USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 776 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 128 THR OG1 : rot -16:sc= -0.355 USER MOD Set 1.2: A 129 THR OG1 : rot 84:sc= 1.19 USER MOD Set 2.1: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 103 ASN : amide:sc= -0.717 X(o=-0.72,f=-0.49) USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= 0 F(o=-0.89,f=-0.29) USER MOD Set 3.2: A 61 GLN :FLIP amide:sc= -0.286 F(o=-1.2,f=-0.29) USER MOD Set 4.1: A 37 MET CE :methyl 144:sc= -0.268 (180deg=-1.63) USER MOD Set 4.2: A 41 THR OG1 : rot 71:sc= 0.713 USER MOD Single : A 18 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.1!) USER MOD Single : A 22 GLN : amide:sc= -0.744 K(o=-0.74,f=-4.4!) USER MOD Single : A 23 SER OG : rot 90:sc= 0.159 USER MOD Single : A 25 SER OG : rot 88:sc= 0.759 USER MOD Single : A 26 SER OG : rot -44:sc= 0.328 USER MOD Single : A 27 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.074) USER MOD Single : A 30 SER OG : rot 180:sc= -0.157 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 85:sc= 1.14 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 82:sc= 0.112 USER MOD Single : A 46 GLN : amide:sc= -2.66 K(o=-2.7,f=-3.3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -23:sc= 1.09 USER MOD Single : A 53 SER OG : rot 150:sc= 1.24 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 57 ASN : amide:sc= -2.67 K(o=-2.7,f=-4.5!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl 179:sc= -0.135 (180deg=-0.137) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0334 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00841 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.116 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 90:sc= -1.47 USER MOD Single : A 95 ASN : amide:sc= -0.0411 X(o=-0.041,f=-0.39) USER MOD Single : A 98 SER OG : rot -120:sc= -0.456 USER MOD Single : A 107 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.5) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 88:sc= 0.0199 USER MOD Single : A 125 SER OG : rot 87:sc= 0.127 USER MOD Single : A 126 SER OG : rot -140:sc= -0.0206 USER MOD Single : A 130 THR OG1 : rot 139:sc= 0.129 USER MOD Single : A 132 THR OG1 : rot -115:sc= 0.145 USER MOD Single : A 133 SER OG : rot -101:sc= 0.00873 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot 180:sc= -0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -17.249 -1.632 -1.176 1.00 52.14 N ATOM 2 CA GLY A 17 -15.856 -1.627 -0.770 1.00 3.52 C ATOM 3 C GLY A 17 -15.334 -0.228 -0.504 1.00 73.11 C ATOM 4 O GLY A 17 -14.412 -0.041 0.288 1.00 11.34 O ATOM 0 HA2 GLY A 17 -15.741 -2.232 0.130 1.00 3.52 H new ATOM 0 HA3 GLY A 17 -15.252 -2.095 -1.548 1.00 3.52 H new ATOM 8 N ASN A 18 -15.926 0.759 -1.172 1.00 52.41 N ATOM 9 CA ASN A 18 -15.514 2.148 -1.006 1.00 12.14 C ATOM 10 C ASN A 18 -15.759 2.621 0.424 1.00 54.33 C ATOM 11 O ASN A 18 -14.921 3.298 1.018 1.00 61.33 O ATOM 12 CB ASN A 18 -16.268 3.046 -1.988 1.00 73.03 C ATOM 13 CG ASN A 18 -15.995 2.677 -3.435 1.00 22.41 C ATOM 14 OD1 ASN A 18 -15.297 1.702 -3.717 1.00 2.52 O ATOM 15 ND2 ASN A 18 -16.547 3.456 -4.358 1.00 71.32 N ATOM 0 H ASN A 18 -16.691 0.622 -1.832 1.00 52.41 H new ATOM 0 HA ASN A 18 -14.446 2.211 -1.213 1.00 12.14 H new ATOM 0 HB2 ASN A 18 -17.338 2.975 -1.793 1.00 73.03 H new ATOM 0 HB3 ASN A 18 -15.982 4.084 -1.820 1.00 73.03 H new ATOM 0 HD21 ASN A 18 -16.400 3.257 -5.348 1.00 71.32 H new ATOM 0 HD22 ASN A 18 -17.118 4.253 -4.077 1.00 71.32 H new ATOM 22 N ALA A 19 -16.916 2.260 0.971 1.00 73.13 N ATOM 23 CA ALA A 19 -17.272 2.646 2.330 1.00 60.34 C ATOM 24 C ALA A 19 -16.271 2.090 3.338 1.00 63.05 C ATOM 25 O ALA A 19 -16.013 2.702 4.375 1.00 14.53 O ATOM 26 CB ALA A 19 -18.678 2.170 2.664 1.00 71.02 C ATOM 0 H ALA A 19 -17.622 1.701 0.493 1.00 73.13 H new ATOM 0 HA ALA A 19 -17.245 3.734 2.391 1.00 60.34 H new ATOM 0 HB1 ALA A 19 -18.930 2.466 3.682 1.00 71.02 H new ATOM 0 HB2 ALA A 19 -19.389 2.619 1.970 1.00 71.02 H new ATOM 0 HB3 ALA A 19 -18.724 1.084 2.580 1.00 71.02 H new ATOM 32 N PHE A 20 -15.708 0.928 3.026 1.00 73.13 N ATOM 33 CA PHE A 20 -14.736 0.289 3.906 1.00 61.50 C ATOM 34 C PHE A 20 -13.466 1.129 4.013 1.00 23.53 C ATOM 35 O PHE A 20 -13.009 1.443 5.112 1.00 21.53 O ATOM 36 CB PHE A 20 -14.393 -1.111 3.390 1.00 44.14 C ATOM 37 CG PHE A 20 -12.977 -1.525 3.676 1.00 14.23 C ATOM 38 CD1 PHE A 20 -12.627 -2.026 4.920 1.00 23.24 C ATOM 39 CD2 PHE A 20 -11.998 -1.412 2.703 1.00 33.40 C ATOM 40 CE1 PHE A 20 -11.326 -2.408 5.187 1.00 31.40 C ATOM 41 CE2 PHE A 20 -10.694 -1.793 2.964 1.00 54.12 C ATOM 42 CZ PHE A 20 -10.358 -2.291 4.207 1.00 15.04 C ATOM 0 H PHE A 20 -15.908 0.409 2.171 1.00 73.13 H new ATOM 0 HA PHE A 20 -15.180 0.205 4.898 1.00 61.50 H new ATOM 0 HB2 PHE A 20 -15.073 -1.833 3.843 1.00 44.14 H new ATOM 0 HB3 PHE A 20 -14.563 -1.145 2.314 1.00 44.14 H new ATOM 0 HD1 PHE A 20 -13.379 -2.119 5.689 1.00 23.24 H new ATOM 0 HD2 PHE A 20 -12.256 -1.022 1.729 1.00 33.40 H new ATOM 0 HE1 PHE A 20 -11.066 -2.797 6.160 1.00 31.40 H new ATOM 0 HE2 PHE A 20 -9.940 -1.701 2.196 1.00 54.12 H new ATOM 0 HZ PHE A 20 -9.341 -2.589 4.413 1.00 15.04 H new ATOM 52 N ALA A 21 -12.902 1.488 2.865 1.00 63.01 N ATOM 53 CA ALA A 21 -11.686 2.292 2.829 1.00 13.13 C ATOM 54 C ALA A 21 -11.963 3.726 3.270 1.00 75.40 C ATOM 55 O ALA A 21 -11.123 4.362 3.904 1.00 4.42 O ATOM 56 CB ALA A 21 -11.081 2.274 1.434 1.00 32.20 C ATOM 0 H ALA A 21 -13.267 1.235 1.947 1.00 63.01 H new ATOM 0 HA ALA A 21 -10.972 1.856 3.527 1.00 13.13 H new ATOM 0 HB1 ALA A 21 -10.174 2.878 1.423 1.00 32.20 H new ATOM 0 HB2 ALA A 21 -10.837 1.249 1.156 1.00 32.20 H new ATOM 0 HB3 ALA A 21 -11.798 2.682 0.721 1.00 32.20 H new ATOM 62 N GLN A 22 -13.145 4.226 2.927 1.00 75.12 N ATOM 63 CA GLN A 22 -13.532 5.586 3.286 1.00 60.33 C ATOM 64 C GLN A 22 -13.740 5.714 4.791 1.00 63.20 C ATOM 65 O GLN A 22 -13.299 6.684 5.407 1.00 15.53 O ATOM 66 CB GLN A 22 -14.810 5.988 2.546 1.00 3.30 C ATOM 67 CG GLN A 22 -15.344 7.352 2.953 1.00 31.30 C ATOM 68 CD GLN A 22 -16.488 7.259 3.944 1.00 72.54 C ATOM 69 OE1 GLN A 22 -16.281 6.978 5.124 1.00 73.21 O ATOM 70 NE2 GLN A 22 -17.706 7.494 3.466 1.00 21.44 N ATOM 0 H GLN A 22 -13.851 3.711 2.401 1.00 75.12 H new ATOM 0 HA GLN A 22 -12.724 6.256 2.991 1.00 60.33 H new ATOM 0 HB2 GLN A 22 -14.614 5.989 1.474 1.00 3.30 H new ATOM 0 HB3 GLN A 22 -15.578 5.237 2.729 1.00 3.30 H new ATOM 0 HG2 GLN A 22 -14.536 7.938 3.391 1.00 31.30 H new ATOM 0 HG3 GLN A 22 -15.681 7.886 2.064 1.00 31.30 H new ATOM 0 HE21 GLN A 22 -17.831 7.724 2.480 1.00 21.44 H new ATOM 0 HE22 GLN A 22 -18.515 7.445 4.085 1.00 21.44 H new ATOM 79 N SER A 23 -14.412 4.728 5.377 1.00 61.03 N ATOM 80 CA SER A 23 -14.681 4.732 6.809 1.00 11.41 C ATOM 81 C SER A 23 -13.381 4.674 7.606 1.00 12.12 C ATOM 82 O SER A 23 -13.202 5.408 8.579 1.00 43.52 O ATOM 83 CB SER A 23 -15.577 3.550 7.184 1.00 23.12 C ATOM 84 OG SER A 23 -16.939 3.839 6.925 1.00 60.33 O ATOM 0 H SER A 23 -14.780 3.916 4.881 1.00 61.03 H new ATOM 0 HA SER A 23 -15.196 5.661 7.055 1.00 11.41 H new ATOM 0 HB2 SER A 23 -15.276 2.668 6.619 1.00 23.12 H new ATOM 0 HB3 SER A 23 -15.447 3.312 8.240 1.00 23.12 H new ATOM 0 HG SER A 23 -17.162 3.569 6.010 1.00 60.33 H new ATOM 90 N LEU A 24 -12.478 3.796 7.187 1.00 23.03 N ATOM 91 CA LEU A 24 -11.192 3.641 7.861 1.00 33.42 C ATOM 92 C LEU A 24 -10.298 4.851 7.616 1.00 60.43 C ATOM 93 O LEU A 24 -9.707 5.399 8.547 1.00 75.14 O ATOM 94 CB LEU A 24 -10.493 2.369 7.379 1.00 23.41 C ATOM 95 CG LEU A 24 -9.071 2.148 7.896 1.00 1.50 C ATOM 96 CD1 LEU A 24 -8.069 2.906 7.039 1.00 23.30 C ATOM 97 CD2 LEU A 24 -8.959 2.575 9.353 1.00 41.44 C ATOM 0 H LEU A 24 -12.611 3.180 6.385 1.00 23.03 H new ATOM 0 HA LEU A 24 -11.378 3.563 8.932 1.00 33.42 H new ATOM 0 HB2 LEU A 24 -11.101 1.512 7.669 1.00 23.41 H new ATOM 0 HB3 LEU A 24 -10.464 2.385 6.290 1.00 23.41 H new ATOM 0 HG LEU A 24 -8.843 1.084 7.832 1.00 1.50 H new ATOM 0 HD11 LEU A 24 -7.062 2.737 7.421 1.00 23.30 H new ATOM 0 HD12 LEU A 24 -8.130 2.553 6.010 1.00 23.30 H new ATOM 0 HD13 LEU A 24 -8.296 3.972 7.071 1.00 23.30 H new ATOM 0 HD21 LEU A 24 -7.940 2.410 9.703 1.00 41.44 H new ATOM 0 HD22 LEU A 24 -9.207 3.633 9.442 1.00 41.44 H new ATOM 0 HD23 LEU A 24 -9.650 1.988 9.958 1.00 41.44 H new ATOM 109 N SER A 25 -10.204 5.265 6.356 1.00 74.15 N ATOM 110 CA SER A 25 -9.382 6.411 5.986 1.00 12.14 C ATOM 111 C SER A 25 -9.884 7.682 6.664 1.00 4.01 C ATOM 112 O SER A 25 -9.094 8.515 7.108 1.00 14.40 O ATOM 113 CB SER A 25 -9.380 6.596 4.468 1.00 64.32 C ATOM 114 OG SER A 25 -8.665 5.551 3.827 1.00 13.43 O ATOM 0 H SER A 25 -10.687 4.823 5.574 1.00 74.15 H new ATOM 0 HA SER A 25 -8.363 6.219 6.322 1.00 12.14 H new ATOM 0 HB2 SER A 25 -10.406 6.618 4.100 1.00 64.32 H new ATOM 0 HB3 SER A 25 -8.930 7.556 4.216 1.00 64.32 H new ATOM 0 HG SER A 25 -9.272 4.803 3.646 1.00 13.43 H new ATOM 120 N SER A 26 -11.204 7.822 6.740 1.00 43.44 N ATOM 121 CA SER A 26 -11.812 8.993 7.359 1.00 14.02 C ATOM 122 C SER A 26 -11.407 9.106 8.826 1.00 61.51 C ATOM 123 O SER A 26 -10.941 10.152 9.274 1.00 53.24 O ATOM 124 CB SER A 26 -13.337 8.921 7.245 1.00 52.24 C ATOM 125 OG SER A 26 -13.853 7.828 7.983 1.00 31.52 O ATOM 0 H SER A 26 -11.872 7.140 6.381 1.00 43.44 H new ATOM 0 HA SER A 26 -11.455 9.878 6.832 1.00 14.02 H new ATOM 0 HB2 SER A 26 -13.776 9.850 7.610 1.00 52.24 H new ATOM 0 HB3 SER A 26 -13.622 8.823 6.197 1.00 52.24 H new ATOM 0 HG SER A 26 -13.300 7.035 7.823 1.00 31.52 H new ATOM 131 N ASN A 27 -11.586 8.017 9.567 1.00 40.44 N ATOM 132 CA ASN A 27 -11.239 7.992 10.984 1.00 50.14 C ATOM 133 C ASN A 27 -9.727 8.053 11.174 1.00 14.23 C ATOM 134 O ASN A 27 -9.223 8.843 11.975 1.00 71.03 O ATOM 135 CB ASN A 27 -11.798 6.731 11.646 1.00 64.44 C ATOM 136 CG ASN A 27 -12.454 7.019 12.982 1.00 41.34 C ATOM 137 OD1 ASN A 27 -12.130 6.394 13.992 1.00 52.44 O ATOM 138 ND2 ASN A 27 -13.379 7.971 12.992 1.00 32.13 N ATOM 0 H ASN A 27 -11.969 7.141 9.211 1.00 40.44 H new ATOM 0 HA ASN A 27 -11.682 8.868 11.457 1.00 50.14 H new ATOM 0 HB2 ASN A 27 -12.526 6.267 10.980 1.00 64.44 H new ATOM 0 HB3 ASN A 27 -10.992 6.011 11.788 1.00 64.44 H new ATOM 0 HD21 ASN A 27 -13.854 8.211 13.862 1.00 32.13 H new ATOM 0 HD22 ASN A 27 -13.615 8.462 12.130 1.00 32.13 H new ATOM 145 N LEU A 28 -9.008 7.216 10.435 1.00 13.11 N ATOM 146 CA LEU A 28 -7.553 7.175 10.521 1.00 62.25 C ATOM 147 C LEU A 28 -6.949 8.535 10.192 1.00 43.14 C ATOM 148 O LEU A 28 -5.965 8.954 10.802 1.00 4.32 O ATOM 149 CB LEU A 28 -6.996 6.114 9.570 1.00 20.01 C ATOM 150 CG LEU A 28 -5.475 5.955 9.558 1.00 74.53 C ATOM 151 CD1 LEU A 28 -4.842 6.956 8.604 1.00 71.30 C ATOM 152 CD2 LEU A 28 -4.911 6.121 10.960 1.00 23.12 C ATOM 0 H LEU A 28 -9.409 6.556 9.769 1.00 13.11 H new ATOM 0 HA LEU A 28 -7.282 6.916 11.544 1.00 62.25 H new ATOM 0 HB2 LEU A 28 -7.440 5.153 9.830 1.00 20.01 H new ATOM 0 HB3 LEU A 28 -7.324 6.353 8.558 1.00 20.01 H new ATOM 0 HG LEU A 28 -5.236 4.950 9.209 1.00 74.53 H new ATOM 0 HD11 LEU A 28 -3.760 6.828 8.608 1.00 71.30 H new ATOM 0 HD12 LEU A 28 -5.223 6.789 7.596 1.00 71.30 H new ATOM 0 HD13 LEU A 28 -5.089 7.969 8.923 1.00 71.30 H new ATOM 0 HD21 LEU A 28 -3.828 6.005 10.932 1.00 23.12 H new ATOM 0 HD22 LEU A 28 -5.160 7.113 11.337 1.00 23.12 H new ATOM 0 HD23 LEU A 28 -5.341 5.365 11.617 1.00 23.12 H new ATOM 164 N LEU A 29 -7.545 9.223 9.224 1.00 