USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 694 hydrogens (29 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 84 ASN : amide:sc= -0.806 X(o=-0.22,f=-0.45) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.582 X(o=-0.22,f=-0.45) USER MOD Set 2.1: A 56 MET CE :methyl 165:sc= -1.59 (180deg=-2.17) USER MOD Set 2.2: A 75 TYR OH : rot -140:sc= 0 USER MOD Set 3.1: A 64 LYS NZ :NH3+ 136:sc= -0.15 (180deg=-1.76!) USER MOD Set 3.2: A 65 ASN : amide:sc= 1.33 K(o=1.2,f=-6.8!) USER MOD Set 4.1: A 44 ASN : amide:sc= 0.142 K(o=-0.28,f=-4.6!) USER MOD Set 4.2: A 47 GLN : amide:sc= -0.418 K(o=-0.28,f=-7.7!) USER MOD Set 5.1: A 40 HIS : no HE2:sc= 0.872 K(o=1.9,f=-2.6!) USER MOD Set 5.2: A 43 SER OG : rot 62:sc= 1.07 USER MOD Set 6.1: A 35 THR OG1 : rot 180:sc=-0.00221 USER MOD Set 6.2: A 38 GLN : amide:sc=-0.00521 X(o=-0.0074,f=0.45) USER MOD Set 7.1: A 15 ASN : amide:sc= 0.689 K(o=1.5,f=-11!) USER MOD Set 7.2: A 17 HIS : no HD1:sc= -0.865! C(o=1.5!,f=-5.6!) USER MOD Set 7.3: A 67 TYR OH : rot 135:sc= 1.63 USER MOD Single : A 21 TYR OH : rot -158:sc= 0.431 USER MOD Single : A 22 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.2!) USER MOD Single : A 23 GLN : amide:sc= -2.08! K(o=-2.1!,f=-0.11) USER MOD Single : A 30 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.5!) USER MOD Single : A 33 ASN : amide:sc= 0.582 K(o=0.58,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.606 K(o=-0.61,f=-5.4!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 87 MET CE :methyl 170:sc= -1.12 (180deg=-1.82) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 2.645 8.215 -0.286 1.00 50.22 N ATOM 2 CA ASP A 14 3.622 7.286 0.290 1.00 14.22 C ATOM 3 C ASP A 14 4.737 7.169 -0.725 1.00 14.15 C ATOM 4 O ASP A 14 4.828 8.020 -1.610 1.00 70.33 O ATOM 5 CB ASP A 14 2.956 5.923 0.478 1.00 71.21 C ATOM 6 CG ASP A 14 2.586 5.315 -0.848 1.00 72.02 C ATOM 7 OD1 ASP A 14 2.027 6.040 -1.697 1.00 75.45 O ATOM 8 OD2 ASP A 14 2.923 4.171 -1.089 1.00 42.14 O ATOM 0 HA ASP A 14 3.996 7.630 1.254 1.00 14.22 H new ATOM 0 HB2 ASP A 14 3.632 5.255 1.012 1.00 71.21 H new ATOM 0 HB3 ASP A 14 2.063 6.033 1.094 1.00 71.21 H new ATOM 13 N ASN A 15 5.569 6.159 -0.616 1.00 45.43 N ATOM 14 CA ASN A 15 6.637 5.971 -1.573 1.00 14.04 C ATOM 15 C ASN A 15 6.170 4.970 -2.617 1.00 63.21 C ATOM 16 O ASN A 15 6.032 3.781 -2.350 1.00 53.25 O ATOM 17 CB ASN A 15 7.933 5.502 -0.882 1.00 53.11 C ATOM 18 CG ASN A 15 9.140 5.413 -1.820 1.00 64.33 C ATOM 19 OD1 ASN A 15 9.004 5.220 -3.016 1.00 73.33 O ATOM 20 ND2 ASN A 15 10.321 5.528 -1.277 1.00 23.41 N ATOM 0 H ASN A 15 5.528 5.457 0.123 1.00 45.43 H new ATOM 0 HA ASN A 15 6.871 6.920 -2.055 1.00 14.04 H new ATOM 0 HB2 ASN A 15 8.168 6.188 -0.068 1.00 53.11 H new ATOM 0 HB3 ASN A 15 7.761 4.523 -0.434 1.00 53.11 H new ATOM 0 HD21 ASN A 15 11.158 5.457 -1.856 1.00 23.41 H new ATOM 0 HD22 ASN A 15 10.407 5.689 -0.274 1.00 23.41 H new ATOM 27 N ARG A 16 5.944 5.471 -3.801 1.00 44.30 N ATOM 28 CA ARG A 16 5.400 4.690 -4.896 1.00 11.22 C ATOM 29 C ARG A 16 6.459 3.830 -5.575 1.00 42.44 C ATOM 30 O ARG A 16 6.141 2.972 -6.387 1.00 0.54 O ATOM 31 CB ARG A 16 4.746 5.625 -5.906 1.00 33.45 C ATOM 32 CG ARG A 16 3.554 6.420 -5.361 1.00 63.15 C ATOM 33 CD ARG A 16 2.295 5.546 -5.161 1.00 63.14 C ATOM 34 NE ARG A 16 2.411 4.585 -4.054 1.00 73.30 N ATOM 35 CZ ARG A 16 2.299 3.250 -4.138 1.00 4.10 C ATOM 36 NH1 ARG A 16 2.060 2.655 -5.316 1.00 21.15 N ATOM 37 NH2 ARG A 16 2.422 2.523 -3.041 1.00 43.53 N ATOM 0 H ARG A 16 6.132 6.444 -4.043 1.00 44.30 H new ATOM 0 HA ARG A 16 4.656 4.008 -4.485 1.00 11.22 H new ATOM 0 HB2 ARG A 16 5.497 6.326 -6.272 1.00 33.45 H new ATOM 0 HB3 ARG A 16 4.414 5.038 -6.762 1.00 33.45 H new ATOM 0 HG2 ARG A 16 3.830 6.875 -4.410 1.00 63.15 H new ATOM 0 HG3 ARG A 16 3.321 7.234 -6.048 1.00 63.15 H new ATOM 0 HD2 ARG A 16 1.439 6.195 -4.978 1.00 63.14 H new ATOM 0 HD3 ARG A 16 2.092 5.001 -6.083 1.00 63.14 H new ATOM 0 HE ARG A 16 2.595 4.972 -3.128 1.00 73.30 H new ATOM 0 HH11 ARG A 16 1.961 3.218 -6.161 1.00 21.15 H new ATOM 0 HH12 ARG A 16 1.977 1.640 -5.367 1.00 21.15 H new ATOM 0 HH21 ARG A 16 2.600 2.977 -2.145 1.00 43.53 H new ATOM 0 HH22 ARG A 16 2.339 1.508 -3.090 1.00 43.53 H new ATOM 51 N HIS A 17 7.701 4.030 -5.209 1.00 70.14 N ATOM 52 CA HIS A 17 8.816 3.301 -5.802 1.00 14.31 C ATOM 53 C HIS A 17 8.883 1.891 -5.307 1.00 35.42 C ATOM 54 O HIS A 17 9.540 1.048 -5.888 1.00 71.52 O ATOM 55 CB HIS A 17 10.132 4.043 -5.689 1.00 21.13 C ATOM 56 CG HIS A 17 10.056 5.360 -6.376 1.00 71.25 C ATOM 57 ND1 HIS A 17 10.450 6.540 -5.812 1.00 21.25 N ATOM 58 CD2 HIS A 17 9.569 5.665 -7.604 1.00 31.30 C ATOM 59 CE1 HIS A 17 10.192 7.523 -6.681 1.00 32.12 C ATOM 60 NE2 HIS A 17 9.655 7.042 -7.791 1.00 64.44 N ATOM 0 H HIS A 17 7.977 4.701 -4.492 1.00 70.14 H new ATOM 0 HA HIS A 17 8.620 3.239 -6.872 1.00 14.31 H new ATOM 0 HB2 HIS A 17 10.383 4.190 -4.638 1.00 21.13 H new ATOM 0 HB3 HIS A 17 10.931 3.445 -6.127 1.00 21.13 H new ATOM 0 HD2 HIS A 17 9.179 4.956 -8.319 1.00 31.30 H new ATOM 0 HE1 HIS A 17 10.395 8.569 -6.501 1.00 32.12 H new ATOM 0 HE2 HIS A 17 9.364 7.571 -8.613 1.00 64.44 H new ATOM 68 N ALA A 18 8.224 1.634 -4.204 1.00 63.03 N ATOM 69 CA ALA A 18 8.078 0.282 -3.729 1.00 52.02 C ATOM 70 C ALA A 18 7.224 -0.545 -4.732 1.00 20.50 C ATOM 71 O ALA A 18 7.204 -1.762 -4.692 1.00 32.21 O ATOM 72 CB ALA A 18 7.503 0.261 -2.340 1.00 31.53 C ATOM 0 H ALA A 18 7.781 2.343 -3.620 1.00 63.03 H new ATOM 0 HA ALA A 18 9.062 -0.184 -3.669 1.00 52.02 H new ATOM 0 HB1 ALA A 18 7.402 -0.771 -2.003 1.00 31.53 H new ATOM 0 HB2 ALA A 18 8.166 0.800 -1.664 1.00 31.53 H new ATOM 0 HB3 ALA A 18 6.523 0.738 -2.345 1.00 31.53 H new ATOM 78 N ALA A 19 6.508 0.151 -5.628 1.00 41.31 N ATOM 79 CA ALA A 19 5.799 -0.515 -6.708 1.00 4.24 C ATOM 80 C ALA A 19 6.778 -0.782 -7.851 1.00 43.54 C ATOM 81 O ALA A 19 6.694 -1.806 -8.511 1.00 24.34 O ATOM 82 CB ALA A 19 4.617 0.308 -7.190 1.00 2.23 C ATOM 0 H ALA A 19 6.411 1.166 -5.619 1.00 41.31 H new ATOM 0 HA ALA A 19 5.398 -1.459 -6.339 1.00 4.24 H new ATOM 0 HB1 ALA A 19 4.111 -0.221 -7.998 1.00 2.23 H new ATOM 0 HB2 ALA A 19 3.921 0.463 -6.365 1.00 2.23 H new ATOM 0 HB3 ALA A 19 4.970 1.273 -7.553 1.00 2.23 H new ATOM 88 N ASP A 20 7.727 0.161 -8.048 1.00 10.22 N ATOM 89 CA ASP A 20 8.835 0.018 -9.030 1.00 4.34 C ATOM 90 C ASP A 20 9.592 -1.268 -8.658 1.00 11.23 C ATOM 91 O ASP A 20 9.801 -2.156 -9.471 1.00 44.13 O ATOM 92 CB ASP A 20 9.761 1.289 -8.950 1.00 15.13 C ATOM 93 CG ASP A 20 10.957 1.344 -9.924 1.00 54.24 C ATOM 94 OD1 ASP A 20 10.775 1.231 -11.151 1.00 20.40 O ATOM 95 OD2 ASP A 20 12.090 1.632 -9.475 1.00 12.33 O ATOM 0 H ASP A 20 7.750 1.042 -7.534 1.00 10.22 H new ATOM 0 HA ASP A 20 8.474 -0.054 -10.056 1.00 4.34 H new ATOM 0 HB2 ASP A 20 9.143 2.170 -9.122 1.00 15.13 H new ATOM 0 HB3 ASP A 20 10.148 1.364 -7.934 1.00 15.13 H new ATOM 100 N TYR A 21 9.836 -1.384 -7.351 1.00 54.42 N ATOM 101 CA TYR A 21 10.458 -2.538 -6.656 1.00 21.51 C ATOM 102 C TYR A 21 9.835 -3.895 -7.055 1.00 44.23 C ATOM 103 O TYR A 21 10.529 -4.920 -7.089 1.00 45.43 O ATOM 104 CB TYR A 21 10.251 -2.298 -5.157 1.00 43.11 C ATOM 105 CG TYR A 21 10.694 -3.383 -4.218 1.00 41.34 C ATOM 106 CD1 TYR A 21 9.820 -4.399 -3.842 1.00 32.40 C ATOM 107 CD2 TYR A 21 11.961 -3.376 -3.678 1.00 13.24 C ATOM 108 CE1 TYR A 21 10.200 -5.362 -2.951 1.00 50.53 C ATOM 109 CE2 TYR A 21 12.351 -4.344 -2.796 1.00 74.22 C ATOM 110 CZ TYR A 21 11.463 -5.329 -2.432 1.00 10.44 C ATOM 111 OH TYR A 21 11.840 -6.274 -1.526 1.00 2.35 O ATOM 0 H TYR A 21 9.594 -0.636 -6.701 1.00 54.42 H new ATOM 0 HA TYR A 21 11.510 -2.600 -6.933 1.00 21.51 H new ATOM 0 HB2 TYR A 21 10.777 -1.382 -4.886 1.00 43.11 H new ATOM 0 HB3 TYR A 21 9.189 -2.118 -4.988 1.00 43.11 H new ATOM 0 HD1 TYR A 21 8.825 -4.426 -4.262 1.00 32.40 H new ATOM 0 HD2 TYR A 21 12.655 -2.596 -3.955 1.00 13.24 H new ATOM 0 HE1 TYR A 21 9.510 -6.140 -2.660 1.00 50.53 H new ATOM 0 HE2 TYR A 21 13.351 -4.336 -2.387 1.00 74.22 H new ATOM 0 HH TYR A 21 12.596 -5.939 -1.000 1.00 2.35 H new ATOM 121 N GLN A 22 8.556 -3.905 -7.366 1.00 60.43 N ATOM 122 CA GLN A 22 7.877 -5.141 -7.718 1.00 32.54 C ATOM 123 C GLN A 22 8.372 -5.697 -9.040 1.00 1.35 C ATOM 124 O GLN A 22 8.372 -6.903 -9.247 1.00 42.44 O ATOM 125 CB GLN A 22 6.362 -4.971 -7.695 1.00 2.12 C ATOM 126 CG GLN A 22 5.819 -4.749 -6.291 1.00 32.31 C ATOM 127 CD GLN A 22 6.055 -5.955 -5.392 1.00 21.32 C ATOM 128 OE1 GLN A 22 7.080 -6.076 -4.733 1.00 11.44 O ATOM 129 NE2 GLN A 22 5.106 -6.855 -5.362 1.00 62.30 N ATOM 0 H GLN A 22 7.964 -3.075 -7.383 1.00 60.43 H new ATOM 0 HA GLN A 22 8.125 -5.880 -6.956 1.00 32.54 H new ATOM 0 HB2 GLN A 22 6.085 -4.126 -8.325 1.00 2.12 H new ATOM 0 HB3 GLN A 22 5.894 -5.856 -8.126 1.00 2.12 H new ATOM 0 HG2 GLN A 22 6.294 -3.871 -5.853 1.00 32.31 H new ATOM 0 HG3 GLN A 22 4.751 -4.540 -6.344 1.00 32.31 H new ATOM 0 HE21 GLN A 22 4.263 -6.726 -5.922 1.00 62.30 H new ATOM 0 HE22 GLN A 22 5.209 -7.685 -4.778 1.00 62.30 H new ATOM 138 N GLN A 23 8.848 -4.823 -9.899 1.00 4.10 N ATOM 139 CA GLN A 23 9.422 -5.250 -11.157 1.00 64.44 C ATOM 140 C GLN A 23 10.824 -5.822 -10.880 1.00 32.23 C ATOM 141 O GLN A 23 11.241 -6.804 -11.475 1.00 11.03 O ATOM 142 CB GLN A 23 9.500 -4.074 -12.145 1.00 13.52 C ATOM 143 CG GLN A 23 8.162 -3.357 -12.407 1.00 3.41 C ATOM 144 CD GLN A 23 7.166 -4.076 -13.342 1.00 1.30 C ATOM 145 OE1 GLN A 23 6.366 -3.422 -14.000 1.00 73.12 O ATOM 146 NE2 GLN A 23 7.230 -5.376 -13.465 1.00 61.04 N ATOM 0 H GLN A 23 8.849 -3.814 -9.750 1.00 4.10 H new ATOM 0 HA GLN A 23 8.793 -6.016 -11.610 1.00 64.44 H new ATOM 0 HB2 GLN A 23 10.217 -3.346 -11.765 1.00 13.52 H new ATOM 0 HB3 GLN A 23 9.891 -4.441 -13.094 1.00 13.52 H new ATOM 0 HG2 GLN A 23 7.671 -3.191 -11.448 1.00 3.41 H new ATOM 0 HG3 GLN A 23 8.378 -2.375 -12.829 1.00 3.41 H new ATOM 0 HE21 GLN A 23 7.901 -5.908 -12.911 1.00 61.04 H new ATOM 0 HE22 GLN A 23 6.609 -5.858 -14.115 1.00 61.04 H new ATOM 155 N LEU A 24 11.519 -5.219 -9.910 1.00 64.25 N ATOM 156 CA LEU A 24 12.874 -5.646 -9.494 1.00 34.22 C ATOM 157 C LEU A 24 12.777 -7.093 -8.967 1.00 51.22 C ATOM 158 O LEU A 24 13.645 -7.935 -9.232 1.00 23.31 O ATOM 159 CB LEU A 24 13.368 -4.715 -8.362 1.00 1.14 C ATOM 160 CG LEU A 24 14.876 -4.414 -8.263 1.00 53.43 C ATOM 161 CD1 LEU A 24 15.170 -3.613 -7.016 1.00 70.32 C ATOM 162 CD2 LEU A 24 15.727 -5.658 -8.306 1.00 61.04 C ATOM 0 H LEU A 24 11.164 -4.419 -9.386 1.00 64.25 H new ATOM 0 HA LEU A 24 13.570 -5.596 -10.331 1.00 34.22 H new ATOM 0 HB2 LEU A 24 12.846 -3.764 -8.464 1.00 1.14 H new ATOM 0 HB3 LEU A 24 13.054 -5.151 -7.414 1.00 1.14 H new ATOM 0 HG LEU A 24 15.140 -3.826 -9.142 1.00 53.43 H new ATOM 0 HD11 LEU A 24 16.239 -3.408 -6.959 1.00 70.32 H new ATOM 0 HD12 LEU A 24 14.621 -2.672 -7.050 1.00 70.32 H new ATOM 0 HD13 LEU A 24 14.862 -4.181 -6.138 1.00 70.32 H new ATOM 0 HD21 LEU A 24 16.779 -5.382 -8.232 1.00 61.04 H new ATOM 0 HD22 LEU A 24 15.463 -6.308 -7.472 1.00 61.04 H new ATOM 0 HD23 LEU A 24 15.555 -6.184 -9.245 1.00 61.04 H new ATOM 174 N ARG A 25 11.681 -7.357 -8.252 1.00 1.14 N ATOM 175 CA ARG A 25 11.344 -8.678 -7.704 1.00 11.52 C ATOM 176 C ARG A 25 11.391 -9.764 -8.761 1.00 64.13 C ATOM 177 O ARG A 25 11.857 -10.863 -8.503 1.00 61.13 O ATOM 178 CB ARG A 25 9.952 -8.632 -7.055 1.00 43.43 C ATOM 179 CG ARG A 25 9.948 -8.067 -5.656 1.00 43.44 C ATOM 180 CD ARG A 25 10.390 -9.142 -4.678 1.00 14.52 C ATOM 181 NE ARG A 25 10.691 -8.664 -3.339 1.00 15.11 N ATOM 182 CZ ARG A 25 11.231 -9.437 -2.373 1.00 44.34 C ATOM 183 NH1 ARG A 25 11.413 -10.734 -2.559 1.00 2.12 N ATOM 184 NH2 ARG A 25 11.589 -8.917 -1.233 1.00 33.14 N ATOM 0 H ARG A 25 10.986 -6.644 -8.032 1.00 1.14 H new ATOM 0 HA ARG A 25 12.093 -8.925 -6.952 1.00 11.52 H new ATOM 0 HB2 ARG A 25 9.290 -8.033 -7.680 1.00 43.43 H new ATOM 0 HB3 ARG A 25 9.540 -9.641 -7.030 1.00 43.43 H new ATOM 0 HG2 ARG A 25 10.617 -7.208 -5.597 1.00 43.44 H new ATOM 0 HG3 ARG A 25 8.950 -7.712 -5.398 1.00 43.44 H new ATOM 0 HD2 ARG A 25 9.606 -9.896 -4.611 1.00 14.52 H new ATOM 0 HD3 ARG A 25 11.275 -9.636 -5.079 1.00 14.52 H new ATOM 0 HE ARG A 25 10.483 -7.691 -3.117 1.00 15.11 H new ATOM 0 HH11 ARG A 25 11.144 -11.165 -3.443 1.00 2.12 H new ATOM 0 HH12 ARG A 25 11.822 -11.303 -1.818 1.00 2.12 H new ATOM 0 HH21 ARG A 25 11.462 -7.919 -1.065 1.00 33.14 H new ATOM 0 HH22 ARG A 25 11.996 -9.508 -0.508 1.00 33.14 H new ATOM 198 N GLU A 26 10.927 -9.442 -9.932 1.00 53.21 N ATOM 199 CA GLU A 26 10.915 -10.388 -11.037 1.00 63.01 C ATOM 200 C GLU A 26 12.308 -10.511 -11.585 1.00 2.41 C ATOM 201 O GLU A 26 12.843 -11.599 -11.726 1.00 23.12 O ATOM 202 CB GLU A 26 10.116 -9.857 -12.204 1.00 61.03 C ATOM 203 CG GLU A 26 8.765 -9.292 -11.927 1.00 3.23 C ATOM 204 CD GLU A 26 8.349 -8.471 -13.119 1.00 11.12 C ATOM 205 OE1 GLU A 26 9.003 -7.426 -13.381 1.00 74.15 O ATOM 206 OE2 GLU A 26 7.472 -8.875 -13.867 1.00 22.44 O ATOM 0 H GLU A 26 10.545 -8.524 -10.160 1.00 53.21 H new ATOM 0 HA GLU A 26 10.502 -11.321 -10.654 1.00 63.01 H new ATOM 0 HB2 GLU A 26 10.709 -9.082 -12.690 1.00 61.03 H new ATOM 0 HB3 GLU A 26 9.998 -10.667 -12.924 1.00 61.03 H new ATOM 0 HG2 GLU A 26 8.047 -10.092 -11.747 1.00 3.23 H new ATOM 0 HG3 GLU A 26 8.787 -8.675 -11.029 1.00 3.23 H new ATOM 213 N ARG A 27 12.885 -9.348 -11.882 1.00 5.41 N ATOM 214 CA ARG A 27 14.115 -9.240 -12.631 1.00 14.25 C ATOM 215 C ARG A 27 15.268 -9.964 -12.015 1.00 35.32 C ATOM 216 O ARG A 27 16.085 -10.541 -12.722 1.00 2.02 O ATOM 217 CB ARG A 27 14.445 -7.818 -12.921 1.00 13.01 C ATOM 218 CG ARG A 27 13.288 -7.130 -13.575 1.00 34.40 C ATOM 219 CD ARG A 27 12.817 -7.758 -14.884 1.00 4.41 C ATOM 220 NE ARG A 27 11.349 -7.663 -15.015 1.00 31.31 N ATOM 221 CZ ARG A 27 10.641 -7.936 -16.109 1.00 32.52 C ATOM 222 NH1 ARG A 27 11.261 -8.280 -17.251 1.00 5.23 N ATOM 223 NH2 ARG A 27 9.318 -7.909 -16.045 1.00 54.51 N ATOM 0 H ARG A 27 12.498 -8.447 -11.601 1.00 5.41 H new ATOM 0 HA ARG A 27 13.933 -9.749 -13.577 1.00 14.25 H new ATOM 0 HB2 ARG A 27 14.705 -7.304 -11.996 1.00 13.01 H new ATOM 0 HB3 ARG A 27 15.319 -7.767 -13.570 1.00 13.01 H new ATOM 0 HG2 ARG A 27 12.452 -7.115 -12.876 1.00 34.40 H new ATOM 0 HG3 ARG A 27 13.563 -6.093 -13.766 1.00 34.40 H new ATOM 0 HD2 ARG A 27 13.295 -7.256 -15.725 1.00 4.41 H new ATOM 0 HD3 ARG A 27 13.123 -8.804 -14.921 1.00 4.41 H new ATOM 0 HE ARG A 27 10.829 -7.360 -14.191 1.00 31.31 H new ATOM 0 HH11 ARG A 27 12.279 -8.333 -17.283 1.00 5.23 H new ATOM 0 HH12 ARG A 27 10.713 -8.488 -18.086 1.00 5.23 H new ATOM 0 HH21 ARG A 27 8.855 -7.681 -15.165 1.00 54.51 H new ATOM 0 HH22 ARG A 27 8.763 -8.116 -16.875 1.00 54.51 H new ATOM 237 N LEU A 28 15.314 -9.984 -10.698 1.00 63.03 N ATOM 238 CA LEU A 28 16.353 -10.713 -10.018 1.00 5.54 C ATOM 239 C LEU A 28 16.213 -12.171 -10.244 1.00 72.41 C ATOM 240 O LEU A 28 17.154 -12.816 -10.609 1.00 2.51 O ATOM 241 CB LEU A 28 16.428 -10.396 -8.539 1.00 11.41 C ATOM 242 CG LEU A 28 16.999 -9.041 -8.205 1.00 22.30 C ATOM 243 CD1 LEU A 28 17.162 -8.899 -6.723 1.00 61.22 C ATOM 244 CD2 LEU A 28 18.323 -8.858 -8.903 1.00 60.21 C ATOM 0 H LEU A 28 14.650 -9.508 -10.087 1.00 63.03 H new ATOM 0 HA LEU A 28 17.297 -10.383 -10.451 1.00 5.54 H new ATOM 0 HB2 LEU A 28 15.425 -10.465 -8.117 1.00 11.41 H new ATOM 0 HB3 LEU A 28 17.033 -11.159 -8.050 1.00 11.41 H new ATOM 0 HG LEU A 28 16.311 -8.269 -8.550 1.00 22.30 H new ATOM 0 HD11 LEU A 28 17.575 -7.916 -6.495 1.00 61.22 H new ATOM 0 HD12 LEU A 28 16.192 -9.006 -6.238 1.00 61.22 H new ATOM 0 HD13 LEU A 28 17.838 -9.671 -6.356 1.00 61.22 H new ATOM 0 HD21 LEU A 28 18.731 -7.877 -8.658 1.00 60.21 H new ATOM 0 HD22 LEU A 28 19.017 -9.632 -8.575 1.00 60.21 H new ATOM 0 HD23 LEU A 28 18.179 -8.932 -9.981 1.00 60.21 H new ATOM 256 N ILE A 29 15.019 -12.665 -10.086 1.00 14.42 N ATOM 257 CA ILE A 29 14.688 -14.073 -10.311 1.00 32.42 C ATOM 258 C ILE A 29 15.103 -14.539 -11.720 1.00 24.44 C ATOM 259 O ILE A 29 15.493 -15.686 -11.912 1.00 30.51 O ATOM 260 CB ILE A 29 13.160 -14.315 -10.009 1.00 51.22 C ATOM 261 CG1 ILE A 29 12.927 -14.553 -8.515 1.00 34.43 C ATOM 262 CG2 ILE A 29 12.535 -15.427 -10.827 1.00 20.05 C ATOM 263 CD1 ILE A 29 13.463 -13.472 -7.625 1.00 71.44 C ATOM 0 H ILE A 29 14.221 -12.102 -9.792 1.00 14.42 H new ATOM 0 HA ILE A 29 15.264 -14.688 -9.619 1.00 32.42 H new ATOM 0 HB ILE A 29 12.656 -13.398 -10.314 1.00 51.22 H new ATOM 0 HG12 ILE A 29 11.856 -14.655 -8.338 1.00 34.43 H new ATOM 0 HG13 ILE A 29 13.388 -15.500 -8.234 1.00 34.43 H new ATOM 0 HG21 ILE A 29 11.483 -15.529 -10.559 1.00 20.05 H new ATOM 0 HG22 ILE A 29 12.618 -15.189 -11.888 1.00 20.05 H new ATOM 0 HG23 ILE A 29 13.054 -16.364 -10.624 1.00 20.05 H new ATOM 0 HD11 ILE A 29 13.255 -13.721 -6.584 1.00 71.44 H new ATOM 0 HD12 ILE A 29 14.540 -13.383 -7.768 1.00 71.44 H new ATOM 0 HD13 ILE A 29 12.984 -12.525 -7.874 1.00 71.44 H new ATOM 275 N GLN A 30 15.103 -13.615 -12.659 1.00 74.44 N ATOM 276 CA GLN A 30 15.472 -13.909 -14.032 1.00 61.41 C ATOM 277 C GLN A 30 16.989 -14.119 -14.140 1.00 54.10 C ATOM 278 O GLN A 30 17.454 -14.953 -14.904 1.00 25.22 O ATOM 279 CB GLN A 30 15.013 -12.777 -14.950 1.00 14.21 C ATOM 280 CG GLN A 30 13.606 -12.314 -14.624 1.00 23.21 C ATOM 281 CD GLN A 30 13.007 -11.319 -15.602 1.00 61.45 C ATOM 282 OE1 GLN A 30 13.699 -10.527 -16.233 1.00 52.32 O ATOM 283 NE2 GLN A 30 11.701 -11.337 -15.711 1.00 61.50 N ATOM 0 H GLN A 30 14.848 -12.641 -12.494 1.00 74.44 H new ATOM 0 HA GLN A 30 14.978 -14.829 -14.345 1.00 61.41 H new ATOM 0 HB2 GLN A 30 15.701 -11.936 -14.860 1.00 14.21 H new ATOM 0 HB3 GLN A 30 15.053 -13.112 -15.986 1.00 14.21 H new ATOM 0 HG2 GLN A 30 12.956 -13.188 -14.576 1.00 23.21 H new ATOM 0 HG3 GLN A 30 13.610 -11.865 -13.631 1.00 23.21 H new ATOM 0 HE21 GLN A 30 11.153 -12.008 -15.172 1.00 61.50 H new ATOM 0 HE22 GLN A 30 11.232 -10.680 -16.334 1.00 61.50 H new ATOM 292 N GLU A 31 17.749 -13.368 -13.353 1.00 22.35 N ATOM 293 CA GLU A 31 19.199 -13.516 -13.347 1.00 13.22 C ATOM 294 C GLU A 31 19.608 -14.621 -12.395 1.00 74.14 C ATOM 295 O GLU A 31 20.587 -15.341 -12.629 1.00 41.21 O ATOM 296 CB GLU A 31 19.912 -12.221 -12.943 1.00 2.23 C ATOM 297 CG GLU A 31 19.564 -11.031 -13.800 1.00 42.15 C ATOM 298 CD GLU A 31 20.577 -9.917 -13.686 1.00 71.43 C ATOM 299 OE1 GLU A 31 21.723 -10.093 -14.174 1.00 15.21 O ATOM 300 OE2 GLU A 31 20.271 -8.844 -13.160 1.00 65.15 O ATOM 0 H GLU A 31 17.390 -12.657 -12.716 1.00 22.35 H new ATOM 0 HA GLU A 31 19.497 -13.765 -14.366 1.00 13.22 H new ATOM 0 HB2 GLU A 31 19.666 -11.992 -11.906 1.00 2.23 H new ATOM 0 HB3 GLU A 31 20.989 -12.384 -12.987 1.00 2.23 H new ATOM 0 HG2 GLU A 31 19.492 -11.346 -14.841 1.00 42.15 H new ATOM 0 HG3 GLU A 31 18.582 -10.655 -13.512 1.00 42.15 H new ATOM 307 N LEU A 32 18.846 -14.755 -11.330 1.00 11.43 N ATOM 308 CA LEU A 32 19.113 -15.717 -10.307 1.00 23.31 C ATOM 309 C LEU A 32 18.736 -17.136 -10.758 1.00 55.31 C ATOM 310 O LEU A 32 19.209 -18.115 -10.192 1.00 63.31 O ATOM 311 CB LEU A 32 18.413 -15.296 -8.996 1.00 50.43 C ATOM 312 CG LEU A 32 18.825 -13.930 -8.445 1.00 1.02 C ATOM 313 CD1 LEU A 32 18.144 -13.625 -7.134 1.00 74.11 C ATOM 314 CD2 LEU A 32 20.327 -13.780 -8.333 1.00 43.22 C ATOM 0 H LEU A 32 18.016 -14.187 -11.158 1.00 11.43 H new ATOM 0 HA LEU A 32 20.185 -15.743 -10.113 1.00 23.31 H new ATOM 0 HB2 LEU A 32 17.336 -15.292 -9.164 1.00 50.43 H new ATOM 0 HB3 LEU A 32 18.615 -16.052 -8.237 1.00 50.43 H new ATOM 0 HG LEU A 32 18.486 -13.192 -9.172 1.00 1.02 H new ATOM 0 HD11 LEU A 32 18.464 -12.646 -6.777 1.00 74.11 H new ATOM 0 HD12 LEU A 32 17.063 -13.624 -7.277 1.00 74.11 H new ATOM 0 HD13 LEU A 32 18.412 -14.384 -6.399 1.00 74.11 H new ATOM 0 HD21 LEU A 32 20.566 -12.793 -7.937 1.00 43.22 H new ATOM 0 HD22 LEU A 32 20.720 -14.545 -7.663 1.00 43.22 H new ATOM 0 HD23 LEU A 32 20.779 -13.894 -9.318 1.00 43.22 H new ATOM 326 N ASN A 33 