATOM 503 NZ LYS A 35 10.677 39.131 -31.082 1.00 25.44 N1+ ATOM 0 H LYS A 35 15.824 33.869 -29.671 1.00 52.32 H new ATOM 0 HA LYS A 35 16.485 36.711 -30.130 1.00 32.34 H new ATOM 0 HB2 LYS A 35 14.237 35.410 -30.732 1.00 4.45 H new ATOM 0 HB3 LYS A 35 13.873 35.727 -29.047 1.00 4.45 H new ATOM 0 HG2 LYS A 35 14.315 38.168 -29.454 1.00 64.01 H new ATOM 0 HG3 LYS A 35 14.560 37.812 -31.152 1.00 64.01 H new ATOM 0 HD2 LYS A 35 12.223 36.792 -31.178 1.00 53.33 H new ATOM 0 HD3 LYS A 35 12.006 37.411 -29.553 1.00 53.33 H new ATOM 0 HE2 LYS A 35 12.611 39.722 -30.462 1.00 71.43 H new ATOM 0 HE3 LYS A 35 12.544 39.029 -32.071 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 10.458 40.068 -31.476 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 10.238 38.396 -31.672 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 10.303 39.067 -30.114 1.00 25.44 H new ATOM 517 N ASP A 36 17.071 35.423 -27.488 1.00 74.53 N ATOM 518 CA ASP A 36 17.475 35.603 -26.105 1.00 12.22 C ATOM 519 C ASP A 36 19.003 35.564 -26.028 1.00 2.12 C ATOM 520 O ASP A 36 19.655 35.100 -26.964 1.00 1.02 O ATOM 521 CB ASP A 36 16.834 34.538 -25.199 1.00 13.10 C ATOM 522 CG ASP A 36 17.605 33.233 -25.146 1.00 53.20 C ATOM 523 OD1 ASP A 36 17.264 32.305 -25.910 1.00 0.23 O ATOM 524 OD2 ASP A 36 18.522 33.121 -24.302 1.00 61.43 O1- ATOM 0 H ASP A 36 17.522 34.637 -27.957 1.00 74.53 H new ATOM 0 HA ASP A 36 17.126 36.571 -25.745 1.00 12.22 H new ATOM 0 HB2 ASP A 36 16.747 34.939 -24.189 1.00 13.10 H new ATOM 0 HB3 ASP A 36 15.822 34.337 -25.551 1.00 13.10 H new ATOM 529 N PRO A 37 19.594 36.060 -24.924 1.00 13.20 N ATOM 530 CA PRO A 37 21.049 36.260 -24.822 1.00 63.51 C ATOM 531 C PRO A 37 21.886 34.981 -24.935 1.00 54.33 C ATOM 532 O PRO A 37 23.079 35.052 -25.241 1.00 45.11 O ATOM 533 CB PRO A 37 21.232 36.884 -23.434 1.00 21.24 C ATOM 534 CG PRO A 37 20.000 36.524 -22.681 1.00 41.34 C ATOM 535 CD PRO A 37 18.898 36.477 -23.697 1.00 70.22 C ATOM 0 HA PRO A 37 21.400 36.873 -25.652 1.00 63.51 H new ATOM 0 HB2 PRO A 37 22.123 36.495 -22.941 1.00 21.24 H new ATOM 0 HB3 PRO A 37 21.351 37.965 -23.501 1.00 21.24 H new ATOM 0 HG2 PRO A 37 20.114 35.561 -22.183 1.00 41.34 H new ATOM 0 HG3 PRO A 37 19.786 37.260 -21.906 1.00 41.34 H new ATOM 0 HD2 PRO A 37 18.119 35.769 -23.415 1.00 70.22 H new ATOM 0 HD3 PRO A 37 18.418 37.448 -23.816 1.00 70.22 H new ATOM 543 N SER A 38 21.285 33.821 -24.706 1.00 14.04 N ATOM 544 CA SER A 38 22.057 32.589 -24.677 1.00 55.00 C ATOM 545 C SER A 38 21.362 31.461 -25.437 1.00 15.51 C ATOM 546 O SER A 38 21.799 31.079 -26.526 1.00 61.15 O ATOM 547 CB SER A 38 22.320 32.169 -23.226 1.00 62.11 C ATOM 548 OG SER A 38 23.109 30.991 -23.154 1.00 2.22 O ATOM 0 H SER A 38 20.285 33.708 -24.541 1.00 14.04 H new ATOM 0 HA SER A 38 23.006 32.782 -25.177 1.00 55.00 H new ATOM 0 HB2 SER A 38 22.826 32.978 -22.699 1.00 62.11 H new ATOM 0 HB3 SER A 38 21.370 32.002 -22.718 1.00 62.11 H new ATOM 0 HG SER A 38 23.258 30.754 -22.215 1.00 2.22 H new ATOM 554 N TYR A 39 20.272 30.953 -24.874 1.00 43.44 N ATOM 555 CA TYR A 39 19.627 29.751 -25.386 1.00 20.45 C ATOM 556 C TYR A 39 18.407 29.428 -24.533 1.00 62.10 C ATOM 557 O TYR A 39 18.449 29.602 -23.315 1.00 24.30 O ATOM 558 CB TYR A 39 20.612 28.573 -25.333 1.00 32.34 C ATOM 559 CG TYR A 39 20.319 27.447 -26.305 1.00 55.01 C ATOM 560 CD1 TYR A 39 19.159 26.686 -26.208 1.00 1.41 C ATOM 561 CD2 TYR A 39 21.217 27.141 -27.320 1.00 62.40 C ATOM 562 CE1 TYR A 39 18.906 25.656 -27.093 1.00 74.42 C ATOM 563 CE2 TYR A 39 20.969 26.115 -28.208 1.00 23.44 C ATOM 564 CZ TYR A 39 19.812 25.378 -28.091 1.00 40.22 C ATOM 565 OH TYR A 39 19.564 24.351 -28.971 1.00 3.35 O ATOM 0 H TYR A 39 19.814 31.358 -24.058 1.00 43.44 H new ATOM 0 HA TYR A 39 19.318 29.919 -26.418 1.00 20.45 H new ATOM 0 HB2 TYR A 39 21.616 28.950 -25.529 1.00 32.34 H new ATOM 0 HB3 TYR A 39 20.616 28.167 -24.321 1.00 32.34 H new ATOM 0 HD1 TYR A 39 18.444 26.904 -25.428 1.00 1.41 H new ATOM 0 HD2 TYR A 39 22.126 27.717 -27.415 1.00 62.40 H new ATOM 0 HE1 TYR A 39 18.002 25.072 -27.002 1.00 74.42 H new ATOM 0 HE2 TYR A 39 21.679 25.891 -28.991 1.00 23.44 H new ATOM 0 HH TYR A 39 20.300 24.287 -29.615 1.00 3.35 H new ATOM 575 N ASN A 40 17.324 28.985 -25.182 1.00 65.22 N ATOM 576 CA ASN A 40 16.116 28.503 -24.495 1.00 3.22 C ATOM 577 C ASN A 40 15.557 29.517 -23.496 1.00 70.45 C ATOM 578 O ASN A 40 14.889 29.154 -22.526 1.00 15.21 O ATOM 579 CB ASN A 40 16.357 27.085 -23.894 1.00 75.20 C ATOM 580 CG ASN A 40 17.165 26.992 -22.591 1.00 64.02 C ATOM 581 OD1 ASN A 40 16.943 27.870 -21.628 1.00 40.50 O flip ATOM 582 ND2 ASN A 40 17.972 26.076 -22.446 1.00 70.04 N flip ATOM 0 H ASN A 40 17.259 28.950 -26.199 1.00 65.22 H new ATOM 0 HA ASN A 40 15.324 28.398 -25.237 1.00 3.22 H new ATOM 0 HB2 ASN A 40 15.385 26.624 -23.720 1.00 75.20 H new ATOM 0 HB3 ASN A 40 16.864 26.483 -24.648 1.00 75.20 H new ATOM 0 HD21 ASN A 40 18.128 25.409 -23.202 1.00 70.04 H new ATOM 0 HD22 ASN A 40 18.485 25.983 -21.570 1.00 70.04 H new ATOM 589 N ASP A 41 15.787 30.795 -23.797 1.00 1.43 N ATOM 590 CA ASP A 41 15.333 31.911 -22.966 1.00 42.41 C ATOM 591 C ASP A 41 16.156 31.994 -21.687 1.00 73.04 C ATOM 592 O ASP A 41 15.803 31.421 -20.653 1.00 20.40 O ATOM 593 CB ASP A 41 13.833 31.813 -22.653 1.00 75.34 C ATOM 594 CG ASP A 41 13.303 33.040 -21.935 1.00 44.10 C ATOM 595 OD1 ASP A 41 12.968 32.936 -20.737 1.00 61.14 O ATOM 596 OD2 ASP A 41 13.205 34.111 -22.575 1.00 31.02 O1- ATOM 0 H ASP A 41 16.297 31.087 -24.630 1.00 1.43 H new ATOM 0 HA ASP A 41 15.484 32.830 -23.532 1.00 42.41 H new ATOM 0 HB2 ASP A 41 13.281 31.674 -23.582 1.00 75.34 H new ATOM 0 HB3 ASP A 41 13.651 30.931 -22.039 1.00 75.34 H new ATOM 601 N ASP A 42 17.285 32.678 -21.797 1.00 64.11 N ATOM 602 CA ASP A 42 18.206 32.866 -20.684 1.00 22.32 C ATOM 603 C ASP A 42 17.762 34.026 -19.795 1.00 12.21 C ATOM 604 O ASP A 42 18.132 34.093 -18.625 1.00 2.23 O ATOM 605 CB ASP A 42 19.612 33.127 -21.234 1.00 70.12 C ATOM 606 CG ASP A 42 20.630 33.451 -20.158 1.00 70.01 C ATOM 607 OD1 ASP A 42 21.151 32.510 -19.527 1.00 24.15 O ATOM 608 OD2 ASP A 42 20.928 34.647 -19.960 1.00 23.10 O1- ATOM 0 H ASP A 42 17.590 33.120 -22.664 1.00 64.11 H new ATOM 0 HA ASP A 42 18.212 31.963 -20.074 1.00 22.32 H new ATOM 0 HB2 ASP A 42 19.946 32.249 -21.787 1.00 70.12 H new ATOM 0 HB3 ASP A 42 19.569 33.953 -21.943 1.00 70.12 H new ATOM 613 N PHE A 43 16.965 34.931 -20.377 1.00 34.33 N ATOM 614 CA PHE A 43 16.452 36.143 -19.705 1.00 42.52 C ATOM 615 C PHE A 43 17.542 36.915 -18.948 1.00 55.15 C ATOM 616 O PHE A 43 17.254 37.682 -18.027 1.00 42.21 O ATOM 617 CB PHE A 43 15.242 35.835 -18.786 1.00 45.40 C ATOM 618 CG PHE A 43 15.501 34.923 -17.614 1.00 60.21 C ATOM 619 CD1 PHE A 43 15.205 33.573 -17.693 1.00 61.42 C ATOM 620 CD2 PHE A 43 16.022 35.420 -16.429 1.00 74.23 C ATOM 621 CE1 PHE A 43 15.426 32.738 -16.618 1.00 3.13 C ATOM 622 CE2 PHE A 43 16.247 34.587 -15.350 1.00 34.35 C ATOM 623 CZ PHE A 43 15.949 33.244 -15.445 1.00 75.22 C ATOM 0 H PHE A 43 16.650 34.845 -21.343 1.00 34.33 H new ATOM 0 HA PHE A 43 16.102 36.796 -20.504 1.00 42.52 H new ATOM 0 HB2 PHE A 43 14.855 36.780 -18.404 1.00 45.40 H new ATOM 0 HB3 PHE A 43 14.455 35.391 -19.396 1.00 45.40 H new ATOM 0 HD1 PHE A 43 14.796 33.169 -18.607 1.00 61.42 H new ATOM 0 HD2 PHE A 43 16.255 36.472 -16.348 1.00 74.23 H new ATOM 0 HE1 PHE A 43 15.190 31.687 -16.694 1.00 3.13 H new ATOM 0 HE2 PHE A 43 16.656 34.987 -14.434 1.00 34.35 H new ATOM 0 HZ PHE A 43 16.124 32.590 -14.604 1.00 75.22 H new ATOM 633 N GLY A 44 18.787 36.761 -19.385 1.00 3.11 N ATOM 634 CA GLY A 44 19.886 37.483 -18.770 1.00 42.15 C ATOM 635 C GLY A 44 20.022 38.893 -19.313 1.00 3.45 C ATOM 636 O GLY A 44 21.029 39.562 -19.090 1.00 74.52 O ATOM 0 H GLY A 44 19.055 36.148 -20.155 1.00 3.11 H new ATOM 0 HA2 GLY A 44 19.733 37.524 -17.692 1.00 42.15 H new ATOM 0 HA3 GLY A 44 20.815 36.939 -18.939 1.00 42.15 H new ATOM 640 N ILE A 45 18.996 39.343 -20.024 1.00 51.24 N ATOM 641 CA ILE A 45 18.970 40.685 -20.595 1.00 71.42 C ATOM 642 C ILE A 45 18.836 41.721 -19.486 1.00 20.41 C ATOM 643 O ILE A 45 19.281 42.860 -19.612 1.00 25.51 O ATOM 644 CB ILE A 45 17.788 40.843 -21.580 1.00 34.42 C ATOM 645 CG1 ILE A 45 17.783 39.701 -22.601 1.00 11.31 C ATOM 646 CG2 ILE A 45 17.866 42.187 -22.294 1.00 54.24 C ATOM 647 CD1 ILE A 45 16.569 39.696 -23.508 1.00 75.24 C ATOM 0 H ILE A 45 18.161 38.791 -20.221 1.00 51.24 H new ATOM 0 HA ILE A 45 19.904 40.839 -21.135 1.00 71.42 H new ATOM 0 HB ILE A 45 16.859 40.804 -21.010 1.00 34.42 H new ATOM 0 HG12 ILE A 45 18.682 39.770 -23.213 1.00 11.31 H new ATOM 0 HG13 ILE A 45 17.832 38.751 -22.069 1.00 11.31 H new ATOM 0 HG21 ILE A 45 17.027 42.282 -22.983 1.00 54.24 H new ATOM 0 HG22 ILE A 45 17.826 42.992 -21.560 1.00 54.24 H new ATOM 0 HG23 ILE A 45 18.801 42.250 -22.850 1.00 54.24 H new ATOM 0 HD11 ILE A 45 16.637 38.859 -24.203 1.00 75.24 H new ATOM 0 HD12 ILE A 45 15.666 39.595 -22.906 1.00 75.24 H new ATOM 0 HD13 ILE A 45 16.529 40.630 -24.068 1.00 75.24 H new ATOM 659 N GLU A 46 18.239 41.290 -18.386 1.00 65.21 N ATOM 660 CA GLU A 46 17.979 42.161 -17.252 1.00 41.54 C ATOM 661 C GLU A 46 19.253 42.430 -16.449 1.00 5.12 C ATOM 662 O GLU A 46 19.271 43.286 -15.564 1.00 43.23 O ATOM 663 CB GLU A 46 16.913 41.529 -16.360 1.00 55.55 C ATOM 664 CG GLU A 46 15.582 41.319 -17.066 1.00 14.53 C ATOM 665 CD GLU A 46 14.567 40.598 -16.204 1.00 0.14 C ATOM 666 OE1 GLU A 46 14.165 41.155 -15.164 1.00 65.32 O ATOM 667 OE2 GLU A 46 14.157 39.475 -16.568 1.00 5.55 O1- ATOM 0 H GLU A 46 17.922 40.329 -18.255 1.00 65.21 H new ATOM 0 HA GLU A 46 17.620 43.119 -17.628 1.00 41.54 H new ATOM 0 HB2 GLU A 46 17.278 40.569 -15.995 1.00 55.55 H new ATOM 0 HB3 GLU A 46 16.757 42.163 -15.487 1.00 55.55 H new ATOM 0 HG2 GLU A 46 15.177 42.286 -17.363 1.00 14.53 H new ATOM 0 HG3 GLU A 46 15.747 40.748 -17.980 1.00 14.53 H new ATOM 674 N THR A 47 20.321 41.711 -16.764 1.00 53.34 N ATOM 675 CA THR A 47 21.581 41.881 -16.061 1.00 11.21 C ATOM 676 C THR A 47 22.743 42.097 -17.040 1.00 2.33 C ATOM 677 O THR A 47 23.512 41.177 -17.336 1.00 31.14 O ATOM 678 CB THR A 47 21.865 40.689 -15.109 1.00 14.13 C ATOM 679 OG1 THR A 47 23.197 40.767 -14.578 1.00 60.32 O ATOM 680 CG2 THR A 47 21.666 39.353 -15.815 1.00 31.14 C ATOM 0 H THR A 47 20.339 41.006 -17.501 1.00 53.34 H new ATOM 0 HA THR A 47 21.493 42.778 -15.448 1.00 11.21 H new ATOM 0 HB THR A 47 21.151 40.752 -14.287 1.00 14.13 H new ATOM 0 HG1 THR A 47 23.356 