45.54 N ATOM 165 CA LEU A 29 -7.067 10.540 8.814 1.00 14.34 C ATOM 166 C LEU A 29 -7.413 11.594 9.860 1.00 35.01 C ATOM 167 O LEU A 29 -6.709 12.593 10.006 1.00 21.53 O ATOM 168 CB LEU A 29 -7.673 10.927 7.464 1.00 35.11 C ATOM 169 CG LEU A 29 -7.178 12.241 6.858 1.00 13.43 C ATOM 170 CD1 LEU A 29 -6.119 11.975 5.800 1.00 55.44 C ATOM 171 CD2 LEU A 29 -8.340 13.026 6.268 1.00 74.34 C ATOM 0 H LEU A 29 -8.360 8.891 8.708 1.00 45.54 H new ATOM 0 HA LEU A 29 -5.982 10.492 8.718 1.00 14.34 H new ATOM 0 HB2 LEU A 29 -7.472 10.124 6.755 1.00 35.11 H new ATOM 0 HB3 LEU A 29 -8.755 10.988 7.578 1.00 35.11 H new ATOM 0 HG LEU A 29 -6.727 12.838 7.651 1.00 13.43 H new ATOM 0 HD11 LEU A 29 -5.779 12.921 5.380 1.00 55.44 H new ATOM 0 HD12 LEU A 29 -5.275 11.454 6.253 1.00 55.44 H new ATOM 0 HD13 LEU A 29 -6.543 11.358 5.008 1.00 55.44 H new ATOM 0 HD21 LEU A 29 -7.970 13.958 5.841 1.00 74.34 H new ATOM 0 HD22 LEU A 29 -8.820 12.435 5.488 1.00 74.34 H new ATOM 0 HD23 LEU A 29 -9.064 13.248 7.052 1.00 74.34 H new ATOM 183 N SER A 30 -8.502 11.365 10.588 1.00 20.34 N ATOM 184 CA SER A 30 -8.942 12.295 11.621 1.00 74.43 C ATOM 185 C SER A 30 -8.472 11.841 12.998 1.00 44.01 C ATOM 186 O SER A 30 -8.863 12.407 14.018 1.00 14.13 O ATOM 187 CB SER A 30 -10.467 12.421 11.606 1.00 2.44 C ATOM 188 OG SER A 30 -11.032 11.930 12.810 1.00 22.00 O ATOM 0 H SER A 30 -9.096 10.543 10.481 1.00 20.34 H new ATOM 0 HA SER A 30 -8.501 13.269 11.410 1.00 74.43 H new ATOM 0 HB2 SER A 30 -10.747 13.465 11.469 1.00 2.44 H new ATOM 0 HB3 SER A 30 -10.872 11.868 10.759 1.00 2.44 H new ATOM 0 HG SER A 30 -12.007 12.023 12.776 1.00 22.00 H new ATOM 194 N SER A 31 -7.629 10.813 13.020 1.00 71.14 N ATOM 195 CA SER A 31 -7.106 10.279 14.272 1.00 1.14 C ATOM 196 C SER A 31 -6.605 11.402 15.175 1.00 1.32 C ATOM 197 O SER A 31 -6.184 12.456 14.698 1.00 51.21 O ATOM 198 CB SER A 31 -5.974 9.288 13.995 1.00 45.23 C ATOM 199 OG SER A 31 -6.422 7.951 14.133 1.00 20.11 O ATOM 0 H SER A 31 -7.294 10.333 12.185 1.00 71.14 H new ATOM 0 HA SER A 31 -7.917 9.760 14.783 1.00 1.14 H new ATOM 0 HB2 SER A 31 -5.589 9.444 12.987 1.00 45.23 H new ATOM 0 HB3 SER A 31 -5.149 9.471 14.684 1.00 45.23 H new ATOM 0 HG SER A 31 -5.681 7.337 13.949 1.00 20.11 H new ATOM 205 N GLY A 32 -6.655 11.167 16.483 1.00 42.52 N ATOM 206 CA GLY A 32 -6.202 12.169 17.433 1.00 75.43 C ATOM 207 C GLY A 32 -4.777 12.613 17.174 1.00 20.22 C ATOM 208 O GLY A 32 -4.368 13.693 17.601 1.00 22.45 O ATOM 0 H GLY A 32 -7.000 10.303 16.902 1.00 42.52 H new ATOM 0 HA2 GLY A 32 -6.863 13.035 17.386 1.00 75.43 H new ATOM 0 HA3 GLY A 32 -6.276 11.766 18.443 1.00 75.43 H new ATOM 212 N ASP A 33 -4.017 11.777 16.472 1.00 2.53 N ATOM 213 CA ASP A 33 -2.628 12.090 16.158 1.00 73.31 C ATOM 214 C ASP A 33 -2.492 12.567 14.715 1.00 13.50 C ATOM 215 O ASP A 33 -1.618 13.375 14.398 1.00 10.53 O ATOM 216 CB ASP A 33 -1.743 10.862 16.386 1.00 75.02 C ATOM 217 CG ASP A 33 -0.747 11.069 17.511 1.00 50.32 C ATOM 218 OD1 ASP A 33 0.343 11.614 17.244 1.00 25.31 O ATOM 219 OD2 ASP A 33 -1.059 10.685 18.658 1.00 61.33 O ATOM 0 H ASP A 33 -4.340 10.879 16.111 1.00 2.53 H new ATOM 0 HA ASP A 33 -2.303 12.892 16.820 1.00 73.31 H new ATOM 0 HB2 ASP A 33 -2.372 10.002 16.615 1.00 75.02 H new ATOM 0 HB3 ASP A 33 -1.206 10.629 15.467 1.00 75.02 H new ATOM 224 N PHE A 34 -3.361 12.065 13.846 1.00 61.13 N ATOM 225 CA PHE A 34 -3.337 12.439 12.437 1.00 50.11 C ATOM 226 C PHE A 34 -3.767 13.891 12.253 1.00 44.21 C ATOM 227 O PHE A 34 -3.123 14.655 11.532 1.00 70.45 O ATOM 228 CB PHE A 34 -4.254 11.518 11.627 1.00 61.45 C ATOM 229 CG PHE A 34 -3.831 11.363 10.195 1.00 70.53 C ATOM 230 CD1 PHE A 34 -3.695 12.471 9.374 1.00 53.40 C ATOM 231 CD2 PHE A 34 -3.571 10.108 9.668 1.00 34.40 C ATOM 232 CE1 PHE A 34 -3.305 12.332 8.055 1.00 32.14 C ATOM 233 CE2 PHE A 34 -3.181 9.961 8.349 1.00 54.45 C ATOM 234 CZ PHE A 34 -3.050 11.074 7.542 1.00 51.43 C ATOM 0 H PHE A 34 -4.092 11.397 14.092 1.00 61.13 H new ATOM 0 HA PHE A 34 -2.314 12.332 12.076 1.00 50.11 H new ATOM 0 HB2 PHE A 34 -4.278 10.536 12.099 1.00 61.45 H new ATOM 0 HB3 PHE A 34 -5.270 11.912 11.657 1.00 61.45 H new ATOM 0 HD1 PHE A 34 -3.896 13.456 9.770 1.00 53.40 H new ATOM 0 HD2 PHE A 34 -3.674 9.234 10.295 1.00 34.40 H new ATOM 0 HE1 PHE A 34 -3.200 13.204 7.427 1.00 32.14 H new ATOM 0 HE2 PHE A 34 -2.979 8.977 7.951 1.00 54.45 H new ATOM 0 HZ PHE A 34 -2.749 10.962 6.511 1.00 51.43 H new ATOM 244 N VAL A 35 -4.859 14.268 12.911 1.00 63.11 N ATOM 245 CA VAL A 35 -5.375 15.629 12.820 1.00 2.14 C ATOM 246 C VAL A 35 -4.295 16.648 13.167 1.00 51.24 C ATOM 247 O VAL A 35 -4.247 17.735 12.589 1.00 22.13 O ATOM 248 CB VAL A 35 -6.581 15.835 13.757 1.00 63.41 C ATOM 249 CG1 VAL A 35 -7.821 15.167 13.184 1.00 25.00 C ATOM 250 CG2 VAL A 35 -6.272 15.302 15.147 1.00 24.10 C ATOM 0 H VAL A 35 -5.403 13.650 13.513 1.00 63.11 H new ATOM 0 HA VAL A 35 -5.696 15.780 11.789 1.00 2.14 H new ATOM 0 HB VAL A 35 -6.778 16.904 13.839 1.00 63.41 H new ATOM 0 HG11 VAL A 35 -8.663 15.323 13.859 1.00 25.00 H new ATOM 0 HG12 VAL A 35 -8.051 15.601 12.211 1.00 25.00 H new ATOM 0 HG13 VAL A 35 -7.639 14.098 13.071 1.00 25.00 H new ATOM 0 HG21 VAL A 35 -7.134 15.456 15.796 1.00 24.10 H new ATOM 0 HG22 VAL A 35 -6.048 14.237 15.087 1.00 24.10 H new ATOM 0 HG23 VAL A 35 -5.411 15.831 15.556 1.00 24.10 H new ATOM 260 N GLN A 36 -3.433 16.292 14.113 1.00 60.44 N ATOM 261 CA GLN A 36 -2.355 17.177 14.536 1.00 44.35 C ATOM 262 C GLN A 36 -1.389 17.448 13.386 1.00 73.14 C ATOM 263 O GLN A 36 -0.877 18.558 13.242 1.00 3.34 O ATOM 264 CB GLN A 36 -1.600 16.568 15.718 1.00 34.22 C ATOM 265 CG GLN A 36 -1.177 17.588 16.761 1.00 5.32 C ATOM 266 CD GLN A 36 -0.071 17.077 17.663 1.00 64.42 C ATOM 267 OE1 GLN A 36 -0.325 16.370 18.639 1.00 14.41 O ATOM 268 NE2 GLN A 36 1.169 17.431 17.340 1.00 14.14 N ATOM 0 H GLN A 36 -3.460 15.397 14.601 1.00 60.44 H new ATOM 0 HA GLN A 36 -2.798 18.124 14.846 1.00 44.35 H new ATOM 0 HB2 GLN A 36 -2.231 15.816 16.192 1.00 34.22 H new ATOM 0 HB3 GLN A 36 -0.714 16.053 15.346 1.00 34.22 H new ATOM 0 HG2 GLN A 36 -0.842 18.496 16.260 1.00 5.32 H new ATOM 0 HG3 GLN A 36 -2.040 17.859 17.369 1.00 5.32 H new ATOM 0 HE21 GLN A 36 1.335 18.018 16.523 1.00 14.14 H new ATOM 0 HE22 GLN A 36 1.954 17.115 17.909 1.00 14.14 H new ATOM 277 N MET A 37 -1.147 16.426 12.571 1.00 54.35 N ATOM 278 CA MET A 37 -0.244 16.556 11.434 1.00 74.45 C ATOM 279 C MET A 37 -0.864 17.425 10.343 1.00 73.34 C ATOM 280 O MET A 37 -0.248 18.385 9.878 1.00 42.14 O ATOM 281 CB MET A 37 0.100 15.176 10.868 1.00 75.32 C ATOM 282 CG MET A 37 1.524 15.069 10.351 1.00 64.51 C ATOM 283 SD MET A 37 1.600 14.570 8.620 1.00 45.54 S ATOM 284 CE MET A 37 1.346 16.144 7.803 1.00 74.13 C ATOM 0 H MET A 37 -1.563 15.501 12.677 1.00 54.35 H new ATOM 0 HA MET A 37 0.670 17.037 11.782 1.00 74.45 H new ATOM 0 HB2 MET A 37 -0.053 14.426 11.644 1.00 75.32 H new ATOM 0 HB3 MET A 37 -0.590 14.942 10.058 1.00 75.32 H new ATOM 0 HG2 MET A 37 2.023 16.031 10.470 1.00 64.51 H new ATOM 0 HG3 MET A 37 2.073 14.348 10.957 1.00 64.51 H new ATOM 0 HE1 MET A 37 1.949 16.185 6.896 1.00 74.13 H new ATOM 0 HE2 MET A 37 0.293 16.254 7.544 1.00 74.13 H new ATOM 0 HE3 MET A 37 1.641 16.953 8.471 1.00 74.13 H new ATOM 294 N ILE A 38 -2.083 17.083 9.941 1.00 30.40 N ATOM 295 CA ILE A 38 -2.785 17.833 8.906 1.00 41.24 C ATOM 296 C ILE A 38 -3.068 19.262 9.359 1.00 12.13 C ATOM 297 O ILE A 38 -3.077 20.190 8.551 1.00 24.22 O ATOM 298 CB ILE A 38 -4.114 17.156 8.523 1.00 5.13 C ATOM 299 CG1 ILE A 38 -3.883 15.679 8.198 1.00 11.01 C ATOM 300 CG2 ILE A 38 -4.750 17.871 7.342 1.00 75.22 C ATOM 301 CD1 ILE A 38 -5.158 14.912 7.929 1.00 12.32 C ATOM 0 H ILE A 38 -2.606 16.291 10.316 1.00 30.40 H new ATOM 0 HA ILE A 38 -2.132 17.853 8.033 1.00 41.24 H new ATOM 0 HB ILE A 38 -4.796 17.219 9.371 1.00 5.13 H new ATOM 0 HG12 ILE A 38 -3.233 15.605 7.326 1.00 11.01 H new ATOM 0 HG13 ILE A 38 -3.356 15.211 9.029 1.00 11.01 H new ATOM 0 HG21 ILE A 38 -5.689 17.381 7.083 1.00 75.22 H new ATOM 0 HG22 ILE A 38 -4.944 18.910 7.607 1.00 75.22 H new ATOM 0 HG23 ILE A 38 -4.074 17.835 6.488 1.00 75.22 H new ATOM 0 HD11 ILE A 38 -4.917 13.873 7.706 1.00 12.32 H new ATOM 0 HD12 ILE A 38 -5.801 14.955 8.808 1.00 12.32 H new ATOM 0 HD13 ILE A 38 -5.676 15.355 7.079 1.00 12.32 H new ATOM 313 N SER A 39 -3.297 19.430 10.658 1.00 51.22 N ATOM 314 CA SER A 39 -3.583 20.746 11.219 1.00 22.53 C ATOM 315 C SER A 39 -2.399 21.688 11.024 1.00 44.34 C ATOM 316 O SER A 39 -2.572 22.858 10.684 1.00 51.15 O ATOM 317 CB SER A 39 -3.915 20.627 12.708 1.00 23.52 C ATOM 318 OG SER A 39 -5.246 20.182 12.900 1.00 43.20 O ATOM 0 H SER A 39 -3.290 18.672 11.341 1.00 51.22 H new ATOM 0 HA SER A 39 -4.444 21.159 10.694 1.00 22.53 H new ATOM 0 HB2 SER A 39 -3.224 19.931 13.183 1.00 23.52 H new ATOM 0 HB3 SER A 39 -3.778 21.594 13.193 1.00 23.52 H new ATOM 0 HG SER A 39 -5.273 19.203 12.860 1.00 43.20 H new ATOM 324 N SER A 40 -1.194 21.169 11.241 1.00 31.13 N ATOM 325 CA SER A 40 0.019 21.963 11.093 1.00 62.13 C ATOM 326 C SER A 40 0.299 22.259 9.623 1.00 34.42 C ATOM 327 O SER A 40 0.976 23.232 9.290 1.00 73.44 O ATOM 328 CB SER A 40 1.211 21.233 11.714 1.00 21.15 C ATOM 329 OG SER A 40 2.416 21.949 11.499 1.00 0.43 O ATOM 0 H SER A 40 -1.033 20.201 11.520 1.00 31.13 H new ATOM 0 HA SER A 40 -0.130 22.909 11.614 1.00 62.13 H new ATOM 0 HB2 SER A 40 1.046 21.105 12.784 1.00 21.15 H new ATOM 0 HB3 SER A 40 1.295 20.235 11.283 1.00 21.15 H new ATOM 0 HG SER A 40 3.163 21.463 11.907 1.00 0.43 H new ATOM 335 N THR A 41 -0.228 21.412 8.744 1.00 32.23 N ATOM 336 CA THR A 41 -0.035 21.578 7.310 1.00 54.15 C ATOM 337 C THR A 41 -1.066 22.536 6.724 1.00 13.14 C ATOM 338 O THR A 41 -1.765 22.204 5.765 1.00 62.03 O ATOM 339 CB THR A 41 -0.125 20.231 6.569 1.00 5.14 C ATOM 340 OG1 THR A 41 0.639 19.238 7.264 1.00 50.53 O ATOM 341 CG2 THR A 41 0.385 20.362 5.142 1.00 3.43 C ATOM 0 H THR A 41 -0.793 20.603 9.002 1.00 32.23 H new ATOM 0 HA THR A 41 0.964 21.993 7.173 1.00 54.15 H new ATOM 0 HB THR A 41 -1.172 19.929 6.537 1.00 5.14 H new ATOM 0 HG1 THR A 41 0.188 19.005 8.102 1.00 50.53 H new ATOM 0 HG21 THR A 41 0.311 19.398 4.639 1.00 3.43 H new ATOM 0 HG22 THR A 41 -0.216 21.097 4.607 1.00 3.43 H new ATOM 0 HG23 THR A 41 1.426 20.685 5.156 1.00 3.43 H new ATOM 349 N THR A 42 -1.160 23.728 7.307 1.00 65.41 N ATOM 350 CA THR A 42 -2.107 24.734 6.844 1.00 65.33 C ATOM 351 C THR A 42 -1.941 24.998 5.350 1.00 22.35 C ATOM 352 O THR A 42 -2.891 25.387 4.671 1.00 43.34 O ATOM 353 CB THR A 42 -1.939 26.059 7.610 1.00 3.13 C ATOM 354 OG1 THR A 42 -0.576 26.216 8.025 1.00 11.03 O ATOM 355 CG2 THR A 42 -2.852 26.100 8.826 1.00 62.23 C ATOM 0 H THR A 42 -0.591 24.020 8.102 1.00 65.41 H new ATOM 0 HA THR A 42 -3.105 24.339 7.032 1.00 65.33 H new ATOM 0 HB THR A 42 -2.212 26.876 6.942 1.00 3.13 H new ATOM 0 HG1 THR A 42 -0.477 27.062 8.510 1.00 11.03 H new ATOM 0 HG21 THR A 42 -2.716 27.045 9.351 1.00 62.23 H new ATOM 0 HG22 THR A 42 -3.890 26.009 8.505 1.00 62.23 H new ATOM 0 HG23 THR A 42 -2.605 25.275 9.494 1.00 62.23 H new ATOM 363 N SER A 43 -0.729 24.783 4.848 1.00 54.04 N ATOM 364 CA SER A 43 -0.439 25.002 3.436 1.00 72.21 C ATOM 365 C SER A 43 -0.912 23.819 2.595 1.00 73.04 C ATOM 366 O SER A 43 -0.340 22.730 2.655 1.00 44.34 O ATOM 367 CB SER A 43 1.060 25.222 3.229 1.00 32.34 C ATOM 368 OG SER A 