USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 840 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 75 SER OG : rot 180:sc= 0.00151 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0.0571 USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0.175 USER MOD Set 2.2: A 53 SER OG : rot 90:sc= 0.00241 USER MOD Set 3.1: A 13 GLN : amide:sc= -0.0587 X(o=-0.08,f=-0.021) USER MOD Set 3.2: A 15 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 1 GLN N :NH3+ -114:sc= 0.137 (180deg=-0.00438) USER MOD Single : A 3 GLN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc=-0.000121 K(o=-0.00012,f=-0.87) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0461 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.99) USER MOD Single : A 25 THR OG1 : rot 5:sc= 1.22 USER MOD Single : A 30 ASN : amide:sc= 0.0247 X(o=0.025,f=-0.00031) USER MOD Single : A 32 ASN : amide:sc= -3.3! C(o=-3.3!,f=-5.6!) USER MOD Single : A 34 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.0083) USER MOD Single : A 35 SER OG : rot 64:sc= 0.944 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 174:sc= -0.616 (180deg=-0.728) USER MOD Single : A 39 SER OG : rot 93:sc= 1.36 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 54 ASN : amide:sc= 0.611 K(o=0.61,f=-3.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= 1.05 (180deg=0.393) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -160:sc= -0.0142 USER MOD Single : A 64 GLN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0507! C(o=-0.051!,f=-4!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 81 GLN : amide:sc= 0.772 K(o=0.77,f=-0.72) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.57) USER MOD Single : A 90 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.3) USER MOD Single : A 94 THR OG1 : rot -31:sc= 0.896 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl -172:sc= 0 (180deg=-0.0188) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.4) USER MOD Single : A 118 SER OG : rot 180:sc= 0.0043 USER MOD Single : A 121 SER OG : rot 160:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= -0.079 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -4.767 13.399 -7.856 1.00 21.04 N ATOM 2 CA GLN A 1 -5.189 14.806 -7.733 1.00 42.21 C ATOM 3 C GLN A 1 -5.790 14.994 -6.350 1.00 72.22 C ATOM 4 O GLN A 1 -6.277 14.024 -5.763 1.00 42.12 O ATOM 5 CB GLN A 1 -6.184 15.213 -8.830 1.00 63.23 C ATOM 6 CG GLN A 1 -5.496 15.448 -10.185 1.00 33.31 C ATOM 7 CD GLN A 1 -6.505 15.419 -11.327 1.00 73.34 C ATOM 8 OE1 GLN A 1 -7.170 14.409 -11.539 1.00 61.11 O ATOM 9 NE2 GLN A 1 -6.623 16.468 -12.111 1.00 32.33 N ATOM 0 H1 GLN A 1 -3.731 13.353 -7.934 1.00 21.04 H new ATOM 0 H2 GLN A 1 -5.075 12.869 -7.016 1.00 21.04 H new ATOM 0 H3 GLN A 1 -5.197 12.981 -8.706 1.00 21.04 H new ATOM 0 HA GLN A 1 -4.322 15.454 -7.862 1.00 42.21 H new ATOM 0 HB2 GLN A 1 -6.939 14.435 -8.939 1.00 63.23 H new ATOM 0 HB3 GLN A 1 -6.704 16.122 -8.527 1.00 63.23 H new ATOM 0 HG2 GLN A 1 -4.983 16.410 -10.174 1.00 33.31 H new ATOM 0 HG3 GLN A 1 -4.736 14.683 -10.348 1.00 33.31 H new ATOM 0 HE21 GLN A 1 -6.068 17.305 -11.930 1.00 32.33 H new ATOM 0 HE22 GLN A 1 -7.269 16.445 -12.900 1.00 32.33 H new ATOM 16 N ALA A 2 -5.742 16.220 -5.834 1.00 24.14 N ATOM 17 CA ALA A 2 -6.412 16.640 -4.622 1.00 73.21 C ATOM 18 C ALA A 2 -6.924 18.058 -4.858 1.00 32.34 C ATOM 19 O ALA A 2 -6.276 19.049 -4.503 1.00 53.41 O ATOM 20 CB ALA A 2 -5.457 16.541 -3.436 1.00 51.21 C ATOM 0 H ALA A 2 -5.212 16.973 -6.272 1.00 24.14 H new ATOM 0 HA ALA A 2 -7.257 15.996 -4.381 1.00 73.21 H new ATOM 0 HB1 ALA A 2 -5.970 16.859 -2.528 1.00 51.21 H new ATOM 0 HB2 ALA A 2 -5.124 15.509 -3.322 1.00 51.21 H new ATOM 0 HB3 ALA A 2 -4.594 17.184 -3.609 1.00 51.21 H new ATOM 26 N GLN A 3 -8.079 18.139 -5.512 1.00 12.12 N ATOM 27 CA GLN A 3 -8.802 19.361 -5.836 1.00 51.20 C ATOM 28 C GLN A 3 -10.256 19.204 -5.389 1.00 74.10 C ATOM 29 O GLN A 3 -10.683 18.113 -4.992 1.00 62.11 O ATOM 30 CB GLN A 3 -8.675 19.645 -7.344 1.00 34.51 C ATOM 31 CG GLN A 3 -7.257 20.110 -7.706 1.00 53.24 C ATOM 32 CD GLN A 3 -7.022 20.088 -9.211 1.00 55.33 C ATOM 33 OE1 GLN A 3 -6.752 19.040 -9.787 1.00 54.21 O ATOM 34 NE2 GLN A 3 -7.097 21.220 -9.891 1.00 1.00 N ATOM 0 H GLN A 3 -8.561 17.306 -5.848 1.00 12.12 H new ATOM 0 HA GLN A 3 -8.381 20.218 -5.310 1.00 51.20 H new ATOM 0 HB2 GLN A 3 -8.920 18.745 -7.908 1.00 34.51 H new ATOM 0 HB3 GLN A 3 -9.396 20.409 -7.634 1.00 34.51 H new ATOM 0 HG2 GLN A 3 -7.098 21.120 -7.328 1.00 53.24 H new ATOM 0 HG3 GLN A 3 -6.527 19.467 -7.215 1.00 53.24 H new ATOM 0 HE21 GLN A 3 -7.322 22.090 -9.409 1.00 1.00 H new ATOM 0 HE22 GLN A 3 -6.930 21.223 -10.897 1.00 1.00 H new ATOM 41 N GLY A 4 -10.992 20.312 -5.390 1.00 15.03 N ATOM 42 CA GLY A 4 -12.315 20.459 -4.808 1.00 