40.007 -13.979 1.00 60.32 H new ATOM 0 HG21 THR A 47 21.873 38.540 -15.120 1.00 31.14 H new ATOM 0 HG22 THR A 47 20.637 39.277 -16.166 1.00 31.14 H new ATOM 0 HG23 THR A 47 22.345 39.286 -16.665 1.00 31.14 H new ATOM 688 N PRO A 48 22.867 43.320 -17.580 1.00 63.35 N ATOM 689 CA PRO A 48 23.963 43.690 -18.466 1.00 21.13 C ATOM 690 C PRO A 48 25.248 43.937 -17.684 1.00 23.22 C ATOM 691 O PRO A 48 25.451 45.014 -17.123 1.00 30.10 O ATOM 692 CB PRO A 48 23.481 44.989 -19.139 1.00 72.10 C ATOM 693 CG PRO A 48 22.072 45.192 -18.675 1.00 2.42 C ATOM 694 CD PRO A 48 21.946 44.443 -17.383 1.00 3.12 C ATOM 0 HA PRO A 48 24.196 42.903 -19.183 1.00 21.13 H new ATOM 0 HB2 PRO A 48 24.111 45.833 -18.856 1.00 72.10 H new ATOM 0 HB3 PRO A 48 23.527 44.907 -20.225 1.00 72.10 H new ATOM 0 HG2 PRO A 48 21.857 46.251 -18.534 1.00 2.42 H new ATOM 0 HG3 PRO A 48 21.362 44.819 -19.412 1.00 2.42 H new ATOM 0 HD2 PRO A 48 22.230 45.057 -16.528 1.00 3.12 H new ATOM 0 HD3 PRO A 48 20.925 44.105 -17.207 1.00 3.12 H new ATOM 702 N SER A 49 26.095 42.925 -17.616 1.00 1.52 N ATOM 703 CA SER A 49 27.340 43.027 -16.876 1.00 71.45 C ATOM 704 C SER A 49 28.521 42.676 -17.774 1.00 5.40 C ATOM 705 O SER A 49 29.482 43.437 -17.884 1.00 55.33 O ATOM 706 CB SER A 49 27.298 42.102 -15.659 1.00 4.01 C ATOM 707 OG SER A 49 26.117 42.320 -14.897 1.00 52.25 O ATOM 0 H SER A 49 25.943 42.022 -18.065 1.00 1.52 H new ATOM 0 HA SER A 49 27.465 44.054 -16.533 1.00 71.45 H new ATOM 0 HB2 SER A 49 27.338 41.063 -15.985 1.00 4.01 H new ATOM 0 HB3 SER A 49 28.175 42.275 -15.035 1.00 4.01 H new ATOM 0 HG SER A 49 26.110 41.717 -14.125 1.00 52.25 H new ATOM 713 N ALA A 50 28.431 41.532 -18.441 1.00 4.34 N ATOM 714 CA ALA A 50 29.500 41.079 -19.319 1.00 71.23 C ATOM 715 C ALA A 50 29.354 41.701 -20.700 1.00 52.43 C ATOM 716 O ALA A 50 30.301 42.266 -21.247 1.00 63.35 O ATOM 717 CB ALA A 50 29.500 39.561 -19.419 1.00 52.42 C ATOM 0 H ALA A 50 27.630 40.903 -18.390 1.00 4.34 H new ATOM 0 HA ALA A 50 30.452 41.398 -18.895 1.00 71.23 H new ATOM 0 HB1 ALA A 50 30.306 39.240 -20.079 1.00 52.42 H new ATOM 0 HB2 ALA A 50 29.649 39.131 -18.429 1.00 52.42 H new ATOM 0 HB3 ALA A 50 28.545 39.223 -19.821 1.00 52.42 H new ATOM 723 N LEU A 51 28.150 41.613 -21.252 1.00 14.24 N ATOM 724 CA LEU A 51 27.864 42.170 -22.569 1.00 65.24 C ATOM 725 C LEU A 51 27.729 43.692 -22.512 1.00 54.11 C ATOM 726 O LEU A 51 27.683 44.362 -23.546 1.00 73.42 O ATOM 727 CB LEU A 51 26.597 41.523 -23.153 1.00 34.13 C ATOM 728 CG LEU A 51 25.374 41.472 -22.223 1.00 14.14 C ATOM 729 CD1 LEU A 51 24.669 42.818 -22.158 1.00 42.24 C ATOM 730 CD2 LEU A 51 24.410 40.384 -22.676 1.00 32.32 C ATOM 0 H LEU A 51 27.353 41.159 -20.806 1.00 14.24 H new ATOM 0 HA LEU A 51 28.704 41.944 -23.226 1.00 65.24 H new ATOM 0 HB2 LEU A 51 26.319 42.067 -24.056 1.00 34.13 H new ATOM 0 HB3 LEU A 51 26.840 40.505 -23.456 1.00 34.13 H new ATOM 0 HG LEU A 51 25.726 41.234 -21.219 1.00 14.14 H new ATOM 0 HD11 LEU A 51 23.809 42.747 -21.492 1.00 42.24 H new ATOM 0 HD12 LEU A 51 25.359 43.572 -21.780 1.00 42.24 H new ATOM 0 HD13 LEU A 51 24.333 43.101 -23.155 1.00 42.24 H new ATOM 0 HD21 LEU A 51 23.549 40.360 -22.008 1.00 32.32 H new ATOM 0 HD22 LEU A 51 24.075 40.594 -23.692 1.00 32.32 H new ATOM 0 HD23 LEU A 51 24.915 39.418 -22.653 1.00 32.32 H new ATOM 742 N ASP A 52 27.678 44.226 -21.294 1.00 2.23 N ATOM 743 CA ASP A 52 27.536 45.666 -21.078 1.00 12.25 C ATOM 744 C ASP A 52 28.668 46.433 -21.744 1.00 34.31 C ATOM 745 O ASP A 52 28.440 47.418 -22.443 1.00 33.15 O ATOM 746 CB ASP A 52 27.522 45.983 -19.583 1.00 5.20 C ATOM 747 CG ASP A 52 27.538 47.475 -19.305 1.00 62.52 C ATOM 748 OD1 ASP A 52 26.466 48.104 -19.361 1.00 12.41 O ATOM 749 OD2 ASP A 52 28.627 48.021 -19.015 1.00 63.02 O1- ATOM 0 H ASP A 52 27.733 43.679 -20.435 1.00 2.23 H new ATOM 0 HA ASP A 52 26.591 45.976 -21.524 1.00 12.25 H new ATOM 0 HB2 ASP A 52 26.634 45.542 -19.130 1.00 5.20 H new ATOM 0 HB3 ASP A 52 28.387 45.519 -19.108 1.00 5.20 H new ATOM 754 N ASN A 53 29.883 45.938 -21.552 1.00 61.25 N ATOM 755 CA ASN A 53 31.087 46.589 -22.066 1.00 42.12 C ATOM 756 C ASN A 53 31.063 46.679 -23.590 1.00 63.01 C ATOM 757 O ASN A 53 31.808 47.452 -24.186 1.00 23.25 O ATOM 758 CB ASN A 53 32.343 45.834 -21.616 1.00 44.53 C ATOM 759 CG ASN A 53 32.475 45.727 -20.104 1.00 73.01 C ATOM 760 OD1 ASN A 53 31.483 45.623 -19.378 1.00 72.42 O ATOM 761 ND2 ASN A 53 33.704 45.748 -19.615 1.00 31.23 N ATOM 0 H ASN A 53 30.065 45.076 -21.037 1.00 61.25 H new ATOM 0 HA ASN A 53 31.110 47.600 -21.660 1.00 42.12 H new ATOM 0 HB2 ASN A 53 32.328 44.832 -22.044 1.00 44.53 H new ATOM 0 HB3 ASN A 53 33.223 46.338 -22.015 1.00 44.53 H new ATOM 0 HD21 ASN A 53 33.854 45.677 -18.609 1.00 31.23 H new ATOM 0 HD22 ASN A 53 34.502 45.835 -20.244 1.00 31.23 H new ATOM 768 N PHE A 54 30.205 45.881 -24.214 1.00 22.14 N ATOM 769 CA PHE A 54 30.081 45.880 -25.664 1.00 43.23 C ATOM 770 C PHE A 54 28.886 46.727 -26.102 1.00 0.30 C ATOM 771 O PHE A 54 29.005 47.559 -27.001 1.00 51.31 O ATOM 772 CB PHE A 54 29.932 44.448 -26.188 1.00 64.13 C ATOM 773 CG PHE A 54 29.861 44.352 -27.688 1.00 32.43 C ATOM 774 CD1 PHE A 54 31.005 44.485 -28.460 1.00 20.25 C ATOM 775 CD2 PHE A 54 28.651 44.120 -28.327 1.00 52.44 C ATOM 776 CE1 PHE A 54 30.946 44.391 -29.836 1.00 74.25 C ATOM 777 CE2 PHE A 54 28.586 44.025 -29.705 1.00 41.13 C ATOM 778 CZ PHE A 54 29.735 44.160 -30.459 1.00 1.54 C ATOM 0 H PHE A 54 29.585 45.226 -23.737 1.00 22.14 H new ATOM 0 HA PHE A 54 30.988 46.314 -26.084 1.00 43.23 H new ATOM 0 HB2 PHE A 54 30.774 43.853 -25.835 1.00 64.13 H new ATOM 0 HB3 PHE A 54 29.030 44.008 -25.762 1.00 64.13 H new ATOM 0 HD1 PHE A 54 31.955 44.665 -27.978 1.00 20.25 H new ATOM 0 HD2 PHE A 54 27.750 44.012 -27.741 1.00 52.44 H new ATOM 0 HE1 PHE A 54 31.845 44.498 -30.424 1.00 74.25 H new ATOM 0 HE2 PHE A 54 27.638 43.846 -30.191 1.00 41.13 H new ATOM 0 HZ PHE A 54 29.687 44.085 -31.535 1.00 1.54 H new ATOM 788 N THR A 55 27.742 46.522 -25.454 1.00 75.41 N ATOM 789 CA THR A 55 26.517 47.221 -25.829 1.00 62.12 C ATOM 790 C THR A 55 26.607 48.716 -25.502 1.00 21.25 C ATOM 791 O THR A 55 26.048 49.551 -26.217 1.00 1.24 O ATOM 792 CB THR A 55 25.273 46.592 -25.143 1.00 4.21 C ATOM 793 OG1 THR A 55 24.071 47.227 -25.591 1.00 21.43 O ATOM 794 CG2 THR A 55 25.354 46.696 -23.629 1.00 4.31 C ATOM 0 H THR A 55 27.638 45.879 -24.669 1.00 75.41 H new ATOM 0 HA THR A 55 26.402 47.113 -26.907 1.00 62.12 H new ATOM 0 HB THR A 55 25.257 45.538 -25.421 1.00 4.21 H new ATOM 0 HG1 THR A 55 23.299 46.816 -25.149 1.00 21.43 H new ATOM 0 HG21 THR A 55 24.466 46.245 -23.185 1.00 4.31 H new ATOM 0 HG22 THR A 55 26.242 46.172 -23.275 1.00 4.31 H new ATOM 0 HG23 THR A 55 25.412 47.745 -23.339 1.00 4.31 H new ATOM 802 N GLN A 56 27.343 49.053 -24.447 1.00 32.54 N ATOM 803 CA GLN A 56 27.466 50.442 -24.020 1.00 40.22 C ATOM 804 C GLN A 56 28.253 51.250 -25.049 1.00 42.31 C ATOM 805 O GLN A 56 28.005 52.441 -25.238 1.00 33.50 O ATOM 806 CB GLN A 56 28.157 50.520 -22.659 1.00 24.31 C ATOM 807 CG GLN A 56 27.915 51.827 -21.925 1.00 3.12 C ATOM 808 CD GLN A 56 26.461 52.002 -21.521 1.00 23.51 C ATOM 809 OE1 GLN A 56 25.657 52.563 -22.265 1.00 22.43 O ATOM 810 NE2 GLN A 56 26.111 51.518 -20.341 1.00 51.20 N ATOM 0 H GLN A 56 27.861 48.386 -23.875 1.00 32.54 H new ATOM 0 HA GLN A 56 26.465 50.864 -23.934 1.00 40.22 H new ATOM 0 HB2 GLN A 56 27.810 49.695 -22.037 1.00 24.31 H new ATOM 0 HB3 GLN A 56 29.230 50.385 -22.798 1.00 24.31 H new ATOM 0 HG2 GLN A 56 28.544 51.863 -21.035 1.00 3.12 H new ATOM 0 HG3 GLN A 56 28.215 52.659 -22.561 1.00 3.12 H new ATOM 0 HE21 GLN A 56 26.806 51.059 -19.752 1.00 51.20 H new ATOM 0 HE22 GLN A 56 25.146 51.604 -20.020 1.00 51.20 H new ATOM 819 N ALA A 57 29.180 50.589 -25.730 1.00 43.12 N ATOM 820 CA ALA A 57 30.027 51.252 -26.714 1.00 74.22 C ATOM 821 C ALA A 57 29.268 51.521 -28.014 1.00 13.44 C ATOM 822 O ALA A 57 29.722 52.279 -28.866 1.00 44.41 O ATOM 823 CB ALA A 57 31.266 50.416 -26.978 1.00 32.32 C ATOM 0 H ALA A 57 29.365 49.592 -25.619 1.00 43.12 H new ATOM 0 HA ALA A 57 30.331 52.217 -26.308 1.00 74.22 H new ATOM 0 HB1 ALA A 57 31.894 50.918 -27.714 1.00 32.32 H new ATOM 0 HB2 ALA A 57 31.824 50.290 -26.050 1.00 32.32 H new ATOM 0 HB3 ALA A 57 30.971 49.438 -27.359 1.00 32.32 H new ATOM 829 N ILE A 58 28.103 50.903 -28.156 1.00 52.41 N ATOM 830 CA ILE A 58 27.283 51.089 -29.345 1.00 43.42 C ATOM 831 C ILE A 58 26.363 52.295 -29.164 1.00 42.32 C ATOM 832 O ILE A 58 25.956 52.942 -30.130 1.00 2.22 O ATOM 833 CB ILE A 58 26.439 49.830 -29.653 1.00 4.31 C ATOM 834 CG1 ILE A 58 27.341 48.590 -29.756 1.00 33.32 C ATOM 835 CG2 ILE A 58 25.638 50.018 -30.939 1.00 22.11 C ATOM 836 CD1 ILE A 58 28.405 48.692 -30.832 1.00 75.03 C ATOM 0 H ILE A 58 27.705 50.269 -27.463 1.00 52.41 H new ATOM 0 HA ILE A 58 27.952 51.263 -30.187 1.00 43.42 H new ATOM 0 HB ILE A 58 25.737 49.680 -28.833 1.00 4.31 H new ATOM 0 HG12 ILE A 58 27.826 48.425 -28.794 1.00 33.32 H new ATOM 0 HG13 ILE A 58 26.720 47.716 -29.954 1.00 33.32 H new ATOM 0 HG21 ILE A 58 25.052 49.121 -31.137 1.00 22.11 H new ATOM 0 HG22 ILE A 58 24.969 50.872 -30.830 1.00 22.11 H new ATOM 0 HG23 ILE A 58 26.321 50.196 -31.770 1.00 22.11 H new ATOM 0 HD11 ILE A 58 29.001 47.779 -30.843 1.00 75.03 H new ATOM 0 HD12 ILE A 58 27.929 48.826 -31.803 1.00 75.03 H new ATOM 0 HD13 ILE A 58 29.052 49.545 -30.625 1.00 75.03 H new ATOM 848 N GLN A 59 26.080 52.620 -27.908 1.00 20.32 N ATOM 849 CA GLN A 59 25.127 53.674 -27.574 1.00 43.14 C ATOM 850 C GLN A 59 25.605 55.052 -28.038 1.00 30.01 C ATOM 851 O GLN A 59 24.798 55.962 -28.228 1.00 22.32 O ATOM 852 CB GLN A 59 24.888 53.707 -26.064 1.00 0.24 C ATOM 853 CG GLN A 59 24.340 52.406 -25.493 1.00 33.03 C ATOM 854 CD GLN A 59 22.900 52.130 -25.893 1.00 32.54 C ATOM 855 OE1 GLN A 59 22.449 52.513 -26.971 1.00 24.13 O ATOM 856 NE2 GLN A 59 22.168 51.472 -25.012 1.00 51.23 N ATOM 0 H GLN A 59 26.500 52.165 -27.098 1.00 20.32 H new ATOM 0 HA GLN A 59 24.199 53.445 -28.097 1.00 43.14 H new ATOM 0 HB2 GLN A 59 25.827 53.944 -25.563 1.00 0.24 H new ATOM 0 HB3 GLN A 59 24.192 54.514 -25.835 1.00 0.24 H new ATOM 0 HG2 GLN A 59 24.967 51.579 -25.827 1.00 33.03 H new ATOM 0 HG3 GLN A 59 24.407 52.438 -24.406 1.00 33.03 H new ATOM 0 HE21 GLN A 59 22.581 51.172 -24.129 1.00 51.23 H new ATOM 0 HE22 GLN A 59 21.190 51.264 -25.215 1.00 51.23 H new ATOM 865 N SER A 60 26.909 55.201 -28.225 1.00 51.04 N ATOM 866 CA SER A 60 27.490 56.493 -28.562 1.00 