43 1.413 26.576 3.459 1.00 24.55 O ATOM 0 H SER A 43 0.067 24.458 5.397 1.00 54.04 H new ATOM 0 HA SER A 43 -0.977 25.894 3.114 1.00 72.21 H new ATOM 0 HB2 SER A 43 1.622 24.577 3.904 1.00 32.34 H new ATOM 0 HB3 SER A 43 1.336 24.938 2.213 1.00 32.34 H new ATOM 0 HG SER A 43 2.377 26.691 3.322 1.00 24.55 H new ATOM 374 N THR A 44 -1.961 24.040 1.809 1.00 44.30 N ATOM 375 CA THR A 44 -2.513 22.995 0.957 1.00 62.14 C ATOM 376 C THR A 44 -1.438 22.394 0.058 1.00 3.33 C ATOM 377 O THR A 44 -1.507 21.222 -0.310 1.00 1.45 O ATOM 378 CB THR A 44 -3.657 23.534 0.077 1.00 35.24 C ATOM 379 OG1 THR A 44 -4.095 24.807 0.567 1.00 64.30 O ATOM 380 CG2 THR A 44 -4.829 22.562 0.060 1.00 4.01 C ATOM 0 H THR A 44 -2.446 24.935 1.745 1.00 44.30 H new ATOM 0 HA THR A 44 -2.905 22.222 1.618 1.00 62.14 H new ATOM 0 HB THR A 44 -3.282 23.646 -0.940 1.00 35.24 H new ATOM 0 HG1 THR A 44 -3.496 25.509 0.236 1.00 64.30 H new ATOM 0 HG21 THR A 44 -5.625 22.963 -0.567 1.00 4.01 H new ATOM 0 HG22 THR A 44 -4.500 21.603 -0.340 1.00 4.01 H new ATOM 0 HG23 THR A 44 -5.202 22.424 1.075 1.00 4.01 H new ATOM 388 N ASP A 45 -0.443 23.204 -0.289 1.00 11.02 N ATOM 389 CA ASP A 45 0.649 22.751 -1.143 1.00 33.45 C ATOM 390 C ASP A 45 1.336 21.527 -0.543 1.00 33.00 C ATOM 391 O ASP A 45 1.552 20.528 -1.229 1.00 41.42 O ATOM 392 CB ASP A 45 1.666 23.874 -1.346 1.00 1.22 C ATOM 393 CG ASP A 45 2.232 23.896 -2.752 1.00 23.32 C ATOM 394 OD1 ASP A 45 1.435 23.921 -3.713 1.00 61.10 O ATOM 395 OD2 ASP A 45 3.474 23.887 -2.892 1.00 33.22 O ATOM 0 H ASP A 45 -0.370 24.177 0.008 1.00 11.02 H new ATOM 0 HA ASP A 45 0.230 22.473 -2.110 1.00 33.45 H new ATOM 0 HB2 ASP A 45 1.192 24.832 -1.133 1.00 1.22 H new ATOM 0 HB3 ASP A 45 2.481 23.756 -0.631 1.00 1.22 H new ATOM 400 N GLN A 46 1.674 21.616 0.739 1.00 21.52 N ATOM 401 CA GLN A 46 2.339 20.516 1.429 1.00 70.31 C ATOM 402 C GLN A 46 1.370 19.365 1.679 1.00 33.13 C ATOM 403 O GLN A 46 1.784 18.247 1.983 1.00 73.02 O ATOM 404 CB GLN A 46 2.926 21.000 2.756 1.00 63.35 C ATOM 405 CG GLN A 46 4.298 21.643 2.615 1.00 13.00 C ATOM 406 CD GLN A 46 5.428 20.647 2.782 1.00 1.30 C ATOM 407 OE1 GLN A 46 5.200 19.442 2.881 1.00 42.53 O ATOM 408 NE2 GLN A 46 6.658 21.149 2.812 1.00 14.53 N ATOM 0 H GLN A 46 1.499 22.436 1.320 1.00 21.52 H new ATOM 0 HA GLN A 46 3.146 20.156 0.792 1.00 70.31 H new ATOM 0 HB2 GLN A 46 2.241 21.719 3.206 1.00 63.35 H new ATOM 0 HB3 GLN A 46 2.998 20.156 3.442 1.00 63.35 H new ATOM 0 HG2 GLN A 46 4.376 22.114 1.635 1.00 13.00 H new ATOM 0 HG3 GLN A 46 4.403 22.434 3.358 1.00 13.00 H new ATOM 0 HE21 GLN A 46 6.800 22.155 2.726 1.00 14.53 H new ATOM 0 HE22 GLN A 46 7.460 20.528 2.921 1.00 14.53 H new ATOM 417 N ALA A 47 0.078 19.648 1.549 1.00 63.22 N ATOM 418 CA ALA A 47 -0.950 18.636 1.759 1.00 73.21 C ATOM 419 C ALA A 47 -0.797 17.484 0.771 1.00 53.51 C ATOM 420 O ALA A 47 -1.111 16.336 1.087 1.00 10.11 O ATOM 421 CB ALA A 47 -2.335 19.257 1.638 1.00 4.53 C ATOM 0 H ALA A 47 -0.282 20.569 1.299 1.00 63.22 H new ATOM 0 HA ALA A 47 -0.830 18.235 2.766 1.00 73.21 H new ATOM 0 HB1 ALA A 47 -3.093 18.490 1.797 1.00 4.53 H new ATOM 0 HB2 ALA A 47 -2.449 20.041 2.387 1.00 4.53 H new ATOM 0 HB3 ALA A 47 -2.456 19.686 0.643 1.00 4.53 H new ATOM 427 N VAL A 48 -0.313 17.799 -0.427 1.00 35.41 N ATOM 428 CA VAL A 48 -0.119 16.789 -1.461 1.00 50.24 C ATOM 429 C VAL A 48 0.923 15.761 -1.035 1.00 63.33 C ATOM 430 O VAL A 48 0.822 14.583 -1.376 1.00 4.31 O ATOM 431 CB VAL A 48 0.319 17.428 -2.792 1.00 71.41 C ATOM 432 CG1 VAL A 48 -0.686 18.478 -3.237 1.00 12.11 C ATOM 433 CG2 VAL A 48 1.709 18.032 -2.662 1.00 22.34 C ATOM 0 H VAL A 48 -0.049 18.744 -0.705 1.00 35.41 H new ATOM 0 HA VAL A 48 -1.078 16.291 -1.604 1.00 50.24 H new ATOM 0 HB VAL A 48 0.356 16.649 -3.553 1.00 71.41 H new ATOM 0 HG11 VAL A 48 -0.359 18.918 -4.179 1.00 12.11 H new ATOM 0 HG12 VAL A 48 -1.662 18.013 -3.373 1.00 12.11 H new ATOM 0 HG13 VAL A 48 -0.758 19.257 -2.478 1.00 12.11 H new ATOM 0 HG21 VAL A 48 2.002 18.479 -3.612 1.00 22.34 H new ATOM 0 HG22 VAL A 48 1.702 18.799 -1.887 1.00 22.34 H new ATOM 0 HG23 VAL A 48 2.421 17.252 -2.393 1.00 22.34 H new ATOM 443 N SER A 49 1.926 16.216 -0.291 1.00 51.31 N ATOM 444 CA SER A 49 2.990 15.336 0.179 1.00 72.32 C ATOM 445 C SER A 49 2.459 14.345 1.210 1.00 23.24 C ATOM 446 O SER A 49 2.698 13.140 1.111 1.00 54.44 O ATOM 447 CB SER A 49 4.130 16.158 0.784 1.00 12.15 C ATOM 448 OG SER A 49 5.249 16.193 -0.084 1.00 52.14 O ATOM 0 H SER A 49 2.024 17.189 -0.001 1.00 51.31 H new ATOM 0 HA SER A 49 3.369 14.776 -0.676 1.00 72.32 H new ATOM 0 HB2 SER A 49 3.786 17.174 0.980 1.00 12.15 H new ATOM 0 HB3 SER A 49 4.423 15.730 1.743 1.00 12.15 H new ATOM 0 HG SER A 49 5.963 16.726 0.324 1.00 52.14 H new ATOM 454 N VAL A 50 1.737 14.859 2.201 1.00 40.13 N ATOM 455 CA VAL A 50 1.171 14.021 3.250 1.00 24.14 C ATOM 456 C VAL A 50 0.078 13.113 2.698 1.00 30.34 C ATOM 457 O VAL A 50 -0.045 11.956 3.101 1.00 74.42 O ATOM 458 CB VAL A 50 0.589 14.870 4.395 1.00 14.53 C ATOM 459 CG1 VAL A 50 -0.453 15.843 3.861 1.00 2.12 C ATOM 460 CG2 VAL A 50 -0.007 13.976 5.472 1.00 3.34 C ATOM 0 H VAL A 50 1.531 15.853 2.299 1.00 40.13 H new ATOM 0 HA VAL A 50 1.985 13.409 3.640 1.00 24.14 H new ATOM 0 HB VAL A 50 1.397 15.449 4.842 1.00 14.53 H new ATOM 0 HG11 VAL A 50 -0.854 16.435 4.684 1.00 2.12 H new ATOM 0 HG12 VAL A 50 0.009 16.505 3.129 1.00 2.12 H new ATOM 0 HG13 VAL A 50 -1.262 15.286 3.387 1.00 2.12 H new ATOM 0 HG21 VAL A 50 -0.414 14.593 6.273 1.00 3.34 H new ATOM 0 HG22 VAL A 50 -0.804 13.369 5.041 1.00 3.34 H new ATOM 0 HG23 VAL A 50 0.769 13.324 5.874 1.00 3.34 H new ATOM 470 N ALA A 51 -0.715 13.644 1.774 1.00 40.22 N ATOM 471 CA ALA A 51 -1.796 12.882 1.164 1.00 13.42 C ATOM 472 C ALA A 51 -1.264 11.639 0.461 1.00 13.04 C ATOM 473 O ALA A 51 -1.884 10.575 0.502 1.00 60.11 O ATOM 474 CB ALA A 51 -2.571 13.753 0.186 1.00 42.22 C ATOM 0 H ALA A 51 -0.629 14.601 1.431 1.00 40.22 H new ATOM 0 HA ALA A 51 -2.470 12.558 1.957 1.00 13.42 H new ATOM 0 HB1 ALA A 51 -3.376 13.170 -0.262 1.00 42.22 H new ATOM 0 HB2 ALA A 51 -2.993 14.607 0.715 1.00 42.22 H new ATOM 0 HB3 ALA A 51 -1.900 14.107 -0.597 1.00 42.22 H new ATOM 480 N THR A 52 -0.110 11.779 -0.186 1.00 33.11 N ATOM 481 CA THR A 52 0.505 10.667 -0.901 1.00 3.42 C ATOM 482 C THR A 52 1.156 9.685 0.067 1.00 2.23 C ATOM 483 O THR A 52 1.292 8.500 -0.234 1.00 35.24 O ATOM 484 CB THR A 52 1.565 11.161 -1.902 1.00 13.13 C ATOM 485 OG1 THR A 52 2.624 11.826 -1.207 1.00 45.23 O ATOM 486 CG2 THR A 52 0.947 12.109 -2.920 1.00 21.32 C ATOM 0 H THR A 52 0.417 12.651 -0.229 1.00 33.11 H new ATOM 0 HA THR A 52 -0.292 10.162 -1.447 1.00 3.42 H new ATOM 0 HB THR A 52 1.965 10.295 -2.430 1.00 13.13 H new ATOM 0 HG1 THR A 52 2.296 12.149 -0.342 1.00 45.23 H new ATOM 0 HG21 THR A 52 1.715 12.445 -3.617 1.00 21.32 H new ATOM 0 HG22 THR A 52 0.160 11.591 -3.469 1.00 21.32 H new ATOM 0 HG23 THR A 52 0.523 12.970 -2.404 1.00 21.32 H new ATOM 494 N SER A 53 1.558 10.187 1.231 1.00 72.34 N ATOM 495 CA SER A 53 2.199 9.354 2.242 1.00 32.14 C ATOM 496 C SER A 53 1.301 8.181 2.628 1.00 63.05 C ATOM 497 O SER A 53 1.746 7.035 2.675 1.00 1.12 O ATOM 498 CB SER A 53 2.531 10.185 3.482 1.00 42.13 C ATOM 499 OG SER A 53 1.742 9.788 4.591 1.00 75.34 O ATOM 0 H SER A 53 1.451 11.166 1.497 1.00 72.34 H new ATOM 0 HA SER A 53 3.123 8.959 1.820 1.00 32.14 H new ATOM 0 HB2 SER A 53 3.588 10.074 3.726 1.00 42.13 H new ATOM 0 HB3 SER A 53 2.362 11.241 3.271 1.00 42.13 H new ATOM 0 HG SER A 53 2.240 9.946 5.420 1.00 75.34 H new ATOM 505 N VAL A 54 0.035 8.478 2.902 1.00 22.22 N ATOM 506 CA VAL A 54 -0.926 7.450 3.283 1.00 52.14 C ATOM 507 C VAL A 54 -1.269 6.554 2.099 1.00 34.34 C ATOM 508 O VAL A 54 -1.523 5.361 2.263 1.00 35.34 O ATOM 509 CB VAL A 54 -2.223 8.071 3.835 1.00 62.52 C ATOM 510 CG1 VAL A 54 -1.905 9.131 4.879 1.00 24.24 C ATOM 511 CG2 VAL A 54 -3.055 8.658 2.706 1.00 75.54 C ATOM 0 H VAL A 54 -0.349 9.422 2.867 1.00 22.22 H new ATOM 0 HA VAL A 54 -0.457 6.852 4.064 1.00 52.14 H new ATOM 0 HB VAL A 54 -2.806 7.285 4.315 1.00 62.52 H new ATOM 0 HG11 VAL A 54 -2.833 9.559 5.258 1.00 24.24 H new ATOM 0 HG12 VAL A 54 -1.352 8.677 5.702 1.00 24.24 H new ATOM 0 HG13 VAL A 54 -1.301 9.918 4.427 1.00 24.24 H new ATOM 0 HG21 VAL A 54 -3.968 9.092 3.114 1.00 75.54 H new ATOM 0 HG22 VAL A 54 -2.482 9.432 2.196 1.00 75.54 H new ATOM 0 HG23 VAL A 54 -3.313 7.871 1.997 1.00 75.54 H new ATOM 521 N ALA A 55 -1.274 7.136 0.904 1.00 72.35 N ATOM 522 CA ALA A 55 -1.582 6.390 -0.309 1.00 32.31 C ATOM 523 C ALA A 55 -0.513 5.344 -0.598 1.00 65.35 C ATOM 524 O ALA A 55 -0.820 4.225 -1.008 1.00 23.11 O ATOM 525 CB ALA A 55 -1.730 7.338 -1.490 1.00 13.43 C ATOM 0 H ALA A 55 -1.068 8.123 0.751 1.00 72.35 H new ATOM 0 HA ALA A 55 -2.528 5.870 -0.154 1.00 32.31 H new ATOM 0 HB1 ALA A 55 -1.960 6.766 -2.389 1.00 13.43 H new ATOM 0 HB2 ALA A 55 -2.537 8.043 -1.292 1.00 13.43 H new ATOM 0 HB3 ALA A 55 -0.799 7.885 -1.636 1.00 13.43 H new ATOM 531 N GLN A 56 0.746 5.716 -0.383 1.00 33.51 N ATOM 532 CA GLN A 56 1.862 4.810 -0.623 1.00 50.12 C ATOM 533 C GLN A 56 1.747 3.563 0.248 1.00 71.50 C ATOM 534 O GLN A 56 2.046 2.454 -0.196 1.00 2.33 O ATOM 535 CB GLN A 56 3.189 5.518 -0.347 1.00 71.34 C ATOM 536 CG GLN A 56 4.389 4.829 -0.980 1.00 2.44 C ATOM 537 CD GLN A 56 5.412 4.380 0.045 1.00 33.13 C ATOM 538 OE1 GLN A 56 5.082 3.679 1.003 1.00 50.23 O ATOM 539 NE2 GLN A 56 6.662 4.781 -0.150 1.00 52.53 N ATOM 0 H GLN A 56 1.017 6.639 -0.043 1.00 33.51 H new ATOM 0 HA GLN A 56 1.832 4.505 -1.669 1.00 50.12 H new ATOM 0 HB2 GLN A 56 3.130 6.541 -0.719 1.00 71.34 H new ATOM 0 HB3 GLN A 56 3.342 5.579 0.731 1.00 71.34 H new ATOM 0 HG2 GLN A 56 4.048 3.965 -1.550 1.00 2.44 H new ATOM 0 HG3 GLN A 56 4.863 5.510 -1.687 1.00 2.44 H new ATOM 0 HE21 GLN A 56 6.892 5.361 -0.957 1.00 52.53 H new ATOM 0 HE22 GLN A 56 7.393 4.509 0.507 1.00 52.53 H new ATOM 548 N ASN A 57 1.311 3.752 1.489 1.00 33.01 N ATOM 549 CA ASN A 57 1.158 2.642 2.423 1.00 65.03 C ATOM 550 C ASN A 57 0.112 1.650 1.922 1.00 51.03 C ATOM 551 O ASN A 57 0.326 0.438 1.948 1.00 44.42 O ATOM 552 CB ASN A 57 0.762 3.163 3.806 1.00 74.45 C ATOM 553 CG ASN A 57 1.635 4.317 4.261 1.00 51.20 C ATOM 554 OD1 ASN A 57 1.136 5.347 4.714 1.00 34.24 O ATOM 555 ND2 ASN A 57 2.946 4.148 4.141 1.00 42.22 N ATOM 0 H ASN A 57 1.057 4.663 1.871 1.00 33.01 H new ATOM 0 HA ASN A 57 2.116 2.127 2.497 1.00 65.03 H new ATOM 0 HB2 ASN A 57 -0.279 3.485 3.786 1.00 74.45 H new ATOM 0 HB3 ASN A 57 0.831 2.351 4.530 1.00 74.45 H new ATOM 0 HD21 ASN A 57 3.584 4.889 4.430 1.00 42.22 H new ATOM 0 HD22 ASN A 57 3.315 3.277 3.760 1.00 42.22 H new ATOM 562 N VAL A 58 -1.022 2.174 1.464 1.00 3.32 N ATOM 563 CA VAL A 58 -2.101 1.336 0.956 1.00 43.12 C ATOM 564 C VAL A 58 -1.681 0.616 -0.320 1.00 72.44 C ATOM 565 O VAL A 58 -1.899 -0.585 -0.468 1.00 0.41 O ATOM 566 CB VAL A 58 -3.368 2.164 0.673 1.00 0.11 C ATOM 567 CG1 VAL A 58 -4.489 1.269 0.169 1.00 72.31 C ATOM 568 CG2 VAL A 58 -3.799 2.922 1.921 1.00 33.32 C ATOM 0 H VAL A 58 -1.216 3.175 1.435 1.00 3.32 H new ATOM 0 HA VAL A 58 -2.323 0.600 1.729 1.00 43.12 H new ATOM 0 HB VAL A 58 -3.139 2.892 -0.105 1.00 0.11 H new ATOM 0 HG11 VAL A 58 -5.376 1.872 -0.026 1.00 72.31 H new ATOM 0 HG12 VAL A 58 -4.176 0.777 -0.752 1.00 72.31 H new ATOM 0 HG13 VAL A 58 -4.720 0.516 0.922 1.00 72.31 H new ATOM 0 HG21 VAL A 58 -4.696 3.502 1.703 1.00 33.32 H new ATOM 0 HG22 VAL A 58 -4.011 2.214 2.722 1.00 33.32 H new ATOM 0 HG23 VAL A 58 -2.999 3.594 2.233 1.00 33.32 H new ATOM 578 N GLY A 59 -1.077 1.360 -1.242 1.00 72.14 N ATOM 579 CA GLY A 59 -0.637 0.776 -2.495 1.00 32.22 C ATOM 580 C GLY A 59 0.486 -0.225 -2.305 1.00 35.11 C ATOM 581 O GLY A 59 0.582 -1.206 -3.041 1.00 53.32 O ATOM 0 H GLY A 59 -0.885 2.357 -1.143 1.00 72.14 H new ATOM 0 HA2 GLY A 59 -1.481 0.284 -2.979 1.00 32.22 H new ATOM 0 HA3 GLY A 59 -0.304 1.569 -3.165 1.00 32.22 H new ATOM 585 N ASN A 60 1.337 0.024 -1.316 1.00 44.13 N ATOM 586 CA ASN A 60 2.460 -0.862 -1.033 1.00 62.15 C ATOM 587 C ASN A 60 1.972 -2.214 -0.524 1.00 12.22 C ATOM 588 O ASN A 60 2.437 -3.262 -0.972 1.00 54.25 O ATOM 589 CB ASN A 60 3.393 -0.223 -0.002 1.00 62.34 C ATOM 590 CG ASN A 60 4.443 -1.192 0.508 1.00 73.33 C ATOM 591 OD1 ASN A 60 4.394 -1.489 1.800 1.00 54.35 O flip ATOM 592 ND2 ASN A 60 5.286 -1.668 -0.253 1.00 24.23 N flip ATOM 0 H ASN A 60 1.271 0.832 -0.697 1.00 44.13 H new ATOM 0 HA ASN A 60 3.008 -1.020 -1.962 1.00 62.15 H new ATOM 0 HB2 ASN A 60 3.886 0.641 -0.448 1.00 62.34 H new ATOM 0 HB3 ASN A 60 2.804 0.145 0.838 1.00 62.34 H new ATOM 0 HD21 ASN A 60 5.285 -1.411 -1.240 1.00 24.23 H new ATOM 0 HD22 ASN A 60 5.985 -2.320 0.104 1.00 24.23 H new ATOM 599 N GLN A 61 1.031 -2.182 0.414 1.00 1.22 N ATOM 600 CA GLN A 61 0.479 -3.405 0.985 1.00 65.32 C ATOM 601 C GLN A 61 -0.385 -4.139 -0.035 1.00 23.11 C ATOM 602 O GLN A 61 -0.322 -5.364 -0.151 1.00 50.13 O ATOM 603 CB GLN A 61 -0.344 -3.085 2.234 1.00 71.13 C ATOM 604 CG GLN A 61 0.465 -2.441 3.347 1.00 10.22 C ATOM 605 CD GLN A 61 1.563 -3.346 3.869 1.00 34.35 C ATOM 606 OE1 GLN A 61 1.212 -4.591 4.170 1.00 54.45 O flip ATOM 607 NE2 GLN A 61 2.715 -2.933 4.004 1.00 54.01 N flip ATOM 0 H GLN A 61 0.635 -1.323 0.795 1.00 1.22 H new ATOM 0 HA GLN A 61 1.310 -4.053 1.264 1.00 65.32 H new ATOM 0 HB2 GLN A 61 -1.162 -2.419 1.959 1.00 71.13 H new ATOM 0 HB3 GLN A 61 -0.793 -4.005 2.608 1.00 71.13 H new ATOM 0 HG2 GLN A 61 0.907 -1.514 2.980 1.00 10.22 H new ATOM 0 HG3 GLN A 61 -0.201 -2.174 4.167 1.00 10.22 H new ATOM 0 HE21 GLN A 61 2.943 -1.969 3.761 1.00 54.01 H new ATOM 0 HE22 GLN A 61 3.441 -3.555 4.359 1.00 54.01 H new ATOM 616 N LEU A 62 -1.193 -3.383 -0.771 1.00 54.12 N ATOM 617 CA LEU A 62 -2.071 -3.962 -1.781 1.00 71.33 C ATOM 618 C LEU A 62 -1.270 -4.445 -2.988 1.00 10.44 C ATOM 619 O LEU A 62 -1.712 -5.325 -3.726 1.00 25.23 O ATOM 620 CB LEU A 62 -3.115 -2.936 -2.225 1.00 61.45 C ATOM 621 CG LEU A 62 -4.424 -2.926 -1.437 1.00 30.24 C ATOM 622 CD1 LEU A 62 -5.202 -4.212 -1.675 1.00 53.34 C ATOM 623 CD2 LEU A 62 -4.150 -2.735 0.049 1.00 74.45 C ATOM 0 H LEU A 62 -1.258 -2.369 -0.687 1.00 54.12 H new ATOM 0 HA LEU A 62 -2.578 -4.819 -1.338 1.00 71.33 H new ATOM 0 HB2 LEU A 62 -2.669 -1.943 -2.162 1.00 61.45 H new ATOM 0 HB3 LEU A 62 -3.348 -3.115 -3.275 1.00 61.45 H new ATOM 0 HG LEU A 62 -5.029 -2.090 -1.787 1.00 30.24 H new ATOM 0 HD11 LEU A 62 -6.131 -4.186 -1.105 1.00 53.34 H new ATOM 0 HD12 LEU A 62 -5.430 -4.308 -2.737 1.00 53.34 H new ATOM 0 HD13 LEU A 62 -4.603 -5.064 -1.354 1.00 53.34 H new ATOM 0 HD21 LEU A 62 -5.093 -2.730 0.595 1.00 74.45 H new ATOM 0 HD22 LEU A 62 -3.525 -3.551 0.412 1.00 74.45 H new ATOM 0 HD23 LEU A 62 -3.636 -1.787 0.205 1.00 74.45 H new ATOM 635 N GLY A 63 -0.091 -3.863 -3.180 1.00 20.41 N ATOM 636 CA GLY A 63 0.753 -4.248 -4.296 1.00 30.35 C ATOM 637 C GLY A 63 0.018 -4.207 -5.621 1.00 2.31 C ATOM 638 O GLY A 63 -0.417 -5.239 -6.131 1.00 71.02 O ATOM 0 H GLY A 63 0.295 -3.132 -2.583 1.00 20.41 H new ATOM 0 HA2 GLY A 63 1.615 -3.583 -4.342 1.00 30.35 H new ATOM 0 HA3 GLY A 63 1.136 -5.255 -4.128 1.00 30.35 H new ATOM 642 N LEU A 64 -0.124 -3.009 -6.178 1.00 0.12 N ATOM 643 CA LEU A 64 -0.815 -2.835 -7.451 1.00 45.44 C ATOM 644 C LEU A 64 0.100 -2.177 -8.480 1.00 2.22 C ATOM 645 O LEU A 64 -0.284 -1.211 -9.139 1.00 71.45 O ATOM 646 CB LEU A 64 -2.074 -1.991 -7.260 1.00 14.22 C ATOM 647 CG LEU A 64 -2.856 -2.234 -5.967 1.00 71.11 C ATOM 648 CD1 LEU A 64 -2.382 -1.293 -4.872 1.00 1.52 C ATOM 649 CD2 LEU A 64 -4.350 -2.068 -6.208 1.00 52.22 C ATOM 0 H LEU A 64 0.230 -2.144 -5.768 1.00 0.12 H new ATOM 0 HA LEU A 64 -1.099 -3.821 -7.820 1.00 45.44 H new ATOM 0 HB2 LEU A 64 -1.791 -0.939 -7.298 1.00 14.22 H new ATOM 0 HB3 LEU A 64 -2.740 -2.172 -8.103 1.00 14.22 H new ATOM 0 HG LEU A 64 -2.673 -3.258 -5.641 1.00 71.11 H new ATOM 0 HD11 LEU A 64 -2.949 -1.480 -3.960 1.00 1.52 H new ATOM 0 HD12 LEU A 64 -1.322 -1.462 -4.681 1.00 1.52 H new ATOM 0 HD13 LEU A 64 -2.534 -0.261 -5.188 1.00 1.52 H new ATOM 0 HD21 LEU A 64 -4.890 -2.244 -5.278 1.00 52.22 H new ATOM 0 HD22 LEU A 64 -4.552 -1.056 -6.558 1.00 52.22 H new ATOM 0 HD23 LEU A 64 -4.679 -2.785 -6.960 1.00 52.22 H new ATOM 661 N ASP A 65 1.309 -2.709 -8.613 1.00 63.23 N ATOM 662 CA ASP A 65 2.278 -2.178 -9.566 1.00 45.23 C ATOM 663 C ASP A 65 2.729 -0.778 -9.158 1.00 15.03 C ATOM 664 O ASP A 65 1.916 0.054 -8.755 1.00 52.13 O ATOM 665 CB ASP A 65 1.678 -2.143 -10.972 1.00 53.00 C ATOM 666 CG ASP A 65 2.517 -2.906 -11.978 1.00 31.04 C ATOM 667 OD1 ASP A 65 3.010 -4.000 -11.633 1.00 63.21 O ATOM 668 OD2 ASP A 65 2.679 -2.409 -13.113 1.00 11.20 O ATOM 0 H ASP A 65 1.643 -3.508 -8.073 1.00 63.23 H new ATOM 0 HA ASP A 65 3.147 -2.836 -9.567 1.00 45.23 H new ATOM 0 HB2 ASP A 65 0.674 -2.566 -10.946 1.00 53.00 H new ATOM 0 HB3 ASP A 65 1.580 -1.107 -11.296 1.00 53.00 H new ATOM 673 N ALA A 66 4.029 -0.527 -9.263 1.00 42.50 N ATOM 674 CA ALA A 66 4.588 0.772 -8.906 1.00 11.22 C ATOM 675 C ALA A 66 4.049 1.870 -9.815 1.00 45.23 C ATOM 676 O ALA A 66 3.864 3.009 -9.388 1.00 33.12 O ATOM 677 CB ALA A 66 6.107 0.728 -8.969 1.00 54.33 C ATOM 0 H ALA A 66 4.716 -1.206 -9.592 1.00 42.50 H new ATOM 0 HA ALA A 66 4.285 1.002 -7.885 1.00 11.22 H new ATOM 0 HB1 ALA A 66 6.511 1.704 -8.700 1.00 54.33 H new ATOM 0 HB2 ALA A 66 6.478 -0.023 -8.272 1.00 54.33 H new ATOM 0 HB3 ALA A 66 6.422 0.471 -9.980 1.00 54.33 H new ATOM 683 N ASN A 67 3.799 1.521 -11.073 1.00 71.31 N ATOM 684 CA ASN A 67 3.283 2.479 -12.044 1.00 2.11 C ATOM 685 C ASN A 67 1.921 3.011 -11.612 1.00 52.13 C ATOM 686 O ASN A 67 1.653 4.209 -11.701 1.00 23.23 O ATOM 687 CB ASN A 67 3.174 1.828 -13.425 1.00 44.11 C ATOM 688 CG ASN A 67 3.698 2.725 -14.530 1.00 22.22 C ATOM 689 OD1 ASN A 67 3.242 3.857 -14.694 1.00 20.13 O ATOM 690 ND2 ASN A 67 4.660 2.222 -15.295 1.00 50.32 N ATOM 0 H ASN A 67 3.945 0.582 -11.444 1.00 71.31 H new ATOM 0 HA ASN A 67 3.980 3.316 -12.098 1.00 2.11 H new ATOM 0 HB2 ASN A 67 3.731 0.891 -13.427 1.00 44.11 H new ATOM 0 HB3 ASN A 67 2.132 1.580 -13.626 1.00 44.11 H new ATOM 0 HD21 ASN A 67 5.051 2.779 -16.055 1.00 50.32 H new ATOM 0 HD22 ASN A 67 5.008 1.279 -15.123 1.00 50.32 H new ATOM 697 N ALA A 68 1.061 2.112 -11.143 1.00 3.42 N ATOM 698 CA ALA A 68 -0.272 2.491 -10.693 1.00 23.30 C ATOM 699 C ALA A 68 -0.204 3.364 -9.446 1.00 2.41 C ATOM 700 O ALA A 68 -0.967 4.318 -9.303 1.00 0.32 O ATOM 701 CB ALA A 68 -1.112 1.250 -10.425 1.00 62.35 C ATOM 0 H ALA A 68 1.265 1.116 -11.065 1.00 3.42 H new ATOM 0 HA ALA A 68 -0.743 3.072 -11.486 1.00 23.30 H new ATOM 0 HB1 ALA A 68 -2.105 1.548 -10.090 1.00 62.35 H new ATOM 0 HB2 ALA A 68 -1.199 0.665 -11.340 1.00 62.35 H new ATOM 0 HB3 ALA A 68 -0.634 0.647 -9.653 1.00 62.35 H new ATOM 707 N MET A 69 0.716 3.031 -8.545 1.00 75.22 N ATOM 708 CA MET A 69 0.884 3.786 -7.310 1.00 2.55 C ATOM 709 C MET A 69 1.161 5.257 -7.604 1.00 12.54 C ATOM 710 O MET A 69 0.681 6.142 -6.898 1.00 3.32 O ATOM 711 CB MET A 69 2.024 3.197 -6.477 1.00 2.22 C ATOM 712 CG MET A 69 1.573 2.118 -5.505 1.00 50.11 C ATOM 713 SD MET A 69 2.553 0.610 -5.638 1.00 15.41 S ATOM 714 CE MET A 69 4.162 1.205 -5.127 1.00 55.11 C ATOM 0 H MET A 69 1.356 2.243 -8.648 1.00 75.22 H new ATOM 0 HA MET A 69 -0.044 3.716 -6.743 1.00 2.55 H new ATOM 0 HB2 MET A 69 2.775 2.779 -7.148 1.00 2.22 H new ATOM 0 HB3 MET A 69 2.507 3.999 -5.918 1.00 2.22 H new ATOM 0 HG2 MET A 69 1.639 2.501 -4.487 1.00 50.11 H new ATOM 0 HG3 MET A 69 0.525 1.883 -5.690 1.00 50.11 H new ATOM 0 HE1 MET A 69 4.876 0.381 -5.140 1.00 55.11 H new ATOM 0 HE2 MET A 69 4.496 1.985 -5.812 1.00 55.11 H new ATOM 0 HE3 MET A 69 4.096 1.612 -4.118 1.00 55.11 H new ATOM 724 N ASN A 70 1.940 5.509 -8.652 1.00 14.31 N ATOM 725 CA ASN A 70 2.280 6.873 -9.040 1.00 3.11 C ATOM 726 C ASN A 70 1.025 7.679 -9.356 1.00 51.00 C ATOM 727 O ASN A 70 0.886 8.825 -8.927 1.00 32.53 O ATOM 728 CB ASN A 70 3.212 6.862 -10.252 1.00 41.32 C ATOM 729 CG ASN A 70 4.012 8.145 -10.378 1.00 21.30 C ATOM 730 OD1 ASN A 70 3.560 9.114 -10.987 1.00 34.20 O ATOM 731 ND2 ASN A 70 5.210 8.155 -9.803 1.00 13.15 N ATOM 0 H ASN A 70 2.347 4.787 -9.247 1.00 14.31 H new ATOM 0 HA ASN A 70 2.791 7.346 -8.201 1.00 3.11 H new ATOM 0 HB2 ASN A 70 3.896 6.017 -10.173 1.00 41.32 H new ATOM 0 HB3 ASN A 70 2.624 6.713 -11.158 1.00 41.32 H new ATOM 0 HD21 ASN A 70 5.795 8.989 -9.857 1.00 13.15 H new ATOM 0 HD22 ASN A 70 5.545 7.329 -9.308 1.00 13.15 H new ATOM 738 N SER A 71 0.112 7.074 -10.109 1.00 61.21 N ATOM 739 CA SER A 71 -1.131 7.735 -10.486 1.00 43.04 C ATOM 740 C SER A 71 -2.040 7.913 -9.275 1.00 31.22 C ATOM 741 O SER A 71 -2.736 8.922 -9.147 1.00 20.12 O ATOM 742 CB SER A 71 -1.854 6.931 -11.568 1.00 50.25 C ATOM 743 OG SER A 71 -1.124 6.939 -12.782 1.00 43.11 O ATOM 0 H SER A 71 0.211 6.125 -10.470 1.00 61.21 H new ATOM 0 HA SER A 71 -0.884 8.720 -10.881 1.00 43.04 H new ATOM 0 HB2 SER A 71 -1.993 5.904 -11.230 1.00 50.25 H new ATOM 0 HB3 SER A 71 -2.847 7.349 -11.734 1.00 50.25 H new ATOM 0 HG SER A 71 -1.606 6.417 -13.457 1.00 43.11 H new ATOM 749 N LEU A 72 -2.030 6.925 -8.386 1.00 21.05 N ATOM 750 CA LEU A 72 -2.855 6.970 -7.183 1.00 64.43 C ATOM 751 C LEU A 72 -2.382 8.070 -6.239 1.00 21.23 C ATOM 752 O LEU A 72 -3.183 8.852 -5.726 1.00 32.44 O ATOM 753 CB LEU A 72 -2.822 5.618 -6.468 1.00 23.13 C ATOM 754 CG LEU A 72 -3.745 4.537 -7.030 1.00 72.33 C ATOM 755 CD1 LEU A 72 -3.030 3.196 -7.076 1.00 35.15 C ATOM 756 CD2 LEU A 72 -5.017 4.439 -6.203 1.00 14.41 C ATOM 0 H LEU A 72 -1.460 6.084 -8.475 1.00 21.05 H new ATOM 0 HA LEU A 72 -3.880 7.191 -7.482 1.00 64.43 H new ATOM 0 HB2 LEU A 72 -1.799 5.242 -6.492 1.00 23.13 H new ATOM 0 HB3 LEU A 72 -3.078 5.777 -5.421 1.00 23.13 H new ATOM 0 HG LEU A 72 -4.019 4.813 -8.048 1.00 72.33 H new ATOM 0 HD11 LEU A 72 -3.703 2.439 -7.479 1.00 35.15 H new ATOM 0 HD12 LEU A 72 -2.149 3.275 -7.713 1.00 35.15 H new ATOM 0 HD13 LEU A 72 -2.725 2.912 -6.069 1.00 35.15 H new ATOM 0 HD21 LEU A 72 -5.662 3.664 -6.618 1.00 14.41 H new ATOM 0 HD22 LEU A 72 -4.763 4.187 -5.173 1.00 14.41 H new ATOM 0 HD23 LEU A 72 -5.539 5.396 -6.224 1.00 14.41 H new ATOM 768 N LEU A 73 -1.073 8.128 -6.014 1.00 22.50 N ATOM 769 CA LEU A 73 -0.491 9.134 -5.134 1.00 30.53 C ATOM 770 C LEU A 73 -0.784 10.540 -5.646 1.00 50.10 C ATOM 771 O LEU A 73 -1.094 11.442 -4.868 1.00 50.25 O ATOM 772 CB LEU A 73 1.020 8.927 -5.018 1.00 33.24 C ATOM 773 CG LEU A 73 1.472 7.567 -4.480 1.00 13.21 C ATOM 774 CD1 LEU A 73 2.767 7.132 -5.147 1.00 54.12 C ATOM 775 CD2 LEU A 73 1.640 7.622 -2.969 1.00 25.10 C ATOM 0 H LEU A 73 -0.395 7.489 -6.430 1.00 22.50 H new ATOM 0 HA LEU A 73 -0.943 9.024 -4.149 1.00 30.53 H new ATOM 0 HB2 LEU A 73 1.463 9.071 -6.003 1.00 33.24 H new ATOM 0 HB3 LEU A 73 1.424 9.704 -4.370 1.00 33.24 H new