17.880 -17.213 -11.790 1.00 12.45 N ATOM 327 CA ASN A 33 17.513 -18.471 -12.495 1.00 71.10 C ATOM 328 C ASN A 33 16.797 -19.509 -11.628 1.00 30.31 C ATOM 329 O ASN A 33 16.766 -20.692 -11.965 1.00 70.14 O ATOM 330 CB ASN A 33 18.734 -19.095 -13.208 1.00 21.34 C ATOM 331 CG ASN A 33 19.079 -18.407 -14.523 1.00 60.21 C ATOM 332 OD1 ASN A 33 18.623 -18.810 -15.582 1.00 24.21 O ATOM 333 ND2 ASN A 33 19.865 -17.360 -14.471 1.00 12.34 N ATOM 0 H ASN A 33 17.410 -16.392 -12.172 1.00 12.45 H new ATOM 0 HA ASN A 33 16.780 -18.166 -13.241 1.00 71.10 H new ATOM 0 HB2 ASN A 33 19.597 -19.048 -12.544 1.00 21.34 H new ATOM 0 HB3 ASN A 33 18.535 -20.150 -13.399 1.00 21.34 H new ATOM 0 HD21 ASN A 33 20.109 -16.862 -15.327 1.00 12.34 H new ATOM 0 HD22 ASN A 33 20.233 -17.043 -13.574 1.00 12.34 H new ATOM 340 N LEU A 34 16.175 -19.077 -10.562 1.00 4.11 N ATOM 341 CA LEU A 34 15.448 -19.975 -9.712 1.00 61.14 C ATOM 342 C LEU A 34 14.091 -19.376 -9.404 1.00 50.52 C ATOM 343 O LEU A 34 13.792 -18.275 -9.855 1.00 54.24 O ATOM 344 CB LEU A 34 16.234 -20.311 -8.427 1.00 15.35 C ATOM 345 CG LEU A 34 16.288 -19.295 -7.274 1.00 23.14 C ATOM 346 CD1 LEU A 34 17.190 -19.826 -6.196 1.00 13.52 C ATOM 347 CD2 LEU A 34 16.761 -17.939 -7.720 1.00 63.14 C ATOM 0 H LEU A 34 16.159 -18.102 -10.263 1.00 4.11 H new ATOM 0 HA LEU A 34 15.306 -20.921 -10.234 1.00 61.14 H new ATOM 0 HB2 LEU A 34 15.820 -21.236 -8.026 1.00 15.35 H new ATOM 0 HB3 LEU A 34 17.262 -20.523 -8.721 1.00 15.35 H new ATOM 0 HG LEU A 34 15.274 -19.165 -6.895 1.00 23.14 H new ATOM 0 HD11 LEU A 34 17.234 -19.112 -5.374 1.00 13.52 H new ATOM 0 HD12 LEU A 34 16.800 -20.776 -5.831 1.00 13.52 H new ATOM 0 HD13 LEU A 34 18.191 -19.976 -6.600 1.00 13.52 H new ATOM 0 HD21 LEU A 34 16.780 -17.261 -6.866 1.00 63.14 H new ATOM 0 HD22 LEU A 34 17.764 -18.023 -8.139 1.00 63.14 H new ATOM 0 HD23 LEU A 34 16.083 -17.548 -8.478 1.00 63.14 H new ATOM 359 N THR A 35 13.279 -20.061 -8.642 1.00 30.25 N ATOM 360 CA THR A 35 11.976 -19.561 -8.335 1.00 53.41 C ATOM 361 C THR A 35 12.158 -18.639 -7.124 1.00 73.41 C ATOM 362 O THR A 35 13.033 -18.902 -6.303 1.00 35.50 O ATOM 363 CB THR A 35 11.066 -20.746 -7.975 1.00 14.25 C ATOM 364 OG1 THR A 35 11.474 -21.877 -8.751 1.00 21.31 O ATOM 365 CG2 THR A 35 9.599 -20.473 -8.300 1.00 65.01 C ATOM 0 H THR A 35 13.502 -20.965 -8.226 1.00 30.25 H new ATOM 0 HA THR A 35 11.524 -19.025 -9.170 1.00 53.41 H new ATOM 0 HB THR A 35 11.156 -20.919 -6.903 1.00 14.25 H new ATOM 0 HG1 THR A 35 10.905 -22.645 -8.534 1.00 21.31 H new ATOM 0 HG21 THR A 35 8.998 -21.341 -8.027 1.00 65.01 H new ATOM 0 HG22 THR A 35 9.257 -19.604 -7.738 1.00 65.01 H new ATOM 0 HG23 THR A 35 9.493 -20.280 -9.367 1.00 65.01 H new ATOM 373 N PRO A 36 11.379 -17.555 -7.010 1.00 12.50 N ATOM 374 CA PRO A 36 11.500 -16.585 -5.909 1.00 45.21 C ATOM 375 C PRO A 36 11.472 -17.244 -4.520 1.00 61.41 C ATOM 376 O PRO A 36 12.118 -16.786 -3.594 1.00 73.04 O ATOM 377 CB PRO A 36 10.280 -15.659 -6.086 1.00 23.11 C ATOM 378 CG PRO A 36 9.438 -16.286 -7.151 1.00 43.34 C ATOM 379 CD PRO A 36 10.346 -17.172 -7.954 1.00 21.04 C ATOM 0 HA PRO A 36 12.456 -16.063 -5.953 1.00 45.21 H new ATOM 0 HB2 PRO A 36 9.723 -15.564 -5.154 1.00 23.11 H new ATOM 0 HB3 PRO A 36 10.591 -14.655 -6.375 1.00 23.11 H new ATOM 0 HG2 PRO A 36 8.624 -16.863 -6.711 1.00 43.34 H new ATOM 0 HG3 PRO A 36 8.983 -15.524 -7.783 1.00 43.34 H new ATOM 0 HD2 PRO A 36 9.816 -18.042 -8.342 1.00 21.04 H new ATOM 0 HD3 PRO A 36 10.763 -16.645 -8.812 1.00 21.04 H new ATOM 387 N GLN A 37 10.741 -18.342 -4.413 1.00 21.12 N ATOM 388 CA GLN A 37 10.600 -19.075 -3.163 1.00 11.04 C ATOM 389 C GLN A 37 11.828 -19.942 -2.860 1.00 23.01 C ATOM 390 O GLN A 37 11.931 -20.496 -1.780 1.00 5.14 O ATOM 391 CB GLN A 37 9.339 -19.975 -3.164 1.00 60.50 C ATOM 392 CG GLN A 37 7.982 -19.254 -3.241 1.00 11.44 C ATOM 393 CD GLN A 37 7.731 -18.536 -4.557 1.00 41.54 C ATOM 394 OE1 GLN A 37 8.230 -18.937 -5.608 1.00 71.11 O ATOM 395 NE2 GLN A 37 6.960 -17.480 -4.514 1.00 11.25 N ATOM 0 H GLN A 37 10.227 -18.752 -5.193 1.00 21.12 H new ATOM 0 HA GLN A 37 10.502 -18.319 -2.384 1.00 11.04 H new ATOM 0 HB2 GLN A 37 9.410 -20.661 -4.008 1.00 60.50 H new ATOM 0 HB3 GLN A 37 9.352 -20.582 -2.259 1.00 60.50 H new ATOM 0 HG2 GLN A 37 7.187 -19.982 -3.080 1.00 11.44 H new ATOM 0 HG3 GLN A 37 7.921 -18.530 -2.428 1.00 11.44 H new ATOM 0 HE21 GLN A 37 6.562 -17.175 -3.626 1.00 11.25 H new ATOM 0 HE22 GLN A 37 6.756 -16.962 -5.369 1.00 11.25 H new ATOM 404 N GLN A 38 12.741 -20.079 -3.816 1.00 24.53 N ATOM 405 CA GLN A 38 13.915 -20.908 -3.595 1.00 2.13 C ATOM 406 C GLN A 38 15.133 -20.070 -3.240 1.00 34.21 C ATOM 407 O GLN A 38 16.231 -20.599 -3.093 1.00 52.13 O ATOM 408 CB GLN A 38 14.225 -21.771 -4.823 1.00 33.41 C ATOM 409 CG GLN A 38 13.136 -22.757 -5.202 1.00 60.03 C ATOM 410 CD GLN A 38 13.543 -23.651 -6.359 1.00 51.44 C ATOM 411 OE1 GLN A 38 14.706 -23.954 -6.544 1.00 33.32 O ATOM 412 NE2 GLN A 38 12.594 -24.061 -7.151 1.00 73.35 N ATOM 0 H GLN A 38 12.692 -19.635 -4.733 1.00 24.53 H new ATOM 0 HA GLN A 38 13.686 -21.561 -2.753 1.00 2.13 H new ATOM 0 HB2 GLN A 38 14.412 -21.114 -5.673 1.00 33.41 H new ATOM 0 HB3 GLN A 38 15.146 -22.323 -4.638 1.00 33.41 H new ATOM 0 HG2 GLN A 38 12.892 -23.374 -4.338 1.00 60.03 H new ATOM 0 HG3 GLN A 38 12.232 -22.210 -5.469 1.00 60.03 H new ATOM 0 HE21 GLN A 38 11.627 -23.791 -6.971 1.00 73.35 H new ATOM 0 HE22 GLN A 38 12.818 -24.652 -7.951 1.00 73.35 H new ATOM 421 N LEU A 39 14.958 -18.772 -3.102 1.00 25.23 N ATOM 422 CA LEU A 39 16.089 -17.935 -2.803 1.00 32.22 C ATOM 423 C LEU A 39 16.044 -17.480 -1.364 1.00 3.52 C ATOM 424 O LEU A 39 14.988 -17.481 -0.732 1.00 32.53 O ATOM 425 CB LEU A 39 16.259 -16.752 -3.812 1.00 50.43 C ATOM 426 CG LEU A 39 15.302 -15.540 -3.736 1.00 71.35 C ATOM 427 CD1 LEU A 39 15.657 -14.625 -2.560 1.00 54.13 C ATOM 428 CD2 LEU A 39 15.350 -14.757 -5.036 1.00 22.15 C ATOM 0 H LEU A 39 14.065 -18.288 -3.190 1.00 25.23 H new ATOM 0 HA LEU A 39 16.987 -18.539 -2.930 1.00 32.22 H new ATOM 0 HB2 LEU A 39 17.275 -16.373 -3.702 1.00 50.43 H new ATOM 0 HB3 LEU A 39 16.181 -17.167 -4.817 1.00 50.43 H new ATOM 0 HG LEU A 39 14.291 -15.917 -3.578 1.00 71.35 H new ATOM 0 HD11 LEU A 39 14.966 -13.782 -2.533 1.00 54.13 H new ATOM 0 HD12 LEU A 39 15.582 -15.185 -1.628 1.00 54.13 H new ATOM 0 HD13 LEU A 39 16.675 -14.256 -2.681 1.00 54.13 H new ATOM 0 HD21 LEU A 39 14.673 -13.905 -4.973 1.00 22.15 H new ATOM 0 HD22 LEU A 39 16.366 -14.401 -5.209 1.00 22.15 H new ATOM 0 HD23 LEU A 39 15.046 -15.402 -5.861 1.00 22.15 H new ATOM 440 N HIS A 40 17.173 -17.087 -0.872 1.00 3.45 N ATOM 441 CA HIS A 40 17.318 -16.655 0.491 1.00 44.21 C ATOM 442 C HIS A 40 17.431 -15.143 0.600 1.00 65.13 C ATOM 443 O HIS A 40 18.357 -14.562 0.042 1.00 74.42 O ATOM 444 CB HIS A 40 18.577 -17.240 1.059 1.00 23.10 C ATOM 445 CG HIS A 40 18.531 -18.698 1.404 1.00 41.34 C ATOM 446 ND1 HIS A 40 18.457 -19.158 2.695 1.00 44.41 N ATOM 447 CD2 HIS A 40 18.601 -19.799 0.617 1.00 51.22 C ATOM 448 CE1 HIS A 40 18.484 -20.486 2.669 1.00 62.20 C ATOM 449 NE2 HIS A 40 18.572 -20.936 1.425 1.00 42.24 N ATOM 0 H HIS A 40 18.039 -17.054 -1.410 1.00 3.45 H new ATOM 0 HA HIS A 40 16.433 -16.986 1.034 1.00 44.21 H new ATOM 0 HB2 HIS A 40 19.382 -17.083 0.341 1.00 23.10 H new ATOM 0 HB3 HIS A 40 18.838 -16.683 1.959 1.00 23.10 H new ATOM 0 HD1 HIS A 40 18.392 -18.579 3.532 1.00 44.41 H new ATOM 0 HD2 HIS A 40 18.668 -19.797 -0.461 1.00 51.22 H new ATOM 0 HE1 HIS A 40 18.440 -21.116 3.545 1.00 62.20 H new ATOM 457 N GLU A 41 16.462 -14.503 1.239 1.00 42.20 N ATOM 458 CA GLU A 41 16.572 -13.074 1.532 1.00 65.23 C ATOM 459 C GLU A 41 17.290 -12.756 2.846 1.00 23.54 C ATOM 460 O GLU A 41 17.557 -11.591 3.154 1.00 34.21 O ATOM 461 CB GLU A 41 15.286 -12.297 1.367 1.00 35.21 C ATOM 462 CG GLU A 41 14.849 -12.219 -0.072 1.00 52.44 C ATOM 463 CD GLU A 41 13.943 -11.068 -0.330 1.00 73.44 C ATOM 464 OE1 GLU A 41 14.455 -9.961 -0.592 1.00 25.24 O ATOM 465 OE2 GLU A 41 12.711 -11.236 -0.296 1.00 72.31 O ATOM 0 H GLU A 41 15.599 -14.941 1.563 1.00 42.20 H new ATOM 0 HA GLU A 41 17.229 -12.707 0.743 1.00 65.23 H new ATOM 0 HB2 GLU A 41 14.501 -12.768 1.958 1.00 35.21 H new ATOM 0 HB3 GLU A 41 15.420 -11.289 1.759 1.00 35.21 H new ATOM 0 HG2 GLU A 41 15.728 -12.136 -0.711 1.00 52.44 H new ATOM 0 HG3 GLU A 41 14.342 -13.145 -0.345 1.00 52.44 H new ATOM 472 N GLU A 42 17.540 -13.763 3.641 1.00 44.51 N ATOM 473 CA GLU A 42 18.351 -13.595 4.842 1.00 63.50 C ATOM 474 C GLU A 42 19.810 -13.866 4.506 1.00 54.34 C ATOM 475 O GLU A 42 20.730 -13.348 5.142 1.00 70.50 O ATOM 476 CB GLU A 42 17.877 -14.452 6.065 1.00 34.22 C ATOM 477 CG GLU A 42 17.070 -15.734 5.766 1.00 54.33 C ATOM 478 CD GLU A 42 17.611 -16.562 4.632 1.00 32.45 C ATOM 479 OE1 GLU A 42 18.588 -17.310 4.799 1.00 43.25 O ATOM 480 OE2 GLU A 42 17.079 -16.415 3.536 1.00 5.14 O ATOM 0 H GLU A 42 17.199 -14.712 3.488 1.00 44.51 H new ATOM 0 HA GLU A 42 18.227 -12.562 5.166 1.00 63.50 H new ATOM 0 HB2 GLU A 42 18.759 -14.736 6.639 1.00 34.22 H new ATOM 0 HB3 GLU A 42 17.270 -13.814 6.708 1.00 34.22 H new ATOM 0 HG2 GLU A 42 17.041 -16.348 6.666 1.00 54.33 H new ATOM 0 HG3 GLU A 42 16.041 -15.455 5.537 1.00 54.33 H new ATOM 487 N SER A 43 19.993 -14.682 3.507 1.00 62.01 N ATOM 488 CA SER A 43 21.277 -14.980 2.967 1.00 13.34 C ATOM 489 C SER A 43 21.532 -14.043 1.805 1.00 44.13 C ATOM 490 O SER A 43 20.639 -13.337 1.368 1.00 52.44 O ATOM 491 CB SER A 43 21.336 -16.405 2.492 1.00 12.42 C ATOM 492 OG SER A 43 21.076 -17.324 3.551 1.00 60.21 O ATOM 0 H SER A 43 19.229 -15.168 3.037 1.00 62.01 H new ATOM 0 HA SER A 43 22.036 -14.849 3.738 1.00 13.34 H new ATOM 0 HB2 SER A 43 20.608 -16.553 1.694 1.00 12.42 H new ATOM 0 HB3 SER A 43 22.320 -16.607 2.068 1.00 12.42 H new ATOM 0 HG SER A 43 20.169 -17.181 3.893 1.00 60.21 H new ATOM 498 N ASN A 44 22.731 -14.023 1.316 1.00 31.41 N ATOM 499 CA ASN A 44 23.073 -13.100 0.261 1.00 22.14 C ATOM 500 C ASN A 44 22.625 -13.625 -1.085 1.00 12.20 C ATOM 501 O ASN A 44 22.670 -14.826 -1.337 1.00 63.32 O ATOM 502 CB ASN A 44 24.577 -12.802 0.231 1.00 30.11 C ATOM 503 CG ASN A 44 25.120 -12.248 1.531 1.00 42.43 C ATOM 504 OD1 ASN A 44 25.142 -11.059 1.740 1.00 50.12 O ATOM 505 ND2 ASN A 44 25.579 -13.118 2.405 1.00 31.42 N ATOM 0 H ASN A 44 23.492 -14.629 1.623 1.00 31.41 H new ATOM 0 HA ASN A 44 22.547 -12.169 0.470 1.00 22.14 H new ATOM 0 HB2 ASN A 44 25.114 -13.718 -0.014 1.00 30.11 H new ATOM 0 HB3 ASN A 44 24.780 -12.090 -0.569 1.00 30.11 H new ATOM 0 HD21 ASN A 44 25.968 -12.794 3.290 1.00 31.42 H new ATOM 0 HD22 ASN A 44 25.545 -14.116 2.197 1.00 31.42 H new ATOM 512 N LEU A 45 22.244 -12.719 -1.976 1.00 40.31 N ATOM 513 CA LEU A 45 21.793 -13.109 -3.311 1.00 54.23 C ATOM 514 C LEU A 45 22.976 -13.460 -4.193 1.00 63.45 C ATOM 515 O LEU A 45 22.826 -14.049 -5.237 1.00 31.41 O ATOM 516 CB LEU A 45 20.943 -12.019 -3.964 1.00 41.22 C ATOM 517 CG LEU A 45 19.633 -11.658 -3.260 1.00 72.23 C ATOM 518 CD1 LEU A 45 18.905 -10.578 -4.024 1.00 42.43 C ATOM 519 CD2 LEU A 45 18.747 -12.875 -3.093 1.00 31.21 C ATOM 0 H LEU A 45 22.237 -11.714 -1.803 1.00 40.31 H new ATOM 0 HA LEU A 45 21.165 -13.992 -3.198 1.00 54.23 H new ATOM 0 HB2 LEU A 45 21.548 -11.116 -4.042 1.00 41.22 H new ATOM 0 HB3 LEU A 45 20.708 -12.334 -4.981 1.00 41.22 H new ATOM 0 HG LEU A 45 19.878 -11.282 -2.267 1.00 72.23 H new ATOM 0 HD11 LEU A 45 17.975 -10.333 -3.510 1.00 42.43 H new ATOM 0 HD12 LEU A 45 19.532 -9.689 -4.084 1.00 42.43 H new ATOM 0 HD13 LEU A 45 18.681 -10.932 -5.030 1.00 42.43 H new ATOM 0 HD21 LEU A 45 17.824 -12.587 -2.590 1.00 31.21 H new ATOM 0 HD22 LEU A 45 18.512 -13.291 -4.073 1.00 31.21 H new ATOM 0 HD23 LEU A 45 19.267 -13.624 -2.496 1.00 31.21 H new ATOM 531 N ILE A 46 24.155 -13.108 -3.725 1.00 11.54 N ATOM 532 CA ILE A 46 25.413 -13.400 -4.410 1.00 72.13 C ATOM 533 C ILE A 46 25.780 -14.897 -4.207 1.00 4.40 C ATOM 534 O ILE A 46 26.719 -15.427 -4.777 1.00 2.54 O ATOM 535 CB ILE A 46 26.523 -12.422 -3.909 1.00 31.22 C ATOM 536 CG1 ILE A 46 26.070 -10.977 -4.174 1.00 44.44 C ATOM 537 CG2 ILE A 46 27.854 -12.674 -4.594 1.00 12.44 C ATOM 538 CD1 ILE A 46 27.042 -9.903 -3.738 1.00 23.21 C ATOM 0 H ILE A 46 24.277 -12.604 -2.847 1.00 11.54 H new ATOM 0 HA ILE A 46 25.312 -13.240 -5.484 1.00 72.13 H new ATOM 0 HB ILE A 46 26.668 -12.589 -2.842 1.00 31.22 H new ATOM 0 HG12 ILE A 46 25.883 -10.863 -5.242 1.00 44.44 H new ATOM 0 HG13 ILE A 46 25.120 -10.813 -3.665 1.00 44.44 H new ATOM 0 HG21 ILE A 46 28.597 -11.972 -4.216 1.00 12.44 H new ATOM 0 HG22 ILE A 46 28.181 -13.693 -4.389 1.00 12.44 H new ATOM 0 HG23 ILE A 46 27.741 -12.538 -5.670 1.00 12.44 H new ATOM 0 HD11 ILE A 46 26.628 -8.922 -3.970 1.00 23.21 H new ATOM 0 HD12 ILE A 46 27.213 -9.981 -2.664 1.00 23.21 H new ATOM 0 HD13 ILE A 46 27.987 -10.032 -4.266 1.00 23.21 H new ATOM 550 N GLN A 47 24.988 -15.561 -3.378 1.00 11.12 N ATOM 551 CA GLN A 47 25.087 -17.004 -3.183 1.00 11.44 C ATOM 552 C GLN A 47 24.319 -17.709 -4.318 1.00 30.34 C ATOM 553 O GLN A 47 24.318 -18.928 -4.440 1.00 55.15 O ATOM 554 CB GLN A 47 24.535 -17.379 -1.817 1.00 72.23 C ATOM 555 CG GLN A 47 25.296 -16.716 -0.669 1.00 13.30 C ATOM 556 CD GLN A 47 24.645 -16.893 0.694 1.00 55.24 C ATOM 557 OE1 GLN A 47 24.769 -16.020 1.564 1.00 41.12 O ATOM 558 NE2 GLN A 47 23.962 -17.993 0.904 1.00 4.51 N ATOM 0 H GLN A 47 24.258 -15.117 -2.821 1.00 11.12 H new ATOM 0 HA GLN A 47 26.129 -17.323 -3.215 1.00 11.44 H new ATOM 0 HB2 GLN A 47 23.485 -17.093 -1.764 1.00 72.23 H new ATOM 0 HB3 GLN A 47 24.577 -18.462 -1.698 1.00 72.23 H new ATOM 0 HG2 GLN A 47 26.306 -17.125 -0.633 1.00 13.30 H new ATOM 0 HG3 GLN A 47 25.391 -15.651 -0.878 1.00 13.30 H new ATOM 0 HE21 GLN A 47 23.880 -18.691 0.165 1.00 4.51 H new ATOM 0 HE22 GLN A 47 23.513 -18.150 1.806 1.00 4.51 H new ATOM 567 N ALA A 48 23.639 -16.891 -5.098 1.00 20.42 N ATOM 568 CA ALA A 48 22.933 -17.268 -6.294 1.00 61.11 C ATOM 569 C ALA A 48 23.630 -16.530 -7.433 1.00 33.24 C ATOM 570 O ALA A 48 24.628 -15.852 -7.182 1.00 73.15 O ATOM 571 CB ALA A 48 21.462 -16.871 -6.199 1.00 72.24 C ATOM 0 H ALA A 48 23.564 -15.894 -4.898 1.00 20.42 H new ATOM 0 HA ALA A 48 22.950 -18.346 -6.451 1.00 61.11 H new ATOM 0 HB1 ALA A 48 20.946 -17.165 -7.113 1.00 72.24 H new ATOM 0 HB2 ALA A 48 21.004 -17.373 -5.347 1.00 72.24 H new ATOM 0 HB3 ALA A 48 21.384 -15.792 -6.069 1.00 72.24 H new ATOM 577 N GLY A 49 23.152 -16.649 -8.664 1.00 72.11 N ATOM 578 CA GLY A 49 23.859 -15.996 -9.757 1.00 40.40 C ATOM 579 C GLY A 49 23.650 -14.485 -9.782 1.00 4.32 C ATOM 580 O GLY A 49 22.761 -13.982 -10.471 1.00 33.25 O ATOM 0 H GLY A 49 22.314 -17.168 -8.925 1.00 72.11 H new ATOM 0 HA2 GLY A 49 24.925 -16.209 -9.672 1.00 40.40 H new ATOM 0 HA3 GLY A 49 23.524 -16.420 -10.704 1.00 40.40 H new ATOM 584 N LEU A 50 24.489 -13.779 -9.061 1.00 64.14 N ATOM 585 CA LEU A 50 24.480 -12.369 -8.990 1.00 24.13 C ATOM 586 C LEU A 50 25.939 -11.941 -8.879 1.00 52.01 C ATOM 587 O LEU A 50 26.548 -12.109 -7.831 1.00 30.41 O ATOM 588 CB LEU A 50 23.710 -11.924 -7.740 1.00 73.14 C ATOM 589 CG LEU A 50 23.461 -10.439 -7.621 1.00 50.10 C ATOM 590 CD1 LEU A 50 22.339 -10.000 -8.546 1.00 35.14 C ATOM 591 CD2 LEU A 50 23.187 -10.018 -6.195 1.00 75.24 C ATOM 0 H LEU A 50 25.219 -14.206 -8.491 1.00 64.14 H new ATOM 0 HA LEU A 50 24.000 -11.924 -9.861 1.00 24.13 H new ATOM 0 HB2 LEU A 50 22.749 -12.438 -7.725 1.00 73.14 H new ATOM 0 HB3 LEU A 50 24.261 -12.254 -6.859 1.00 73.14 H new ATOM 0 HG LEU A 50 24.376 -9.935 -7.931 1.00 50.10 H new ATOM 0 HD11 LEU A 50 22.180 -8.927 -8.441 1.00 35.14 H new ATOM 0 HD12 LEU A 50 22.608 -10.228 -9.578 1.00 35.14 H new ATOM 0 HD13 LEU A 50 21.423 -10.530 -8.284 1.00 35.14 H new ATOM 0 HD21 LEU A 50 23.014 -8.942 -6.160 1.00 75.24 H new ATOM 0 HD22 LEU A 50 22.304 -10.540 -5.825 1.00 75.24 H new ATOM 0 HD23 LEU A 50 24.045 -10.268 -5.571 1.00 75.24 H new ATOM 603 N ASP A 51 26.500 -11.472 -9.979 1.00 72.32 N ATOM 604 CA ASP A 51 27.919 -11.108 -10.030 1.00 71.14 C ATOM 605 C ASP A 51 28.142 -9.686 -9.528 1.00 12.51 C ATOM 606 O ASP A 51 27.780 -9.345 -8.424 1.00 75.43 O ATOM 607 CB ASP A 51 28.495 -11.261 -11.466 1.00 31.24 C ATOM 608 CG ASP A 51 28.387 -12.660 -12.032 1.00 22.21 C ATOM 609 OD1 ASP A 51 27.341 -12.954 -12.669 1.00 40.30 O ATOM 610 OD2 ASP A 51 29.310 -13.446 -11.876 1.00 44.22 O ATOM 0 H ASP A 51 25.999 -11.331 -10.856 1.00 72.32 H new ATOM 0 HA ASP A 51 28.449 -11.797 -9.372 1.00 71.14 H new ATOM 0 HB2 ASP A 51 27.974 -10.571 -12.130 1.00 31.24 H new ATOM 0 HB3 ASP A 51 29.544 -10.964 -11.458 1.00 31.24 H new HETATM 615 N 4HJ A 52 28.687 -8.858 -10.364 1.00 4.22 N HETATM 616 CA 4HJ A 52 28.996 -7.528 -10.031 1.00 74.11 C HETATM 617 CAA 4HJ A 52 30.782 -10.304 -7.518 1.00 44.24 C HETATM 618 C 4HJ A 52 28.037 -6.621 -10.702 1.00 70.41 C HETATM 619 O 4HJ A 52 26.989 -6.433 -10.216 1.00 60.32 O HETATM 620 CB 4HJ A 52 30.445 -7.167 -10.416 1.00 74.33 C HETATM 621 OG 4HJ A 52 30.751 -7.304 -11.777 1.00 0.51 O HETATM 622 CZ1 4HJ A 52 30.378 -10.850 -6.327 1.00 70.23 C HETATM 623 CZ2 4HJ A 52 31.461 -9.106 -7.537 1.00 32.45 C HETATM 624 OZ 4HJ A 52 30.309 -10.754 -3.931 1.00 41.22 O HETATM 625 CJ 4HJ A 52 31.882 -4.118 -10.853 1.00 20.44 C HETATM 626 CK 4HJ A 52 32.621 -3.675 -9.551 1.00 15.31 C HETATM 627 CL1 4HJ A 52 32.639 -4.914 -8.646 1.00 14.25 C HETATM 628 CL2 4HJ A 52 31.772 -2.564 -8.920 1.00 71.20 C HETATM 629 CM 4HJ A 52 35.155 -2.902 -8.874 1.00 54.12 C HETATM 630 OM 4HJ A 52 33.899 -1.917 -10.608 1.00 63.14 O HETATM 631 NN 4HJ A 52 35.088 -3.462 -7.661 1.00 11.31 N HETATM 632 ON 4HJ A 52 36.099 -2.189 -9.184 1.00 3.15 O HETATM 633 P 4HJ A 52 31.690 -6.159 -12.382 1.00 1.11 P HETATM 634 O1P 4HJ A 52 30.800 -5.255 -13.137 1.00 73.02 O HETATM 635 O2P 4HJ A 52 32.678 -6.799 -13.256 1.00 41.15 O HETATM 636 O3P 4HJ A 52 32.364 -5.448 -11.244 1.00 75.24 O HETATM 637 CX 4HJ A 52 31.354 -8.948 -5.151 1.00 23.15 C HETATM 638 CL3 4HJ A 52 34.057 -3.160 -9.974 1.00 50.30 C HETATM 639 CO 4HJ A 52 34.461 -2.873 -6.438 1.00 74.42 C HETATM 640 CP 4HJ A 52 34.653 -3.804 -5.229 1.00 72.33 C HETATM 641 CQ 4HJ A 52 34.339 -3.192 -3.855 1.00 44.14 C HETATM 642 CS 4HJ A 52 32.472 -4.340 -2.746 1.00 74.00 C HETATM 643 CT 4HJ A 52 32.206 -5.824 -2.632 1.00 10.24 C HETATM 644 CV 4HJ A 52 31.643 -8.164 -3.915 1.00 31.32 C HETATM 645 CY1 4HJ A 52 30.677 -10.193 -5.119 1.00 74.14 C HETATM 646 CY2 4HJ A 52 31.750 -8.434 -6.376 1.00 41.32 C HETATM 647 NR 4HJ A 52 33.886 -4.046 -2.956 1.00 44.50 N HETATM 648 OR 4HJ A 52 34.507 -1.988 -3.603 1.00 22.02 O HETATM 649 OW 4HJ A 52 31.309 -8.521 -2.778 1.00 50.41 O HETATM 650 SU 4HJ A 52 32.501 -6.651 -4.202 1.00 42.14 S ATOM 680 N ILE A 53 28.257 -6.553 -12.006 1.00 61.21 N ATOM 681 CA ILE A 53 27.547 -5.776 -13.029 1.00 33.50 C ATOM 682 C ILE A 53 25.993 -5.829 -12.849 1.00 52.43 C ATOM 683 O ILE A 53 25.283 -4.863 -13.167 1.00 33.45 O ATOM 684 CB ILE A 53 28.001 -6.320 -14.438 1.00 73.22 C ATOM 685 CG1 ILE A 53 27.874 -5.289 -15.569 1.00 71.31 C ATOM 686 CG2 ILE A 53 27.329 -7.641 -14.817 1.00 72.21 C ATOM 687 CD1 ILE A 53 26.470 -4.839 -15.938 1.00 4.22 C ATOM 0 H ILE A 53 29.014 -7.094 -12.424 1.00 61.21 H new ATOM 0 HA ILE A 53 27.804 -4.721 -12.934 1.00 33.50 H new ATOM 0 HB ILE A 53 29.066 -6.521 -14.319 1.00 73.22 H new ATOM 0 HG12 ILE A 53 28.450 -4.407 -15.289 1.00 71.31 H new ATOM 0 HG13 ILE A 53 28.342 -5.705 -16.461 1.00 71.31 H new ATOM 0 HG21 ILE A 53 27.684 -7.962 -15.797 1.00 72.21 H new ATOM 0 HG22 ILE A 53 27.576 -8.401 -14.075 1.00 72.21 H new ATOM 0 HG23 ILE A 53 26.248 -7.503 -14.850 1.00 72.21 H new ATOM 0 HD11 ILE A 53 26.522 -4.112 -16.749 1.00 4.22 H new ATOM 0 HD12 ILE A 53 25.885 -5.700 -16.260 1.00 4.22 H new ATOM 0 HD13 ILE A 53 25.995 -4.381 -15.070 1.00 4.22 H new ATOM 699 N ARG A 54 25.494 -6.953 -12.319 1.00 35.15 N ATOM 700 CA