11.41 C ATOM 867 C SER A 60 27.201 56.892 -30.010 1.00 54.31 C ATOM 868 O SER A 60 26.873 58.048 -30.291 1.00 71.15 O ATOM 869 CB SER A 60 28.995 56.458 -28.311 1.00 73.34 C ATOM 870 OG SER A 60 29.579 55.315 -28.913 1.00 3.51 O ATOM 0 H SER A 60 27.586 54.442 -28.149 1.00 51.04 H new ATOM 0 HA SER A 60 27.028 57.246 -27.923 1.00 11.41 H new ATOM 0 HB2 SER A 60 29.456 57.361 -28.711 1.00 73.34 H new ATOM 0 HB3 SER A 60 29.189 56.449 -27.239 1.00 73.34 H new ATOM 0 HG SER A 60 30.544 55.312 -28.742 1.00 3.51 H new ATOM 876 N GLN A 61 27.301 55.936 -30.928 1.00 30.10 N ATOM 877 CA GLN A 61 27.126 56.230 -32.347 1.00 24.42 C ATOM 878 C GLN A 61 25.658 56.483 -32.678 1.00 14.32 C ATOM 879 O GLN A 61 25.337 57.080 -33.707 1.00 1.12 O ATOM 880 CB GLN A 61 27.676 55.097 -33.223 1.00 64.21 C ATOM 881 CG GLN A 61 26.903 53.792 -33.105 1.00 32.32 C ATOM 882 CD GLN A 61 27.354 52.763 -34.123 1.00 64.01 C ATOM 883 OE1 GLN A 61 26.837 52.704 -35.237 1.00 52.54 O ATOM 884 NE2 GLN A 61 28.319 51.942 -33.743 1.00 61.52 N ATOM 0 H GLN A 61 27.501 54.958 -30.718 1.00 30.10 H new ATOM 0 HA GLN A 61 27.692 57.136 -32.563 1.00 24.42 H new ATOM 0 HB2 GLN A 61 27.667 55.420 -34.264 1.00 64.21 H new ATOM 0 HB3 GLN A 61 28.717 54.916 -32.954 1.00 64.21 H new ATOM 0 HG2 GLN A 61 27.030 53.387 -32.101 1.00 32.32 H new ATOM 0 HG3 GLN A 61 25.839 53.989 -33.237 1.00 32.32 H new ATOM 0 HE21 GLN A 61 28.721 52.025 -32.809 1.00 61.52 H new ATOM 0 HE22 GLN A 61 28.661 51.226 -34.384 1.00 61.52 H new ATOM 893 N ILE A 62 24.774 56.048 -31.789 1.00 25.21 N ATOM 894 CA ILE A 62 23.345 56.201 -32.000 1.00 60.23 C ATOM 895 C ILE A 62 22.950 57.676 -31.942 1.00 4.22 C ATOM 896 O ILE A 62 22.004 58.098 -32.603 1.00 73.53 O ATOM 897 CB ILE A 62 22.535 55.384 -30.969 1.00 31.41 C ATOM 898 CG1 ILE A 62 22.900 53.900 -31.074 1.00 75.12 C ATOM 899 CG2 ILE A 62 21.038 55.578 -31.174 1.00 11.33 C ATOM 900 CD1 ILE A 62 22.136 53.007 -30.117 1.00 54.33 C ATOM 0 H ILE A 62 25.025 55.586 -30.915 1.00 25.21 H new ATOM 0 HA ILE A 62 23.111 55.815 -32.992 1.00 60.23 H new ATOM 0 HB ILE A 62 22.787 55.742 -29.971 1.00 31.41 H new ATOM 0 HG12 ILE A 62 22.716 53.563 -32.094 1.00 75.12 H new ATOM 0 HG13 ILE A 62 23.968 53.785 -30.888 1.00 75.12 H new ATOM 0 HG21 ILE A 62 20.491 54.992 -30.436 1.00 11.33 H new ATOM 0 HG22 ILE A 62 20.789 56.633 -31.058 1.00 11.33 H new ATOM 0 HG23 ILE A 62 20.762 55.248 -32.176 1.00 11.33 H new ATOM 0 HD11 ILE A 62 22.452 51.973 -30.254 1.00 54.33 H new ATOM 0 HD12 ILE A 62 22.338 53.316 -29.091 1.00 54.33 H new ATOM 0 HD13 ILE A 62 21.068 53.090 -30.317 1.00 54.33 H new ATOM 912 N LEU A 63 23.710 58.461 -31.185 1.00 64.35 N ATOM 913 CA LEU A 63 23.458 59.896 -31.072 1.00 53.53 C ATOM 914 C LEU A 63 23.515 60.572 -32.439 1.00 34.31 C ATOM 915 O LEU A 63 22.703 61.446 -32.744 1.00 74.53 O ATOM 916 CB LEU A 63 24.470 60.555 -30.130 1.00 24.15 C ATOM 917 CG LEU A 63 24.134 60.494 -28.635 1.00 14.34 C ATOM 918 CD1 LEU A 63 24.093 59.058 -28.141 1.00 52.54 C ATOM 919 CD2 LEU A 63 25.142 61.304 -27.837 1.00 61.01 C ATOM 0 H LEU A 63 24.506 58.129 -30.640 1.00 64.35 H new ATOM 0 HA LEU A 63 22.457 60.021 -30.660 1.00 53.53 H new ATOM 0 HB2 LEU A 63 25.441 60.083 -30.284 1.00 24.15 H new ATOM 0 HB3 LEU A 63 24.575 61.601 -30.416 1.00 24.15 H new ATOM 0 HG LEU A 63 23.143 60.925 -28.491 1.00 14.34 H new ATOM 0 HD11 LEU A 63 23.853 59.046 -27.078 1.00 52.54 H new ATOM 0 HD12 LEU A 63 23.332 58.505 -28.692 1.00 52.54 H new ATOM 0 HD13 LEU A 63 25.065 58.591 -28.298 1.00 52.54 H new ATOM 0 HD21 LEU A 63 24.893 61.253 -26.777 1.00 61.01 H new ATOM 0 HD22 LEU A 63 26.141 60.898 -27.995 1.00 61.01 H new ATOM 0 HD23 LEU A 63 25.116 62.343 -28.166 1.00 61.01 H new ATOM 931 N GLY A 64 24.471 60.156 -33.263 1.00 54.14 N ATOM 932 CA GLY A 64 24.588 60.712 -34.599 1.00 43.53 C ATOM 933 C GLY A 64 23.540 60.157 -35.539 1.00 42.50 C ATOM 934 O GLY A 64 23.079 60.845 -36.451 1.00 45.41 O ATOM 0 H GLY A 64 25.165 59.446 -33.031 1.00 54.14 H new ATOM 0 HA2 GLY A 64 24.492 61.797 -34.550 1.00 43.53 H new ATOM 0 HA3 GLY A 64 25.580 60.497 -34.995 1.00 43.53 H new ATOM 938 N GLY A 65 23.149 58.910 -35.305 1.00 25.24 N ATOM 939 CA GLY A 65 22.155 58.268 -36.143 1.00 5.50 C ATOM 940 C GLY A 65 20.754 58.793 -35.893 1.00 33.53 C ATOM 941 O GLY A 65 19.901 58.740 -36.781 1.00 11.34 O ATOM 0 H GLY A 65 23.505 58.330 -34.546 1.00 25.24 H new ATOM 0 HA2 GLY A 65 22.415 58.421 -37.190 1.00 5.50 H new ATOM 0 HA3 GLY A 65 22.174 57.193 -35.964 1.00 5.50 H new ATOM 945 N LEU A 66 20.522 59.314 -34.688 1.00 53.33 N ATOM 946 CA LEU A 66 19.212 59.839 -34.303 1.00 72.23 C ATOM 947 C LEU A 66 18.728 60.905 -35.280 1.00 34.12 C ATOM 948 O LEU A 66 17.541 60.971 -35.593 1.00 33.03 O ATOM 949 CB LEU A 66 19.251 60.419 -32.885 1.00 31.31 C ATOM 950 CG LEU A 66 19.393 59.390 -31.761 1.00 64.21 C ATOM 951 CD1 LEU A 66 19.466 60.087 -30.411 1.00 22.03 C ATOM 952 CD2 LEU A 66 18.231 58.405 -31.791 1.00 65.03 C ATOM 0 H LEU A 66 21.230 59.384 -33.957 1.00 53.33 H new ATOM 0 HA LEU A 66 18.511 59.005 -34.328 1.00 72.23 H new ATOM 0 HB2 LEU A 66 20.083 61.121 -32.820 1.00 31.31 H new ATOM 0 HB3 LEU A 66 18.338 60.991 -32.719 1.00 31.31 H new ATOM 0 HG LEU A 66 20.319 58.835 -31.914 1.00 64.21 H new ATOM 0 HD11 LEU A 66 19.567 59.342 -29.622 1.00 22.03 H new ATOM 0 HD12 LEU A 66 20.328 60.754 -30.392 1.00 22.03 H new ATOM 0 HD13 LEU A 66 18.556 60.665 -30.250 1.00 22.03 H new ATOM 0 HD21 LEU A 66 18.348 57.680 -30.985 1.00 65.03 H new ATOM 0 HD22 LEU A 66 17.293 58.945 -31.661 1.00 65.03 H new ATOM 0 HD23 LEU A 66 18.220 57.884 -32.749 1.00 65.03 H new ATOM 964 N LEU A 67 19.657 61.705 -35.791 1.00 53.21 N ATOM 965 CA LEU A 67 19.319 62.785 -36.718 1.00 64.45 C ATOM 966 C LEU A 67 18.566 62.257 -37.940 1.00 60.43 C ATOM 967 O LEU A 67 17.724 62.951 -38.512 1.00 44.24 O ATOM 968 CB LEU A 67 20.580 63.531 -37.175 1.00 51.43 C ATOM 969 CG LEU A 67 21.200 64.496 -36.155 1.00 3.00 C ATOM 970 CD1 LEU A 67 21.801 63.748 -34.973 1.00 70.32 C ATOM 971 CD2 LEU A 67 22.256 65.361 -36.824 1.00 22.21 C ATOM 0 H LEU A 67 20.652 61.628 -35.580 1.00 53.21 H new ATOM 0 HA LEU A 67 18.670 63.477 -36.182 1.00 64.45 H new ATOM 0 HB2 LEU A 67 21.334 62.794 -37.452 1.00 51.43 H new ATOM 0 HB3 LEU A 67 20.338 64.094 -38.077 1.00 51.43 H new ATOM 0 HG LEU A 67 20.404 65.136 -35.774 1.00 3.00 H new ATOM 0 HD11 LEU A 67 22.231 64.462 -34.271 1.00 70.32 H new ATOM 0 HD12 LEU A 67 21.022 63.172 -34.473 1.00 70.32 H new ATOM 0 HD13 LEU A 67 22.581 63.074 -35.327 1.00 70.32 H new ATOM 0 HD21 LEU A 67 22.688 66.041 -36.090 1.00 22.21 H new ATOM 0 HD22 LEU A 67 23.040 64.725 -37.235 1.00 22.21 H new ATOM 0 HD23 LEU A 67 21.798 65.938 -37.628 1.00 22.21 H new ATOM 983 N SER A 68 18.864 61.024 -38.326 1.00 40.32 N ATOM 984 CA SER A 68 18.240 60.420 -39.492 1.00 11.31 C ATOM 985 C SER A 68 17.188 59.389 -39.080 1.00 75.02 C ATOM 986 O SER A 68 16.342 58.995 -39.883 1.00 75.11 O ATOM 987 CB SER A 68 19.308 59.770 -40.378 1.00 0.14 C ATOM 988 OG SER A 68 18.758 59.288 -41.591 1.00 4.11 O ATOM 0 H SER A 68 19.535 60.423 -37.847 1.00 40.32 H new ATOM 0 HA SER A 68 17.737 61.204 -40.058 1.00 11.31 H new ATOM 0 HB2 SER A 68 20.091 60.496 -40.596 1.00 0.14 H new ATOM 0 HB3 SER A 68 19.777 58.947 -39.839 1.00 0.14 H new ATOM 0 HG SER A 68 17.801 59.113 -41.470 1.00 4.11 H new ATOM 994 N ASN A 69 17.225 58.962 -37.823 1.00 22.22 N ATOM 995 CA ASN A 69 16.308 57.931 -37.349 1.00 3.21 C ATOM 996 C ASN A 69 15.022 58.550 -36.812 1.00 33.23 C ATOM 997 O ASN A 69 13.962 57.928 -36.845 1.00 41.32 O ATOM 998 CB ASN A 69 16.982 57.079 -36.268 1.00 53.44 C ATOM 999 CG ASN A 69 16.153 55.874 -35.859 1.00 25.14 C ATOM 1000 OD1 ASN A 69 16.237 54.811 -36.477 1.00 41.35 O ATOM 1001 ND2 ASN A 69 15.371 56.023 -34.800 1.00 2.13 N ATOM 0 H ASN A 69 17.875 59.310 -37.118 1.00 22.22 H new ATOM 0 HA ASN A 69 16.049 57.290 -38.192 1.00 3.21 H new ATOM 0 HB2 ASN A 69 17.951 56.739 -36.633 1.00 53.44 H new ATOM 0 HB3 ASN A 69 17.171 57.698 -35.391 1.00 53.44 H new ATOM 0 HD21 ASN A 69 14.809 55.240 -34.467 1.00 2.13 H new ATOM 0 HD22 ASN A 69 15.331 56.921 -34.318 1.00 2.13 H new ATOM 1008 N ILE A 70 15.109 59.789 -36.343 1.00 71.41 N ATOM 1009 CA ILE A 70 13.929 60.502 -35.859 1.00 54.25 C ATOM 1010 C ILE A 70 13.085 60.976 -37.042 1.00 15.54 C ATOM 1011 O ILE A 70 11.884 61.211 -36.919 1.00 23.53 O ATOM 1012 CB ILE A 70 14.317 61.702 -34.955 1.00 3.10 C ATOM 1013 CG1 ILE A 70 15.113 61.223 -33.737 1.00 23.53 C ATOM 1014 CG2 ILE A 70 13.085 62.472 -34.499 1.00 12.32 C ATOM 1015 CD1 ILE A 70 14.382 60.203 -32.884 1.00 42.43 C ATOM 0 H ILE A 70 15.978 60.320 -36.287 1.00 71.41 H new ATOM 0 HA ILE A 70 13.343 59.811 -35.253 1.00 54.25 H new ATOM 0 HB ILE A 70 14.940 62.373 -35.547 1.00 3.10 H new ATOM 0 HG12 ILE A 70 16.053 60.789 -34.078 1.00 23.53 H new ATOM 0 HG13 ILE A 70 15.365 62.085 -33.119 1.00 23.53 H new ATOM 0 HG21 ILE A 70 13.390 63.306 -33.867 1.00 12.32 H new ATOM 0 HG22 ILE A 70 12.551 62.852 -35.370 1.00 12.32 H new ATOM 0 HG23 ILE A 70 12.431 61.809 -33.933 1.00 12.32 H new ATOM 0 HD11 ILE A 70 15.012 59.914 -32.042 1.00 42.43 H new ATOM 0 HD12 ILE A 70 13.455 60.638 -32.511 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.154 59.323 -33.485 1.00 42.43 H new ATOM 1027 N ASN A 71 13.720 61.076 -38.204 1.00 10.14 N ATOM 1028 CA ASN A 71 13.026 61.446 -39.434 1.00 44.34 C ATOM 1029 C ASN A 71 12.078 60.329 -39.856 1.00 55.34 C ATOM 1030 O ASN A 71 11.129 60.559 -40.608 1.00 20.43 O ATOM 1031 CB ASN A 71 14.043 61.722 -40.551 1.00 33.10 C ATOM 1032 CG ASN A 71 13.398 62.186 -41.848 1.00 24.15 C ATOM 1033 OD1 ASN A 71 13.180 63.382 -42.057 1.00 2.11 O ATOM 1034 ND2 ASN A 71 13.102 61.247 -42.734 1.00 61.43 N ATOM 0 H ASN A 71 14.719 60.905 -38.321 1.00 10.14 H new ATOM 0 HA ASN A 71 12.447 62.351 -39.252 1.00 44.34 H new ATOM 0 HB2 ASN A 71 14.748 62.481 -40.212 1.00 33.10 H new ATOM 0 HB3 ASN A 71 14.617 60.816 -40.742 1.00 33.10 H new ATOM 0 HD21 ASN A 71 12.678 61.503 -43.626 1.00 61.43 H new ATOM 0 HD22 ASN A 71 13.298 60.268 -42.524 1.00 61.43 H new ATOM 1041 N THR A 72 12.347 59.127 -39.337 1.00 12.11 N ATOM 1042 CA THR A 72 11.589 57.915 -39.657 1.00 23.30 C ATOM 1043 C THR A 72 11.527 57.668 -41.165 1.00 44.31 C ATOM 1044 O THR A 72 12.258 58.292 -41.940 1.00 44.23 O ATOM 1045 CB THR A 72 10.157 57.929 -39.051 1.00 2.13 C ATOM 1046 OG1 THR A 72 9.405 59.061 -39.501 1.00 14.23 O ATOM 1047 CG2 THR A 72 10.219 57.935 -37.533 1.00 53.31 C ATOM 0 H