ATOM 0 HG LEU A 73 0.703 6.831 -4.714 1.00 13.21 H new ATOM 0 HD11 LEU A 73 3.072 6.163 -4.752 1.00 54.12 H new ATOM 0 HD12 LEU A 73 2.613 7.053 -6.223 1.00 54.12 H new ATOM 0 HD13 LEU A 73 3.545 7.868 -4.945 1.00 54.12 H new ATOM 0 HD21 LEU A 73 1.962 6.647 -2.603 1.00 25.10 H new ATOM 0 HD22 LEU A 73 2.390 8.371 -2.713 1.00 25.10 H new ATOM 0 HD23 LEU A 73 0.689 7.888 -2.507 1.00 25.10 H new ATOM 787 N GLY A 74 -0.687 10.721 -6.960 1.00 21.52 N ATOM 788 CA GLY A 74 -0.946 12.018 -7.553 1.00 71.14 C ATOM 789 C GLY A 74 -2.427 12.329 -7.643 1.00 32.12 C ATOM 790 O GLY A 74 -2.815 13.455 -7.950 1.00 50.42 O ATOM 0 H GLY A 74 -0.433 9.990 -7.625 1.00 21.52 H new ATOM 0 HA2 GLY A 74 -0.451 12.789 -6.963 1.00 71.14 H new ATOM 0 HA3 GLY A 74 -0.510 12.051 -8.551 1.00 71.14 H new ATOM 794 N ALA A 75 -3.257 11.326 -7.376 1.00 20.35 N ATOM 795 CA ALA A 75 -4.705 11.497 -7.428 1.00 63.41 C ATOM 796 C ALA A 75 -5.196 12.363 -6.273 1.00 33.44 C ATOM 797 O ALA A 75 -5.924 13.334 -6.479 1.00 12.33 O ATOM 798 CB ALA A 75 -5.397 10.142 -7.408 1.00 51.12 C ATOM 0 H ALA A 75 -2.952 10.386 -7.121 1.00 20.35 H new ATOM 0 HA ALA A 75 -4.954 12.005 -8.360 1.00 63.41 H new ATOM 0 HB1 ALA A 75 -6.477 10.284 -7.447 1.00 51.12 H new ATOM 0 HB2 ALA A 75 -5.077 9.557 -8.270 1.00 51.12 H new ATOM 0 HB3 ALA A 75 -5.134 9.613 -6.492 1.00 51.12 H new ATOM 804 N VAL A 76 -4.795 12.003 -5.057 1.00 35.33 N ATOM 805 CA VAL A 76 -5.196 12.748 -3.870 1.00 21.44 C ATOM 806 C VAL A 76 -4.567 14.137 -3.853 1.00 44.24 C ATOM 807 O VAL A 76 -5.185 15.104 -3.410 1.00 53.21 O ATOM 808 CB VAL A 76 -4.800 12.002 -2.581 1.00 41.42 C ATOM 809 CG1 VAL A 76 -5.474 10.639 -2.524 1.00 1.02 C ATOM 810 CG2 VAL A 76 -3.288 11.863 -2.488 1.00 53.50 C ATOM 0 H VAL A 76 -4.194 11.201 -4.869 1.00 35.33 H new ATOM 0 HA VAL A 76 -6.281 12.845 -3.908 1.00 21.44 H new ATOM 0 HB VAL A 76 -5.141 12.585 -1.726 1.00 41.42 H new ATOM 0 HG11 VAL A 76 -5.182 10.127 -1.607 1.00 1.02 H new ATOM 0 HG12 VAL A 76 -6.556 10.767 -2.540 1.00 1.02 H new ATOM 0 HG13 VAL A 76 -5.167 10.045 -3.385 1.00 1.02 H new ATOM 0 HG21 VAL A 76 -3.027 11.334 -1.572 1.00 53.50 H new ATOM 0 HG22 VAL A 76 -2.921 11.303 -3.348 1.00 53.50 H new ATOM 0 HG23 VAL A 76 -2.832 12.853 -2.478 1.00 53.50 H new ATOM 820 N SER A 77 -3.333 14.228 -4.340 1.00 75.55 N ATOM 821 CA SER A 77 -2.620 15.499 -4.379 1.00 22.50 C ATOM 822 C SER A 77 -3.449 16.567 -5.085 1.00 72.21 C ATOM 823 O SER A 77 -3.452 17.731 -4.685 1.00 21.24 O ATOM 824 CB SER A 77 -1.274 15.330 -5.090 1.00 13.43 C ATOM 825 OG SER A 77 -0.880 16.533 -5.726 1.00 33.21 O ATOM 0 H SER A 77 -2.807 13.437 -4.713 1.00 75.55 H new ATOM 0 HA SER A 77 -2.445 15.820 -3.352 1.00 22.50 H new ATOM 0 HB2 SER A 77 -0.513 15.030 -4.369 1.00 13.43 H new ATOM 0 HB3 SER A 77 -1.347 14.531 -5.828 1.00 13.43 H new ATOM 0 HG SER A 77 -0.017 16.400 -6.171 1.00 33.21 H new ATOM 831 N GLY A 78 -4.153 16.161 -6.138 1.00 52.33 N ATOM 832 CA GLY A 78 -4.977 17.095 -6.882 1.00 45.34 C ATOM 833 C GLY A 78 -6.409 17.130 -6.386 1.00 61.12 C ATOM 834 O GLY A 78 -7.124 18.108 -6.599 1.00 14.22 O ATOM 0 H GLY A 78 -4.167 15.203 -6.488 1.00 52.33 H new ATOM 0 HA2 GLY A 78 -4.546 18.093 -6.808 1.00 45.34 H new ATOM 0 HA3 GLY A 78 -4.968 16.821 -7.937 1.00 45.34 H new ATOM 838 N TYR A 79 -6.829 16.057 -5.723 1.00 11.42 N ATOM 839 CA TYR A 79 -8.186 15.966 -5.198 1.00 22.23 C ATOM 840 C TYR A 79 -8.374 16.903 -4.008 1.00 61.23 C ATOM 841 O TYR A 79 -9.479 17.374 -3.742 1.00 61.11 O ATOM 842 CB TYR A 79 -8.499 14.528 -4.783 1.00 73.00 C ATOM 843 CG TYR A 79 -9.868 14.056 -5.221 1.00 44.24 C ATOM 844 CD1 TYR A 79 -10.950 14.928 -5.244 1.00 3.24 C ATOM 845 CD2 TYR A 79 -10.078 12.740 -5.613 1.00 53.14 C ATOM 846 CE1 TYR A 79 -12.202 14.501 -5.642 1.00 30.31 C ATOM 847 CE2 TYR A 79 -11.326 12.305 -6.014 1.00 42.53 C ATOM 848 CZ TYR A 79 -12.386 13.189 -6.027 1.00 5.42 C ATOM 849 OH TYR A 79 -13.631 12.760 -6.425 1.00 5.11 O ATOM 0 H TYR A 79 -6.249 15.239 -5.537 1.00 11.42 H new ATOM 0 HA TYR A 79 -8.875 16.268 -5.987 1.00 22.23 H new ATOM 0 HB2 TYR A 79 -7.743 13.865 -5.204 1.00 73.00 H new ATOM 0 HB3 TYR A 79 -8.426 14.447 -3.698 1.00 73.00 H new ATOM 0 HD1 TYR A 79 -10.810 15.956 -4.946 1.00 3.24 H new ATOM 0 HD2 TYR A 79 -9.251 12.045 -5.604 1.00 53.14 H new ATOM 0 HE1 TYR A 79 -13.033 15.191 -5.652 1.00 30.31 H new ATOM 0 HE2 TYR A 79 -11.472 11.278 -6.316 1.00 42.53 H new ATOM 0 HH TYR A 79 -13.589 11.811 -6.664 1.00 5.11 H new ATOM 859 N VAL A 80 -7.285 17.169 -3.294 1.00 65.31 N ATOM 860 CA VAL A 80 -7.325 18.049 -2.134 1.00 15.35 C ATOM 861 C VAL A 80 -7.693 19.473 -2.537 1.00 72.24 C ATOM 862 O VAL A 80 -8.386 20.177 -1.804 1.00 40.32 O ATOM 863 CB VAL A 80 -5.975 18.070 -1.395 1.00 51.25 C ATOM 864 CG1 VAL A 80 -5.642 16.688 -0.853 1.00 3.23 C ATOM 865 CG2 VAL A 80 -4.872 18.570 -2.317 1.00 2.14 C ATOM 0 H VAL A 80 -6.362 16.786 -3.500 1.00 65.31 H new ATOM 0 HA VAL A 80 -8.089 17.653 -1.465 1.00 15.35 H new ATOM 0 HB VAL A 80 -6.052 18.756 -0.552 1.00 51.25 H new ATOM 0 HG11 VAL A 80 -4.684 16.722 -0.334 1.00 3.23 H new ATOM 0 HG12 VAL A 80 -6.420 16.372 -0.158 1.00 3.23 H new ATOM 0 HG13 VAL A 80 -5.582 15.978 -1.678 1.00 3.23 H new ATOM 0 HG21 VAL A 80 -3.924 18.579 -1.779 1.00 2.14 H new ATOM 0 HG22 VAL A 80 -4.793 17.910 -3.181 1.00 2.14 H new ATOM 0 HG23 VAL A 80 -5.108 19.580 -2.652 1.00 2.14 H new ATOM 875 N SER A 81 -7.225 19.889 -3.709 1.00 53.04 N ATOM 876 CA SER A 81 -7.502 21.231 -4.209 1.00 30.00 C ATOM 877 C SER A 81 -8.964 21.365 -4.624 1.00 62.41 C ATOM 878 O SER A 81 -9.583 22.411 -4.431 1.00 50.31 O ATOM 879 CB SER A 81 -6.591 21.553 -5.397 1.00 15.43 C ATOM 880 OG SER A 81 -5.632 22.537 -5.052 1.00 10.23 O ATOM 0 H SER A 81 -6.653 19.317 -4.330 1.00 53.04 H new ATOM 0 HA SER A 81 -7.304 21.940 -3.405 1.00 30.00 H new ATOM 0 HB2 SER A 81 -6.084 20.646 -5.727 1.00 15.43 H new ATOM 0 HB3 SER A 81 -7.192 21.905 -6.235 1.00 15.43 H new ATOM 0 HG SER A 81 -5.062 22.724 -5.827 1.00 10.23 H new ATOM 886 N THR A 82 -9.510 20.297 -5.196 1.00 0.34 N ATOM 887 CA THR A 82 -10.900 20.294 -5.639 1.00 20.34 C ATOM 888 C THR A 82 -11.839 19.914 -4.500 1.00 54.03 C ATOM 889 O THR A 82 -13.048 20.140 -4.579 1.00 14.44 O ATOM 890 CB THR A 82 -11.112 19.319 -6.812 1.00 50.23 C ATOM 891 OG1 THR A 82 -9.852 18.975 -7.399 1.00 52.05 O ATOM 892 CG2 THR A 82 -12.018 19.932 -7.868 1.00 40.25 C ATOM 0 H THR A 82 -9.012 19.423 -5.364 1.00 0.34 H new ATOM 0 HA THR A 82 -11.129 21.306 -5.972 1.00 20.34 H new ATOM 0 HB THR A 82 -11.589 18.419 -6.424 1.00 50.23 H new ATOM 0 HG1 THR A 82 -9.996 18.353 -8.143 1.00 52.05 H new ATOM 0 HG21 THR A 82 -12.153 19.225 -8.686 1.00 40.25 H new ATOM 0 HG22 THR A 82 -12.987 20.165 -7.426 1.00 40.25 H new ATOM 0 HG23 THR A 82 -11.565 20.847 -8.250 1.00 40.25 H new ATOM 900 N LEU A 83 -11.278 19.337 -3.444 1.00 40.21 N ATOM 901 CA LEU A 83 -12.067 18.926 -2.288 1.00 61.03 C ATOM 902 C LEU A 83 -12.932 20.077 -1.783 1.00 10.33 C ATOM 903 O LEU A 83 -14.077 19.874 -1.378 1.00 2.10 O ATOM 904 CB LEU A 83 -11.149 18.434 -1.168 1.00 22.15 C ATOM 905 CG LEU A 83 -11.013 16.918 -1.029 1.00 44.33 C ATOM 906 CD1 LEU A 83 -10.059 16.568 0.103 1.00 63.22 C ATOM 907 CD2 LEU A 83 -12.375 16.278 -0.798 1.00 2.34 C ATOM 0 H LEU A 83 -10.280 19.143 -3.364 1.00 40.21 H new ATOM 0 HA LEU A 83 -12.722 18.111 -2.597 1.00 61.03 H new ATOM 0 HB2 LEU A 83 -10.156 18.855 -1.328 1.00 22.15 H new ATOM 0 HB3 LEU A 83 -11.516 18.834 -0.223 1.00 22.15 H new ATOM 0 HG LEU A 83 -10.602 16.524 -1.958 1.00 44.33 H new ATOM 0 HD11 LEU A 83 -9.975 15.484 0.186 1.00 63.22 H new ATOM 0 HD12 LEU A 83 -9.077 16.993 -0.104 1.00 63.22 H new ATOM 0 HD13 LEU A 83 -10.440 16.975 1.039 1.00 63.22 H new ATOM 0 HD21 LEU A 83 -12.258 15.199 -0.701 1.00 2.34 H new ATOM 0 HD22 LEU A 83 -12.815 16.678 0.115 1.00 2.34 H new ATOM 0 HD23 LEU A 83 -13.028 16.498 -1.642 1.00 2.34 H new ATOM 919 N GLY A 84 -12.378 21.284 -1.811 1.00 53.13 N ATOM 920 CA GLY A 84 -13.114 22.450 -1.355 1.00 33.43 C ATOM 921 C GLY A 84 -13.166 22.547 0.156 1.00 64.22 C ATOM 922 O GLY A 84 -12.763 23.557 0.734 1.00 74.55 O ATOM 0 H GLY A 84 -11.432 21.477 -2.141 1.00 53.13 H new ATOM 0 HA2 GLY A 84 -12.649 23.350 -1.758 1.00 33.43 H new ATOM 0 HA3 GLY A 84 -14.130 22.412 -1.749 1.00 33.43 H new ATOM 926 N ASN A 85 -13.666 21.497 0.799 1.00 44.12 N ATOM 927 CA ASN A 85 -13.770 21.470 2.254 1.00 75.12 C ATOM 928 C ASN A 85 -12.390 21.394 2.898 1.00 13.23 C ATOM 929 O ASN A 85 -12.253 21.526 4.113 1.00 73.10 O ATOM 930 CB ASN A 85 -14.622 20.281 2.702 1.00 31.52 C ATOM 931 CG ASN A 85 -16.094 20.475 2.394 1.00 34.02 C ATOM 932 OD1 ASN A 85 -16.638 19.845 1.486 1.00 44.23 O ATOM 933 ND2 ASN A 85 -16.747 21.349 3.151 1.00 34.33 N ATOM 0 H ASN A 85 -14.005 20.654 0.336 1.00 44.12 H new ATOM 0 HA ASN A 85 -14.249 22.394 2.576 1.00 75.12 H new ATOM 0 HB2 ASN A 85 -14.267 19.377 2.208 1.00 31.52 H new ATOM 0 HB3 ASN A 85 -14.495 20.130 3.774 1.00 31.52 H new ATOM 0 HD21 ASN A 85 -17.740 21.521 2.991 1.00 34.33 H new ATOM 0 HD22 ASN A 85 -16.256 21.849 3.892 1.00 34.33 H new ATOM 940 N ALA A 86 -11.369 21.180 2.074 1.00 3.13 N ATOM 941 CA ALA A 86 -10.000 21.089 2.562 1.00 41.42 C ATOM 942 C ALA A 86 -9.711 19.704 3.132 1.00 30.23 C ATOM 943 O ALA A 86 -10.508 18.778 2.974 1.00 52.44 O ATOM 944 CB ALA A 86 -9.741 22.158 3.612 1.00 43.42 C ATOM 0 H ALA A 86 -11.465 21.067 1.065 1.00 3.13 H new ATOM 0 HA ALA A 86 -9.329 21.254 1.719 1.00 41.42 H new ATOM 0 HB1 ALA A 86 -8.714 22.078 3.967 1.00 43.42 H new ATOM 0 HB2 ALA A 86 -9.897 23.144 3.174 1.00 43.42 H new ATOM 0 HB3 ALA A 86 -10.426 22.020 4.448 1.00 43.42 H new ATOM 950 N ILE A 87 -8.569 19.569 3.797 1.00 22.00 N ATOM 951 CA ILE A 87 -8.176 18.296 4.391 1.00 52.42 C ATOM 952 C ILE A 87 -8.785 18.127 5.778 1.00 73.35 C ATOM 953 O ILE A 87 -8.888 17.012 6.290 1.00 42.20 O ATOM 954 CB ILE A 87 -6.645 18.173 4.495 1.00 24.44 C ATOM 955 CG1 ILE A 87 -5.971 18.896 3.327 1.00 12.41 C ATOM 956 CG2 ILE A 87 -6.233 16.708 4.528 1.00 45.14 C ATOM 957 CD1 ILE A 87 -6.439 18.418 1.971 1.00 62.15 C ATOM 0 H ILE A 87 -7.899 20.325 3.938 1.00 22.00 H new ATOM 0 HA ILE A 87 -8.551 17.511 3.734 1.00 52.42 H new ATOM 0 HB ILE A 87 -6.320 18.643 5.423 1.00 24.44 H new ATOM 0 HG12 ILE A 87 -6.163 19.966 3.413 1.00 12.41 H new ATOM 0 HG13 ILE A 87 -4.892 18.759 3.399 1.00 12.41 H new ATOM 0 HG21 ILE A 87 -5.148 16.637 4.602 1.00 45.14 H new ATOM 0 HG22 ILE A 87 -6.688 16.221 5.391 1.00 45.14 H new ATOM 0 HG23 ILE A 87 -6.568 16.215 3.615 1.00 45.14 H new ATOM 0 HD11 ILE A 87 -5.920 18.974 1.190 1.00 62.15 H new ATOM 0 HD12 ILE A 87 -6.222 17.355 1.865 1.00 62.15 H new ATOM 0 HD13 ILE A 87 -7.513 18.580 1.879 1.00 62.15 H new ATOM 969 N SER A 88 -9.189 19.241 6.381 1.00 23.14 N ATOM 970 CA SER A 88 -9.787 19.216 7.712 1.00 23.44 C ATOM 971 C SER A 88 -10.925 18.203 7.776 1.00 12.34 C ATOM 972 O SER A 88 -11.148 17.569 8.808 1.00 71.55 O ATOM 973 CB SER A 88 -10.303 20.606 8.088 1.00 65.14 C ATOM 974 OG SER A 88 -9.681 21.611 7.304 1.00 60.42 O ATOM 0 H SER A 88 -9.113 20.171 5.970 1.00 23.14 H new ATOM 0 HA SER A 88 -9.018 18.918 8.424 1.00 23.44 H new ATOM 0 HB2 SER A 88 -11.383 20.647 7.947 1.00 65.14 H new ATOM 0 HB3 SER A 88 -10.112 20.795 9.144 1.00 65.14 H new ATOM 0 HG SER A 88 -10.029 22.490 7.562 1.00 60.42 H new ATOM 980 N ASP A 89 -11.643 18.057 6.668 1.00 44.32 N ATOM 