54.10 C ATOM 43 C GLY A 4 -12.192 21.451 -3.661 1.00 32.25 C ATOM 44 O GLY A 4 -12.225 22.664 -3.898 1.00 1.03 O ATOM 0 H GLY A 4 -10.660 21.175 -5.821 1.00 15.03 H new ATOM 0 HA2 GLY A 4 -13.026 20.818 -5.553 1.00 54.10 H new ATOM 0 HA3 GLY A 4 -12.687 19.499 -4.449 1.00 54.10 H new ATOM 48 N VAL A 5 -11.960 20.966 -2.439 1.00 52.10 N ATOM 49 CA VAL A 5 -11.847 21.820 -1.263 1.00 73.22 C ATOM 50 C VAL A 5 -10.402 22.287 -1.064 1.00 64.50 C ATOM 51 O VAL A 5 -9.517 21.520 -0.667 1.00 55.14 O ATOM 52 CB VAL A 5 -12.507 21.158 -0.040 1.00 64.32 C ATOM 53 CG1 VAL A 5 -11.788 19.947 0.553 1.00 33.35 C ATOM 54 CG2 VAL A 5 -12.729 22.181 1.070 1.00 72.52 C ATOM 0 H VAL A 5 -11.846 19.972 -2.241 1.00 52.10 H new ATOM 0 HA VAL A 5 -12.412 22.739 -1.415 1.00 73.22 H new ATOM 0 HB VAL A 5 -13.446 20.774 -0.440 1.00 64.32 H new ATOM 0 HG11 VAL A 5 -12.351 19.572 1.408 1.00 33.35 H new ATOM 0 HG12 VAL A 5 -11.710 19.165 -0.202 1.00 33.35 H new ATOM 0 HG13 VAL A 5 -10.789 20.240 0.877 1.00 33.35 H new ATOM 0 HG21 VAL A 5 -13.196 21.694 1.926 1.00 72.52 H new ATOM 0 HG22 VAL A 5 -11.771 22.604 1.372 1.00 72.52 H new ATOM 0 HG23 VAL A 5 -13.379 22.977 0.706 1.00 72.52 H new ATOM 64 N LEU A 6 -10.171 23.554 -1.391 1.00 23.21 N ATOM 65 CA LEU A 6 -9.070 24.412 -0.982 1.00 44.14 C ATOM 66 C LEU A 6 -9.543 25.849 -1.203 1.00 32.15 C ATOM 67 O LEU A 6 -10.434 26.071 -2.028 1.00 42.00 O ATOM 68 CB LEU A 6 -7.788 24.055 -1.746 1.00 21.11 C ATOM 69 CG LEU A 6 -7.799 24.440 -3.233 1.00 63.35 C ATOM 70 CD1 LEU A 6 -7.148 25.803 -3.422 1.00 12.42 C ATOM 71 CD2 LEU A 6 -7.064 23.396 -4.077 1.00 61.44 C ATOM 0 H LEU A 6 -10.813 24.051 -2.008 1.00 23.21 H new ATOM 0 HA LEU A 6 -8.808 24.279 0.068 1.00 44.14 H new ATOM 0 HB2 LEU A 6 -6.944 24.548 -1.263 1.00 21.11 H new ATOM 0 HB3 LEU A 6 -7.619 22.981 -1.664 1.00 21.11 H new ATOM 0 HG LEU A 6 -8.836 24.482 -3.565 1.00 63.35 H new ATOM 0 HD11 LEU A 6 -7.160 26.068 -4.479 1.00 12.42 H new ATOM 0 HD12 LEU A 6 -7.700 26.552 -2.854 1.00 12.42 H new ATOM 0 HD13 LEU A 6 -6.117 25.766 -3.069 1.00 12.42 H new ATOM 0 HD21 LEU A 6 -7.087 23.694 -5.125 1.00 61.44 H new ATOM 0 HD22 LEU A 6 -6.029 23.322 -3.744 1.00 61.44 H new ATOM 0 HD23 LEU A 6 -7.552 22.428 -3.964 1.00 61.44 H new ATOM 82 N ALA A 7 -8.924 26.808 -0.523 1.00 62.30 N ATOM 83 CA ALA A 7 -9.091 28.236 -0.743 1.00 35.11 C ATOM 84 C ALA A 7 -7.721 28.872 -1.005 