THR A 72 13.106 58.967 -38.675 1.00 12.11 H new ATOM 0 HA THR A 72 12.132 57.090 -39.195 1.00 23.30 H new ATOM 0 HB THR A 72 9.654 57.024 -39.391 1.00 2.13 H new ATOM 0 HG1 THR A 72 9.877 59.493 -40.244 1.00 14.23 H new ATOM 0 HG21 THR A 72 9.207 57.945 -37.128 1.00 53.31 H new ATOM 0 HG22 THR A 72 10.740 57.042 -37.187 1.00 53.31 H new ATOM 0 HG23 THR A 72 10.754 58.822 -37.194 1.00 53.31 H new ATOM 1055 N GLY A 73 10.692 56.724 -41.570 1.00 3.13 N ATOM 1056 CA GLY A 73 10.513 56.447 -42.981 1.00 42.41 C ATOM 1057 C GLY A 73 11.492 55.416 -43.506 1.00 24.53 C ATOM 1058 O GLY A 73 11.086 54.448 -44.152 1.00 71.02 O ATOM 0 H GLY A 73 10.133 56.143 -40.945 1.00 3.13 H new ATOM 0 HA2 GLY A 73 9.496 56.095 -43.151 1.00 42.41 H new ATOM 0 HA3 GLY A 73 10.629 57.372 -43.546 1.00 42.41 H new ATOM 1062 N LYS A 74 12.773 55.621 -43.219 1.00 31.51 N ATOM 1063 CA LYS A 74 13.836 54.759 -43.732 1.00 51.44 C ATOM 1064 C LYS A 74 13.597 53.286 -43.355 1.00 44.43 C ATOM 1065 O LYS A 74 12.951 52.995 -42.341 1.00 24.01 O ATOM 1066 CB LYS A 74 15.209 55.242 -43.226 1.00 23.21 C ATOM 1067 CG LYS A 74 15.438 55.079 -41.730 1.00 4.23 C ATOM 1068 CD LYS A 74 16.248 53.823 -41.457 1.00 20.20 C ATOM 1069 CE LYS A 74 16.318 53.482 -39.980 1.00 35.24 C ATOM 1070 NZ LYS A 74 16.885 52.122 -39.761 1.00 22.45 N1+ ATOM 0 H LYS A 74 13.104 56.384 -42.628 1.00 31.51 H new ATOM 0 HA LYS A 74 13.826 54.822 -44.820 1.00 51.44 H new ATOM 0 HB2 LYS A 74 15.988 54.697 -43.759 1.00 23.21 H new ATOM 0 HB3 LYS A 74 15.324 56.295 -43.483 1.00 23.21 H new ATOM 0 HG2 LYS A 74 15.962 55.951 -41.338 1.00 4.23 H new ATOM 0 HG3 LYS A 74 14.481 55.023 -41.212 1.00 4.23 H new ATOM 0 HD2 LYS A 74 15.807 52.986 -41.999 1.00 20.20 H new ATOM 0 HD3 LYS A 74 17.258 53.956 -41.844 1.00 20.20 H new ATOM 0 HE2 LYS A 74 16.931 54.221 -39.463 1.00 35.24 H new ATOM 0 HE3 LYS A 74 15.320 53.536 -39.545 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 16.689 51.817 -38.786 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 16.449 51.453 -40.427 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 17.913 52.145 -39.916 1.00 22.45 H new ATOM 1084 N PRO A 75 14.105 52.344 -44.177 1.00 62.34 N ATOM 1085 CA PRO A 75 13.917 50.897 -43.966 1.00 2.31 C ATOM 1086 C PRO A 75 14.511 50.394 -42.646 1.00 25.45 C ATOM 1087 O PRO A 75 15.115 51.152 -41.886 1.00 34.43 O ATOM 1088 CB PRO A 75 14.648 50.253 -45.154 1.00 60.25 C ATOM 1089 CG PRO A 75 14.760 51.335 -46.169 1.00 23.21 C ATOM 1090 CD PRO A 75 14.897 52.611 -45.390 1.00 65.03 C ATOM 0 HA PRO A 75 12.858 50.647 -43.907 1.00 2.31 H new ATOM 0 HB2 PRO A 75 15.631 49.884 -44.860 1.00 60.25 H new ATOM 0 HB3 PRO A 75 14.092 49.401 -45.545 1.00 60.25 H new ATOM 0 HG2 PRO A 75 15.623 51.177 -46.816 1.00 23.21 H new ATOM 0 HG3 PRO A 75 13.880 51.361 -46.812 1.00 23.21 H new ATOM 0 HD2 PRO A 75 15.938 52.829 -45.152 1.00 65.03 H new ATOM 0 HD3 PRO A 75 14.511 53.466 -45.945 1.00 65.03 H new ATOM 1098 N GLY A 76 14.331 49.113 -42.377 1.00 12.10 N ATOM 1099 CA GLY A 76 14.820 48.542 -41.142 1.00 14.01 C ATOM 1100 C GLY A 76 16.202 47.941 -41.289 1.00 13.34 C ATOM 1101 O GLY A 76 16.991 48.371 -42.126 1.00 72.12 O ATOM 0 H GLY A 76 13.853 48.456 -42.994 1.00 12.10 H new ATOM 0 HA2 GLY A 76 14.843 49.314 -40.373 1.00 14.01 H new ATOM 0 HA3 GLY A 76 14.127 47.773 -40.802 1.00 14.01 H new ATOM 1105 N ARG A 77 16.495 46.943 -40.476 1.00 2.44 N ATOM 1106 CA ARG A 77 17.786 46.278 -40.523 1.00 13.33 C ATOM 1107 C ARG A 77 17.624 44.837 -40.972 1.00 22.11 C ATOM 1108 O ARG A 77 16.521 44.288 -40.942 1.00 0.25 O ATOM 1109 CB ARG A 77 18.474 46.357 -39.158 1.00 21.41 C ATOM 1110 CG ARG A 77 17.615 45.886 -37.998 1.00 30.43 C ATOM 1111 CD ARG A 77 18.100 46.489 -36.689 1.00 20.32 C ATOM 1112 NE ARG A 77 18.192 47.946 -36.787 1.00 45.02 N ATOM 1113 CZ ARG A 77 17.967 48.794 -35.786 1.00 1.11 C ATOM 1114 NH1 ARG A 77 17.696 48.350 -34.565 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 18.044 50.098 -36.020 1.00 14.15 N ATOM 0 H ARG A 77 15.855 46.574 -39.773 1.00 2.44 H new ATOM 0 HA ARG A 77 18.418 46.787 -41.251 1.00 13.33 H new ATOM 0 HB2 ARG A 77 19.384 45.758 -39.188 1.00 21.41 H new ATOM 0 HB3 ARG A 77 18.777 47.388 -38.976 1.00 21.41 H new ATOM 0 HG2 ARG A 77 16.576 46.167 -38.171 1.00 30.43 H new ATOM 0 HG3 ARG A 77 17.644 44.798 -37.936 1.00 30.43 H new ATOM 0 HD2 ARG A 77 17.417 46.217 -35.884 1.00 20.32 H new ATOM 0 HD3 ARG A 77 19.075 46.076 -36.433 1.00 20.32 H new ATOM 0 HE ARG A 77 18.448 48.342 -37.691 1.00 45.02 H new ATOM 0 HH11 ARG A 77 17.658 47.347 -34.384 1.00 21.40 H new ATOM 0 HH12 ARG A 77 17.526 49.012 -33.808 1.00 21.40 H new ATOM 0 HH21 ARG A 77 18.272 50.436 -36.955 1.00 14.15 H new ATOM 0 HH22 ARG A 77 17.875 50.763 -35.265 1.00 14.15 H new ATOM 1129 N MET A 78 18.712 44.229 -41.407 1.00 12.00 N ATOM 1130 CA MET A 78 18.657 42.876 -41.926 1.00 2.03 C ATOM 1131 C MET A 78 19.256 41.900 -40.930 1.00 70.13 C ATOM 1132 O MET A 78 20.314 42.155 -40.355 1.00 44.34 O ATOM 1133 CB MET A 78 19.391 42.779 -43.267 1.00 63.14 C ATOM 1134 CG MET A 78 19.302 41.399 -43.904 1.00 52.15 C ATOM 1135 SD MET A 78 20.162 41.290 -45.490 1.00 73.31 S ATOM 1136 CE MET A 78 21.844 41.647 -44.985 1.00 35.54 C ATOM 0 H MET A 78 19.641 44.649 -41.411 1.00 12.00 H new ATOM 0 HA MET A 78 17.611 42.616 -42.085 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.976 43.516 -43.954 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.440 43.036 -43.119 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.722 40.662 -43.219 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.253 41.139 -44.048 1.00 52.15 H new ATOM 0 HE1 MET A 78 22.532 40.997 -45.526 1.00 35.54 H new ATOM 0 HE2 MET A 78 22.077 42.688 -45.207 1.00 35.54 H new ATOM 0 HE3 MET A 78 21.947 41.473 -43.914 1.00 35.54 H new ATOM 1146 N VAL A 79 18.564 40.794 -40.719 1.00 63.22 N ATOM 1147 CA VAL A 79 19.051 39.746 -39.841 1.00 53.31 C ATOM 1148 C VAL A 79 20.281 39.083 -40.455 1.00 34.33 C ATOM 1149 O VAL A 79 20.265 38.682 -41.620 1.00 23.05 O ATOM 1150 CB VAL A 79 17.965 38.681 -39.573 1.00 51.15 C ATOM 1151 CG1 VAL A 79 18.432 37.686 -38.524 1.00 62.34 C ATOM 1152 CG2 VAL A 79 16.662 39.340 -39.148 1.00 20.14 C ATOM 0 H VAL A 79 17.659 40.599 -41.146 1.00 63.22 H new ATOM 0 HA VAL A 79 19.317 40.205 -38.889 1.00 53.31 H new ATOM 0 HB VAL A 79 17.786 38.136 -40.500 1.00 51.15 H new ATOM 0 HG11 VAL A 79 17.651 36.946 -38.352 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.335 37.186 -38.873 1.00 62.34 H new ATOM 0 HG13 VAL A 79 18.645 38.212 -37.593 1.00 62.34 H new ATOM 0 HG21 VAL A 79 15.910 38.573 -38.964 1.00 20.14 H new ATOM 0 HG22 VAL A 79 16.825 39.914 -38.236 1.00 20.14 H new ATOM 0 HG23 VAL A 79 16.316 40.005 -39.939 1.00 20.14 H new ATOM 1162 N THR A 80 21.353 39.022 -39.687 1.00 24.24 N ATOM 1163 CA THR A 80 22.583 38.395 -40.133 1.00 43.31 C ATOM 1164 C THR A 80 23.308 37.793 -38.936 1.00 22.22 C ATOM 1165 O THR A 80 23.329 38.391 -37.861 1.00 20.53 O ATOM 1166 CB THR A 80 23.502 39.407 -40.851 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.776 40.061 -41.898 1.00 23.43 O ATOM 1168 CG2 THR A 80 24.723 38.721 -41.442 1.00 23.11 C ATOM 0 H THR A 80 21.396 39.403 -38.742 1.00 24.24 H new ATOM 0 HA THR A 80 22.330 37.610 -40.845 1.00 43.31 H new ATOM 0 HB THR A 80 23.838 40.138 -40.115 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.362 40.703 -42.350 1.00 23.43 H new ATOM 0 HG21 THR A 80 25.350 39.460 -41.941 1.00 23.11 H new ATOM 0 HG22 THR A 80 25.292 38.241 -40.646 1.00 23.11 H new ATOM 0 HG23 THR A 80 24.404 37.969 -42.164 1.00 23.11 H new ATOM 1176 N ASN A 81 23.884 36.611 -39.128 1.00 12.13 N ATOM 1177 CA ASN A 81 24.509 35.862 -38.037 1.00 13.33 C ATOM 1178 C ASN A 81 25.571 36.687 -37.307 1.00 53.52 C ATOM 1179 O ASN A 81 25.436 36.970 -36.120 1.00 72.31 O ATOM 1180 CB ASN A 81 25.153 34.568 -38.553 1.00 31.34 C ATOM 1181 CG ASN A 81 24.181 33.649 -39.275 1.00 23.22 C ATOM 1182 OD1 ASN A 81 22.974 33.680 -39.042 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.711 32.804 -40.148 1.00 51.02 N ATOM 0 H ASN A 81 23.932 36.146 -40.035 1.00 12.13 H new ATOM 0 HA ASN A 81 23.711 35.621 -37.335 1.00 13.33 H new ATOM 0 HB2 ASN A 81 25.969 34.823 -39.229 1.00 31.34 H new ATOM 0 HB3 ASN A 81 25.592 34.030 -37.712 1.00 31.34 H new ATOM 0 HD21 ASN A 81 24.113 32.150 -40.653 1.00 51.02 H new ATOM 0 HD22 ASN A 81 25.717 32.808 -40.315 1.00 51.02 H new ATOM 1190 N ASP A 82 26.623 37.072 -38.021 1.00 32.11 N ATOM 1191 CA ASP A 82 27.777 37.710 -37.387 1.00 24.13 C ATOM 1192 C ASP A 82 27.955 39.153 -37.845 1.00 61.51 C ATOM 1193 O ASP A 82 29.002 39.757 -37.610 1.00 75.51 O ATOM 1194 CB ASP A 82 29.055 36.927 -37.697 1.00 23.52 C ATOM 1195 CG ASP A 82 29.067 35.544 -37.085 1.00 72.21 C ATOM 1196 OD1 ASP A 82 29.396 35.422 -35.887 1.00 63.25 O ATOM 1197 OD2 ASP A 82 28.772 34.566 -37.806 1.00 30.43 O1- ATOM 0 H ASP A 82 26.703 36.956 -39.031 1.00 32.11 H new ATOM 0 HA ASP A 82 27.590 37.711 -36.313 1.00 24.13 H new ATOM 0 HB2 ASP A 82 29.168 36.840 -38.778 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.915 37.487 -37.331 1.00 23.52 H new ATOM 1202 N TYR A 83 26.941 39.712 -38.483 1.00 2.10 N ATOM 1203 CA TYR A 83 27.048 41.065 -39.009 1.00 61.22 C ATOM 1204 C TYR A 83 25.854 41.908 -38.591 1.00 25.13 C ATOM 1205 O TYR A 83 24.704 41.519 -38.796 1.00 35.42 O ATOM 1206 CB TYR A 83 27.168 41.048 -40.537 1.00 22.35 C ATOM 1207 CG TYR A 83 28.499 40.539 -41.042 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.761 39.180 -41.126 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.493 41.424 -41.427 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.981 38.715 -41.577 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.714 40.971 -41.882 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.955 39.616 -41.953 1.00 0.23 C ATOM 1213 OH TYR A 83 32.174 39.161 -42.399 1.00 35.22 O ATOM 0 H TYR A 83 26.043 39.257 -38.649 1.00 2.10 H new ATOM 0 HA TYR A 83 27.951 41.511 -38.592 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.373 40.425 -40.947 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.009 42.058 -40.915 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.998 38.473 -40.834 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.309 42.487 -41.370 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.171 37.653 -41.635 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.477 41.675 -42.181 1.00 43.02 H new ATOM 0 HH TYR A 83 32.746 