981 CA ASP A 89 -12.760 17.122 6.597 1.00 22.35 C ATOM 982 C ASP A 89 -12.262 15.703 6.336 1.00 71.20 C ATOM 983 O ASP A 89 -11.873 15.367 5.218 1.00 44.23 O ATOM 984 CB ASP A 89 -13.737 17.543 5.500 1.00 10.03 C ATOM 985 CG ASP A 89 -14.511 18.796 5.865 1.00 62.42 C ATOM 986 OD1 ASP A 89 -13.882 19.865 5.995 1.00 63.33 O ATOM 987 OD2 ASP A 89 -15.747 18.705 6.022 1.00 73.13 O ATOM 0 H ASP A 89 -11.471 18.575 5.806 1.00 44.32 H new ATOM 0 HA ASP A 89 -13.277 17.137 7.556 1.00 22.35 H new ATOM 0 HB2 ASP A 89 -13.188 17.715 4.574 1.00 10.03 H new ATOM 0 HB3 ASP A 89 -14.437 16.730 5.309 1.00 10.03 H new ATOM 992 N ALA A 90 -12.279 14.875 7.374 1.00 74.31 N ATOM 993 CA ALA A 90 -11.832 13.492 7.256 1.00 2.34 C ATOM 994 C ALA A 90 -12.725 12.706 6.303 1.00 34.41 C ATOM 995 O ALA A 90 -12.240 12.050 5.380 1.00 11.52 O ATOM 996 CB ALA A 90 -11.804 12.828 8.625 1.00 71.44 C ATOM 0 H ALA A 90 -12.597 15.137 8.307 1.00 74.31 H new ATOM 0 HA ALA A 90 -10.822 13.496 6.846 1.00 2.34 H new ATOM 0 HB1 ALA A 90 -11.469 11.796 8.522 1.00 71.44 H new ATOM 0 HB2 ALA A 90 -11.119 13.369 9.278 1.00 71.44 H new ATOM 0 HB3 ALA A 90 -12.805 12.843 9.057 1.00 71.44 H new ATOM 1002 N SER A 91 -14.033 12.775 6.532 1.00 74.44 N ATOM 1003 CA SER A 91 -14.993 12.065 5.695 1.00 15.23 C ATOM 1004 C SER A 91 -14.926 12.556 4.252 1.00 63.21 C ATOM 1005 O SER A 91 -15.102 11.782 3.312 1.00 1.32 O ATOM 1006 CB SER A 91 -16.411 12.250 6.242 1.00 22.41 C ATOM 1007 OG SER A 91 -17.381 11.926 5.261 1.00 13.30 O ATOM 0 H SER A 91 -14.452 13.315 7.289 1.00 74.44 H new ATOM 0 HA SER A 91 -14.738 11.005 5.712 1.00 15.23 H new ATOM 0 HB2 SER A 91 -16.551 11.619 7.119 1.00 22.41 H new ATOM 0 HB3 SER A 91 -16.548 13.282 6.567 1.00 22.41 H new ATOM 0 HG SER A 91 -18.278 12.051 5.635 1.00 13.30 H new ATOM 1013 N ALA A 92 -14.668 13.849 4.086 1.00 70.03 N ATOM 1014 CA ALA A 92 -14.573 14.446 2.759 1.00 34.33 C ATOM 1015 C ALA A 92 -13.309 13.986 2.040 1.00 13.12 C ATOM 1016 O ALA A 92 -13.373 13.445 0.936 1.00 40.32 O ATOM 1017 CB ALA A 92 -14.605 15.963 2.858 1.00 33.01 C ATOM 0 H ALA A 92 -14.521 14.504 4.854 1.00 70.03 H new ATOM 0 HA ALA A 92 -15.432 14.114 2.176 1.00 34.33 H new ATOM 0 HB1 ALA A 92 -14.533 16.394 1.860 1.00 33.01 H new ATOM 0 HB2 ALA A 92 -15.539 16.278 3.323 1.00 33.01 H new ATOM 0 HB3 ALA A 92 -13.765 16.306 3.463 1.00 33.01 H new ATOM 1023 N TYR A 93 -12.162 14.207 2.672 1.00 71.21 N ATOM 1024 CA TYR A 93 -10.883 13.819 2.091 1.00 43.11 C ATOM 1025 C TYR A 93 -10.809 12.308 1.892 1.00 11.41 C ATOM 1026 O TYR A 93 -10.464 11.829 0.813 1.00 62.43 O ATOM 1027 CB TYR A 93 -9.730 14.283 2.984 1.00 55.21 C ATOM 1028 CG TYR A 93 -8.384 13.732 2.572 1.00 40.44 C ATOM 1029 CD1 TYR A 93 -7.947 12.497 3.033 1.00 73.25 C ATOM 1030 CD2 TYR A 93 -7.551 14.448 1.721 1.00 23.10 C ATOM 1031 CE1 TYR A 93 -6.717 11.990 2.659 1.00 43.21 C ATOM 1032 CE2 TYR A 93 -6.320 13.947 1.341 1.00 24.30 C ATOM 1033 CZ TYR A 93 -5.908 12.719 1.813 1.00 65.42 C ATOM 1034 OH TYR A 93 -4.683 12.217 1.437 1.00 62.41 O ATOM 0 H TYR A 93 -12.092 14.653 3.587 1.00 71.21 H new ATOM 0 HA TYR A 93 -10.796 14.300 1.117 1.00 43.11 H new ATOM 0 HB2 TYR A 93 -9.687 15.372 2.970 1.00 55.21 H new ATOM 0 HB3 TYR A 93 -9.936 13.985 4.012 1.00 55.21 H new ATOM 0 HD1 TYR A 93 -8.579 11.923 3.695 1.00 73.25 H new ATOM 0 HD2 TYR A 93 -7.870 15.411 1.351 1.00 23.10 H new ATOM 0 HE1 TYR A 93 -6.391 11.028 3.027 1.00 43.21 H new ATOM 0 HE2 TYR A 93 -5.684 14.515 0.678 1.00 24.30 H new ATOM 0 HH TYR A 93 -4.784 11.686 0.619 1.00 62.41 H new ATOM 1044 N ALA A 94 -11.140 11.564 2.943 1.00 2.11 N ATOM 1045 CA ALA A 94 -11.115 10.107 2.884 1.00 1.43 C ATOM 1046 C ALA A 94 -12.029 9.587 1.781 1.00 32.31 C ATOM 1047 O ALA A 94 -11.726 8.586 1.132 1.00 63.54 O ATOM 1048 CB ALA A 94 -11.519 9.519 4.229 1.00 72.40 C ATOM 0 H ALA A 94 -11.428 11.945 3.844 1.00 2.11 H new ATOM 0 HA ALA A 94 -10.097 9.794 2.653 1.00 1.43 H new ATOM 0 HB1 ALA A 94 -11.496 8.431 4.172 1.00 72.40 H new ATOM 0 HB2 ALA A 94 -10.823 9.857 4.997 1.00 72.40 H new ATOM 0 HB3 ALA A 94 -12.527 9.848 4.482 1.00 72.40 H new ATOM 1054 N ASN A 95 -13.149 10.271 1.573 1.00 12.43 N ATOM 1055 CA ASN A 95 -14.108 9.876 0.548 1.00 52.13 C ATOM 1056 C ASN A 95 -13.484 9.962 -0.842 1.00 14.14 C ATOM 1057 O ASN A 95 -13.731 9.113 -1.698 1.00 12.45 O ATOM 1058 CB ASN A 95 -15.353 10.762 0.617 1.00 75.52 C ATOM 1059 CG ASN A 95 -16.253 10.588 -0.592 1.00 43.51 C ATOM 1060 OD1 ASN A 95 -16.051 11.225 -1.627 1.00 12.25 O ATOM 1061 ND2 ASN A 95 -17.253 9.725 -0.466 1.00 25.14 N ATOM 0 H ASN A 95 -13.415 11.102 2.101 1.00 12.43 H new ATOM 0 HA ASN A 95 -14.396 8.841 0.734 1.00 52.13 H new ATOM 0 HB2 ASN A 95 -15.914 10.526 1.521 1.00 75.52 H new ATOM 0 HB3 ASN A 95 -15.049 11.806 0.693 1.00 75.52 H new ATOM 0 HD21 ASN A 95 -17.892 9.568 -1.245 1.00 25.14 H new ATOM 0 HD22 ASN A 95 -17.383 9.219 0.410 1.00 25.14 H new ATOM 1068 N ALA A 96 -12.675 10.993 -1.058 1.00 71.30 N ATOM 1069 CA ALA A 96 -12.014 11.190 -2.343 1.00 74.30 C ATOM 1070 C ALA A 96 -10.946 10.127 -2.578 1.00 60.41 C ATOM 1071 O ALA A 96 -10.954 9.440 -3.601 1.00 11.22 O ATOM 1072 CB ALA A 96 -11.403 12.581 -2.415 1.00 23.20 C ATOM 0 H ALA A 96 -12.461 11.705 -0.360 1.00 71.30 H new ATOM 0 HA ALA A 96 -12.764 11.095 -3.128 1.00 74.30 H new ATOM 0 HB1 ALA A 96 -10.913 12.714 -3.380 1.00 23.20 H new ATOM 0 HB2 ALA A 96 -12.187 13.329 -2.300 1.00 23.20 H new ATOM 0 HB3 ALA A 96 -10.670 12.698 -1.617 1.00 23.20 H new ATOM 1078 N ILE A 97 -10.027 9.998 -1.627 1.00 31.33 N ATOM 1079 CA ILE A 97 -8.953 9.019 -1.731 1.00 72.41 C ATOM 1080 C ILE A 97 -9.504 7.597 -1.756 1.00 42.43 C ATOM 1081 O ILE A 97 -8.942 6.714 -2.402 1.00 0.11 O ATOM 1082 CB ILE A 97 -7.955 9.151 -0.564 1.00 20.03 C ATOM 1083 CG1 ILE A 97 -6.761 8.218 -0.777 1.00 61.41 C ATOM 1084 CG2 ILE A 97 -8.644 8.844 0.757 1.00 10.41 C ATOM 1085 CD1 ILE A 97 -5.600 8.502 0.150 1.00 20.24 C ATOM 0 H ILE A 97 -10.005 10.560 -0.776 1.00 31.33 H new ATOM 0 HA ILE A 97 -8.433 9.220 -2.668 1.00 72.41 H new ATOM 0 HB ILE A 97 -7.589 10.177 -0.532 1.00 20.03 H new ATOM 0 HG12 ILE A 97 -7.086 7.187 -0.634 1.00 61.41 H new ATOM 0 HG13 ILE A 97 -6.421 8.305 -1.809 1.00 61.41 H new ATOM 0 HG21 ILE A 97 -7.927 8.941 1.572 1.00 10.41 H new ATOM 0 HG22 ILE A 97 -9.465 9.544 0.910 1.00 10.41 H new ATOM 0 HG23 ILE A 97 -9.034 7.826 0.736 1.00 10.41 H new ATOM 0 HD11 ILE A 97 -4.790 7.803 -0.057 1.00 20.24 H new ATOM 0 HD12 ILE A 97 -5.249 9.522 -0.008 1.00 20.24 H new ATOM 0 HD13 ILE A 97 -5.924 8.386 1.184 1.00 20.24 H new ATOM 1097 N SER A 98 -10.610 7.384 -1.047 1.00 41.34 N ATOM 1098 CA SER A 98 -11.237 6.069 -0.986 1.00 53.44 C ATOM 1099 C SER A 98 -11.630 5.589 -2.380 1.00 43.34 C ATOM 1100 O SER A 98 -11.530 4.403 -2.691 1.00 14.35 O ATOM 1101 CB SER A 98 -12.471 6.113 -0.084 1.00 22.14 C ATOM 1102 OG SER A 98 -13.208 4.905 -0.169 1.00 41.20 O ATOM 0 H SER A 98 -11.089 8.105 -0.508 1.00 41.34 H new ATOM 0 HA SER A 98 -10.514 5.367 -0.570 1.00 53.44 H new ATOM 0 HB2 SER A 98 -12.165 6.284 0.948 1.00 22.14 H new ATOM 0 HB3 SER A 98 -13.106 6.951 -0.371 1.00 22.14 H new ATOM 0 HG SER A 98 -14.115 5.097 -0.487 1.00 41.20 H new ATOM 1108 N SER A 99 -12.074 6.521 -3.217 1.00 71.10 N ATOM 1109 CA SER A 99 -12.486 6.194 -4.577 1.00 61.11 C ATOM 1110 C SER A 99 -11.277 5.844 -5.440 1.00 62.30 C ATOM 1111 O SER A 99 -11.342 4.951 -6.285 1.00 0.12 O ATOM 1112 CB SER A 99 -13.248 7.366 -5.199 1.00 43.41 C ATOM 1113 OG SER A 99 -13.469 7.156 -6.581 1.00 62.22 O ATOM 0 H SER A 99 -12.158 7.509 -2.977 1.00 71.10 H new ATOM 0 HA SER A 99 -13.144 5.326 -4.532 1.00 61.11 H new ATOM 0 HB2 SER A 99 -14.204 7.493 -4.690 1.00 43.41 H new ATOM 0 HB3 SER A 99 -12.685 8.288 -5.054 1.00 43.41 H new ATOM 0 HG SER A 99 -13.959 7.919 -6.954 1.00 62.22 H new ATOM 1119 N ALA A 100 -10.175 6.555 -5.221 1.00 70.35 N ATOM 1120 CA ALA A 100 -8.952 6.319 -5.977 1.00 45.43 C ATOM 1121 C ALA A 100 -8.342 4.965 -5.627 1.00 50.14 C ATOM 1122 O ALA A 100 -8.124 4.128 -6.503 1.00 42.11 O ATOM 1123 CB ALA A 100 -7.949 7.434 -5.719 1.00 50.30 C ATOM 0 H ALA A 100 -10.105 7.299 -4.526 1.00 70.35 H new ATOM 0 HA ALA A 100 -9.206 6.311 -7.037 1.00 45.43 H new ATOM 0 HB1 ALA A 100 -7.040 7.245 -6.290 1.00 50.30 H new ATOM 0 HB2 ALA A 100 -8.378 8.388 -6.026 1.00 50.30 H new ATOM 0 HB3 ALA A 100 -7.709 7.469 -4.656 1.00 50.30 H new ATOM 1129 N ILE A 101 -8.071 4.757 -4.343 1.00 54.25 N ATOM 1130 CA ILE A 101 -7.489 3.505 -3.879 1.00 41.32 C ATOM 1131 C ILE A 101 -8.479 2.354 -4.014 1.00 12.51 C ATOM 1132 O ILE A 101 -8.107 1.240 -4.376 1.00 25.15 O ATOM 1133 CB ILE A 101 -7.032 3.607 -2.412 1.00 13.33 C ATOM 1134 CG1 ILE A 101 -8.206 4.015 -1.516 1.00 62.54 C ATOM 1135 CG2 ILE A 101 -5.888 4.602 -2.280 1.00 34.00 C ATOM 1136 CD1 ILE A 101 -8.824 2.854 -0.768 1.00 50.43 C ATOM 0 H ILE A 101 -8.245 5.440 -3.606 1.00 54.25 H new ATOM 0 HA ILE A 101 -6.621 3.308 -4.508 1.00 41.32 H new ATOM 0 HB ILE A 101 -6.675 2.629 -2.090 1.00 13.33 H new ATOM 0 HG12 ILE A 101 -7.863 4.759 -0.797 1.00 62.54 H new ATOM 0 HG13 ILE A 101 -8.972 4.492 -2.128 1.00 62.54 H new ATOM 0 HG21 ILE A 101 -5.577 4.662 -1.237 1.00 34.00 H new ATOM 0 HG22 ILE A 101 -5.047 4.273 -2.891 1.00 34.00 H new ATOM 0 HG23 ILE A 101 -6.219 5.584 -2.617 1.00 34.00 H new ATOM 0 HD11 ILE A 101 -9.649 3.215 -0.153 1.00 50.43 H new ATOM 0 HD12 ILE A 101 -9.197 2.119 -1.481 1.00 50.43 H new ATOM 0 HD13 ILE A 101 -8.072 2.391 -0.130 1.00 50.43 H new ATOM 1148 N GLY A 102 -9.745 2.634 -3.720 1.00 34.22 N ATOM 1149 CA GLY A 102 -10.772 1.612 -3.817 1.00 3.14 C ATOM 1150 C GLY A 102 -10.977 1.127 -5.238 1.00 42.44 C ATOM 1151 O GLY A 102 -11.294 -0.040 -5.464 1.00 61.21 O ATOM 0 H GLY A 102 -10.078 3.549 -3.417 1.00 34.22 H new ATOM 0 HA2 GLY A 102 -10.500 0.767 -3.184 1.00 3.14 H new ATOM 0 HA3 GLY A 102 -11.712 2.009 -3.433 1.00 3.14 H new ATOM 1155 N ASN A 103 -10.798 2.027 -6.200 1.00 12.11 N ATOM 1156 CA ASN A 103 -10.967 1.685 -7.607 1.00 70.34 C ATOM 1157 C ASN A 103 -9.889 0.708 -8.063 1.00 61.43 C ATOM 1158 O ASN A 103 -10.183 -0.316 -8.679 1.00 14.32 O ATOM 1159 CB ASN A 103 -10.925 2.949 -8.470 1.00 5.24 C ATOM 1160 CG ASN A 103 -12.308 3.493 -8.768 1.00 32.33 C ATOM 1161 OD1 ASN A 103 -12.584 4.672 -8.547 1.00 12.13 O ATOM 1162 ND2 ASN A 103 -13.185 2.632 -9.272 1.00 1.53 N ATOM 0 H ASN A 103 -10.536 2.998 -6.030 1.00 12.11 H new ATOM 0 HA ASN A 103 -11.939 1.206 -7.724 1.00 70.34 H new ATOM 0 HB2 ASN A 103 -10.339 3.714 -7.960 1.00 5.24 H new ATOM 0 HB3 ASN A 103 -10.415 2.728 -9.408 1.00 5.24 H new ATOM 0 HD21 ASN A 103 -14.132 2.939 -9.493 1.00 1.53 H new ATOM 0 HD22 ASN A 103 -12.911 1.664 -9.439 1.00 1.53 H new ATOM 1169 N VAL A 104 -8.636 1.032 -7.757 1.00 54.13 N ATOM 1170 CA VAL A 104 -7.512 0.183 -8.133 1.00 62.31 C ATOM 1171 C VAL A 104 -7.528 -1.127 -7.353 1.00 62.35 C ATOM 1172 O VAL A 104 -7.178 -2.182 -7.884 1.00 31.01 O ATOM 1173 CB VAL A 104 -6.167 0.894 -7.896 1.00 21.04 C ATOM 1174 CG1 VAL A 104 -6.032 2.104 -8.808 1.00 33.23 C ATOM 1175 CG2 VAL A 104 -6.030 1.299 -6.435 1.00 32.31 C ATOM 0 H VAL A 104 -8.374 1.877 -7.249 1.00 54.13 H new ATOM 0 HA VAL A 104 -7.618 -0.030 -9.197 1.00 62.31 H new ATOM 0 HB VAL A 104 -5.362 0.199 -8.135 1.00 21.04 H new ATOM 0 HG11 VAL A 104 -5.075 2.593 -8.625 1.00 33.23 H new ATOM 0 HG12 VAL A 104 -6.082 1.783 -9.848 1.00 33.23 H new ATOM 