1.00 71.14 C ATOM 85 O ALA A 7 -6.686 28.198 -1.026 1.00 72.13 O ATOM 86 CB ALA A 7 -9.791 28.855 0.474 1.00 22.22 C ATOM 0 H ALA A 7 -8.265 26.600 0.227 1.00 62.30 H new ATOM 0 HA ALA A 7 -9.715 28.421 -1.617 1.00 35.11 H new ATOM 0 HB1 ALA A 7 -9.919 29.926 0.315 1.00 22.22 H new ATOM 0 HB2 ALA A 7 -10.767 28.389 0.608 1.00 22.22 H new ATOM 0 HB3 ALA A 7 -9.185 28.691 1.365 1.00 22.22 H new ATOM 92 N SER A 8 -7.694 30.187 -1.191 1.00 64.53 N ATOM 93 CA SER A 8 -6.479 30.984 -1.228 1.00 24.40 C ATOM 94 C SER A 8 -6.796 32.314 -0.550 1.00 74.42 C ATOM 95 O SER A 8 -7.961 32.722 -0.534 1.00 1.03 O ATOM 96 CB SER A 8 -6.056 31.162 -2.694 1.00 1.43 C ATOM 97 OG SER A 8 -4.703 31.558 -2.789 1.00 32.34 O ATOM 0 H SER A 8 -8.541 30.740 -1.323 1.00 64.53 H new ATOM 0 HA SER A 8 -5.649 30.510 -0.704 1.00 24.40 H new ATOM 0 HB2 SER A 8 -6.203 30.227 -3.234 1.00 1.43 H new ATOM 0 HB3 SER A 8 -6.691 31.909 -3.171 1.00 1.43 H new ATOM 0 HG SER A 8 -4.458 31.663 -3.732 1.00 32.34 H new ATOM 102 N GLN A 9 -5.794 33.014 -0.029 1.00 61.55 N ATOM 103 CA GLN A 9 -5.906 34.390 0.430 1.00 34.14 C ATOM 104 C GLN A 9 -4.565 35.062 0.150 1.00 24.00 C ATOM 105 O GLN A 9 -3.521 34.421 0.294 1.00 40.21 O ATOM 106 CB GLN A 9 -6.319 34.417 1.915 1.00 31.20 C ATOM 107 CG GLN A 9 -6.398 35.846 2.483 1.00 31.32 C ATOM 108 CD GLN A 9 -7.142 35.948 3.814 1.00 31.13 C ATOM 109 OE1 GLN A 9 -7.808 35.021 4.271 1.00 74.23 O ATOM 110 NE2 GLN A 9 -7.151 37.113 4.428 1.00 40.14 N ATOM 0 H GLN A 9 -4.857 32.628 0.088 1.00 61.55 H new ATOM 0 HA GLN A 9 -6.685 34.942 -0.096 1.00 34.14 H new ATOM 0 HB2 GLN A 9 -7.288 33.932 2.027 1.00 31.20 H new ATOM 0 HB3 GLN A 9 -5.603 33.838 2.498 1.00 31.20 H new ATOM 0 HG2 GLN A 9 -5.386 36.230 2.614 1.00 31.32 H new ATOM 0 HG3 GLN A 9 -6.891 36.489 1.753 1.00 31.32 H new ATOM 0 HE21 GLN A 9 -6.602 37.889 4.058 1.00 40.14 H new ATOM 0 HE22 GLN A 9 -7.707 37.239 5.274 1.00 40.14 H new ATOM 117 N ALA A 10 -4.602 36.337 -0.250 1.00 23.22 N ATOM 118 CA ALA A 10 -3.404 37.139 -0.448 1.00 41.45 C ATOM 119 C ALA A 10 -2.640 37.203 0.870 1.00 44.45 C ATOM 120 O ALA A 10 -3.240 37.528 1.895 1.00 55.55 O ATOM 121 CB ALA A 10 -3.789 38.551 -0.906 1.00 71.11 C ATOM 0 H ALA A 10 -5.469 36.838 -0.444 1.00 23.22 H new ATOM 0 HA ALA A 10 -2.776 36.688 -1.217 1.00 41.45 H new ATOM 0 HB1 ALA A 10 -2.887 39.145 -1.052 1.00 71.11 H new ATOM 0 HB2 ALA A 10 -4.340 38.491 -1.845 1.00 71.11 H new ATOM 0 HB3 ALA A 10 -4.414 39.022 -0.147 1.00 71.11 H new ATOM 127 N LEU A 11 -1.341 36.907 0.833 1.00 35.30 N ATOM 128 CA LEU A 11 -0.480 36.863 2.002 1.00 24.02 C ATOM 129 C LEU A 11 0.665 37.855 1.823 1.00 20.11 C ATOM 130 O LEU A 11 1.527 37.690 0.959 1.00 14.22 O ATOM 131 CB LEU A 11 -0.067 35.416 2.328 1.00 42.11 C ATOM 132 CG LEU A 11 0.792 34.678 1.276 1.00 75.11 C ATOM 133 CD1 LEU A 11 2.268 34.627 1.694 1.00 35.34 C ATOM 134 CD2 LEU A 11 0.302 33.236 1.098 1.00 31.44 C ATOM 0 H LEU A 11 -0.852 36.687 -0.034 1.00 35.30 H new ATOM 0 HA LEU A 11 -1.015 37.189 2.894 1.00 24.02 H new ATOM 0 HB2 LEU A 11 0.483 35.424 3.269 1.00 42.11 H new ATOM 0 HB3 LEU A 11 -0.974 34.834 2.494 1.00 42.11 H new ATOM 0 HG LEU A 11 0.696 35.232 0.342 1.00 75.11 H new ATOM 0 HD11 LEU A 11 2.844 34.101 0.932 1.00 35.34 H new ATOM 0 HD12 LEU A 11 2.651 35.642 1.802 1.00 35.34 H new ATOM 0 HD13 LEU A 11 2.359 34.102 2.645 1.00 35.34 H new ATOM 0 HD21 LEU A 11 0.918 32.732 0.354 1.00 31.44 H new ATOM 0 HD22 LEU A 11 0.375 32.707 2.048 1.00 31.44 H new ATOM 0 HD23 LEU A 11 -0.736 33.243 0.765 1.00 31.44 H new ATOM 145 N SER A 12 0.653 38.927 2.612 1.00 41.23 N ATOM 146 CA SER A 12 1.615 40.023 2.521 1.00 33.24 C ATOM 147 C SER A 12 2.872 39.789 3.365 1.00 43.25 C ATOM 148 O SER A 12 3.848 40.529 3.215 1.00 40.53 O ATOM 149 CB SER A 12 0.933 41.340 2.930 1.00 24.42 C ATOM 150 OG SER A 12 -0.039 41.151 3.947 1.00 72.35 O ATOM 0 H SER A 12 -0.040 39.061 3.348 1.00 41.23 H new ATOM 0 HA SER A 12 1.947 40.078 1.484 1.00 33.24 H new ATOM 0 HB2 SER A 12 1.688 42.044 3.279 1.00 24.42 H new ATOM 0 HB3 SER A 12 0.459 41.788 2.056 1.00 24.42 H new ATOM 0 HG SER A 12 -0.445 42.013 4.176 1.00 72.35 H new ATOM 155 N GLN A 13 2.858 38.796 4.253 1.00 63.03 N ATOM 156 CA GLN A 13 3.693 38.771 5.452 1.00 71.11 C ATOM 157 C GLN A 13 4.348 37.390 5.607 1.00 21.14 C ATOM 158 O GLN A 13 4.349 36.600 4.658 1.00 42.44 O ATOM 159 CB GLN A 13 2.798 39.207 6.630 1.00 14.31 C ATOM 160 CG GLN A 13 1.826 38.101 7.069 1.00 43.31 C ATOM 161 CD GLN A 13 0.549 38.572 7.755 1.00 40.43 C ATOM 162 OE1 GLN A 13 -0.446 37.856 7.714 1.00 0.52 O ATOM 163 NE2 GLN A 13 0.479 39.742 8.362 1.00 24.44 N ATOM 0 H GLN A 13 2.259 37.976 4.158 1.00 63.03 H new ATOM 0 HA GLN A 13 4.532 39.464 5.401 1.00 71.11 H new ATOM 0 HB2 GLN A 13 3.426 39.491 7.474 1.00 14.31 