ARG A 54 24.090 -7.111 -11.943 1.00 1.30 C ATOM 701 C ARG A 54 23.715 -5.942 -11.029 1.00 15.32 C ATOM 702 O ARG A 54 22.795 -5.196 -11.322 1.00 21.30 O ATOM 703 CB ARG A 54 23.894 -8.419 -11.152 1.00 43.13 C ATOM 704 CG ARG A 54 23.813 -9.754 -11.929 1.00 21.22 C ATOM 705 CD ARG A 54 24.955 -9.990 -12.904 1.00 72.11 C ATOM 706 NE ARG A 54 25.257 -11.428 -13.110 1.00 73.25 N ATOM 707 CZ ARG A 54 24.468 -12.414 -13.603 1.00 4.53 C ATOM 708 NH1 ARG A 54 23.223 -12.197 -14.012 1.00 20.43 N ATOM 709 NH2 ARG A 54 24.982 -13.632 -13.678 1.00 12.43 N ATOM 0 H ARG A 54 26.060 -7.782 -12.139 1.00 35.15 H new ATOM 0 HA ARG A 54 23.472 -7.135 -12.840 1.00 1.30 H new ATOM 0 HB2 ARG A 54 24.715 -8.501 -10.440 1.00 43.13 H new ATOM 0 HB3 ARG A 54 22.977 -8.319 -10.571 1.00 43.13 H new ATOM 0 HG2 ARG A 54 23.789 -10.575 -11.213 1.00 21.22 H new ATOM 0 HG3 ARG A 54 22.872 -9.783 -12.478 1.00 21.22 H new ATOM 0 HD2 ARG A 54 24.705 -9.536 -13.863 1.00 72.11 H new ATOM 0 HD3 ARG A 54 25.849 -9.486 -12.536 1.00 72.11 H new ATOM 0 HE ARG A 54 26.197 -11.717 -12.841 1.00 73.25 H new ATOM 0 HH11 ARG A 54 22.826 -11.259 -13.962 1.00 20.43 H new ATOM 0 HH12 ARG A 54 22.664 -12.969 -14.376 1.00 20.43 H new ATOM 0 HH21 ARG A 54 25.940 -13.801 -13.370 1.00 12.43 H new ATOM 0 HH22 ARG A 54 24.420 -14.401 -14.043 1.00 12.43 H new ATOM 723 N LEU A 55 24.547 -5.735 -9.995 1.00 5.24 N ATOM 724 CA LEU A 55 24.354 -4.690 -8.988 1.00 61.32 C ATOM 725 C LEU A 55 24.364 -3.319 -9.639 1.00 61.44 C ATOM 726 O LEU A 55 23.509 -2.495 -9.362 1.00 70.44 O ATOM 727 CB LEU A 55 25.459 -4.717 -7.886 1.00 60.30 C ATOM 728 CG LEU A 55 25.464 -5.848 -6.824 1.00 44.22 C ATOM 729 CD1 LEU A 55 24.187 -5.888 -6.042 1.00 23.02 C ATOM 730 CD2 LEU A 55 25.785 -7.209 -7.402 1.00 3.33 C ATOM 0 H LEU A 55 25.382 -6.299 -9.837 1.00 5.24 H new ATOM 0 HA LEU A 55 23.389 -4.886 -8.520 1.00 61.32 H new ATOM 0 HB2 LEU A 55 26.423 -4.744 -8.394 1.00 60.30 H new ATOM 0 HB3 LEU A 55 25.407 -3.769 -7.351 1.00 60.30 H new ATOM 0 HG LEU A 55 26.274 -5.600 -6.138 1.00 44.22 H new ATOM 0 HD11 LEU A 55 24.234 -6.694 -5.310 1.00 23.02 H new ATOM 0 HD12 LEU A 55 24.046 -4.938 -5.527 1.00 23.02 H new ATOM 0 HD13 LEU A 55 23.351 -6.061 -6.719 1.00 23.02 H new ATOM 0 HD21 LEU A 55 25.772 -7.954 -6.607 1.00 3.33 H new ATOM 0 HD22 LEU A 55 25.041 -7.469 -8.155 1.00 3.33 H new ATOM 0 HD23 LEU A 55 26.773 -7.185 -7.861 1.00 3.33 H new ATOM 742 N MET A 56 25.329 -3.104 -10.532 1.00 73.11 N ATOM 743 CA MET A 56 25.516 -1.817 -11.238 1.00 70.51 C ATOM 744 C MET A 56 24.256 -1.403 -11.975 1.00 22.42 C ATOM 745 O MET A 56 23.898 -0.222 -12.010 1.00 61.43 O ATOM 746 CB MET A 56 26.699 -1.885 -12.219 1.00 2.40 C ATOM 747 CG MET A 56 28.120 -1.886 -11.609 1.00 41.44 C ATOM 748 SD MET A 56 28.427 -3.169 -10.365 1.00 54.00 S ATOM 749 CE MET A 56 27.949 -2.343 -8.843 1.00 43.34 C ATOM 0 H MET A 56 26.012 -3.815 -10.794 1.00 73.11 H new ATOM 0 HA MET A 56 25.736 -1.065 -10.480 1.00 70.51 H new ATOM 0 HB2 MET A 56 26.588 -2.787 -12.821 1.00 2.40 H new ATOM 0 HB3 MET A 56 26.623 -1.037 -12.900 1.00 2.40 H new ATOM 0 HG2 MET A 56 28.844 -2.004 -12.415 1.00 41.44 H new ATOM 0 HG3 MET A 56 28.304 -0.912 -11.156 1.00 41.44 H new ATOM 0 HE1 MET A 56 27.832 -3.081 -8.050 1.00 43.34 H new ATOM 0 HE2 MET A 56 28.720 -1.626 -8.561 1.00 43.34 H new ATOM 0 HE3 MET A 56 27.005 -1.820 -8.994 1.00 43.34 H new ATOM 759 N ARG A 57 23.577 -2.380 -12.536 1.00 61.12 N ATOM 760 CA ARG A 57 22.332 -2.153 -13.211 1.00 41.53 C ATOM 761 C ARG A 57 21.234 -1.725 -12.282 1.00 12.44 C ATOM 762 O ARG A 57 20.400 -0.910 -12.641 1.00 60.41 O ATOM 763 CB ARG A 57 21.934 -3.348 -13.973 1.00 0.31 C ATOM 764 CG ARG A 57 22.640 -3.388 -15.285 1.00 23.12 C ATOM 765 CD ARG A 57 22.133 -4.501 -16.085 1.00 52.35 C ATOM 766 NE ARG A 57 22.799 -5.772 -15.776 1.00 12.32 N ATOM 767 CZ ARG A 57 22.241 -6.825 -15.153 1.00 50.22 C ATOM 768 NH1 ARG A 57 21.106 -6.699 -14.471 1.00 51.24 N ATOM 769 NH2 ARG A 57 22.867 -7.988 -15.163 1.00 64.40 N ATOM 0 H ARG A 57 23.879 -3.354 -12.533 1.00 61.12 H new ATOM 0 HA ARG A 57 22.494 -1.326 -13.902 1.00 41.53 H new ATOM 0 HB2 ARG A 57 22.166 -4.246 -13.401 1.00 0.31 H new ATOM 0 HB3 ARG A 57 20.856 -3.342 -14.133 1.00 0.31 H new ATOM 0 HG2 ARG A 57 22.492 -2.448 -15.817 1.00 23.12 H new ATOM 0 HG3 ARG A 57 23.713 -3.500 -15.128 1.00 23.12 H new ATOM 0 HD2 ARG A 57 21.062 -4.607 -15.915 1.00 52.35 H new ATOM 0 HD3 ARG A 57 22.267 -4.273 -17.143 1.00 52.35 H new ATOM 0 HE ARG A 57 23.774 -5.865 -16.060 1.00 12.32 H new ATOM 0 HH11 ARG A 57 20.643 -5.792 -14.414 1.00 51.24 H new ATOM 0 HH12 ARG A 57 20.698 -7.510 -14.005 1.00 51.24 H new ATOM 0 HH21 ARG A 57 23.764 -8.080 -15.640 1.00 64.40 H new ATOM 0 HH22 ARG A 57 22.454 -8.794 -14.694 1.00 64.40 H new ATOM 783 N TRP A 58 21.262 -2.250 -11.079 1.00 61.54 N ATOM 784 CA TRP A 58 20.282 -1.907 -10.066 1.00 40.05 C ATOM 785 C TRP A 58 20.405 -0.496 -9.643 1.00 70.31 C ATOM 786 O TRP A 58 19.395 0.198 -9.576 1.00 65.14 O ATOM 787 CB TRP A 58 20.271 -2.917 -8.925 1.00 32.11 C ATOM 788 CG TRP A 58 19.997 -4.277 -9.476 1.00 53.30 C ATOM 789 CD1 TRP A 58 20.701 -5.402 -9.242 1.00 32.23 C ATOM 790 CD2 TRP A 58 18.969 -4.632 -10.432 1.00 62.42 C ATOM 791 NE1 TRP A 58 20.202 -6.433 -9.997 1.00 32.02 N ATOM 792 CE2 TRP A 58 19.137 -5.983 -10.726 1.00 32.44 C ATOM 793 CE3 TRP A 58 17.923 -3.932 -11.067 1.00 12.03 C ATOM 794 CZ2 TRP A 58 18.318 -6.655 -11.625 1.00 75.04 C ATOM 795 CZ3 TRP A 58 17.116 -4.605 -11.950 1.00 71.14 C ATOM 796 CH2 TRP A 58 17.319 -5.951 -12.223 1.00 14.04 C ATOM 0 H TRP A 58 21.962 -2.926 -10.772 1.00 61.54 H new ATOM 0 HA TRP A 58 19.289 -1.980 -10.511 1.00 40.05 H new ATOM 0 HB2 TRP A 58 21.230 -2.908 -8.406 1.00 32.11 H new ATOM 0 HB3 TRP A 58 19.510 -2.648 -8.193 1.00 32.11 H new ATOM 0 HD1 TRP A 58 21.535 -5.480 -8.560 1.00 32.23 H new ATOM 0 HE1 TRP A 58 20.568 -7.385 -10.012 1.00 32.02 H new ATOM 0 HE3 TRP A 58 17.759 -2.884 -10.862 1.00 12.03 H new ATOM 0 HZ2 TRP A 58 18.469 -7.702 -11.842 1.00 75.04 H new ATOM 0 HZ3 TRP A 58 16.310 -4.079 -12.440 1.00 71.14 H new ATOM 0 HH2 TRP A 58 16.669 -6.451 -12.926 1.00 14.04 H new ATOM 807 N LEU A 59 21.634 -0.028 -9.461 1.00 54.42 N ATOM 808 CA LEU A 59 21.895 1.389 -9.119 1.00 72.13 C ATOM 809 C LEU A 59 21.182 2.294 -10.063 1.00 75.13 C ATOM 810 O LEU A 59 20.422 3.151 -9.660 1.00 63.24 O ATOM 811 CB LEU A 59 23.384 1.731 -9.202 1.00 15.03 C ATOM 812 CG LEU A 59 24.252 1.406 -8.009 1.00 14.25 C ATOM 813 CD1 LEU A 59 23.815 2.215 -6.806 1.00 62.12 C ATOM 814 CD2 LEU A 59 24.235 -0.070 -7.711 1.00 1.53 C ATOM 0 H LEU A 59 22.475 -0.600 -9.542 1.00 54.42 H new ATOM 0 HA LEU A 59 21.541 1.529 -8.098 1.00 72.13 H new ATOM 0 HB2 LEU A 59 23.798 1.214 -10.067 1.00 15.03 H new ATOM 0 HB3 LEU A 59 23.471 2.800 -9.398 1.00 15.03 H new ATOM 0 HG LEU A 59 25.280 1.677 -8.247 1.00 14.25 H new ATOM 0 HD11 LEU A 59 24.449 1.971 -5.954 1.00 62.12 H new ATOM 0 HD12 LEU A 59 23.903 3.278 -7.031 1.00 62.12 H new ATOM 0 HD13 LEU A 59 22.778 1.979 -6.566 1.00 62.12 H new ATOM 0 HD21 LEU A 59 24.868 -0.274 -6.848 1.00 1.53 H new ATOM 0 HD22 LEU A 59 23.214 -0.386 -7.495 1.00 1.53 H new ATOM 0 HD23 LEU A 59 24.610 -0.620 -8.574 1.00 1.53 H new ATOM 826 N HIS A 60 21.395 2.024 -11.317 1.00 62.42 N ATOM 827 CA HIS A 60 20.878 2.790 -12.418 1.00 52.21 C ATOM 828 C HIS A 60 19.342 2.631 -12.528 1.00 64.03 C ATOM 829 O HIS A 60 18.634 3.543 -12.958 1.00 15.44 O ATOM 830 CB HIS A 60 21.596 2.284 -13.672 1.00 75.32 C ATOM 831 CG HIS A 60 21.322 3.040 -14.954 1.00 3.14 C ATOM 832 ND1 HIS A 60 22.216 3.920 -15.532 1.00 52.02 N ATOM 833 CD2 HIS A 60 20.252 3.001 -15.788 1.00 64.23 C ATOM 834 CE1 HIS A 60 21.673 4.373 -16.668 1.00 73.11 C ATOM 835 NE2 HIS A 60 20.485 3.848 -16.869 1.00 11.21 N ATOM 0 H HIS A 60 21.959 1.228 -11.616 1.00 62.42 H new ATOM 0 HA HIS A 60 21.058 3.856 -12.281 1.00 52.21 H new ATOM 0 HB2 HIS A 60 22.669 2.307 -13.484 1.00 75.32 H new ATOM 0 HB3 HIS A 60 21.322 1.240 -13.825 1.00 75.32 H new ATOM 0 HD2 HIS A 60 19.362 2.408 -15.638 1.00 64.23 H new ATOM 0 HE1 HIS A 60 22.149 5.078 -17.333 1.00 73.11 H new ATOM 0 HE2 HIS A 60 19.861 4.025 -17.656 1.00 11.21 H new ATOM 843 N TRP A 61 18.856 1.513 -12.068 1.00 23.52 N ATOM 844 CA TRP A 61 17.464 1.164 -12.160 1.00 34.13 C ATOM 845 C TRP A 61 16.609 2.005 -11.180 1.00 4.43 C ATOM 846 O TRP A 61 15.626 2.613 -11.567 1.00 50.22 O ATOM 847 CB TRP A 61 17.324 -0.318 -11.894 1.00 41.43 C ATOM 848 CG TRP A 61 16.025 -0.863 -12.299 1.00 10.35 C ATOM 849 CD1 TRP A 61 15.655 -1.204 -13.555 1.00 11.14 C ATOM 850 CD2 TRP A 61 14.926 -1.141 -11.461 1.00 54.05 C ATOM 851 NE1 TRP A 61 14.376 -1.679 -13.553 1.00 62.14 N ATOM 852 CE2 TRP A 61 13.906 -1.651 -12.273 1.00 44.42 C ATOM 853 CE3 TRP A 61 14.706 -1.005 -10.098 1.00 22.40 C ATOM 854 CZ2 TRP A 61 12.689 -2.026 -11.766 1.00 3.50 C ATOM 855 CZ3 TRP A 61 13.496 -1.377 -9.596 1.00 1.43 C ATOM 856 CH2 TRP A 61 12.504 -1.883 -10.430 1.00 24.30 C ATOM 0 H TRP A 61 19.427 0.803 -11.609 1.00 23.52 H new ATOM 0 HA TRP A 61 17.093 1.387 -13.161 1.00 34.13 H new ATOM 0 HB2 TRP A 61 18.114 -0.851 -12.424 1.00 41.43 H new ATOM 0 HB3 TRP A 61 17.472 -0.504 -10.830 1.00 41.43 H new ATOM 0 HD1 TRP A 61 16.280 -1.113 -14.431 1.00 11.14 H new ATOM 0 HE1 TRP A 61 13.859 -2.001 -14.371 1.00 62.14 H new ATOM 0 HE3 TRP A 61 15.476 -0.613 -9.450 1.00 22.40 H new ATOM 0 HZ2 TRP A 61 11.910 -2.419 -12.403 1.00 3.50 H new ATOM 0 HZ3 TRP A 61 13.304 -1.278 -8.538 1.00 1.43 H new ATOM 0 HH2 TRP A 61 11.556 -2.171 -10.000 1.00 24.30 H new ATOM 867 N PHE A 62 16.976 2.033 -9.925 1.00 12.22 N ATOM 868 CA PHE A 62 16.296 2.932 -8.961 1.00 71.24 C ATOM 869 C PHE A 62 16.739 4.348 -9.152 1.00 41.22 C ATOM 870 O PHE A 62 16.077 5.280 -8.708 1.00 74.03 O ATOM 871 CB PHE A 62 16.332 2.503 -7.482 1.00 70.25 C ATOM 872 CG PHE A 62 17.258 1.416 -7.193 1.00 44.31 C ATOM 873 CD1 PHE A 62 18.567 1.675 -6.890 