0 HG13 VAL A 104 -6.842 2.805 -8.605 1.00 33.23 H new ATOM 0 HG21 VAL A 104 -5.074 1.800 -6.285 1.00 32.31 H new ATOM 0 HG22 VAL A 104 -6.841 1.977 -6.168 1.00 32.31 H new ATOM 0 HG23 VAL A 104 -6.077 0.411 -5.805 1.00 32.31 H new ATOM 1185 N LEU A 105 -7.935 -1.053 -6.091 1.00 54.32 N ATOM 1186 CA LEU A 105 -7.997 -2.232 -5.236 1.00 34.34 C ATOM 1187 C LEU A 105 -8.863 -3.318 -5.870 1.00 24.05 C ATOM 1188 O LEU A 105 -8.488 -4.491 -5.888 1.00 54.33 O ATOM 1189 CB LEU A 105 -8.550 -1.861 -3.859 1.00 73.11 C ATOM 1190 CG LEU A 105 -7.550 -1.891 -2.703 1.00 73.12 C ATOM 1191 CD1 LEU A 105 -7.281 -0.485 -2.194 1.00 45.03 C ATOM 1192 CD2 LEU A 105 -8.063 -2.779 -1.579 1.00 15.23 C ATOM 0 H LEU A 105 -8.227 -0.188 -5.637 1.00 54.32 H new ATOM 0 HA LEU A 105 -6.985 -2.620 -5.120 1.00 34.34 H new ATOM 0 HB2 LEU A 105 -8.976 -0.859 -3.919 1.00 73.11 H new ATOM 0 HB3 LEU A 105 -9.368 -2.542 -3.623 1.00 73.11 H new ATOM 0 HG LEU A 105 -6.612 -2.308 -3.069 1.00 73.12 H new ATOM 0 HD11 LEU A 105 -6.567 -0.526 -1.371 1.00 45.03 H new ATOM 0 HD12 LEU A 105 -6.870 0.122 -3.001 1.00 45.03 H new ATOM 0 HD13 LEU A 105 -8.213 -0.040 -1.844 1.00 45.03 H new ATOM 0 HD21 LEU A 105 -7.339 -2.789 -0.764 1.00 15.23 H new ATOM 0 HD22 LEU A 105 -9.014 -2.391 -1.214 1.00 15.23 H new ATOM 0 HD23 LEU A 105 -8.204 -3.793 -1.952 1.00 15.23 H new ATOM 1204 N ALA A 106 -10.018 -2.919 -6.388 1.00 23.33 N ATOM 1205 CA ALA A 106 -10.934 -3.857 -7.026 1.00 1.22 C ATOM 1206 C ALA A 106 -10.332 -4.428 -8.305 1.00 12.33 C ATOM 1207 O ALA A 106 -10.405 -5.631 -8.552 1.00 53.24 O ATOM 1208 CB ALA A 106 -12.262 -3.178 -7.323 1.00 13.55 C ATOM 0 H ALA A 106 -10.343 -1.952 -6.379 1.00 23.33 H new ATOM 0 HA ALA A 106 -11.107 -4.683 -6.337 1.00 1.22 H new ATOM 0 HB1 ALA A 106 -12.936 -3.890 -7.799 1.00 13.55 H new ATOM 0 HB2 ALA A 106 -12.706 -2.824 -6.392 1.00 13.55 H new ATOM 0 HB3 ALA A 106 -12.097 -2.332 -7.991 1.00 13.55 H new ATOM 1214 N ASN A 107 -9.739 -3.557 -9.115 1.00 3.35 N ATOM 1215 CA ASN A 107 -9.125 -3.976 -10.370 1.00 11.05 C ATOM 1216 C ASN A 107 -7.984 -4.956 -10.117 1.00 53.24 C ATOM 1217 O ASN A 107 -7.686 -5.806 -10.956 1.00 2.33 O ATOM 1218 CB ASN A 107 -8.606 -2.760 -11.138 1.00 53.13 C ATOM 1219 CG ASN A 107 -8.122 -3.118 -12.531 1.00 21.24 C ATOM 1220 OD1 ASN A 107 -8.441 -4.186 -13.054 1.00 23.11 O ATOM 1221 ND2 ASN A 107 -7.349 -2.224 -13.136 1.00 75.11 N ATOM 0 H ASN A 107 -9.671 -2.557 -8.925 1.00 3.35 H new ATOM 0 HA ASN A 107 -9.886 -4.478 -10.968 1.00 11.05 H new ATOM 0 HB2 ASN A 107 -9.398 -2.015 -11.212 1.00 53.13 H new ATOM 0 HB3 ASN A 107 -7.790 -2.302 -10.579 1.00 53.13 H new ATOM 0 HD21 ASN A 107 -6.993 -2.409 -14.074 1.00 75.11 H new ATOM 0 HD22 ASN A 107 -7.111 -1.352 -12.663 1.00 75.11 H new ATOM 1228 N SER A 108 -7.350 -4.831 -8.955 1.00 62.51 N ATOM 1229 CA SER A 108 -6.239 -5.704 -8.593 1.00 71.11 C ATOM 1230 C SER A 108 -6.750 -7.033 -8.044 1.00 5.10 C ATOM 1231 O SER A 108 -5.993 -7.995 -7.915 1.00 12.23 O ATOM 1232 CB SER A 108 -5.344 -5.019 -7.558 1.00 24.34 C ATOM 1233 OG SER A 108 -4.038 -5.573 -7.568 1.00 1.31 O ATOM 0 H SER A 108 -7.587 -4.134 -8.249 1.00 62.51 H new ATOM 0 HA SER A 108 -5.655 -5.904 -9.492 1.00 71.11 H new ATOM 0 HB2 SER A 108 -5.291 -3.951 -7.768 1.00 24.34 H new ATOM 0 HB3 SER A 108 -5.781 -5.127 -6.565 1.00 24.34 H new ATOM 0 HG SER A 108 -3.485 -5.118 -6.899 1.00 1.31 H new ATOM 1239 N GLY A 109 -8.038 -7.076 -7.720 1.00 53.10 N ATOM 1240 CA GLY A 109 -8.628 -8.291 -7.188 1.00 44.24 C ATOM 1241 C GLY A 109 -8.478 -8.396 -5.682 1.00 31.51 C ATOM 1242 O GLY A 109 -8.169 -9.466 -5.157 1.00 51.31 O ATOM 0 H GLY A 109 -8.684 -6.292 -7.816 1.00 53.10 H new ATOM 0 HA2 GLY A 109 -9.686 -8.322 -7.448 1.00 44.24 H new ATOM 0 HA3 GLY A 109 -8.159 -9.155 -7.658 1.00 44.24 H new ATOM 1327 N ALA A 116 -12.693 -7.607 4.576 1.00 25.35 N ATOM 1328 CA ALA A 116 -12.521 -6.161 4.598 1.00 0.52 C ATOM 1329 C ALA A 116 -12.128 -5.675 5.992 1.00 31.22 C ATOM 1330 O ALA A 116 -12.926 -5.046 6.686 1.00 4.05 O ATOM 1331 CB ALA A 116 -13.795 -5.470 4.139 1.00 75.25 C ATOM 0 HA ALA A 116 -11.714 -5.907 3.911 1.00 0.52 H new ATOM 0 HB1 ALA A 116 -13.651 -4.390 4.161 1.00 75.25 H new ATOM 0 HB2 ALA A 116 -14.033 -5.784 3.123 1.00 75.25 H new ATOM 0 HB3 ALA A 116 -14.615 -5.740 4.804 1.00 75.25 H new ATOM 1337 N SER A 117 -10.896 -5.973 6.391 1.00 74.10 N ATOM 1338 CA SER A 117 -10.401 -5.572 7.701 1.00 2.45 C ATOM 1339 C SER A 117 -8.893 -5.789 7.803 1.00 32.34 C ATOM 1340 O SER A 117 -8.174 -4.969 8.371 1.00 12.12 O ATOM 1341 CB SER A 117 -11.114 -6.357 8.804 1.00 12.33 C ATOM 1342 OG SER A 117 -10.463 -6.195 10.051 1.00 65.24 O ATOM 0 H SER A 117 -10.223 -6.491 5.826 1.00 74.10 H new ATOM 0 HA SER A 117 -10.609 -4.510 7.828 1.00 2.45 H new ATOM 0 HB2 SER A 117 -12.147 -6.020 8.884 1.00 12.33 H new ATOM 0 HB3 SER A 117 -11.143 -7.414 8.541 1.00 12.33 H new ATOM 0 HG SER A 117 -10.940 -6.706 10.738 1.00 65.24 H new ATOM 1348 N SER A 118 -8.423 -6.900 7.246 1.00 34.51 N ATOM 1349 CA SER A 118 -7.003 -7.229 7.274 1.00 53.42 C ATOM 1350 C SER A 118 -6.202 -6.249 6.422 1.00 11.52 C ATOM 1351 O SER A 118 -5.090 -5.862 6.782 1.00 52.21 O ATOM 1352 CB SER A 118 -6.778 -8.658 6.777 1.00 42.23 C ATOM 1353 OG SER A 118 -5.531 -8.777 6.114 1.00 42.33 O ATOM 0 H SER A 118 -9.006 -7.588 6.769 1.00 34.51 H new ATOM 0 HA SER A 118 -6.658 -7.153 8.305 1.00 53.42 H new ATOM 0 HB2 SER A 118 -6.813 -9.349 7.619 1.00 42.23 H new ATOM 0 HB3 SER A 118 -7.583 -8.941 6.099 1.00 42.23 H new ATOM 0 HG SER A 118 -5.410 -9.700 5.807 1.00 42.33 H new ATOM 1359 N ALA A 119 -6.774 -5.854 5.290 1.00 42.33 N ATOM 1360 CA ALA A 119 -6.116 -4.918 4.386 1.00 0.24 C ATOM 1361 C ALA A 119 -6.003 -3.534 5.016 1.00 60.23 C ATOM 1362 O ALA A 119 -4.946 -2.905 4.970 1.00 42.13 O ATOM 1363 CB ALA A 119 -6.869 -4.840 3.067 1.00 45.11 C ATOM 0 H ALA A 119 -7.693 -6.168 4.976 1.00 42.33 H new ATOM 0 HA ALA A 119 -5.108 -5.285 4.194 1.00 0.24 H new ATOM 0 HB1 ALA A 119 -6.366 -4.138 2.402 1.00 45.11 H new ATOM 0 HB2 ALA A 119 -6.892 -5.826 2.603 1.00 45.11 H new ATOM 0 HB3 ALA A 119 -7.889 -4.501 3.250 1.00 45.11 H new ATOM 1369 N ALA A 120 -7.098 -3.065 5.604 1.00 63.15 N ATOM 1370 CA ALA A 120 -7.122 -1.756 6.244 1.00 45.44 C ATOM 1371 C ALA A 120 -6.063 -1.661 7.337 1.00 4.12 C ATOM 1372 O ALA A 120 -5.396 -0.636 7.484 1.00 55.31 O ATOM 1373 CB ALA A 120 -8.502 -1.471 6.816 1.00 32.51 C ATOM 0 H ALA A 120 -7.981 -3.573 5.650 1.00 63.15 H new ATOM 0 HA ALA A 120 -6.895 -1.005 5.487 1.00 45.44 H new ATOM 0 HB1 ALA A 120 -8.504 -0.490 7.291 1.00 32.51 H new ATOM 0 HB2 ALA A 120 -9.239 -1.487 6.013 1.00 32.51 H new ATOM 0 HB3 ALA A 120 -8.754 -2.232 7.555 1.00 32.51 H new ATOM 1379 N SER A 121 -5.914 -2.737 8.105 1.00 1.41 N ATOM 1380 CA SER A 121 -4.940 -2.772 9.189 1.00 23.15 C ATOM 1381 C SER A 121 -3.531 -2.510 8.664 1.00 73.11 C ATOM 1382 O SER A 121 -2.714 -1.878 9.334 1.00 60.34 O ATOM 1383 CB SER A 121 -4.986 -4.126 9.901 1.00 21.13 C ATOM 1384 OG SER A 121 -4.050 -4.176 10.963 1.00 21.11 O ATOM 0 H SER A 121 -6.455 -3.595 7.996 1.00 1.41 H new ATOM 0 HA SER A 121 -5.197 -1.986 9.899 1.00 23.15 H new ATOM 0 HB2 SER A 121 -5.990 -4.303 10.288 1.00 21.13 H new ATOM 0 HB3 SER A 121 -4.774 -4.923 9.188 1.00 21.13 H new ATOM 0 HG SER A 121 -4.100 -5.050 11.403 1.00 21.11 H new ATOM 1390 N SER A 122 -3.255 -3.001 7.459 1.00 4.14 N ATOM 1391 CA SER A 122 -1.945 -2.824 6.844 1.00 34.25 C ATOM 1392 C SER A 122 -1.683 -1.353 6.537 1.00 13.54 C ATOM 1393 O SER A 122 -0.676 -0.788 6.960 1.00 31.24 O ATOM 1394 CB SER A 122 -1.846 -3.649 5.560 1.00 11.32 C ATOM 1395 OG SER A 122 -2.445 -4.924 5.726 1.00 24.12 O ATOM 0 H SER A 122 -3.921 -3.524 6.890 1.00 4.14 H new ATOM 0 HA SER A 122 -1.190 -3.170 7.550 1.00 34.25 H new ATOM 0 HB2 SER A 122 -2.335 -3.117 4.744 1.00 11.32 H new ATOM 0 HB3 SER A 122 -0.799 -3.769 5.281 1.00 11.32 H new ATOM 0 HG SER A 122 -3.400 -4.867 5.514 1.00 24.12 H new ATOM 1401 N ALA A 123 -2.600 -0.737 5.796 1.00 51.50 N ATOM 1402 CA ALA A 123 -2.472 0.669 5.434 1.00 64.11 C ATOM 1403 C ALA A 123 -2.413 1.553 6.675 1.00 74.43 C ATOM 1404 O ALA A 123 -1.577 2.451 6.770 1.00 12.24 O ATOM 1405 CB ALA A 123 -3.625 1.090 4.536 1.00 44.54 C ATOM 0 H ALA A 123 -3.439 -1.191 5.435 1.00 51.50 H new ATOM 0 HA ALA A 123 -1.537 0.794 4.888 1.00 64.11 H new ATOM 0 HB1 ALA A 123 -3.516 2.142 4.274 1.00 44.54 H new ATOM 0 HB2 ALA A 123 -3.618 0.487 3.628 1.00 44.54 H new ATOM 0 HB3 ALA A 123 -4.568 0.943 5.062 1.00 44.54 H new ATOM 1411 N ALA A 124 -3.309 1.294 7.622 1.00 4.41 N ATOM 1412 CA ALA A 124 -3.359 2.066 8.857 1.00 23.22 C ATOM 1413 C ALA A 124 -2.124 1.811 9.714 1.00 23.32 C ATOM 1414 O ALA A 124 -1.688 2.683 10.466 1.00 4.33 O ATOM 1415 CB ALA A 124 -4.621 1.732 9.638 1.00 23.35 C ATOM 0 H ALA A 124 -4.010 0.556 7.557 1.00 4.41 H new ATOM 0 HA ALA A 124 -3.376 3.124 8.594 1.00 23.22 H new ATOM 0 HB1 ALA A 124 -4.645 2.316 10.558 1.00 23.35 H new ATOM 0 HB2 ALA A 124 -5.496 1.970 9.034 1.00 23.35 H new ATOM 0 HB3 ALA A 124 -4.627 0.670 9.882 1.00 23.35 H new ATOM 1421 N SER A 125 -1.563 0.612 9.594 1.00 44.51 N ATOM 1422 CA SER A 125 -0.379 0.243 10.362 1.00 22.33 C ATOM 1423 C SER A 125 0.781 1.187 10.061 1.00 12.23 C ATOM 1424 O SER A 125 1.569 1.521 10.946 1.00 40.44 O ATOM 1425 CB SER A 125 0.027 -1.199 10.049 1.00 63.30 C ATOM 1426 OG SER A 125 -0.365 -2.078 11.089 1.00 61.02 O ATOM 0 H SER A 125 -1.909 -0.120 8.973 1.00 44.51 H new ATOM 0 HA SER A 125 -0.623 0.323 11.421 1.00 22.33 H new ATOM 0 HB2 SER A 125 -0.431 -1.513 9.111 1.00 63.30 H new ATOM 0 HB3 SER A 125 1.107 -1.254 9.910 1.00 63.30 H new ATOM 0 HG SER A 125 -1.284 -2.381 10.932 1.00 61.02 H new ATOM 1432 N SER A 126 0.879 1.613 8.806 1.00 21.34 N ATOM 1433 CA SER A 126 1.944 2.516 8.386 1.00 72.22 C ATOM 1434 C SER A 126 1.785 3.885 9.041 1.00 31.31 C ATOM 1435 O SER A 126 2.752 4.463 9.539 1.00 72.21 O ATOM 1436 CB SER A 126 1.945 2.664 6.863 1.00 14.32 C ATOM 1437 OG SER A 126 2.478 1.509 6.239 1.00 64.24 O ATOM 0 H SER A 126 0.234 1.347 8.062 1.00 21.34 H new ATOM 0 HA SER A 126 2.895 2.089 8.703 1.00 72.22 H new ATOM 0 HB2 SER A 126 0.928 2.835 6.510 1.00 14.32 H new ATOM 0 HB3 SER A 126 2.532 3.538 6.580 1.00 14.32 H new ATOM 0 HG SER A 126 3.041 1.776 5.483 1.00 64.24 H new ATOM 1443 N VAL A 127 0.558 4.397 9.037 1.00 11.44 N ATOM 1444 CA VAL A 127 0.271 5.696 9.632 1.00 44.35 C ATOM 1445 C VAL A 127 0.383 5.643 11.151 1.00 5.24 C ATOM 1446 O VAL A 127 0.938 6.548 11.777 1.00 61.42 O ATOM 1447 CB VAL A 127 -1.137 6.191 9.249 1.00 32.15 C ATOM 1448 CG1 VAL A 127 -1.581 7.310 10.177 1.00 13.44 C ATOM 1449 CG2 VAL A 127 -1.164 6.647 7.798 1.00 51.41 C ATOM 0 H VAL A 127 -0.252 3.932 8.628 1.00 11.44 H new ATOM 0 HA VAL A 127 1.012 6.393 9.241 1.00 44.35 H new ATOM 0 HB VAL A 127 -1.837 5.363 9.359 1.00 32.15 H new ATOM 0 HG11 VAL A 127 -2.577 7.646 9.891 1.00 13.44 H new ATOM 0 HG12 VAL A 127 -1.602 6.944 11.204 1.00 13.44 H new ATOM 0 HG13 VAL A 127 -0.882 8.143 10.103 1.00 13.44 H new ATOM 0 HG21 VAL A 127 -2.166 6.993 7.544 1.00 51.41 H new ATOM 0 HG22 VAL A 127 -0.452 7.461 7.659 1.00 51.41 H new ATOM 0 HG23 VAL A 127 -0.893 5.814 7.150 1.00 51.41 H new ATOM 1459 N THR A 128 -0.146 4.575 11.740 1.00 11.44 N ATOM 1460 CA THR A 128 -0.107 4.404 13.188 1.00 64.13 C ATOM 1461 C THR A 128 1.321 4.495 13.713 1.00 4.22 C ATOM 1462 O THR A 128 