H new ATOM 0 HB3 GLN A 13 2.231 40.092 6.343 1.00 14.31 H new ATOM 0 HG2 GLN A 13 1.550 37.517 6.191 1.00 43.31 H new ATOM 0 HG3 GLN A 13 2.353 37.429 7.746 1.00 43.31 H new ATOM 0 HE21 GLN A 13 1.300 40.346 8.402 1.00 24.44 H new ATOM 0 HE22 GLN A 13 -0.396 40.042 8.791 1.00 24.44 H new ATOM 170 N GLY A 14 4.949 37.090 6.760 1.00 53.23 N ATOM 171 CA GLY A 14 5.493 35.779 7.096 1.00 43.51 C ATOM 172 C GLY A 14 4.368 34.868 7.580 1.00 1.12 C ATOM 173 O GLY A 14 4.285 34.579 8.778 1.00 20.23 O ATOM 0 H GLY A 14 5.073 37.775 7.506 1.00 53.23 H new ATOM 0 HA2 GLY A 14 5.980 35.341 6.224 1.00 43.51 H new ATOM 0 HA3 GLY A 14 6.254 35.877 7.870 1.00 43.51 H new ATOM 177 N SER A 15 3.432 34.532 6.697 1.00 52.25 N ATOM 178 CA SER A 15 2.436 33.494 6.819 1.00 1.20 C ATOM 179 C SER A 15 2.745 32.487 5.707 1.00 2.43 C ATOM 180 O SER A 15 3.370 32.819 4.695 1.00 31.20 O ATOM 181 CB SER A 15 1.025 34.102 6.748 1.00 40.33 C ATOM 182 OG SER A 15 0.921 35.113 5.768 1.00 42.42 O ATOM 0 H SER A 15 3.352 35.025 5.808 1.00 52.25 H new ATOM 0 HA SER A 15 2.465 32.981 7.780 1.00 1.20 H new ATOM 0 HB2 SER A 15 0.304 33.314 6.531 1.00 40.33 H new ATOM 0 HB3 SER A 15 0.762 34.516 7.721 1.00 40.33 H new ATOM 0 HG SER A 15 0.007 35.467 5.759 1.00 42.42 H new ATOM 187 N GLU A 16 2.318 31.252 5.904 1.00 74.01 N ATOM 188 CA GLU A 16 2.509 30.133 4.989 1.00 35.32 C ATOM 189 C GLU A 16 1.183 29.382 4.748 1.00 40.23 C ATOM 190 O GLU A 16 0.309 29.383 5.632 1.00 22.43 O ATOM 191 CB GLU A 16 3.603 29.205 5.544 1.00 75.42 C ATOM 192 CG GLU A 16 3.259 28.574 6.902 1.00 53.11 C ATOM 193 CD GLU A 16 4.280 27.534 7.364 1.00 21.40 C ATOM 194 OE1 GLU A 16 5.461 27.558 6.959 1.00 4.40 O ATOM 195 OE2 GLU A 16 3.918 26.715 8.240 1.00 23.12 O ATOM 0 H GLU A 16 1.804 30.987 6.744 1.00 74.01 H new ATOM 0 HA GLU A 16 2.834 30.509 4.019 1.00 35.32 H new ATOM 0 HB2 GLU A 16 3.790 28.410 4.823 1.00 75.42 H new ATOM 0 HB3 GLU A 16 4.529 29.771 5.642 1.00 75.42 H new ATOM 0 HG2 GLU A 16 3.188 29.361 7.653 1.00 53.11 H new ATOM 0 HG3 GLU A 16 2.277 28.105 6.838 1.00 53.11 H new ATOM 200 N PRO A 17 1.019 28.710 3.589 1.00 64.11 N ATOM 201 CA PRO A 17 -0.133 27.856 3.309 1.00 62.44 C ATOM 202 C PRO A 17 -0.050 26.536 4.088 1.00 3.10 C ATOM 203 O PRO A 17 1.030 26.121 4.523 1.00 60.31 O ATOM 204 CB PRO A 17 -0.087 27.603 1.802 1.00 44.12 C ATOM 205 CG PRO A 17 1.408 27.630 1.487 1.00 42.25 