1.00 51.32 C ATOM 874 CD2 PHE A 62 16.814 0.117 -7.247 1.00 13.40 C ATOM 875 CE1 PHE A 62 19.437 0.629 -6.658 1.00 32.33 C ATOM 876 CE2 PHE A 62 17.653 -0.919 -7.013 1.00 55.33 C ATOM 877 CZ PHE A 62 18.966 -0.678 -6.724 1.00 51.40 C ATOM 0 H PHE A 62 17.725 1.465 -9.529 1.00 12.22 H new ATOM 0 HA PHE A 62 15.238 2.848 -9.209 1.00 71.24 H new ATOM 0 HB2 PHE A 62 16.602 3.366 -6.873 1.00 70.25 H new ATOM 0 HB3 PHE A 62 15.330 2.200 -7.180 1.00 70.25 H new ATOM 0 HD1 PHE A 62 18.918 2.695 -6.833 1.00 51.32 H new ATOM 0 HD2 PHE A 62 15.778 -0.081 -7.480 1.00 13.40 H new ATOM 0 HE1 PHE A 62 20.474 0.824 -6.427 1.00 32.33 H new ATOM 0 HE2 PHE A 62 17.285 -1.934 -7.055 1.00 55.33 H new ATOM 0 HZ PHE A 62 19.639 -1.503 -6.546 1.00 51.40 H new ATOM 887 N ARG A 63 17.912 4.513 -9.758 1.00 62.54 N ATOM 888 CA ARG A 63 18.444 5.833 -10.089 1.00 45.55 C ATOM 889 C ARG A 63 17.415 6.625 -10.921 1.00 52.22 C ATOM 890 O ARG A 63 17.401 7.846 -10.876 1.00 54.31 O ATOM 891 CB ARG A 63 19.749 5.728 -10.875 1.00 55.33 C ATOM 892 CG ARG A 63 20.494 7.030 -11.056 1.00 25.31 C ATOM 893 CD ARG A 63 20.937 7.582 -9.718 1.00 0.24 C ATOM 894 NE ARG A 63 21.705 8.829 -9.867 1.00 62.15 N ATOM 895 CZ ARG A 63 22.289 9.488 -8.861 1.00 35.43 C ATOM 896 NH1 ARG A 63 22.085 9.094 -7.599 1.00 24.25 N ATOM 897 NH2 ARG A 63 23.045 10.570 -9.114 1.00 42.23 N ATOM 0 H ARG A 63 18.518 3.740 -10.032 1.00 62.54 H new ATOM 0 HA ARG A 63 18.644 6.352 -9.152 1.00 45.55 H new ATOM 0 HB2 ARG A 63 20.404 5.020 -10.368 1.00 55.33 H new ATOM 0 HB3 ARG A 63 19.530 5.313 -11.859 1.00 55.33 H new ATOM 0 HG2 ARG A 63 21.362 6.872 -11.696 1.00 25.31 H new ATOM 0 HG3 ARG A 63 19.854 7.754 -11.560 1.00 25.31 H new ATOM 0 HD2 ARG A 63 20.063 7.766 -9.094 1.00 0.24 H new ATOM 0 HD3 ARG A 63 21.546 6.840 -9.202 1.00 0.24 H new ATOM 0 HE ARG A 63 21.798 9.218 -10.805 1.00 62.15 H new ATOM 0 HH11 ARG A 63 21.485 8.292 -7.406 1.00 24.25 H new ATOM 0 HH12 ARG A 63 22.530 9.595 -6.830 1.00 24.25 H new ATOM 0 HH21 ARG A 63 23.174 10.889 -10.074 1.00 42.23 H new ATOM 0 HH22 ARG A 63 23.490 11.072 -8.346 1.00 42.23 H new ATOM 911 N LYS A 64 16.551 5.887 -11.675 1.00 61.02 N ATOM 912 CA LYS A 64 15.405 6.464 -12.410 1.00 31.45 C ATOM 913 C LYS A 64 14.592 7.369 -11.527 1.00 62.44 C ATOM 914 O LYS A 64 14.079 8.389 -11.949 1.00 54.14 O ATOM 915 CB LYS A 64 14.435 5.375 -12.807 1.00 30.13 C ATOM 916 CG LYS A 64 14.907 4.411 -13.847 1.00 5.41 C ATOM 917 CD LYS A 64 13.722 3.629 -14.379 1.00 64.23 C ATOM 918 CE LYS A 64 13.182 2.464 -13.457 1.00 31.34 C ATOM 919 NZ LYS A 64 12.737 2.864 -12.077 1.00 60.42 N ATOM 0 H LYS A 64 16.636 4.877 -11.785 1.00 61.02 H new ATOM 0 HA LYS A 64 15.829 6.993 -13.264 1.00 31.45 H new ATOM 0 HB2 LYS A 64 14.171 4.810 -11.913 1.00 30.13 H new ATOM 0 HB3 LYS A 64 13.521 5.847 -13.168 1.00 30.13 H new ATOM 0 HG2 LYS A 64 15.399 4.946 -14.659 1.00 5.41 H new ATOM 0 HG3 LYS A 64 15.645 3.731 -13.421 1.00 5.41 H new ATOM 0 HD2 LYS A 64 12.905 4.327 -14.562 1.00 64.23 H new ATOM 0 HD3 LYS A 64 13.998 3.202 -15.343 1.00 64.23 H new ATOM 0 HE2 LYS A 64 12.343 1.987 -13.963 1.00 31.34 H new ATOM 0 HE3 LYS A 64 13.965 1.712 -13.360 1.00 31.34 H new ATOM 0 HZ1 LYS A 64 11.838 2.392 -11.852 1.00 60.42 H new ATOM 0 HZ2 LYS A 64 13.459 2.582 -11.384 1.00 60.42 H new ATOM 0 HZ3 LYS A 64 12.606 3.895 -12.040 1.00 60.42 H new ATOM 933 N ASN A 65 14.507 6.967 -10.286 1.00 51.34 N ATOM 934 CA ASN A 65 13.633 7.565 -9.321 1.00 52.32 C ATOM 935 C ASN A 65 14.424 8.548 -8.450 1.00 3.44 C ATOM 936 O ASN A 65 13.925 9.044 -7.443 1.00 62.44 O ATOM 937 CB ASN A 65 13.048 6.459 -8.428 1.00 75.22 C ATOM 938 CG ASN A 65 12.620 5.169 -9.163 1.00 0.32 C ATOM 939 OD1 ASN A 65 12.232 5.171 -10.340 1.00 72.11 O ATOM 940 ND2 ASN A 65 12.716 4.054 -8.471 1.00 25.12 N ATOM 0 H ASN A 65 15.059 6.195 -9.913 1.00 51.34 H new ATOM 0 HA ASN A 65 12.831 8.098 -9.832 1.00 52.32 H new ATOM 0 HB2 ASN A 65 13.788 6.197 -7.672 1.00 75.22 H new ATOM 0 HB3 ASN A 65 12.182 6.861 -7.901 1.00 75.22 H new ATOM 0 HD21 ASN A 65 12.468 3.163 -8.902 1.00 25.12 H new ATOM 0 HD22 ASN A 65 13.038 4.080 -7.504 1.00 25.12 H new ATOM 947 N GLY A 66 15.672 8.786 -8.831 1.00 25.42 N ATOM 948 CA GLY A 66 16.515 9.737 -8.130 1.00 4.13 C ATOM 949 C GLY A 66 17.241 9.170 -6.913 1.00 5.25 C ATOM 950 O GLY A 66 17.768 9.931 -6.097 1.00 64.21 O ATOM 0 H GLY A 66 16.122 8.330 -9.625 1.00 25.42 H new ATOM 0 HA2 GLY A 66 17.255 10.129 -8.828 1.00 4.13 H new ATOM 0 HA3 GLY A 66 15.901 10.579 -7.810 1.00 4.13 H new ATOM 954 N TYR A 67 17.309 7.852 -6.785 1.00 50.12 N ATOM 955 CA TYR A 67 17.958 7.258 -5.620 1.00 14.30 C ATOM 956 C TYR A 67 19.474 7.329 -5.655 1.00 75.42 C ATOM 957 O TYR A 67 20.108 7.291 -6.721 1.00 0.35 O ATOM 958 CB TYR A 67 17.439 5.854 -5.317 1.00 12.05 C ATOM 959 CG TYR A 67 16.015 5.898 -4.842 1.00 30.51 C ATOM 960 CD1 TYR A 67 15.715 6.424 -3.592 1.00 63.14 C ATOM 961 CD2 TYR A 67 14.975 5.468 -5.641 1.00 15.43 C ATOM 962 CE1 TYR A 67 14.417 6.529 -3.156 1.00 31.23 C ATOM 963 CE2 TYR A 67 13.664 5.556 -5.204 1.00 21.10 C ATOM 964 CZ TYR A 67 13.394 6.093 -3.961 1.00 14.45 C ATOM 965 OH TYR A 67 12.091 6.231 -3.531 1.00 11.35 O ATOM 0 H TYR A 67 16.932 7.184 -7.457 1.00 50.12 H new ATOM 0 HA TYR A 67 17.668 7.887 -4.778 1.00 14.30 H new ATOM 0 HB2 TYR A 67 17.509 5.236 -6.212 1.00 12.05 H new ATOM 0 HB3 TYR A 67 18.065 5.387 -4.557 1.00 12.05 H new ATOM 0 HD1 TYR A 67 16.518 6.757 -2.951 1.00 63.14 H new ATOM 0 HD2 TYR A 67 15.186 5.058 -6.618 1.00 15.43 H new ATOM 0 HE1 TYR A 67 14.202 6.952 -2.186 1.00 31.23 H new ATOM 0 HE2 TYR A 67 12.858 5.207 -5.832 1.00 21.10 H new ATOM 0 HH TYR A 67 11.539 6.575 -4.264 1.00 11.35 H new ATOM 975 N ARG A 68 20.045 7.490 -4.485 1.00 11.13 N ATOM 976 CA ARG A 68 21.465 7.577 -4.301 1.00 52.33 C ATOM 977 C ARG A 68 21.875 6.429 -3.453 1.00 53.21 C ATOM 978 O ARG A 68 21.283 6.231 -2.416 1.00 31.11 O ATOM 979 CB ARG A 68 21.847 8.848 -3.576 1.00 4.31 C ATOM 980 CG ARG A 68 21.423 10.119 -4.268 1.00 51.35 C ATOM 981 CD ARG A 68 20.023 10.580 -3.843 1.00 20.31 C ATOM 982 NE ARG A 68 19.942 10.802 -2.397 1.00 11.15 N ATOM 983 CZ ARG A 68 19.539 11.921 -1.792 1.00 61.44 C ATOM 984 NH1 ARG A 68 19.117 12.981 -2.485 1.00 42.11 N ATOM 985 NH2 ARG A 68 19.545 11.953 -0.506 1.00 62.24 N ATOM 0 H ARG A 68 19.517 7.565 -3.616 1.00 11.13 H new ATOM 0 HA ARG A 68 21.953 7.570 -5.276 1.00 52.33 H new ATOM 0 HB2 ARG A 68 21.406 8.828 -2.579 1.00 4.31 H new ATOM 0 HB3 ARG A 68 22.929 8.865 -3.446 1.00 4.31 H new ATOM 0 HG2 ARG A 68 22.144 10.907 -4.048 1.00 51.35 H new ATOM 0 HG3 ARG A 68 21.439 9.964 -5.347 1.00 51.35 H new ATOM 0 HD2 ARG A 68 19.768 11.501 -4.368 1.00 20.31 H new ATOM 0 HD3 ARG A 68 19.288 9.831 -4.138 1.00 20.31 H new ATOM 0 HE ARG A 68 20.220 10.027 -1.795 1.00 11.15 H new ATOM 0 HH11 ARG A 68 19.097 12.949 -3.504 1.00 42.11 H new ATOM 0 HH12 ARG A 68 18.815 13.823 -1.995 1.00 42.11 H new ATOM 0 HH21 ARG A 68 19.852 11.137 0.023 1.00 62.24 H new ATOM 0 HH22 ARG A 68 19.242 12.795 -0.015 1.00 62.24 H new ATOM 999 N LEU A 69 22.807 5.631 -3.909 1.00 3.34 N ATOM 1000 CA LEU A 69 23.251 4.483 -3.148 1.00 50.33 C ATOM 1001 C LEU A 69 24.686 4.256 -3.482 1.00 23.21 C ATOM 1002 O LEU A 69 25.089 4.467 -4.635 1.00 54.42 O ATOM 1003 CB LEU A 69 22.437 3.183 -3.481 1.00 12.11 C ATOM 1004 CG LEU A 69 20.890 3.287 -3.560 1.00 70.03 C ATOM 1005 CD1 LEU A 69 20.436 3.846 -4.898 1.00 11.44 C ATOM 1006 CD2 LEU A 69 20.215 1.964 -3.290 1.00 11.44 C ATOM 0 H LEU A 69 23.277 5.753 -4.806 1.00 3.34 H new ATOM 0 HA LEU A 69 23.100 4.689 -2.088 1.00 50.33 H new ATOM 0 HB2 LEU A 69 22.795 2.802 -4.438 1.00 12.11 H new ATOM 0 HB3 LEU A 69 22.682 2.434 -2.728 1.00 12.11 H new ATOM 0 HG LEU A 69 20.588 3.981 -2.775 1.00 70.03 H new ATOM 0 HD11 LEU A 69 19.348 3.905 -4.917 1.00 11.44 H new ATOM 0 HD12 LEU A 69 20.856 4.842 -5.037 1.00 11.44 H new ATOM 0 HD13 LEU A 69 20.779 3.193 -5.700 1.00 11.44 H new ATOM 0 HD21 LEU A 69 19.134 2.087 -3.356 1.00 11.44 H new ATOM 0 HD22 LEU A 69 20.543 1.231 -4.027 1.00 11.44 H new ATOM 0 HD23 LEU A 69 20.480 1.617 -2.291 1.00 11.44 H new ATOM 1018 N THR A 70 25.466 3.892 -2.517 1.00 41.35 N ATOM 1019 CA THR A 70 26.822 3.579 -2.774 1.00 22.14 C ATOM 1020 C THR A 70 26.856 2.119 -3.159 1.00 33.22 C ATOM 1021 O THR A 70 26.164 1.305 -2.560 1.00 73.44 O ATOM 1022 CB THR A 70 27.689 3.793 -1.530 1.00 51.41 C ATOM 1023 OG1 THR A 70 27.266 4.976 -0.855 1.00 43.11 O ATOM 1024 CG2 THR A 70 29.157 3.945 -1.915 1.00 4.50 C ATOM 0 H THR A 70 25.180 3.806 -1.542 1.00 41.35 H new ATOM 0 HA THR A 70 27.215 4.223 -3.560 1.00 22.14 H new ATOM 0 HB THR A 70 27.579 2.925 -0.880 1.00 51.41 H new ATOM 0 HG1 THR A 70 26.433 4.796 -0.371 1.00 43.11 H new ATOM 0 HG21 THR A 70 29.755 4.096 -1.016 1.00 4.50 H new ATOM 0 HG22 THR A 70 29.494 3.044 -2.428 1.00 4.50 H new ATOM 0 HG23 THR A 70 29.273 4.804 -2.576 1.00 4.50 H new ATOM 1032 N LEU A 71 27.702 1.792 -4.092 1.00 4.43 N ATOM 1033 CA LEU A 71 27.766 0.458 -4.697 1.00 44.42 C ATOM 1034 C LEU A 71 27.993 -0.617 -3.648 1.00 42.33 C ATOM 1035 O LEU A 71 27.390 -1.677 -3.675 1.00 13.22 O ATOM 1036 CB LEU A 71 28.901 0.366 -5.737 1.00 14.14 C ATOM 1037 CG LEU A 71 28.881 1.320 -6.965 1.00 61.32 C ATOM 1038 CD1 LEU A 71 27.605 1.176 -7.729 1.00 64.55 C ATOM 1039 CD2 LEU A 71 29.105 2.779 -6.584 1.00 42.35 C ATOM 0 H LEU A 71 28.387 2.444 -4.473 1.00 4.43 H new ATOM 0 HA LEU A 71 26.806 0.295 -5.186 1.00 44.42 H new ATOM 0 HB2 LEU A 71 29.842 0.527 -5.211 1.00 14.14 H new ATOM 0 HB3 LEU A 71 28.918 -0.656 -6.115 1.00 14.14 H new ATOM 0 HG LEU A 71 29.716 1.023 -7.600 1.00 61.32 H new ATOM 0 HD11 LEU A 71 27.614 1.853 -8.583 1.00 64.55 H new ATOM 0 HD12 LEU A 71 27.505 0.149 -8.081 1.00 64.55 H new ATOM 0 HD13 LEU A 71 26.763 1.421 -7.081 1.00 64.55 H new ATOM 0 HD21 LEU A 71 29.081 3.397 -7.481 1.00 42.35 H new ATOM 0 HD22 LEU A 71 28.320 3.101 -5.900 1.00 42.35 H new ATOM 0 HD23 