1.589 5.174 14.706 1.00 54.01 O ATOM 1463 CB THR A 128 -0.711 3.052 13.610 1.00 22.45 C ATOM 1464 OG1 THR A 128 -0.051 1.983 12.923 1.00 22.11 O ATOM 1465 CG2 THR A 128 -2.203 3.008 13.309 1.00 44.34 C ATOM 0 H THR A 128 -0.606 3.816 11.237 1.00 11.44 H new ATOM 0 HA THR A 128 -0.702 5.210 13.618 1.00 64.13 H new ATOM 0 HB THR A 128 -0.568 2.936 14.684 1.00 22.45 H new ATOM 0 HG1 THR A 128 0.451 2.344 12.163 1.00 22.11 H new ATOM 0 HG21 THR A 128 -2.608 2.043 13.616 1.00 44.34 H new ATOM 0 HG22 THR A 128 -2.708 3.804 13.856 1.00 44.34 H new ATOM 0 HG23 THR A 128 -2.363 3.145 12.239 1.00 44.34 H new ATOM 1473 N THR A 129 2.239 3.804 13.042 1.00 64.12 N ATOM 1474 CA THR A 129 3.640 3.806 13.442 1.00 43.33 C ATOM 1475 C THR A 129 4.293 5.154 13.151 1.00 13.53 C ATOM 1476 O THR A 129 5.002 5.706 13.993 1.00 44.01 O ATOM 1477 CB THR A 129 4.432 2.700 12.721 1.00 45.33 C ATOM 1478 OG1 THR A 129 3.608 1.542 12.545 1.00 14.31 O ATOM 1479 CG2 THR A 129 5.679 2.325 13.508 1.00 64.51 C ATOM 0 H THR A 129 2.036 3.236 12.219 1.00 64.12 H new ATOM 0 HA THR A 129 3.662 3.618 14.515 1.00 43.33 H new ATOM 0 HB THR A 129 4.737 3.080 11.746 1.00 45.33 H new ATOM 0 HG1 THR A 129 3.065 1.647 11.736 1.00 14.31 H new ATOM 0 HG21 THR A 129 6.222 1.542 12.978 1.00 64.51 H new ATOM 0 HG22 THR A 129 6.319 3.201 13.615 1.00 64.51 H new ATOM 0 HG23 THR A 129 5.391 1.963 14.495 1.00 64.51 H new ATOM 1487 N THR A 130 4.050 5.679 11.955 1.00 71.13 N ATOM 1488 CA THR A 130 4.613 6.961 11.552 1.00 24.42 C ATOM 1489 C THR A 130 3.897 8.117 12.242 1.00 23.10 C ATOM 1490 O THR A 130 2.833 7.937 12.833 1.00 23.33 O ATOM 1491 CB THR A 130 4.533 7.157 10.027 1.00 2.30 C ATOM 1492 OG1 THR A 130 3.176 7.023 9.588 1.00 53.40 O ATOM 1493 CG2 THR A 130 5.407 6.145 9.304 1.00 22.43 C ATOM 0 H THR A 130 3.466 5.235 11.247 1.00 71.13 H new ATOM 0 HA THR A 130 5.660 6.955 11.854 1.00 24.42 H new ATOM 0 HB THR A 130 4.895 8.158 9.792 1.00 2.30 H new ATOM 0 HG1 THR A 130 2.984 7.701 8.907 1.00 53.40 H new ATOM 0 HG21 THR A 130 5.334 6.304 8.228 1.00 22.43 H new ATOM 0 HG22 THR A 130 6.443 6.268 9.619 1.00 22.43 H new ATOM 0 HG23 THR A 130 5.072 5.136 9.546 1.00 22.43 H new ATOM 1501 N LEU A 131 4.487 9.305 12.160 1.00 24.02 N ATOM 1502 CA LEU A 131 3.904 10.491 12.775 1.00 45.41 C ATOM 1503 C LEU A 131 4.142 10.497 14.282 1.00 53.01 C ATOM 1504 O LEU A 131 4.337 11.552 14.888 1.00 60.54 O ATOM 1505 CB LEU A 131 2.403 10.556 12.484 1.00 52.01 C ATOM 1506 CG LEU A 131 1.477 10.309 13.675 1.00 25.03 C ATOM 1507 CD1 LEU A 131 1.351 11.564 14.524 1.00 63.43 C ATOM 1508 CD2 LEU A 131 0.108 9.845 13.200 1.00 20.31 C ATOM 0 H LEU A 131 5.368 9.472 11.674 1.00 24.02 H new ATOM 0 HA LEU A 131 4.389 11.368 12.346 1.00 45.41 H new ATOM 0 HB2 LEU A 131 2.176 11.539 12.070 1.00 52.01 H new ATOM 0 HB3 LEU A 131 2.171 9.823 11.711 1.00 52.01 H new ATOM 0 HG LEU A 131 1.912 9.521 14.290 1.00 25.03 H new ATOM 0 HD11 LEU A 131 0.688 11.368 15.367 1.00 63.43 H new ATOM 0 HD12 LEU A 131 2.334 11.852 14.895 1.00 63.43 H new ATOM 0 HD13 LEU A 131 0.940 12.373 13.919 1.00 63.43 H new ATOM 0 HD21 LEU A 131 -0.537 9.674 14.062 1.00 20.31 H new ATOM 0 HD22 LEU A 131 -0.334 10.610 12.561 1.00 20.31 H new ATOM 0 HD23 LEU A 131 0.213 8.918 12.636 1.00 20.31 H new ATOM 1520 N THR A 132 4.126 9.311 14.882 1.00 12.14 N ATOM 1521 CA THR A 132 4.340 9.178 16.318 1.00 24.22 C ATOM 1522 C THR A 132 5.737 8.646 16.619 1.00 72.10 C ATOM 1523 O THR A 132 6.373 9.058 17.588 1.00 63.42 O ATOM 1524 CB THR A 132 3.297 8.241 16.958 1.00 63.04 C ATOM 1525 OG1 THR A 132 3.401 6.932 16.389 1.00 41.25 O ATOM 1526 CG2 THR A 132 1.890 8.780 16.755 1.00 72.43 C ATOM 0 H THR A 132 3.967 8.429 14.396 1.00 12.14 H new ATOM 0 HA THR A 132 4.233 10.175 16.747 1.00 24.22 H new ATOM 0 HB THR A 132 3.496 8.187 18.028 1.00 63.04 H new ATOM 0 HG1 THR A 132 2.577 6.720 15.903 1.00 41.25 H new ATOM 0 HG21 THR A 132 1.171 8.102 17.215 1.00 72.43 H new ATOM 0 HG22 THR A 132 1.807 9.764 17.216 1.00 72.43 H new ATOM 0 HG23 THR A 132 1.682 8.861 15.688 1.00 72.43 H new ATOM 1534 N SER A 133 6.208 7.728 15.781 1.00 64.43 N ATOM 1535 CA SER A 133 7.530 7.136 15.957 1.00 54.42 C ATOM 1536 C SER A 133 8.625 8.156 15.661 1.00 1.01 C ATOM 1537 O SER A 133 9.528 8.367 16.471 1.00 41.43 O ATOM 1538 CB SER A 133 7.692 5.917 15.048 1.00 55.32 C ATOM 1539 OG SER A 133 8.961 5.313 15.227 1.00 70.43 O ATOM 0 H SER A 133 5.694 7.378 14.973 1.00 64.43 H new ATOM 0 HA SER A 133 7.624 6.819 16.996 1.00 54.42 H new ATOM 0 HB2 SER A 133 6.907 5.192 15.263 1.00 55.32 H new ATOM 0 HB3 SER A 133 7.572 6.217 14.007 1.00 55.32 H new ATOM 0 HG SER A 133 9.557 5.581 14.497 1.00 70.43 H new ATOM 1545 N TYR A 134 8.538 8.785 14.494 1.00 44.44 N ATOM 1546 CA TYR A 134 9.523 9.781 14.088 1.00 53.11 C ATOM 1547 C TYR A 134 8.984 11.194 14.287 1.00 31.02 C ATOM 1548 O TYR A 134 9.746 12.150 14.408 1.00 45.45 O ATOM 1549 CB TYR A 134 9.914 9.574 12.623 1.00 10.44 C ATOM 1550 CG TYR A 134 10.188 8.130 12.268 1.00 53.42 C ATOM 1551 CD1 TYR A 134 11.169 7.405 12.930 1.00 21.25 C ATOM 1552 CD2 TYR A 134 9.462 7.491 11.269 1.00 2.52 C ATOM 1553 CE1 TYR A 134 11.421 6.085 12.608 1.00 43.02 C ATOM 1554 CE2 TYR A 134 9.707 6.172 10.941 1.00 64.34 C ATOM 1555 CZ TYR A 134 10.689 5.473 11.613 1.00 32.22 C ATOM 1556 OH TYR A 134 10.936 4.159 11.289 1.00 1.54 O ATOM 0 H TYR A 134 7.796 8.623 13.813 1.00 44.44 H new ATOM 0 HA TYR A 134 10.406 9.657 14.715 1.00 53.11 H new ATOM 0 HB2 TYR A 134 9.114 9.951 11.985 1.00 10.44 H new ATOM 0 HB3 TYR A 134 10.802 10.168 12.405 1.00 10.44 H new ATOM 0 HD1 TYR A 134 11.745 7.880 13.710 1.00 21.25 H new ATOM 0 HD2 TYR A 134 8.693 8.035 10.741 1.00 2.52 H new ATOM 0 HE1 TYR A 134 12.188 5.535 13.133 1.00 43.02 H new ATOM 0 HE2 TYR A 134 9.133 5.690 10.163 1.00 64.34 H new ATOM 0 HH TYR A 134 10.333 3.881 10.569 1.00 1.54 H new ATOM 1566 N GLY A 135 7.660 11.316 14.320 1.00 30.21 N ATOM 1567 CA GLY A 135 7.039 12.614 14.505 1.00 32.53 C ATOM 1568 C GLY A 135 6.226 13.045 13.301 1.00 33.31 C ATOM 1569 O GLY A 135 6.363 12.500 12.205 1.00 21.51 O ATOM 0 H GLY A 135 7.007 10.539 14.222 1.00 30.21 H new ATOM 0 HA2 GLY A 135 6.394 12.583 15.383 1.00 32.53 H new ATOM 0 HA3 GLY A 135 7.811 13.358 14.703 1.00 32.53 H new ATOM 1573 N PRO A 136 5.355 14.046 13.496 1.00 11.52 N ATOM 1574 CA PRO A 136 4.500 14.570 12.428 1.00 50.31 C ATOM 1575 C PRO A 136 5.292 15.337 11.375 1.00 51.33 C ATOM 1576 O PRO A 136 5.139 15.101 10.176 1.00 2.10 O ATOM 1577 CB PRO A 136 3.546 15.513 13.169 1.00 73.55 C ATOM 1578 CG PRO A 136 4.291 15.923 14.391 1.00 0.01 C ATOM 1579 CD PRO A 136 5.138 14.742 14.776 1.00 34.01 C ATOM 0 HA PRO A 136 3.996 13.773 11.881 1.00 50.31 H new ATOM 0 HB2 PRO A 136 3.287 16.376 12.555 1.00 73.55 H new ATOM 0 HB3 PRO A 136 2.613 15.011 13.424 1.00 73.55 H new ATOM 0 HG2 PRO A 136 4.909 16.799 14.195 1.00 0.01 H new ATOM 0 HG3 PRO A 136 3.605 16.190 15.195 1.00 0.01 H new ATOM 0 HD2 PRO A 136 6.079 15.053 15.229 1.00 34.01 H new ATOM 0 HD3 PRO A 136 4.632 14.103 15.500 1.00 34.01 H new ATOM 1587 N ALA A 137 6.139 16.255 11.829 1.00 50.11 N ATOM 1588 CA ALA A 137 6.958 17.054 10.925 1.00 34.11 C ATOM 1589 C ALA A 137 7.771 16.165 9.991 1.00 22.24 C ATOM 1590 O ALA A 137 8.138 16.573 8.890 1.00 53.55 O ATOM 1591 CB ALA A 137 7.875 17.972 11.717 1.00 11.21 C ATOM 0 H ALA A 137 6.276 16.464 12.818 1.00 50.11 H new ATOM 0 HA ALA A 137 6.293 17.664 10.314 1.00 34.11 H new ATOM 0 HB1 ALA A 137 8.481 18.563 11.030 1.00 11.21 H new ATOM 0 HB2 ALA A 137 7.275 18.639 12.337 1.00 11.21 H new ATOM 0 HB3 ALA A 137 8.527 17.374 12.353 1.00 11.21 H new ATOM 1597 N VAL A 138 8.053 14.945 10.439 1.00 15.43 N ATOM 1598 CA VAL A 138 8.824 13.997 9.644 1.00 41.15 C ATOM 1599 C VAL A 138 8.111 13.670 8.337 1.00 71.44 C ATOM 1600 O VAL A 138 8.746 13.306 7.346 1.00 31.52 O ATOM 1601 CB VAL A 138 9.078 12.690 10.419 1.00 45.12 C ATOM 1602 CG1 VAL A 138 9.725 11.652 9.516 1.00 21.50 C ATOM 1603 CG2 VAL A 138 9.943 12.956 11.641 1.00 12.32 C ATOM 0 H VAL A 138 7.759 14.590 11.349 1.00 15.43 H new ATOM 0 HA VAL A 138 9.780 14.471 9.424 1.00 41.15 H new ATOM 0 HB VAL A 138 8.120 12.297 10.758 1.00 45.12 H new ATOM 0 HG11 VAL A 138 9.897 10.735 10.080 1.00 21.50 H new ATOM 0 HG12 VAL A 138 9.066 11.441 8.674 1.00 21.50 H new ATOM 0 HG13 VAL A 138 10.676 12.034 9.146 1.00 21.50 H new ATOM 0 HG21 VAL A 138 10.113 12.022 12.177 1.00 12.32 H new ATOM 0 HG22 VAL A 138 10.900 13.372 11.326 1.00 12.32 H new ATOM 0 HG23 VAL A 138 9.438 13.664 12.297 1.00 12.32 H new ATOM 1613 N PHE A 139 6.789 13.803 8.340 1.00 1.13 N ATOM 1614 CA PHE A 139 5.989 13.520 7.154 1.00 12.41 C ATOM 1615 C PHE A 139 6.042 14.686 6.172 1.00 63.34 C ATOM 1616 O PHE A 139 5.894 14.501 4.963 1.00 51.41 O ATOM 1617 CB PHE A 139 4.537 13.236 7.547 1.00 3.31 C ATOM 1618 CG PHE A 139 4.180 11.777 7.505 1.00 53.21 C ATOM 1619 CD1 PHE A 139 4.395 11.031 6.359 1.00 30.32 C ATOM 1620 CD2 PHE A 139 3.629 11.154 8.613 1.00 54.43 C ATOM 1621 CE1 PHE A 139 4.066 9.689 6.318 1.00 65.13 C ATOM 1622 CE2 PHE A 139 3.297 9.812 8.577 1.00 1.15 C ATOM 1623 CZ PHE A 139 3.517 9.078 7.429 1.00 44.03 C ATOM 0 H PHE A 139 6.249 14.105 9.151 1.00 1.13 H new ATOM 0 HA PHE A 139 6.406 12.638 6.668 1.00 12.41 H new ATOM 0 HB2 PHE A 139 4.360 13.617 8.553 1.00 3.31 H new ATOM 0 HB3 PHE A 139 3.874 13.784 6.878 1.00 3.31 H new ATOM 0 HD1 PHE A 139 4.824 11.503 5.487 1.00 30.32 H new ATOM 0 HD2 PHE A 139 3.457 11.723 9.515 1.00 54.43 H new ATOM 0 HE1 PHE A 139 4.238 9.118 5.418 1.00 65.13 H new ATOM 0 HE2 PHE A 139 2.866 9.339 9.447 1.00 1.15 H new ATOM 0 HZ PHE A 139 3.261 8.029 7.399 1.00 44.03 H new ATOM 1633 N TYR A 140 6.255 15.887 6.699 1.00 1.11 N ATOM 1634 CA TYR A 140 6.326 17.084 5.870 1.00 55.12 C ATOM 1635 C TYR A 140 7.334 16.905 4.739 1.00 44.11 C ATOM 1636 O TYR A 140 7.057 17.237 3.588 1.00 65.02 O ATOM 1637 CB TYR A 140 6.706 18.297 6.720 1.00 1.43 C ATOM 1638 CG TYR A 140 5.739 19.452 6.593 1.00 15.05 C ATOM 1639 CD1 TYR A 140 4.502 19.422 7.227 1.00 72.41 C ATOM 1640 CD2 TYR A 140 6.060 20.573 5.839 1.00 65.35 C ATOM 1641 CE1 TYR A 140 3.616 20.474 7.113 1.00 52.51 C ATOM 1642 CE2 TYR A 140 5.180 21.632 5.721 1.00 61.43 C ATOM 1643 CZ TYR A 140 3.959 21.578 6.359 1.00 31.30 C ATOM 1644 OH TYR A 140 3.079 22.630 6.243 1.00 30.23 O ATOM 0 H TYR A 140 6.381 16.057 7.697 1.00 1.11 H new ATOM 0 HA TYR A 140 5.342 17.250 5.432 1.00 55.12 H new ATOM 0 HB2 TYR A 140 6.762 17.994 7.766 1.00 1.43 H new ATOM 0 HB3 TYR A 140 7.702 18.634 6.432 1.00 1.43 H new ATOM 0 HD1 TYR A 140 4.230 18.561 7.819 1.00 72.41 H new ATOM 0 HD2 TYR A 140 7.015 20.618 5.336 1.00 65.35 H new ATOM 0 HE1 TYR A 140 2.659 20.434 7.611 1.00 52.51 H new ATOM 0 HE2 TYR A 140 5.447 22.497 5.132 1.00 61.43 H new ATOM 0 HH TYR A 140 3.475 23.327 5.679 1.00 30.23 H new ATOM 1654 N ALA A 141 8.506 16.378 5.078 1.00 1.20 N ATOM 1655 CA ALA A 141 9.557 16.152 4.093 1.00 72.33 C ATOM 1656 C ALA A 141 10.578 15.141 4.602 1.00 53.22 C ATOM 1657 O ALA A 141 11.700 15.489 4.971 1.00 31.14 O ATOM 1658 CB ALA A 141 10.240 17.465 3.740 1.00 15.22 C ATOM 0 H ALA A 141 8.752 16.099 6.028 1.00 1.20 H new ATOM 0 HA ALA A 141 9.097 15.742 3.194 1.00 72.33 H new ATOM 0 HB1 ALA A 141 11.023 17.282 3.004 1.00 15.22 H new ATOM 0 HB2 ALA A 141 9.507 18.157 3.326 1.00 15.22 H new ATOM 0 HB3 ALA A 141 10.681 17.899 4.638 1.00 15.22 H new