39.924 -42.624 1.00 35.22 H new ATOM 1223 N ILE A 84 26.140 43.054 -37.996 1.00 71.04 N ATOM 1224 CA ILE A 84 25.103 43.998 -37.603 1.00 33.43 C ATOM 1225 C ILE A 84 24.943 45.045 -38.698 1.00 24.33 C ATOM 1226 O ILE A 84 25.806 45.904 -38.869 1.00 13.30 O ATOM 1227 CB ILE A 84 25.426 44.712 -36.262 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.585 43.704 -35.116 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.340 45.725 -35.918 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.927 43.001 -35.088 1.00 21.15 C ATOM 0 H ILE A 84 27.088 43.356 -37.773 1.00 71.04 H new ATOM 0 HA ILE A 84 24.181 43.434 -37.461 1.00 33.43 H new ATOM 0 HB ILE A 84 26.373 45.236 -36.389 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.439 44.223 -34.168 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.797 42.955 -35.194 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.584 46.215 -34.975 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.276 46.472 -36.709 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.382 45.214 -35.823 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.957 42.307 -34.248 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.069 42.452 -36.019 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.722 43.739 -34.977 1.00 21.15 H new ATOM 1242 N VAL A 85 23.858 44.959 -39.447 1.00 45.21 N ATOM 1243 CA VAL A 85 23.659 45.835 -40.589 1.00 41.00 C ATOM 1244 C VAL A 85 22.251 46.430 -40.610 1.00 52.13 C ATOM 1245 O VAL A 85 21.248 45.710 -40.627 1.00 43.50 O ATOM 1246 CB VAL A 85 23.949 45.095 -41.919 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.139 43.808 -42.030 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.680 46.005 -43.105 1.00 64.33 C ATOM 0 H VAL A 85 23.102 44.293 -39.286 1.00 45.21 H new ATOM 0 HA VAL A 85 24.368 46.656 -40.487 1.00 41.00 H new ATOM 0 HB VAL A 85 25.004 44.821 -41.925 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.367 43.315 -42.975 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.395 43.145 -41.204 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.075 44.043 -41.991 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.889 45.468 -44.030 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.636 46.317 -43.095 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.322 46.884 -43.042 1.00 64.33 H new ATOM 1258 N ASP A 86 22.194 47.755 -40.598 1.00 31.13 N ATOM 1259 CA ASP A 86 20.935 48.485 -40.682 1.00 20.21 C ATOM 1260 C ASP A 86 20.857 49.183 -42.034 1.00 24.31 C ATOM 1261 O ASP A 86 21.839 49.779 -42.485 1.00 74.51 O ATOM 1262 CB ASP A 86 20.831 49.517 -39.547 1.00 4.42 C ATOM 1263 CG ASP A 86 19.486 50.227 -39.503 1.00 33.31 C ATOM 1264 OD1 ASP A 86 18.585 49.758 -38.773 1.00 21.44 O ATOM 1265 OD2 ASP A 86 19.325 51.265 -40.177 1.00 45.22 O1- ATOM 0 H ASP A 86 23.017 48.354 -40.530 1.00 31.13 H new ATOM 0 HA ASP A 86 20.106 47.785 -40.580 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.002 49.017 -38.594 1.00 4.42 H new ATOM 0 HB3 ASP A 86 21.622 50.258 -39.665 1.00 4.42 H new ATOM 1270 N ILE A 87 19.710 49.084 -42.694 1.00 70.13 N ATOM 1271 CA ILE A 87 19.524 49.737 -43.978 1.00 11.31 C ATOM 1272 C ILE A 87 19.128 51.188 -43.744 1.00 5.45 C ATOM 1273 O ILE A 87 17.948 51.548 -43.780 1.00 31.44 O ATOM 1274 CB ILE A 87 18.456 49.028 -44.847 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.758 47.527 -44.930 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.411 49.643 -46.244 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.705 46.730 -45.673 1.00 31.30 C ATOM 0 H ILE A 87 18.900 48.560 -42.362 1.00 70.13 H new ATOM 0 HA ILE A 87 20.466 49.684 -44.524 1.00 11.31 H new ATOM 0 HB ILE A 87 17.479 49.163 -44.382 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.720 47.386 -45.422 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.855 47.129 -43.920 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.655 49.133 -46.842 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.160 50.701 -46.168 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.385 49.534 -46.721 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.989 45.678 -45.689 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.744 46.838 -45.170 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.623 47.100 -46.695 1.00 31.30 H new ATOM 1289 N ALA A 88 20.123 52.009 -43.464 1.00 34.53 N ATOM 1290 CA ALA A 88 19.890 53.392 -43.112 1.00 21.21 C ATOM 1291 C ALA A 88 19.804 54.270 -44.349 1.00 23.43 C ATOM 1292 O ALA A 88 20.799 54.497 -45.037 1.00 54.14 O ATOM 1293 CB ALA A 88 20.988 53.889 -42.184 1.00 40.44 C ATOM 0 H ALA A 88 21.106 51.737 -43.475 1.00 34.53 H new ATOM 0 HA ALA A 88 18.933 53.452 -42.594 1.00 21.21 H new ATOM 0 HB1 ALA A 88 20.802 54.931 -41.926 1.00 40.44 H new ATOM 0 HB2 ALA A 88 20.997 53.286 -41.276 1.00 40.44 H new ATOM 0 HB3 ALA A 88 21.953 53.806 -42.685 1.00 40.44 H new ATOM 1299 N ASN A 89 18.606 54.749 -44.642 1.00 52.24 N ATOM 1300 CA ASN A 89 18.435 55.722 -45.705 1.00 21.13 C ATOM 1301 C ASN A 89 18.748 57.106 -45.163 1.00 22.12 C ATOM 1302 O ASN A 89 17.859 57.863 -44.777 1.00 62.21 O ATOM 1303 CB ASN A 89 17.020 55.676 -46.289 1.00 44.43 C ATOM 1304 CG ASN A 89 16.836 56.629 -47.460 1.00 51.24 C ATOM 1305 OD1 ASN A 89 17.128 56.159 -48.662 1.00 34.21 O flip ATOM 1306 ND2 ASN A 89 16.432 57.777 -47.288 1.00 52.10 N flip ATOM 0 H ASN A 89 17.746 54.482 -44.163 1.00 52.24 H new ATOM 0 HA ASN A 89 19.122 55.481 -46.516 1.00 21.13 H new ATOM 0 HB2 ASN A 89 16.799 54.660 -46.615 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.301 55.924 -45.508 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.216 58.106 -46.347 1.00 52.10 H new ATOM 0 HD22 ASN A 89 16.312 58.401 -48.086 1.00 52.10 H new ATOM 1313 N ARG A 90 20.029 57.405 -45.086 1.00 34.23 N ATOM 1314 CA ARG A 90 20.485 58.667 -44.542 1.00 61.53 C ATOM 1315 C ARG A 90 20.835 59.614 -45.672 1.00 14.51 C ATOM 1316 O ARG A 90 21.516 59.224 -46.624 1.00 31.12 O ATOM 1317 CB ARG A 90 21.699 58.454 -43.634 1.00 1.00 C ATOM 1318 CG ARG A 90 22.153 59.716 -42.918 1.00 75.44 C ATOM 1319 CD ARG A 90 23.341 59.436 -42.017 1.00 14.21 C ATOM 1320 NE ARG A 90 23.760 60.618 -41.257 1.00 45.22 N ATOM 1321 CZ ARG A 90 24.614 60.570 -40.232 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.134 59.407 -39.859 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.955 61.679 -39.584 1.00 21.12 N ATOM 0 H ARG A 90 20.778 56.785 -45.396 1.00 34.23 H new ATOM 0 HA ARG A 90 19.684 59.103 -43.945 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.458 57.692 -42.892 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.525 58.068 -44.231 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.420 60.477 -43.651 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.331 60.118 -42.326 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.086 58.634 -41.324 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.176 59.082 -42.622 1.00 14.21 H new ATOM 0 HE ARG A 90 23.379 61.525 -41.526 1.00 45.22 H new ATOM 0 HH11 ARG A 90 24.881 58.553 -40.355 1.00 34.45 H new ATOM 0 HH12 ARG A 90 25.787 59.368 -39.076 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.563 62.577 -39.869 1.00 21.12 H new ATOM 0 HH22 ARG A 90 25.608 61.632 -38.802 1.00 21.12 H new ATOM 1337 N ASP A 91 20.324 60.837 -45.577 1.00 14.33 N ATOM 1338 CA ASP A 91 20.609 61.890 -46.551 1.00 71.02 C ATOM 1339 C ASP A 91 19.931 61.595 -47.895 1.00 43.52 C ATOM 1340 O ASP A 91 20.123 62.313 -48.875 1.00 61.51 O ATOM 1341 CB ASP A 91 22.126 62.059 -46.722 1.00 34.34 C ATOM 1342 CG ASP A 91 22.501 63.368 -47.377 1.00 2.00 C ATOM 1343 OD1 ASP A 91 22.841 63.365 -48.575 1.00 21.24 O ATOM 1344 OD2 ASP A 91 22.471 64.409 -46.683 1.00 32.31 O1- ATOM 0 H ASP A 91 19.701 61.128 -44.824 1.00 14.33 H new ATOM 0 HA ASP A 91 20.199 62.828 -46.175 1.00 71.02 H new ATOM 0 HB2 ASP A 91 22.606 61.996 -45.745 1.00 34.34 H new ATOM 0 HB3 ASP A 91 22.513 61.235 -47.321 1.00 34.34 H new ATOM 1349 N GLY A 92 19.128 60.538 -47.923 1.00 75.32 N ATOM 1350 CA GLY A 92 18.390 60.191 -49.122 1.00 62.34 C ATOM 1351 C GLY A 92 18.870 58.898 -49.753 1.00 52.21 C ATOM 1352 O GLY A 92 18.117 58.223 -50.454 1.00 23.30 O ATOM 0 H GLY A 92 18.975 59.912 -47.132 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.331 60.100 -48.878 1.00 62.34 H new ATOM 0 HA3 GLY A 92 18.482 61.000 -49.847 1.00 62.34 H new ATOM 1356 N GLN A 93 20.121 58.539 -49.491 1.00 55.42 N ATOM 1357 CA GLN A 93 20.716 57.352 -50.094 1.00 43.03 C ATOM 1358 C GLN A 93 20.539 56.138 -49.194 1.00 53.23 C ATOM 1359 O GLN A 93 20.633 56.244 -47.972 1.00 62.41 O ATOM 1360 CB GLN A 93 22.211 57.572 -50.346 1.00 32.14 C ATOM 1361 CG GLN A 93 22.532 58.710 -51.302 1.00 62.32 C ATOM 1362 CD GLN A 93 22.578 58.286 -52.761 1.00 5.43 C ATOM 1363 OE1 GLN A 93 21.773 57.305 -53.145 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 23.335 58.853 -53.551 1.00 33.20 N flip ATOM 0 H GLN A 93 20.743 59.052 -48.866 1.00 55.42 H new ATOM 0 HA GLN A 93 20.207 57.172 -51.041 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.702 57.767 -49.392 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.639 56.651 -50.742 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.784 59.494 -51.184 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.494 59.143 -51.028 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.943 59.605 -53.225 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.354 58.571 -54.531 1.00 33.20 H new ATOM 1373 N LEU A 94 20.272 54.988 -49.801 1.00 22.14 N ATOM 1374 CA LEU A 94 20.286 53.731 -49.066 1.00 50.31 C ATOM 1375 C LEU A 94 21.722 53.367 -48.725 1.00 43.43 C ATOM 1376 O LEU A 94 22.495 52.970 -49.599 1.00 52.24 O ATOM 1377 CB LEU A 94 19.644 52.590 -49.872 1.00 41.23 C ATOM 1378 CG LEU A 94 18.112 52.577 -49.928 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.519 52.688 -48.532 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.587 53.683 -50.832 1.00 42.11 C ATOM 0 H LEU A 94 20.045 54.900 -50.792 1.00 22.14 H new ATOM 0 HA LEU A 94 19.701 53.865 -48.156 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.023 52.637 -50.893 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.979 51.642 -49.450 1.00 41.23 H new ATOM 0 HG LEU A 94 17.800 51.623 -50.353 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.431 52.677 -48.597 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.855 51.847 -47.926 1.00 1.43 H new ATOM 0 HD13 LEU A 94 17.845 53.620 -48.071 