LEU A 71 30.075 2.883 -6.098 1.00 42.35 H new ATOM 1051 N ARG A 72 28.814 -0.283 -2.694 1.00 14.12 N ATOM 1052 CA ARG A 72 29.248 -1.200 -1.665 1.00 65.25 C ATOM 1053 C ARG A 72 28.123 -1.529 -0.673 1.00 31.40 C ATOM 1054 O ARG A 72 28.164 -2.563 -0.024 1.00 31.20 O ATOM 1055 CB ARG A 72 30.493 -0.627 -0.977 1.00 13.31 C ATOM 1056 CG ARG A 72 31.148 -1.538 0.043 1.00 44.35 C ATOM 1057 CD ARG A 72 32.498 -0.982 0.477 1.00 61.01 C ATOM 1058 NE ARG A 72 33.442 -0.889 -0.665 1.00 22.03 N ATOM 1059 CZ ARG A 72 34.489 -0.049 -0.757 1.00 5.13 C ATOM 1060 NH1 ARG A 72 34.763 0.805 0.238 1.00 33.23 N ATOM 1061 NH2 ARG A 72 35.256 -0.073 -1.848 1.00 75.31 N ATOM 0 H ARG A 72 29.212 0.652 -2.603 1.00 14.12 H new ATOM 0 HA ARG A 72 29.513 -2.152 -2.124 1.00 65.25 H new ATOM 0 HB2 ARG A 72 31.228 -0.378 -1.742 1.00 13.31 H new ATOM 0 HB3 ARG A 72 30.218 0.305 -0.483 1.00 13.31 H new ATOM 0 HG2 ARG A 72 30.498 -1.646 0.911 1.00 44.35 H new ATOM 0 HG3 ARG A 72 31.279 -2.533 -0.383 1.00 44.35 H new ATOM 0 HD2 ARG A 72 32.361 0.005 0.918 1.00 61.01 H new ATOM 0 HD3 ARG A 72 32.924 -1.621 1.251 1.00 61.01 H new ATOM 0 HE ARG A 72 33.282 -1.519 -1.451 1.00 22.03 H new ATOM 0 HH11 ARG A 72 34.176 0.821 1.072 1.00 33.23 H new ATOM 0 HH12 ARG A 72 35.558 1.439 0.161 1.00 33.23 H new ATOM 0 HH21 ARG A 72 35.047 -0.725 -2.604 1.00 75.31 H new ATOM 0 HH22 ARG A 72 36.052 0.560 -1.926 1.00 75.31 H new ATOM 1075 N GLU A 73 27.101 -0.678 -0.607 1.00 33.01 N ATOM 1076 CA GLU A 73 25.961 -0.920 0.280 1.00 53.44 C ATOM 1077 C GLU A 73 25.184 -2.127 -0.215 1.00 22.04 C ATOM 1078 O GLU A 73 24.812 -3.011 0.555 1.00 74.51 O ATOM 1079 CB GLU A 73 25.035 0.300 0.317 1.00 60.21 C ATOM 1080 CG GLU A 73 25.668 1.552 0.895 1.00 45.22 C ATOM 1081 CD GLU A 73 24.742 2.750 0.826 1.00 15.42 C ATOM 1082 OE1 GLU A 73 23.694 2.729 1.471 1.00 52.31 O ATOM 1083 OE2 GLU A 73 25.062 3.732 0.115 1.00 44.50 O ATOM 0 H GLU A 73 27.037 0.181 -1.153 1.00 33.01 H new ATOM 0 HA GLU A 73 26.336 -1.105 1.287 1.00 53.44 H new ATOM 0 HB2 GLU A 73 24.696 0.514 -0.697 1.00 60.21 H new ATOM 0 HB3 GLU A 73 24.150 0.051 0.903 1.00 60.21 H new ATOM 0 HG2 GLU A 73 25.946 1.370 1.933 1.00 45.22 H new ATOM 0 HG3 GLU A 73 26.587 1.775 0.353 1.00 45.22 H new ATOM 1090 N LEU A 74 25.035 -2.199 -1.527 1.00 35.42 N ATOM 1091 CA LEU A 74 24.260 -3.257 -2.163 1.00 5.51 C ATOM 1092 C LEU A 74 25.041 -4.561 -2.200 1.00 61.21 C ATOM 1093 O LEU A 74 24.503 -5.599 -2.516 1.00 41.13 O ATOM 1094 CB LEU A 74 23.809 -2.864 -3.581 1.00 33.34 C ATOM 1095 CG LEU A 74 23.115 -1.506 -3.712 1.00 21.43 C ATOM 1096 CD1 LEU A 74 24.110 -0.409 -4.050 1.00 53.52 C ATOM 1097 CD2 LEU A 74 21.977 -1.549 -4.704 1.00 53.42 C ATOM 0 H LEU A 74 25.444 -1.531 -2.180 1.00 35.42 H new ATOM 0 HA LEU A 74 23.366 -3.404 -1.557 1.00 5.51 H new ATOM 0 HB2 LEU A 74 24.683 -2.868 -4.233 1.00 33.34 H new ATOM 0 HB3 LEU A 74 23.132 -3.633 -3.952 1.00 33.34 H new ATOM 0 HG LEU A 74 22.681 -1.269 -2.741 1.00 21.43 H new ATOM 0 HD11 LEU A 74 23.586 0.543 -4.136 1.00 53.52 H new ATOM 0 HD12 LEU A 74 24.859 -0.341 -3.261 1.00 53.52 H new ATOM 0 HD13 LEU A 74 24.600 -0.641 -4.996 1.00 53.52 H new ATOM 0 HD21 LEU A 74 21.512 -0.565 -4.767 1.00 53.42 H new ATOM 0 HD22 LEU A 74 22.360 -1.833 -5.684 1.00 53.42 H new ATOM 0 HD23 LEU A 74 21.237 -2.280 -4.378 1.00 53.42 H new ATOM 1109 N TYR A 75 26.316 -4.477 -1.898 1.00 14.40 N ATOM 1110 CA TYR A 75 27.172 -5.649 -1.807 1.00 20.25 C ATOM 1111 C TYR A 75 27.220 -6.164 -0.403 1.00 53.33 C ATOM 1112 O TYR A 75 27.380 -7.353 -0.183 1.00 2.23 O ATOM 1113 CB TYR A 75 28.582 -5.327 -2.252 1.00 71.51 C ATOM 1114 CG TYR A 75 28.763 -5.293 -3.730 1.00 13.32 C ATOM 1115 CD1 TYR A 75 28.674 -6.454 -4.464 1.00 21.40 C ATOM 1116 CD2 TYR A 75 29.027 -4.119 -4.386 1.00 30.45 C ATOM 1117 CE1 TYR A 75 28.846 -6.445 -5.832 1.00 11.34 C ATOM 1118 CE2 TYR A 75 29.201 -4.089 -5.745 1.00 74.22 C ATOM 1119 CZ TYR A 75 29.111 -5.255 -6.463 1.00 4.21 C ATOM 1120 OH TYR A 75 29.276 -5.222 -7.809 1.00 22.11 O ATOM 0 H TYR A 75 26.794 -3.596 -1.707 1.00 14.40 H new ATOM 0 HA TYR A 75 26.749 -6.410 -2.463 1.00 20.25 H new ATOM 0 HB2 TYR A 75 28.869 -4.360 -1.840 1.00 71.51 H new ATOM 0 HB3 TYR A 75 29.262 -6.068 -1.831 1.00 71.51 H new ATOM 0 HD1 TYR A 75 28.466 -7.387 -3.961 1.00 21.40 H new ATOM 0 HD2 TYR A 75 29.099 -3.201 -3.822 1.00 30.45 H new ATOM 0 HE1 TYR A 75 28.773 -7.361 -6.399 1.00 11.34 H new ATOM 0 HE2 TYR A 75 29.407 -3.155 -6.247 1.00 74.22 H new ATOM 0 HH TYR A 75 30.005 -4.608 -8.034 1.00 22.11 H new ATOM 1130 N ALA A 76 27.097 -5.260 0.548 1.00 30.14 N ATOM 1131 CA ALA A 76 27.157 -5.639 1.935 1.00 12.34 C ATOM 1132 C ALA A 76 25.854 -6.293 2.352 1.00 23.54 C ATOM 1133 O ALA A 76 25.826 -7.167 3.212 1.00 71.43 O ATOM 1134 CB ALA A 76 27.479 -4.440 2.815 1.00 31.30 C ATOM 0 H ALA A 76 26.956 -4.264 0.382 1.00 30.14 H new ATOM 0 HA ALA A 76 27.962 -6.363 2.064 1.00 12.34 H new ATOM 0 HB1 ALA A 76 27.518 -4.754 3.858 1.00 31.30 H new ATOM 0 HB2 ALA A 76 28.444 -4.024 2.525 1.00 31.30 H new ATOM 0 HB3 ALA A 76 26.706 -3.681 2.694 1.00 31.30 H new ATOM 1140 N ALA A 77 24.778 -5.849 1.746 1.00 21.13 N ATOM 1141 CA ALA A 77 23.488 -6.433 1.969 1.00 72.31 C ATOM 1142 C ALA A 77 22.747 -6.549 0.643 1.00 64.55 C ATOM 1143 O ALA A 77 21.986 -5.657 0.266 1.00 42.43 O ATOM 1144 CB ALA A 77 22.682 -5.627 2.983 1.00 54.22 C ATOM 0 H ALA A 77 24.778 -5.072 1.085 1.00 21.13 H new ATOM 0 HA ALA A 77 23.621 -7.430 2.388 1.00 72.31 H new ATOM 0 HB1 ALA A 77 21.709 -6.096 3.130 1.00 54.22 H new ATOM 0 HB2 ALA A 77 23.217 -5.597 3.932 1.00 54.22 H new ATOM 0 HB3 ALA A 77 22.543 -4.611 2.613 1.00 54.22 H new ATOM 1150 N PRO A 78 23.026 -7.595 -0.138 1.00 5.31 N ATOM 1151 CA PRO A 78 22.379 -7.805 -1.399 1.00 5.04 C ATOM 1152 C PRO A 78 21.157 -8.691 -1.261 1.00 64.32 C ATOM 1153 O PRO A 78 21.262 -9.919 -1.382 1.00 12.41 O ATOM 1154 CB PRO A 78 23.455 -8.518 -2.239 1.00 42.53 C ATOM 1155 CG PRO A 78 24.503 -8.983 -1.258 1.00 43.44 C ATOM 1156 CD PRO A 78 24.011 -8.635 0.125 1.00 45.34 C ATOM 0 HA PRO A 78 22.023 -6.873 -1.839 1.00 5.04 H new ATOM 0 HB2 PRO A 78 23.030 -9.360 -2.785 1.00 42.53 H new ATOM 0 HB3 PRO A 78 23.885 -7.842 -2.979 1.00 42.53 H new ATOM 0 HG2 PRO A 78 24.665 -10.057 -1.349 1.00 43.44 H new ATOM 0 HG3 PRO A 78 25.459 -8.499 -1.459 1.00 43.44 H new ATOM 0 HD2 PRO A 78 23.567 -9.496 0.625 1.00 45.34 H new ATOM 0 HD3 PRO A 78 24.818 -8.276 0.764 1.00 45.34 H new ATOM 1164 N THR A 79 20.023 -8.066 -0.969 1.00 61.42 N ATOM 1165 CA THR A 79 18.721 -8.714 -0.834 1.00 42.24 C ATOM 1166 C THR A 79 17.665 -7.657 -1.056 1.00 72.14 C ATOM 1167 O THR A 79 17.906 -6.488 -0.759 1.00 11.15 O ATOM 1168 CB THR A 79 18.498 -9.314 0.590 1.00 10.11 C ATOM 1169 OG1 THR A 79 18.786 -8.334 1.602 1.00 31.14 O ATOM 1170 CG2 THR A 79 19.331 -10.553 0.827 1.00 40.24 C ATOM 0 H THR A 79 19.981 -7.059 -0.814 1.00 61.42 H new ATOM 0 HA THR A 79 18.668 -9.529 -1.556 1.00 42.24 H new ATOM 0 HB THR A 79 17.449 -9.603 0.650 1.00 10.11 H new ATOM 0 HG1 THR A 79 18.639 -8.726 2.488 1.00 31.14 H new ATOM 0 HG21 THR A 79 19.141 -10.933 1.831 1.00 40.24 H new ATOM 0 HG22 THR A 79 19.066 -11.315 0.094 1.00 40.24 H new ATOM 0 HG23 THR A 79 20.388 -10.306 0.727 1.00 40.24 H new ATOM 1178 N LEU A 80 16.500 -8.028 -1.534 1.00 64.30 N ATOM 1179 CA LEU A 80 15.455 -7.048 -1.751 1.00 54.11 C ATOM 1180 C LEU A 80 14.867 -6.642 -0.449 1.00 40.01 C ATOM 1181 O LEU A 80 14.314 -5.569 -0.316 1.00 54.14 O ATOM 1182 CB LEU A 80 14.409 -7.562 -2.692 1.00 44.05 C ATOM 1183 CG LEU A 80 14.917 -7.821 -4.070 1.00 33.53 C ATOM 1184 CD1 LEU A 80 13.822 -8.373 -4.937 1.00 45.44 C ATOM 1185 CD2 LEU A 80 15.473 -6.551 -4.683 1.00 32.33 C ATOM 0 H LEU A 80 16.251 -8.987 -1.778 1.00 64.30 H new ATOM 0 HA LEU A 80 15.895 -6.168 -2.221 1.00 54.11 H new ATOM 0 HB2 LEU A 80 13.992 -8.485 -2.289 1.00 44.05 H new ATOM 0 HB3 LEU A 80 13.594 -6.840 -2.745 1.00 44.05 H new ATOM 0 HG LEU A 80 15.719 -8.556 -4.004 1.00 33.53 H new ATOM 0 HD11 LEU A 80 14.209 -8.557 -5.939 1.00 45.44 H new ATOM 0 HD12 LEU A 80 13.458 -9.308 -4.512 1.00 45.44 H new ATOM 0 HD13 LEU A 80 13.003 -7.655 -4.990 1.00 45.44 H new ATOM 0 HD21 LEU A 80 15.838 -6.762 -5.688 1.00 32.33 H new ATOM 0 HD22 LEU A 80 14.687 -5.797 -4.733 1.00 32.33 H new ATOM 0 HD23 LEU A 80 16.294 -6.180 -4.069 1.00 32.33 H new ATOM 1197 N ALA A 81 14.971 -7.534 0.491 1.00 22.34 N ATOM 1198 CA ALA A 81 14.634 -7.273 1.884 1.00 32.45 C ATOM 1199 C ALA A 81 15.352 -5.999 2.373 1.00 51.13 C ATOM 1200 O ALA A 81 14.729 -5.090 2.924 1.00 23.21 O ATOM 1201 CB ALA A 81 15.024 -8.475 2.754 1.00 0.44 C ATOM 0 H ALA A 81 15.297 -8.485 0.321 1.00 22.34 H new ATOM 0 HA ALA A 81 13.558 -7.119 1.965 1.00 32.45 H new ATOM 0 HB1 ALA A 81 14.768 -8.270 3.794 1.00 0.44 H new ATOM 0 HB2 ALA A 81 14.485 -9.360 2.415 1.00 0.44 H new ATOM 0 HB3 ALA A 81 16.097 -8.651 2.672 1.00 0.44 H new ATOM 1207 N ALA A 82 16.654 -5.922 2.118 1.00 51.12 N ATOM 1208 CA ALA A 82 17.444 -4.766 2.519 1.00 23.41 C ATOM 1209 C ALA A 82 17.282 -3.611 1.536 1.00 32.14 C ATOM 1210 O ALA A 82 17.177 -2.447 1.945 1.00 24.50 O ATOM 1211 CB ALA A 82 18.909 -5.140 2.663 1.00 24.44 C ATOM 0 H ALA A 82 17.184 -6.648 1.635 1.00 51.12 H new ATOM 0 HA ALA A 82 17.073 -4.434 3.488 1.00 23.41 H new ATOM 0 HB1 ALA A 82 19.481 -4.262 2.963 1.00 24.44 H new ATOM 0 HB2 ALA A 82 19.013 -5.917 3.420 1.00 24.44 H new ATOM 0 HB3 ALA A 82 19.286 -5.510 1.709 1.00 24.44 H new ATOM 1217 N TRP A 83 17.227 -3.923 0.243 1.00 21.00 N ATOM 1218 CA TRP A 83 17.104 -2.880 -0.785 1.00 12.22 C ATOM 1219 C TRP A 83 15.774 -2.173 -0.696 1.00 11.21 C ATOM 1220 O TRP A 83 15.660 -1.025 -1.080 1.00 4.14 O ATOM 1221 CB TRP A 83 17.332 -3.404 -2.206 1.00 73.03 C ATOM 1222 CG TRP A 83 18.686 -4.011 -2.447 1.00 53.32 C ATOM 1223 CD1 TRP A 83 19.722 -4.121 -1.560 1.00 54.54 C ATOM 1224 CD2 TRP A 83 19.141 -4.596 -3.660 1.00 3.20 C ATOM 1225 NE1 TRP A 83 20.770 -4.770 -2.141 1.00 5.12 N ATOM 1226 CE2 TRP A 83 20.445 -5.067 -3.435 1.00 53.41 C ATOM 1227 CE3 TRP A 83 18.565 -4.774 -4.914 1.00 72.54 C ATOM 1228 CZ2 TRP A 83 21.177 -5.708 -4.419 1.00 35.53 C ATOM 1229 CZ3 TRP A 83 19.294 -5.408 -5.893 1.00 1.43 C ATOM 1230 CH2 TRP A 83 20.586 -5.871 -5.641 1.00 62.11 C ATOM 0 H TRP A 83 17.265 -4.876 -0.119 1.00 21.00 H new ATOM 0 HA TRP A 83 17.900 -2.165 -0.577 1.00 12.22 H new ATOM 0 HB2 TRP A 83 16.570 -4.151 -2.429 1.00 73.03 H new ATOM 0 HB3 TRP A 83 17.188 -2.583 -2.908 1.00 73.03 H new ATOM 0 HD1 TRP A 83 19.711 -3.748 -0.547 1.00 54.54 H new ATOM 0 HE1 TRP A 83 21.653 -4.997 -1.684 1.00 5.12 H new ATOM 0 HE3 TRP A 83 17.564 -4.421 -5.115 1.00 72.54 H new ATOM 0 HZ2 TRP A 83 22.178 -6.066 -4.229 1.00 35.53 H new ATOM 0 HZ3 TRP A 83 18.860 -5.550 -6.872 1.00 1.43 H new ATOM 0 HH2 TRP A 83 21.131 -6.369 -6.429 1.00 62.11 H new ATOM 1241 N ASN A 84 14.782 -2.858 -0.163 1.00 0.10 N ATOM 1242 CA ASN A 84 13.461 -2.281 0.064 1.00 34.43 C ATOM 1243 C ASN A 84 13.588 -1.096 0.984 1.00 61.04 C ATOM 1244 O ASN A 84 12.999 -0.071 0.753 1.00 64.30 O ATOM 1245 CB ASN A 84 12.517 -3.325 0.681 1.00 41.33 C ATOM 1246 CG ASN A 84 11.111 -2.817 0.933 1.00 21.43 C ATOM 1247 OD1 ASN A 84 10.266 -2.865 0.057 1.00 60.04 O ATOM 1248 ND2 ASN A 84 10.836 -2.376 2.135 1.00 12.11 N ATOM 0 H ASN A 84 14.864 -3.832 0.127 1.00 0.10 H new ATOM 0 HA ASN A 84 13.043 -1.961 -0.890 1.00 34.43 H new ATOM 0 HB2 ASN A 84 12.466 -4.189 0.019 1.00 41.33 H new ATOM 0 HB3 ASN A 84 12.941 -3.670 1.624 1.00 41.33 H new ATOM 0 HD21 ASN A 84 9.892 -2.060 2.359 1.00 12.11 H new ATOM 0 HD22 ASN A 84 11.566 -2.348 2.847 1.00 12.11 H new ATOM 1255 N GLN A 85 14.430 -1.229 1.986 1.00 41.43 N ATOM 1256 CA GLN A 85 14.644 -0.165 2.937 1.00 71.12 C ATOM 1257 C GLN A 85 15.442 0.964 2.274 1.00 71.45 C ATOM 1258 O GLN A 85 15.174 2.152 2.500 1.00 13.43 O ATOM 1259 CB GLN A 85 15.365 -0.697 4.184 1.00 52.54 C ATOM 1260 CG GLN A 85 14.618 -1.823 4.895 1.00 32.23 C ATOM 1261 CD GLN A 85 13.195 -1.445 5.265 1.00 25.32 C ATOM 1262 OE1 GLN A 85 12.267 -1.655 4.493 1.00 63.44 O ATOM 1263 NE2 GLN A 85 13.015 -0.885 6.434 1.00 73.41 N ATOM 0 H GLN A 85 14.980 -2.070 2.162 1.00 41.43 H new ATOM 0 HA GLN A 85 13.681 0.233 3.257 1.00 71.12 H new ATOM 0 HB2 GLN A 85 16.353 -1.055 3.896 1.00 52.54 H new ATOM 0 HB3 GLN A 85 15.515 0.125 4.884 1.00 52.54 H new ATOM 0 HG2 GLN A 85 14.600 -2.703 4.252 1.00 32.23 H new ATOM 0 HG3 GLN A 85 15.162 -2.100 5.798 1.00 32.23 H new ATOM 0 HE21 GLN A 85 13.811 -0.725 7.051 1.00 73.41 H new ATOM 0 HE22 GLN A 85 12.078 -0.608 6.728 1.00 73.41 H new ATOM 1272 N LEU A 86 16.395 0.576 1.422 1.00 64.13 N ATOM 1273 CA LEU A 86 17.202 1.520 0.645 1.00 11.11 C ATOM 1274 C LEU A 86 16.322 2.350 -0.286 1.00 73.45 C ATOM 1275 O LEU A 86 16.529 3.541 -0.456 1.00 74.44 O ATOM 1276 CB LEU A 86 18.254 0.780 -0.190 1.00 61.20 C ATOM 1277 CG LEU A 86 19.386 0.102 0.583 1.00 43.04 C ATOM 1278 CD1 LEU A 86 20.241 -0.705 -0.360 1.00 55.41 C ATOM 1279 CD2 LEU A 86 20.259 1.139 1.253 1.00 44.51 C ATOM 0 H LEU A 86 16.629 -0.402 1.252 1.00 64.13 H new ATOM 0 HA LEU A 86 17.702 2.181 1.352 1.00 11.11 H new ATOM 0 HB2 LEU A 86 17.745 0.022 -0.785 1.00 61.20 H new ATOM 0 HB3 LEU A 86 18.696 1.490 -0.889 1.00 61.20 H new ATOM 0 HG LEU A 86 18.943 -0.549 1.337 1.00 43.04 H new ATOM 0 HD11 LEU A 86 21.045 -1.185 0.198 1.00 55.41 H new ATOM 0 HD12 LEU A 86 19.630 -1.467 -0.843 1.00 55.41 H new ATOM 0 HD13 LEU A 86 20.667 -0.047 -1.118 1.00 55.41 H new ATOM 0 HD21 LEU A 86 21.060 0.642 1.799 1.00 44.51 H new ATOM 0 HD22 LEU A 86 20.689 1.796 0.497 1.00 44.51 H new ATOM 0 HD23 LEU A 86 19.658 1.728 1.946 1.00 44.51 H new ATOM 1291 N MET A 87 15.342 1.701 -0.867 1.00 5.01 N ATOM 1292 CA MET A 87 14.423 2.332 -1.794 1.00 60.55 C ATOM 1293 C MET A 87 13.319 3.094 -1.077 1.00 51.23 C ATOM 1294 O MET A 87 12.998 4.209 -1.442 1.00 72.12 O ATOM 1295 CB MET A 87 13.821 1.287 -2.735 1.00 74.42 C ATOM 1296 CG MET A 87 14.838 0.644 -3.668 1.00 32.50 C ATOM 1297 SD MET A 87 14.157 -0.721 -4.630 1.00 21.15 S ATOM 1298 CE MET A 87 12.812 0.090 -5.479 1.00 21.53 C ATOM 0 H MET A 87 15.155 0.711 -0.711 1.00 5.01 H new ATOM 0 HA MET A 87 14.993 3.057 -2.376 1.00 60.55 H new ATOM 0 HB2 MET A 87 13.343 0.508 -2.141 1.00 74.42 H new ATOM 0 HB3 MET A 87 13.039 1.756 -3.332 1.00 74.42 H new ATOM 0 HG2 MET A 87 15.226 1.401 -4.349 1.00 32.50 H new ATOM 0 HG3 MET A 87 15.681 0.281 -3.081 1.00 32.50 H new ATOM 0 HE1 MET A 87 12.409 -0.576 -6.242 1.00 21.53 H new ATOM 0 HE2 MET A 87 12.028 0.339 -4.764 1.00 21.53 H new ATOM 0 HE3 MET A 87 13.177 1.003 -5.950 1.00 21.53 H new ATOM 1308 N LEU A 88 12.752 2.490 -0.060 1.00 11.41 N ATOM 1309 CA LEU A 88 11.653 3.089 0.676 1.00 71.54 C ATOM 1310 C LEU A 88 12.033 4.285 1.477 1.00 43.30 C ATOM 1311 O LEU A 88 11.419 5.348 1.354 1.00 53.02 O ATOM 1312 CB LEU A 88 11.039 2.105 1.641 1.00 72.13 C ATOM 1313 CG LEU A 88 9.792 1.400 1.201 1.00 24.54 C ATOM 1314 CD1 LEU A 88 9.320 0.523 2.325 1.00 14.51 C ATOM 1315 CD2 LEU A 88 8.738 2.428 0.851 1.00 60.43 C ATOM 0 H LEU A 88 13.035 1.572 0.284 1.00 11.41 H new ATOM 0 HA LEU A 88 10.952 3.392 -0.101 1.00 71.54 H new ATOM 0 HB2 LEU A 88 11.789 1.350 1.876 1.00 72.13 H new ATOM 0 HB3 LEU A 88 10.818 2.634 2.568 1.00 72.13 H new ATOM 0 HG LEU A 88 9.986 0.786 0.321 1.00 24.54 H new ATOM 0 HD11 LEU A 88 8.412 0.001 2.023 1.00 14.51 H new ATOM 0 HD12 LEU A 88 10.094 -0.206 2.568 1.00 14.51 H new ATOM 0 HD13 LEU A 88 9.111 1.136 3.202 1.00 14.51 H new ATOM 0 HD21 LEU A 88 7.828 1.921 0.530 1.00 60.43 H new ATOM 0 HD22 LEU A 88 8.523 3.041 1.726 1.00 60.43 H new ATOM 0 HD23 LEU A 88 9.103 3.063 0.044 1.00 60.43 H new ATOM 1327 N SER A 89 13.000 4.125 2.308 1.00 3.31 N ATOM 1328 CA SER A 89 13.294 5.140 3.238 1.00 61.52 C ATOM 1329 C SER A 89 14.606 5.828 2.934 1.00 34.12 C ATOM 1330 O SER A 89 14.721 7.036 3.135 1.00 10.21 O ATOM 1331 CB SER A 89 13.317 4.534 4.635 1.00 52.42 C ATOM 1332 OG SER A 89 12.115 3.810 4.871 1.00 51.11 O ATOM 0 H SER A 89 13.597 3.300 2.359 1.00 3.31 H new ATOM 0 HA SER A 89 12.519 5.904 3.174 1.00 61.52 H new ATOM 0 HB2 SER A 89 14.177 3.872 4.739 1.00 52.42 H new ATOM 0 HB3 SER A 89 13.429 5.321 5.380 1.00 52.42 H new ATOM 0 HG SER A 89 12.138 3.422 5.771 1.00 51.11 H new ATOM 1338 N ARG A 90 15.576 5.065 2.382 1.00 53.25 N ATOM 1339 CA ARG A 90 16.917 5.424 2.164 1.00 14.13 C ATOM 1340 C ARG A 90 17.717 5.902 3.413 1.00 31.41 C ATOM 1341 O ARG A 90 18.860 5.500 3.586 1.00 60.43 O ATOM 1342 CB ARG A 90 16.979 6.347 1.001 1.00 14.41 C ATOM 1343 CG ARG A 90 18.293 6.886 0.763 1.00 54.44 C ATOM 1344 CD ARG A 90 19.334 5.823 0.428 1.00 63.21 C ATOM 1345 NE ARG A 90 20.687 6.371 0.442 1.00 4.11 N ATOM 1346 CZ ARG A 90 21.807 5.657 0.658 1.00 42.21 C ATOM 1347 NH1 ARG A 90 21.735 4.352 0.892 1.00 21.24 N ATOM 1348 NH2 ARG A 90 22.980 6.262 0.670 1.00 10.05 N ATOM 0 H ARG A 90 15.383 4.114 2.067 1.00 53.25 H new ATOM 0 HA ARG A 90 17.460 4.509 1.927 1.00 14.13 H new ATOM 0 HB2 ARG A 90 16.646 5.817 0.109 1.00 14.41 H new ATOM 0 HB3 ARG A 90 16.282 7.169 1.163 1.00 14.41 H new ATOM 0 HG2 ARG A 90 18.240 7.603 -0.056 1.00 54.44 H new ATOM 0 HG3 ARG A 90 18.617 7.435 1.647 1.00 54.44 H new ATOM 0 HD2 ARG A 90 19.265 5.006 1.146 1.00 63.21 H new ATOM 0 HD3 ARG A 90 19.122 5.402 -0.555 1.00 63.21 H new ATOM 0 HE ARG A 90 20.791 7.372 0.275 1.00 4.11 H new ATOM 0 HH11 ARG A 90 20.828 3.886 0.909 1.00 21.24 H new ATOM 0 HH12 ARG A 90 22.587 3.815 1.055 1.00 21.24 H new ATOM 0 HH21 ARG A 90 23.036 7.269 0.516 1.00 10.05 H new ATOM 0 HH22 ARG A 90 23.830 5.723 0.834 1.00 10.05 H new ATOM 1362 N SER A 91 17.052 6.639 4.261 1.00 42.00 N ATOM 1363 CA SER A 91 17.573 7.371 5.399 1.00 41.34 C ATOM 1364 C SER A 91 18.054 8.703 4.868 1.00 52.33 C ATOM 1365 O SER A 91 19.186 8.820 4.445 1.00 24.04 O ATOM 1366 CB SER A 91 18.661 6.621 6.201 1.00 24.35 C ATOM 1367 OG SER A 91 18.209 5.318 6.551 1.00 74.41 O ATOM 0 H SER A 91 16.043 6.757 4.171 1.00 42.00 H new ATOM 0 HA SER A 91 16.781 7.502 6.137 1.00 41.34 H new ATOM 0 HB2 SER A 91 19.574 6.550 5.609 1.00 24.35 H new ATOM 0 HB3 SER A 91 18.909 7.181 7.103 1.00 24.35 H new ATOM 0 HG SER A 91 18.908 4.854 7.057 1.00 74.41 H new ATOM 1373 N PRO A 92 17.092 9.678 4.751 1.00 1.54 N ATOM 1374 CA PRO A 92 17.302 11.023 4.189 1.00 75.30 C ATOM 1375 C PRO A 92 18.693 11.614 4.314 1.00 31.41 C ATOM 1376 O PRO A 92 19.243 11.775 5.409 1.00 0.21 O ATOM 1377 CB PRO A 92 16.274 11.832 4.936 1.00 74.43 C ATOM 1378 CG PRO A 92 15.107 10.926 4.908 1.00 44.32 C ATOM 1379 CD PRO A 92 15.668 9.537 5.165 1.00 30.12 C ATOM 0 HA PRO A 92 17.198 11.008 3.104 1.00 75.30 H new ATOM 0 HB2 PRO A 92 16.592 12.060 5.953 1.00 74.43 H new ATOM 0 HB3 PRO A 92 16.066 12.783 4.446 1.00 74.43 H new ATOM 0 HG2 PRO A 92 14.377 11.202 5.669 1.00 44.32 H new ATOM 0 HG3 PRO A 92 14.597 10.972 3.946 1.00 44.32 H new ATOM 0 HD2 PRO A 92 15.577 9.251 6.213 1.00 30.12 H new ATOM 0 HD3 PRO A 92 15.150 8.776 4.581 1.00 30.12 H new ATOM 1387 N GLU A 93 19.206 11.934 3.166 1.00 34.53 N ATOM 1388 CA GLU A 93 20.506 12.520 2.977 1.00 53.22 C ATOM 1389 C GLU A 93 20.218 13.887 2.367 1.00 62.31 C ATOM 1390 O GLU A 93 20.458 14.902 3.011 1.00 44.33 O ATOM 1391 CB GLU A 93 21.311 11.701 1.945 1.00 35.42 C ATOM 1392 CG GLU A 93 21.232 10.182 2.099 1.00 2.22 C ATOM 1393 CD GLU A 93 21.503 9.457 0.786 1.00 52.35 C ATOM 1394 OE1 GLU A 93 20.571 9.399 -0.077 1.00 70.42 O ATOM 1395 OE2 GLU A 93 22.597 8.911 0.590 1.00 72.01 O ATOM 1396 OXT GLU A 93 19.617 13.896 1.231 1.00 38.79 O ATOM 0 H GLU A 93 18.707 11.788 2.288 1.00 34.53 H new ATOM 0 HA GLU A 93 21.073 12.561 3.907 1.00 53.22 H new ATOM 0 HB2 GLU A 93 20.962 11.965 0.947 1.00 35.42 H new ATOM 0 HB3 GLU A 93 22.357 12.000 2.007 1.00 35.42 H new ATOM 0 HG2 GLU A 93 21.954 9.856 2.848 1.00 2.22 H new ATOM 0 HG3 GLU A 93 20.244 9.906 2.467 1.00 2.22 H new TER 1403 GLU A 93