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.498 53.650 -50.853 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.913 54.650 -50.450 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.973 53.542 -51.841 1.00 42.11 H new ATOM 1392 N GLN A 95 22.086 53.534 -47.470 1.00 22.34 N ATOM 1393 CA GLN A 95 23.441 53.259 -47.039 1.00 52.10 C ATOM 1394 C GLN A 95 23.486 52.007 -46.178 1.00 55.53 C ATOM 1395 O GLN A 95 22.962 51.979 -45.063 1.00 20.22 O ATOM 1396 CB GLN A 95 24.006 54.470 -46.295 1.00 54.30 C ATOM 1397 CG GLN A 95 25.389 54.249 -45.706 1.00 4.25 C ATOM 1398 CD GLN A 95 26.070 55.546 -45.300 1.00 5.40 C ATOM 1399 OE1 GLN A 95 25.886 56.593 -46.094 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 26.797 55.592 -44.308 1.00 5.31 N flip ATOM 0 H GLN A 95 21.463 53.859 -46.731 1.00 22.34 H new ATOM 0 HA GLN A 95 24.063 53.076 -47.915 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.046 55.317 -46.980 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.321 54.741 -45.492 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.308 53.598 -44.835 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.011 53.730 -46.435 1.00 4.25 H new ATOM 0 HE21 GLN A 95 26.913 54.765 -43.722 1.00 5.31 H new ATOM 0 HE22 GLN A 95 27.283 56.457 -44.072 1.00 5.31 H new ATOM 1409 N LEU A 96 24.095 50.964 -46.717 1.00 75.11 N ATOM 1410 CA LEU A 96 24.210 49.701 -46.017 1.00 53.33 C ATOM 1411 C LEU A 96 25.379 49.770 -45.046 1.00 12.32 C ATOM 1412 O LEU A 96 26.541 49.655 -45.444 1.00 51.50 O ATOM 1413 CB LEU A 96 24.416 48.567 -47.023 1.00 11.23 C ATOM 1414 CG LEU A 96 24.146 47.160 -46.493 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.660 46.969 -46.234 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.656 46.116 -47.473 1.00 11.35 C ATOM 0 H LEU A 96 24.520 50.971 -47.644 1.00 75.11 H new ATOM 0 HA LEU A 96 23.295 49.505 -45.459 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.767 48.744 -47.881 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.443 48.609 -47.386 1.00 11.23 H new ATOM 0 HG LEU A 96 24.680 47.035 -45.551 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.483 45.962 -45.857 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.323 47.697 -45.497 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.108 47.111 -47.163 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.456 45.119 -47.080 1.00 11.35 H new ATOM 0 HD22 LEU A 96 24.149 46.237 -48.430 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.730 46.242 -47.613 1.00 11.35 H new ATOM 1428 N ASN A 97 25.072 50.001 -43.781 1.00 24.34 N ATOM 1429 CA ASN A 97 26.104 50.141 -42.763 1.00 24.31 C ATOM 1430 C ASN A 97 26.358 48.805 -42.080 1.00 43.41 C ATOM 1431 O ASN A 97 25.532 48.326 -41.298 1.00 33.42 O ATOM 1432 CB ASN A 97 25.693 51.199 -41.735 1.00 32.34 C ATOM 1433 CG ASN A 97 26.832 51.608 -40.820 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.033 51.030 -39.753 1.00 11.22 O ATOM 1435 ND2 ASN A 97 27.583 52.620 -41.233 1.00 2.51 N ATOM 0 H ASN A 97 24.118 50.096 -43.433 1.00 24.34 H new ATOM 0 HA ASN A 97 27.028 50.464 -43.243 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.319 52.080 -42.257 1.00 32.34 H new ATOM 0 HB3 ASN A 97 24.871 50.813 -41.133 1.00 32.34 H new ATOM 0 HD21 ASN A 97 28.361 52.946 -40.659 1.00 2.51 H new ATOM 0 HD22 ASN A 97 27.383 53.073 -42.125 1.00 2.51 H new ATOM 1442 N VAL A 98 27.493 48.194 -42.392 1.00 45.14 N ATOM 1443 CA VAL A 98 27.821 46.880 -41.868 1.00 72.02 C ATOM 1444 C VAL A 98 28.803 46.972 -40.709 1.00 15.31 C ATOM 1445 O VAL A 98 29.947 47.395 -40.874 1.00 42.35 O ATOM 1446 CB VAL A 98 28.409 45.964 -42.962 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.935 44.668 -42.364 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.361 45.660 -44.015 1.00 24.02 C ATOM 0 H VAL A 98 28.203 48.591 -43.008 1.00 45.14 H new ATOM 0 HA VAL A 98 26.888 46.447 -41.509 1.00 72.02 H new ATOM 0 HB VAL A 98 29.242 46.490 -43.429 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.344 44.041 -43.157 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.718 44.893 -41.639 1.00 50.42 H new ATOM 0 HG13 VAL A 98 28.121 44.140 -41.867 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.791 45.013 -44.780 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.513 45.158 -43.550 1.00 24.02 H new ATOM 0 HG23 VAL A 98 27.025 46.590 -44.473 1.00 24.02 H new ATOM 1458 N THR A 99 28.340 46.583 -39.539 1.00 13.53 N ATOM 1459 CA THR A 99 29.191 46.469 -38.376 1.00 63.52 C ATOM 1460 C THR A 99 29.541 45.005 -38.143 1.00 34.14 C ATOM 1461 O THR A 99 28.694 44.210 -37.732 1.00 52.04 O ATOM 1462 CB THR A 99 28.497 47.046 -37.133 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.168 48.425 -37.354 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.380 46.920 -35.897 1.00 64.32 C ATOM 0 H THR A 99 27.365 46.338 -39.369 1.00 13.53 H new ATOM 0 HA THR A 99 30.103 47.039 -38.553 1.00 63.52 H new ATOM 0 HB THR A 99 27.585 46.474 -36.960 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.724 48.787 -36.559 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.860 47.337 -35.035 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.601 45.869 -35.714 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.311 47.464 -36.058 1.00 64.32 H new ATOM 1472 N ASP A 100 30.778 44.648 -38.452 1.00 61.11 N ATOM 1473 CA ASP A 100 31.238 43.271 -38.317 1.00 23.41 C ATOM 1474 C ASP A 100 31.515 42.924 -36.859 1.00 63.40 C ATOM 1475 O ASP A 100 31.954 43.769 -36.081 1.00 62.23 O ATOM 1476 CB ASP A 100 32.492 43.050 -39.165 1.00 14.41 C ATOM 1477 CG ASP A 100 33.087 41.669 -38.992 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.325 41.568 -38.914 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.325 40.687 -38.909 1.00 11.31 O1- ATOM 0 H ASP A 100 31.486 45.295 -38.800 1.00 61.11 H new ATOM 0 HA ASP A 100 30.447 42.611 -38.674 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.245 43.204 -40.215 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.240 43.798 -38.900 1.00 14.41 H new ATOM 1484 N ARG A 101 31.247 41.679 -36.503 1.00 1.22 N ATOM 1485 CA ARG A 101 31.469 41.197 -35.150 1.00 70.42 C ATOM 1486 C ARG A 101 32.738 40.344 -35.110 1.00 41.44 C ATOM 1487 O ARG A 101 33.406 40.245 -34.082 1.00 3.54 O ATOM 1488 CB ARG A 101 30.238 40.388 -34.700 1.00 70.04 C ATOM 1489 CG ARG A 101 30.150 40.092 -33.205 1.00 12.41 C ATOM 1490 CD ARG A 101 31.071 38.956 -32.785 1.00 13.24 C ATOM 1491 NE ARG A 101 30.893 37.760 -33.610 1.00 14.53 N ATOM 1492 CZ ARG A 101 31.828 36.821 -33.763 1.00 32.32 C ATOM 1493 NH1 ARG A 101 32.985 36.913 -33.119 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 31.600 35.783 -34.556 1.00 52.25 N ATOM 0 H ARG A 101 30.871 40.977 -37.140 1.00 1.22 H new ATOM 0 HA ARG A 101 31.605 42.035 -34.467 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.341 40.931 -34.997 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.231 39.441 -35.240 1.00 70.04 H new ATOM 0 HG2 ARG A 101 30.406 40.991 -32.644 1.00 12.41 H new ATOM 0 HG3 ARG A 101 29.122 39.837 -32.947 1.00 12.41 H new ATOM 0 HD2 ARG A 101 32.107 39.289 -32.851 1.00 13.24 H new ATOM 0 HD3 ARG A 101 30.882 38.706 -31.741 1.00 13.24 H new ATOM 0 HE ARG A 101 30.004 37.638 -34.095 1.00 14.53 H new ATOM 0 HH11 ARG A 101 33.164 37.705 -32.502 1.00 20.33 H new ATOM 0 HH12 ARG A 101 33.695 36.191 -33.241 1.00 20.33 H new ATOM 0 HH21 ARG A 101 30.710 35.703 -35.048 1.00 52.25 H new ATOM 0 HH22 ARG A 101 32.314 35.064 -34.674 1.00 52.25 H new ATOM 1508 N LYS A 102 33.081 39.763 -36.251 1.00 25.22 N ATOM 1509 CA LYS A 102 34.182 38.812 -36.330 1.00 51.24 C ATOM 1510 C LYS A 102 35.534 39.522 -36.230 1.00 24.03 C ATOM 1511 O LYS A 102 36.341 39.217 -35.348 1.00 61.52 O ATOM 1512 CB LYS A 102 34.067 38.014 -37.632 1.00 63.24 C ATOM 1513 CG LYS A 102 32.728 37.303 -37.764 1.00 64.00 C ATOM 1514 CD LYS A 102 32.518 36.690 -39.141 1.00 42.35 C ATOM 1515 CE LYS A 102 33.399 35.472 -39.371 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.012 34.752 -40.613 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.610 39.935 -37.139 1.00 25.22 H new ATOM 0 HA LYS A 102 34.121 38.124 -35.486 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.203 38.686 -38.479 1.00 63.24 H new ATOM 0 HB3 LYS A 102 34.871 37.279 -37.676 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.662 36.520 -37.009 1.00 64.00 H new ATOM 0 HG3 LYS A 102 31.925 38.011 -37.560 1.00 64.00 H new ATOM 0 HD2 LYS A 102 31.472 36.405 -39.254 1.00 42.35 H new ATOM 0 HD3 LYS A 102 32.729 37.438 -39.905 1.00 42.35 H new ATOM 0 HE2 LYS A 102 34.442 35.782 -39.438 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.321 34.798 -38.518 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 32.749 33.773 -40.379 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 32.202 35.232 -41.054 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 33.814 34.747 -41.275 1.00 73.14 H new ATOM 1530 N THR A 103 35.772 40.473 -37.117 1.00 32.11 N ATOM 1531 CA THR A 103 36.991 41.267 -37.074 1.00 65.25 C ATOM 1532 C THR A 103 36.676 42.697 -36.638 1.00 51.12 C ATOM 1533 O THR A 103 37.526 43.400 -36.087 1.00 72.12 O ATOM 1534 CB THR A 103 37.709 41.288 -38.443 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.842 41.803 -39.468 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.179 39.894 -38.832 1.00 15.44 C ATOM 0 H THR A 103 35.137 40.715 -37.877 1.00 32.11 H new ATOM 0 HA THR A 103 37.658 40.802 -36.349 1.00 65.25 H new ATOM 0 HB THR A 103 38.576 41.941 -38.348 1.00 3.51 H new ATOM 0 HG1 THR A 103 35.966 42.010 -39.081 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.681 39.936 -39.799 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.873 39.521 -38.079 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.320 39.226 -38.898 1.00 15.44 H new ATOM 1544 N GLY A 104 35.442 43.115 -36.884 1.00 65.24 N ATOM 1545 CA GLY A 104 35.001 44.435 -36.480 1.00 42.41 C ATOM 1546 C GLY A 104 35.048 45.438 -37.614 1.00 24.42 C ATOM 1547 O GLY A 104 34.942 46.646 -37.393 1.00 13.23 O ATOM 0 H GLY A 104 34.733 42.558 -37.360 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.982 44.372 -36.098 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.628 44.788 -35.661 1.00 42.41 H new ATOM 1551 N GLN A 105 35.194 44.931 -38.830 1.00 51.35 N ATOM 1552 CA GLN A 105 35.233 45.778 -40.011 1.00 72.04 C ATOM 1553 C GLN A 105 33.903 46.485 -40.224 1.00 12.40 C ATOM 1554 O GLN A 105 32.895 45.864 -40.562 1.00 64.30 O ATOM 1555 CB GLN A 105 35.604 44.959 -41.248 1.00 71.44 C ATOM 1556 CG GLN A 105 37.102 44.786 -41.423 1.00 11.23 C ATOM 1557 CD GLN A 105 37.796 46.106 -41.685 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.222 47.012 -42.293 1.00 42.45 O ATOM 1559 NE2 GLN A 105 39.027 46.229 -41.224 1.00 23.32 N ATOM 0 H GLN A 105 35.288 43.934 -39.024 1.00 51.35 H new ATOM 0 HA GLN A 105 35.998 46.538 -39.852 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.137 43.977 -41.179 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.195 45.445 -42.134 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.521 44.327 -40.528 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.294 44.104 -42.251 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.465 45.454 -40.726 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.540 47.099 -41.366 1.00 23.32 H new ATOM 1568 N THR A 106 33.911 47.785 -40.001 1.00 25.35 N ATOM 1569 CA THR A 106 32.748 48.610 -40.239 1.00 43.25 C ATOM 1570 C THR A 106 32.760 49.083 -41.689 1.00 44.11 C ATOM 1571 O THR A 106 33.498 50.002 -42.047 1.00 33.22 O ATOM 1572 CB THR A 106 32.728 49.823 -39.290 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.013 49.390 -37.952 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.374 50.512 -39.318 1.00 5.13 C ATOM 0 H THR A 106 34.722 48.295 -39.651 1.00 25.35 H new ATOM 0 HA THR A 106 31.852 48.019 -40.049 1.00 43.25 H new ATOM 0 HB THR A 106 33.486 50.532 -39.622 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.002 50.162 -37.349 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.386 51.365 -38.640 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.162 50.856 -40.330 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.602 49.810 -39.004 1.00 5.13 H new ATOM 1582 N SER A 107 31.982 48.425 -42.527 1.00 30.10 N ATOM 1583 CA SER A 107 31.989 48.714 -43.949 1.00 71.15 C ATOM 1584 C SER A 107 30.764 49.538 -44.325 1.00 42.21 C ATOM 1585 O SER A 107 29.669 49.325 -43.796 1.00 53.14 O ATOM 1586 CB SER A 107 32.035 47.408 -44.746 1.00 62.32 C ATOM 1587 OG SER A 107 32.408 47.639 -46.092 1.00 35.01 O ATOM 0 H SER A 107 31.337 47.686 -42.248 1.00 30.10 H new ATOM 0 HA SER A 107 32.877 49.297 -44.191 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.744 46.722 -44.283 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.058 46.926 -44.715 1.00 62.32 H new ATOM 0 HG SER A 107 32.431 46.787 -46.576 1.00 35.01 H new ATOM 1593 N THR A 108 30.957 50.490 -45.221 1.00 61.34 N ATOM 1594 CA THR A 108 29.878 51.355 -45.657 1.00 45.01 C ATOM 1595 C THR A 108 29.600 51.161 -47.145 1.00 51.14 C ATOM 1596 O THR A 108 30.378 51.597 -47.995 1.00 24.12 O ATOM 1597 CB THR A 108 30.224 52.829 -45.376 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.549 52.997 -43.988 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.065 53.737 -45.742 1.00 12.31 C ATOM 0 H THR A 108 31.856 50.683 -45.662 1.00 61.34 H new ATOM 0 HA THR A 108 28.982 51.089 -45.097 1.00 45.01 H new ATOM 0 HB THR A 108 31.083 53.101 -45.989 1.00 51.54 H new ATOM 0 HG1 THR A 108 30.770 53.936 -43.815 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.334 54.773 -45.534 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.837 53.627 -46.802 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.189 53.465 -45.153 1.00 12.31 H new ATOM 1607 N ILE A 109 28.495 50.492 -47.455 1.00 13.34 N ATOM 1608 CA ILE A 109 28.151 50.193 -48.838 1.00 55.11 C ATOM 1609 C ILE A 109 26.918 50.983 -49.271 1.00 14.15 C ATOM 1610 O ILE A 109 25.796 50.676 -48.867 1.00 1.14 O ATOM 1611 CB ILE A 109 27.880 48.680 -49.071 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.078 47.818 -48.642 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.551 48.419 -50.536 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.134 47.539 -47.156 1.00 12.41 C ATOM 0 H ILE A 109 27.824 50.148 -46.768 1.00 13.34 H new ATOM 0 HA ILE A 109 29.015 50.483 -49.436 1.00 55.11 H new ATOM 0 HB ILE A 109 27.025 48.401 -48.455 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.041 46.870 -49.178 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.999 48.318 -48.942 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.364 47.355 -50.683 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.663 48.986 -50.816 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.391 48.729 -51.158 1.00 4.42 H new ATOM 0 HD11 ILE A 109 30.007 46.925 -46.934 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.204 48.481 -46.611 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.231 47.010 -46.851 1.00 12.41 H new ATOM 1626 N GLN A 110 27.128 52.015 -50.071 1.00 42.43 N ATOM 1627 CA GLN A 110 26.027 52.775 -50.632 1.00 3.53 C ATOM 1628 C GLN A 110 25.286 51.960 -51.682 1.00 10.22 C ATOM 1629 O GLN A 110 25.830 51.003 -52.247 1.00 61.10 O ATOM 1630 CB GLN A 110 26.528 54.079 -51.244 1.00 51.25 C ATOM 1631 CG GLN A 110 26.867 55.125 -50.205 1.00 2.41 C ATOM 1632 CD GLN A 110 27.467 56.381 -50.805 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.145 56.764 -51.932 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.354 57.026 -50.065 1.00 32.10 N ATOM 0 H GLN A 110 28.053 52.345 -50.346 1.00 42.43 H new ATOM 0 HA GLN A 110 25.337 53.010 -49.822 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.412 53.875 -51.848 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.767 54.475 -51.916 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.964 55.388 -49.653 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.568 54.701 -49.486 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.594 56.677 -49.137 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.798 57.872 -50.422 1.00 32.10 H new ATOM 1643 N VAL A 111 24.044 52.342 -51.923 1.00 22.34 N ATOM 1644 CA VAL A 111 23.197 51.668 -52.890 1.00 74.24 C ATOM 1645 C VAL A 111 23.808 51.698 -54.297 1.00 21.00 C ATOM 1646 O VAL A 111 23.991 52.759 -54.900 1.00 75.11 O ATOM 1647 CB VAL A 111 21.778 52.280 -52.897 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.825 53.791 -53.063 1.00 13.23 C ATOM 1649 CG2 VAL A 111 20.928 51.647 -53.980 1.00 44.35 C ATOM 0 H VAL A 111 23.595 53.128 -51.454 1.00 22.34 H new ATOM 0 HA VAL A 111 23.122 50.624 -52.587 1.00 74.24 H new ATOM 0 HB VAL A 111 21.320 52.068 -51.931 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.810 54.189 -53.064 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.386 54.230 -52.238 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.312 54.038 -54.006 1.00 13.23 H new ATOM 0 HG21 VAL A 111 19.933 52.092 -53.968 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.390 51.818 -54.952 1.00 44.35 H new ATOM 0 HG23 VAL A 111 20.848 50.575 -53.800 1.00 44.35 H new ATOM 1659 N SER A 112 24.156 50.523 -54.791 1.00 13.43 N ATOM 1660 CA SER A 112 24.706 50.379 -56.127 1.00 25.44 C ATOM 1661 C SER A 112 23.587 50.151 -57.138 1.00 41.43 C ATOM 1662 O SER A 112 23.641 50.633 -58.272 1.00 54.32 O ATOM 1663 CB SER A 112 25.697 49.213 -56.140 1.00 73.52 C ATOM 1664 OG SER A 112 25.184 48.109 -55.404 1.00 50.04 O ATOM 0 H SER A 112 24.066 49.645 -54.280 1.00 13.43 H new ATOM 0 HA SER A 112 25.229 51.293 -56.407 1.00 25.44 H new ATOM 0 HB2 SER A 112 25.896 48.910 -57.168 1.00 73.52 H new ATOM 0 HB3 SER A 112 26.647 49.532 -55.712 1.00 73.52 H new ATOM 0 HG SER A 112 25.831 47.373 -55.425 1.00 50.04 H new ATOM 1670 N GLY A 113 22.565 49.430 -56.709 1.00 3.12 N ATOM 1671 CA GLY A 113 21.446 49.126 -57.573 1.00 51.54 C ATOM 1672 C GLY A 113 20.931 47.729 -57.326 1.00 51.43 C ATOM 1673 O GLY A 113 21.479 46.759 -57.849 1.00 53.21 O ATOM 0 H GLY A 113 22.491 49.046 -55.767 1.00 3.12 H new ATOM 0 HA2 GLY A 113 20.646 49.847 -57.404 1.00 51.54 H new ATOM 0 HA3 GLY A 113 21.750 49.226 -58.615 1.00 51.54 H new ATOM 1677 N LEU A 114 19.883 47.623 -56.521 1.00 24.32 N ATOM 1678 CA LEU A 114 19.375 46.326 -56.096 1.00 41.32 C ATOM 1679 C LEU A 114 18.380 45.768 -57.108 1.00 21.34 C ATOM 1680 O LEU A 114 18.609 44.703 -57.683 1.00 34.33 O ATOM 1681 CB LEU A 114 18.719 46.447 -54.717 1.00 64.43 C ATOM 1682 CG LEU A 114 19.615 47.026 -53.621 1.00 3.52 C ATOM 1683 CD1 LEU A 114 18.856 47.125 -52.308 1.00 71.24 C ATOM 1684 CD2 LEU A 114 20.867 46.181 -53.452 1.00 25.04 C ATOM 0 H LEU A 114 19.367 48.420 -56.149 1.00 24.32 H new ATOM 0 HA LEU A 114 20.214 45.634 -56.033 1.00 41.32 H new ATOM 0 HB2 LEU A 114 17.831 47.073 -54.808 1.00 64.43 H new ATOM 0 HB3 LEU A 114 18.381 45.459 -54.404 1.00 64.43 H new ATOM 0 HG LEU A 114 19.917 48.030 -53.920 1.00 3.52 H new ATOM 0 HD11 LEU A 114 19.510 47.539 -51.540 1.00 71.24 H new ATOM 0 HD12 LEU A 114 17.990 47.775 -52.436 1.00 71.24 H new ATOM 0 HD13 LEU A 114 18.523 46.132 -52.004 1.00 71.24 H new ATOM 0 HD21 LEU A 114 21.492 46.609 -52.668 1.00 25.04 H new ATOM 0 HD22 LEU A 114 20.586 45.164 -53.177 1.00 25.04 H new ATOM 0 HD23 LEU A 114 21.423 46.163 -54.389 1.00 25.04 H new ATOM 1696 N GLN A 115 17.293 46.514 -57.327 1.00 45.34 N ATOM 1697 CA GLN A 115 16.204 46.107 -58.226 1.00 40.42 C ATOM 1698 C GLN A 115 15.507 44.843 -57.724 1.00 4.04 C ATOM 1699 O GLN A 115 16.054 43.741 -57.792 1.00 53.53 O ATOM 1700 CB GLN A 115 16.702 45.900 -59.660 1.00 34.14 C ATOM 1701 CG GLN A 115 17.284 47.154 -60.284 1.00 25.34 C ATOM 1702 CD GLN A 115 17.503 47.012 -61.776 1.00 62.34 C ATOM 1703 OE1 GLN A 115 17.746 45.916 -62.284 1.00 30.31 O ATOM 1704 NE2 GLN A 115 17.409 48.121 -62.489 1.00 61.02 N ATOM 0 H GLN A 115 17.141 47.421 -56.885 1.00 45.34 H new ATOM 0 HA GLN A 115 15.479 46.921 -58.231 1.00 40.42 H new ATOM 0 HB2 GLN A 115 17.460 45.116 -59.664 1.00 34.14 H new ATOM 0 HB3 GLN A 115 15.875 45.547 -60.276 1.00 34.14 H new ATOM 0 HG2 GLN A 115 16.614 47.993 -60.097 1.00 25.34 H new ATOM 0 HG3 GLN A 115 18.233 47.389 -59.802 1.00 25.34 H new ATOM 0 HE21 GLN A 115 17.206 49.008 -62.028 1.00 61.02 H new ATOM 0 HE22 GLN A 115 17.539 48.090 -63.500 1.00 61.02 H new ATOM 1713 N ASN A 116 14.294 45.007 -57.224 1.00 43.54 N ATOM 1714 CA ASN A 116 13.548 43.891 -56.664 1.00 10.42 C ATOM 1715 C ASN A 116 12.352 43.539 -57.543 1.00 30.14 C ATOM 1716 O ASN A 116 11.786 44.398 -58.219 1.00 42.14 O ATOM 1717 CB ASN A 116 13.068 44.237 -55.249 1.00 13.45 C ATOM 1718 CG ASN A 116 12.389 43.069 -54.557 1.00 41.32 C ATOM 1719 OD1 ASN A 116 12.743 41.908 -54.775 1.00 22.52 O ATOM 1720 ND2 ASN A 116 11.400 43.368 -53.726 1.00 63.44 N ATOM 0 H ASN A 116 13.804 45.901 -57.194 1.00 43.54 H new ATOM 0 HA ASN A 116 14.211 43.027 -56.620 1.00 10.42 H new ATOM 0 HB2 ASN A 116 13.919 44.563 -54.651 1.00 13.45 H new ATOM 0 HB3 ASN A 116 12.374 45.076 -55.300 1.00 13.45 H new ATOM 0 HD21 ASN A 116 10.901 42.624 -53.239 1.00 63.44 H new ATOM 0 HD22 ASN A 116 11.139 44.342 -53.574 1.00 63.44 H new ATOM 1727 N ASN A 117 11.998 42.261 -57.546 1.00 33.24 N ATOM 1728 CA ASN A 117 10.782 41.787 -58.197 1.00 2.33 C ATOM 1729 C ASN A 117 9.794 41.391 -57.110 1.00 51.41 C ATOM 1730 O ASN A 117 10.013 40.411 -56.402 1.00 1.42 O ATOM 1731 CB ASN A 117 11.087 40.586 -59.109 1.00 61.13 C ATOM 1732 CG ASN A 117 9.893 40.129 -59.939 1.00 30.42 C ATOM 1733 OD1 ASN A 117 8.734 40.281 -59.546 1.00 34.24 O ATOM 1734 ND2 ASN A 117 10.175 39.561 -61.102 1.00 5.04 N ATOM 0 H ASN A 117 12.544 41.524 -57.099 1.00 33.24 H new ATOM 0 HA ASN A 117 10.361 42.575 -58.822 1.00 2.33 H new ATOM 0 HB2 ASN A 117 11.905 40.849 -59.779 1.00 61.13 H new ATOM 0 HB3 ASN A 117 11.432 39.754 -58.496 1.00 61.13 H new ATOM 0 HD21 ASN A 117 9.421 39.233 -61.705 1.00 5.04 H new ATOM 0 HD22 ASN A 117 11.146 39.452 -61.394 1.00 5.04 H new ATOM 1741 N SER A 118 8.726 42.167 -56.968 1.00 14.15 N ATOM 1742 CA SER A 118 7.804 42.002 -55.851 1.00 75.22 C ATOM 1743 C SER A 118 7.075 40.659 -55.927 1.00 42.11 C ATOM 1744 O SER A 118 7.363 39.746 -55.151 1.00 3.43 O ATOM 1745 CB SER A 118 6.798 43.163 -55.824 1.00 22.31 C ATOM 1746 OG SER A 118 6.116 43.239 -54.581 1.00 43.44 O ATOM 0 H SER A 118 8.477 42.917 -57.613 1.00 14.15 H new ATOM 0 HA SER A 118 8.381 42.012 -54.927 1.00 75.22 H new ATOM 0 HB2 SER A 118 7.320 44.101 -56.010 1.00 22.31 H new ATOM 0 HB3 SER A 118 6.074 43.036 -56.629 1.00 22.31 H new ATOM 0 HG SER A 118 5.486 43.989 -54.599 1.00 43.44 H new ATOM 1752 N THR A 119 6.152 40.536 -56.872 1.00 1.13 N ATOM 1753 CA THR A 119 5.351 39.326 -57.002 1.00 11.34 C ATOM 1754 C THR A 119 4.887 39.137 -58.444 1.00 73.20 C ATOM 1755 O THR A 119 4.334 40.058 -59.050 1.00 53.00 O ATOM 1756 CB THR A 119 4.104 39.378 -56.091 1.00 14.15 C ATOM 1757 OG1 THR A 119 4.464 39.790 -54.765 1.00 61.21 O ATOM 1758 CG2 THR A 119 3.416 38.021 -56.025 1.00 31.13 C ATOM 0 H THR A 119 5.940 41.259 -57.559 1.00 1.13 H new ATOM 0 HA THR A 119 5.984 38.491 -56.702 1.00 11.34 H new ATOM 0 HB THR A 119 3.414 40.104 -56.521 1.00 14.15 H new ATOM 0 HG1 THR A 119 3.662 39.819 -54.202 1.00 61.21 H new ATOM 0 HG21 THR A 119 2.542 38.087 -55.377 1.00 31.13 H new ATOM 0 HG22 THR A 119 3.104 37.722 -57.026 1.00 31.13 H new ATOM 0 HG23 THR A 119 4.109 37.281 -55.625 1.00 31.13 H new ATOM 1766 N ASP A 120 5.123 37.955 -58.994 1.00 14.24 N ATOM 1767 CA ASP A 120 4.620 37.621 -60.318 1.00 62.41 C ATOM 1768 C ASP A 120 3.472 36.620 -60.197 1.00 11.22 C ATOM 1769 O ASP A 120 3.525 35.687 -59.392 1.00 34.13 O ATOM 1770 CB ASP A 120 5.744 37.084 -61.215 1.00 21.11 C ATOM 1771 CG ASP A 120 6.265 35.720 -60.807 1.00 5.01 C ATOM 1772 OD1 ASP A 120 6.612 35.529 -59.623 1.00 42.22 O ATOM 1773 OD2 ASP A 120 6.354 34.834 -61.684 1.00 22.14 O1- ATOM 0 H ASP A 120 5.659 37.212 -58.545 1.00 14.24 H new ATOM 0 HA ASP A 120 4.239 38.526 -60.790 1.00 62.41 H new ATOM 0 HB2 ASP A 120 5.380 37.030 -62.241 1.00 21.11 H new ATOM 0 HB3 ASP A 120 6.571 37.794 -61.207 1.00 21.11 H new ATOM 1778 N PHE A 121 2.424 36.833 -60.978 1.00 13.21 N ATOM 1779 CA PHE A 121 1.198 36.055 -60.847 1.00 25.12 C ATOM 1780 C PHE A 121 1.295 34.724 -61.591 1.00 43.12 C ATOM 1781 O PHE A 121 1.801 34.661 -62.714 1.00 24.43 O ATOM 1782 CB PHE A 121 0.007 36.868 -61.369 1.00 11.52 C ATOM 1783 CG PHE A 121 -1.333 36.233 -61.126 1.00 23.13 C ATOM 1784 CD1 PHE A 121 -1.996 36.429 -59.926 1.00 75.24 C ATOM 1785 CD2 PHE A 121 -1.936 35.455 -62.101 1.00 41.35 C ATOM 1786 CE1 PHE A 121 -3.235 35.863 -59.703 1.00 60.15 C ATOM 1787 CE2 PHE A 121 -3.173 34.882 -61.881 1.00 43.42 C ATOM 1788 CZ PHE A 121 -3.824 35.088 -60.681 1.00 30.42 C ATOM 0 H PHE A 121 2.397 37.540 -61.712 1.00 13.21 H new ATOM 0 HA PHE A 121 1.051 35.833 -59.790 1.00 25.12 H new ATOM 0 HB2 PHE A 121 0.020 37.851 -60.899 1.00 11.52 H new ATOM 0 HB3 PHE A 121 0.132 37.025 -62.440 1.00 11.52 H new ATOM 0 HD1 PHE A 121 -1.538 37.032 -59.156 1.00 75.24 H new ATOM 0 HD2 PHE A 121 -1.433 35.295 -63.043 1.00 41.35 H new ATOM 0 HE1 PHE A 121 -3.743 36.027 -58.764 1.00 60.15 H new ATOM 0 HE2 PHE A 121 -3.631 34.273 -62.647 1.00 43.42 H new ATOM 0 HZ PHE A 121 -4.793 34.643 -60.508 1.00 30.42 H new ATOM 1798 N HIS A 122 0.818 33.666 -60.944 1.00 74.33 N ATOM 1799 CA HIS A 122 0.746 32.336 -61.547 1.00 33.51 C ATOM 1800 C HIS A 122 -0.654 31.774 -61.355 1.00 61.51 C ATOM 1801 O HIS A 122 -1.476 32.383 -60.670 1.00 44.21 O ATOM 1802 CB HIS A 122 1.766 31.380 -60.913 1.00 14.54 C ATOM 1803 CG HIS A 122 3.195 31.702 -61.222 1.00 14.41 C ATOM 1804 ND1 HIS A 122 3.906 31.098 -62.237 1.00 72.31 N ATOM 1805 CD2 HIS A 122 4.055 32.557 -60.626 1.00 55.51 C ATOM 1806 CE1 HIS A 122 5.137 31.566 -62.246 1.00 74.34 C ATOM 1807 NE2 HIS A 122 5.256 32.458 -61.282 1.00 72.12 N ATOM 0 H HIS A 122 0.470 33.704 -59.986 1.00 74.33 H new ATOM 0 HA HIS A 122 0.977 32.428 -62.608 1.00 33.51 H new ATOM 0 HB2 HIS A 122 1.630 31.390 -59.832 1.00 14.54 H new ATOM 0 HB3 HIS A 122 1.554 30.366 -61.252 1.00 14.54 H new ATOM 0 HD2 HIS A 122 3.837 33.201 -59.787 1.00 55.51 H new ATOM 0 HE1 HIS A 122 5.919 31.269 -62.929 1.00 74.34 H new ATOM 0 HE2 HIS A 122 6.100 32.986 -61.061 1.00 72.12 H new ATOM 1816 N HIS A 123 -0.908 30.605 -61.944 1.00 41.22 N ATOM 1817 CA HIS A 123 -2.201 29.923 -61.823 1.00 40.20 C ATOM 1818 C HIS A 123 -3.317 30.711 -62.509 1.00 14.21 C ATOM 1819 O HIS A 123 -3.057 31.638 -63.280 1.00 55.44 O ATOM 1820 CB HIS A 123 -2.573 29.689 -60.350 1.00 64.15 C ATOM 1821 CG HIS A 123 -1.689 28.722 -59.621 1.00 33.35 C ATOM 1822 ND1 HIS A 123 -2.113 27.471 -59.227 1.00 51.31 N ATOM 1823 CD2 HIS A 123 -0.409 28.831 -59.194 1.00 23.32 C ATOM 1824 CE1 HIS A 123 -1.137 26.860 -58.585 1.00 62.03 C ATOM 1825 NE2 HIS A 123 -0.090 27.661 -58.553 1.00 11.12 N ATOM 0 H HIS A 123 -0.228 30.104 -62.516 1.00 41.22 H new ATOM 0 HA HIS A 123 -2.096 28.959 -62.320 1.00 40.20 H new ATOM 0 HB2 HIS A 123 -2.549 30.646 -59.828 1.00 64.15 H new ATOM 0 HB3 HIS A 123 -3.600 29.326 -60.303 1.00 64.15 H new ATOM 0 HD2 HIS A 123 0.241 29.682 -59.332 1.00 23.32 H new ATOM 0 HE1 HIS A 123 -1.187 25.870 -58.157 1.00 62.03 H new ATOM 0 HE2 HIS A 123 0.809 27.446 -58.122 1.00 11.12 H new ATOM 1834 N HIS A 124 -4.553 30.304 -62.228 1.00 75.21 N ATOM 1835 CA HIS A 124 -5.754 30.964 -62.735 1.00 61.31 C ATOM 1836 C HIS A 124 -5.788 30.979 -64.263 1.00 45.43 C ATOM 1837 O HIS A 124 -5.476 31.989 -64.898 1.00 72.22 O ATOM 1838 CB HIS A 124 -5.884 32.390 -62.184 1.00 55.11 C ATOM 1839 CG HIS A 124 -7.257 32.967 -62.364 1.00 30.43 C ATOM 1840 ND1 HIS A 124 -8.121 33.182 -61.316 1.00 72.32 N ATOM 1841 CD2 HIS A 124 -7.918 33.363 -63.476 1.00 11.23 C ATOM 1842 CE1 HIS A 124 -9.254 33.673 -61.775 1.00 60.11 C ATOM 1843 NE2 HIS A 124 -9.160 33.796 -63.084 1.00 42.31 N ATOM 0 H HIS A 124 -4.751 29.498 -61.635 1.00 75.21 H new ATOM 0 HA HIS A 124 -6.607 30.382 -62.385 1.00 61.31 H new ATOM 0 HB2 HIS A 124 -5.634 32.388 -61.123 1.00 55.11 H new ATOM 0 HB3 HIS A 124 -5.158 33.033 -62.681 1.00 55.11 H new ATOM 0 HD2 HIS A 124 -7.538 33.342 -64.487 1.00 11.23 H new ATOM 0 HE1 HIS A 124 -10.116 33.932 -61.178 1.00 60.11 H new ATOM 0 HE2 HIS A 124 -9.888 34.153 -63.702 1.00 42.31 H new ATOM 1852 N HIS A 125 -6.159 29.840 -64.837 1.00 33.11 N ATOM 1853 CA HIS A 125 -6.352 29.703 -66.277 1.00 42.42 C ATOM 1854 C HIS A 125 -6.848 28.294 -66.580 1.00 12.25 C ATOM 1855 O HIS A 125 -6.683 27.391 -65.762 1.00 65.23 O ATOM 1856 CB HIS A 125 -5.055 30.008 -67.063 1.00 11.44 C ATOM 1857 CG HIS A 125 -3.994 28.939 -67.011 1.00 60.43 C ATOM 1858 ND1 HIS A 125 -3.090 28.739 -68.032 1.00 71.41 N ATOM 1859 CD2 HIS A 125 -3.700 28.006 -66.072 1.00 3.32 C ATOM 1860 CE1 HIS A 125 -2.296 27.732 -67.725 1.00 54.41 C ATOM 1861 NE2 HIS A 125 -2.642 27.264 -66.540 1.00 54.24 N ATOM 0 H HIS A 125 -6.335 28.982 -64.315 1.00 33.11 H new ATOM 0 HA HIS A 125 -7.095 30.432 -66.599 1.00 42.42 H new ATOM 0 HB2 HIS A 125 -5.317 30.184 -68.106 1.00 11.44 H new ATOM 0 HB3 HIS A 125 -4.629 30.936 -66.680 1.00 11.44 H new ATOM 0 HD2 HIS A 125 -4.206 27.870 -65.127 1.00 3.32 H new ATOM 0 HE1 HIS A 125 -1.495 27.353 -68.341 1.00 54.41 H new ATOM 0 HE2 HIS A 125 -2.199 26.484 -66.054 1.00 54.24 H new ATOM 1870 N HIS A 126 -7.466 28.109 -67.730 1.00 22.41 N ATOM 1871 CA HIS A 126 -7.939 26.791 -68.123 1.00 73.13 C ATOM 1872 C HIS A 126 -7.066 26.219 -69.228 1.00 14.44 C ATOM 1873 O HIS A 126 -6.247 26.934 -69.807 1.00 61.23 O ATOM 1874 CB HIS A 126 -9.407 26.846 -68.552 1.00 23.41 C ATOM 1875 CG HIS A 126 -10.342 26.957 -67.389 1.00 43.53 C ATOM 1876 ND1 HIS A 126 -11.126 28.063 -67.141 1.00 63.22 N ATOM 1877 CD2 HIS A 126 -10.608 26.081 -66.394 1.00 54.42 C ATOM 1878 CE1 HIS A 126 -11.824 27.864 -66.040 1.00 42.22 C ATOM 1879 NE2 HIS A 126 -11.528 26.668 -65.565 1.00 15.42 N ATOM 0 H HIS A 126 -7.653 28.849 -68.407 1.00 22.41 H new ATOM 0 HA HIS A 126 -7.869 26.129 -67.260 1.00 73.13 H new ATOM 0 HB2 HIS A 126 -9.556 27.697 -69.216 1.00 23.41 H new ATOM 0 HB3 HIS A 126 -9.649 25.950 -69.124 1.00 23.41 H new ATOM 0 HD2 HIS A 126 -10.175 25.099 -66.274 1.00 54.42 H new ATOM 0 HE1 HIS A 126 -12.521 28.562 -65.600 1.00 42.22 H new ATOM 0 HE2 HIS A 126 -11.919 26.250 -64.721 1.00 15.42 H new ATOM 1888 N HIS A 127 -7.243 24.929 -69.501 1.00 12.35 N ATOM 1889 CA HIS A 127 -6.420 24.209 -70.473 1.00 31.34 C ATOM 1890 C HIS A 127 -4.972 24.152 -70.000 1.00 12.31 C ATOM 1891 O HIS A 127 -4.698 23.440 -69.011 1.00 54.42 O ATOM 1892 CB HIS A 127 -6.491 24.855 -71.865 1.00 12.42 C ATOM 1893 CG HIS A 127 -7.829 24.744 -72.528 1.00 22.42 C ATOM 1894 ND1 HIS A 127 -8.144 23.740 -73.415 1.00 5.05 N ATOM 1895 CD2 HIS A 127 -8.927 25.532 -72.448 1.00 4.12 C ATOM 1896 CE1 HIS A 127 -9.377 23.911 -73.852 1.00 42.13 C ATOM 1897 NE2 HIS A 127 -9.874 24.990 -73.280 1.00 54.43 N ATOM 1898 OXT HIS A 127 -4.115 24.817 -70.613 1.00 0.00 O1- ATOM 0 H HIS A 127 -7.958 24.353 -69.057 1.00 12.35 H new ATOM 0 HA HIS A 127 -6.815 23.196 -70.552 1.00 31.34 H new ATOM 0 HB2 HIS A 127 -6.228 25.909 -71.777 1.00 12.42 H new ATOM 0 HB3 HIS A 127 -5.741 24.392 -72.506 1.00 12.42 H new ATOM 0 HD2 HIS A 127 -9.037 26.420 -71.843 1.00 4.12 H new ATOM 0 HE1 HIS A 127 -9.891 23.276 -74.558 1.00 42.13 H new ATOM 0 HE2 HIS A 127 -10.812 25.362 -73.432 1.00 54.43 H new TER 1907 HIS A 127