C ATOM 206 CD PRO A 17 1.936 28.695 2.449 1.00 53.34 C ATOM 0 HA PRO A 17 -1.067 28.328 3.616 1.00 62.44 H new ATOM 0 HB2 PRO A 17 -0.536 26.645 1.541 1.00 44.12 H new ATOM 0 HB3 PRO A 17 -0.629 28.370 1.249 1.00 44.12 H new ATOM 0 HG2 PRO A 17 1.876 26.661 1.660 1.00 42.25 H new ATOM 0 HG3 PRO A 17 1.598 27.894 0.447 1.00 42.25 H new ATOM 0 HD2 PRO A 17 2.951 28.460 2.770 1.00 53.34 H new ATOM 0 HD3 PRO A 17 1.972 29.672 1.966 1.00 53.34 H new ATOM 211 N SER A 18 -1.185 25.849 4.242 1.00 61.35 N ATOM 212 CA SER A 18 -1.277 24.573 4.941 1.00 51.54 C ATOM 213 C SER A 18 -2.497 23.797 4.440 1.00 13.44 C ATOM 214 O SER A 18 -3.236 24.287 3.580 1.00 21.14 O ATOM 215 CB SER A 18 -1.319 24.842 6.454 1.00 60.43 C ATOM 216 OG SER A 18 -2.359 25.741 6.811 1.00 41.14 O ATOM 0 H SER A 18 -2.080 26.174 3.876 1.00 61.35 H new ATOM 0 HA SER A 18 -0.405 23.951 4.738 1.00 51.54 H new ATOM 0 HB2 SER A 18 -1.457 23.900 6.985 1.00 60.43 H new ATOM 0 HB3 SER A 18 -0.361 25.251 6.775 1.00 60.43 H new ATOM 0 HG SER A 18 -2.351 25.882 7.781 1.00 41.14 H new ATOM 221 N SER A 19 -2.726 22.602 4.982 1.00 74.25 N ATOM 222 CA SER A 19 -3.982 21.872 4.865 1.00 51.54 C ATOM 223 C SER A 19 -4.191 21.035 6.136 1.00 0.32 C ATOM 224 O SER A 19 -3.232 20.741 6.859 1.00 4.34 O ATOM 225 CB SER A 19 -3.972 21.021 3.582 1.00 51.51 C ATOM 226 OG SER A 19 -2.851 20.151 3.513 1.00 41.42 O ATOM 0 H SER A 19 -2.023 22.104 5.528 1.00 74.25 H new ATOM 0 HA SER A 19 -4.824 22.558 4.779 1.00 51.54 H new ATOM 0 HB2 SER A 19 -4.888 20.432 3.534 1.00 51.51 H new ATOM 0 HB3 SER A 19 -3.970 21.680 2.713 1.00 51.51 H new ATOM 0 HG SER A 19 -2.891 19.632 2.683 1.00 41.42 H new ATOM 231 N GLU A 20 -5.421 20.604 6.399 1.00 1.44 N ATOM 232 CA GLU A 20 -5.765 19.560 7.356 1.00 42.33 C ATOM 233 C GLU A 20 -6.950 18.765 6.773 1.00 72.12 C ATOM 234 O GLU A 20 -7.218 18.861 5.573 1.00 31.12 O ATOM 235 CB GLU A 20 -6.031 20.145 8.761 1.00 21.02 C ATOM 236 CG GLU A 20 -5.495 19.165 9.822 1.00 62.22 C ATOM 237 CD GLU A 20 -5.986 19.429 11.247 1.00 51.12 C ATOM 238 OE1 GLU A 20 -6.056 20.611 11.653 1.00 14.52 O ATOM 239 OE2 GLU A 20 -6.240 18.425 11.962 1.00 64.04 O ATOM 0 H GLU A 20 -6.240 20.990 5.930 1.00 1.44 H new ATOM 0 HA GLU A 20 -4.931 18.874 7.504 1.00 42.33 H new ATOM 0 HB2 GLU A 20 -5.544 21.115 8.864 1.00 21.02 H new ATOM 0 HB3 GLU A 20 -7.099 20.308 8.905 1.00 21.02 H new ATOM 0 HG2 GLU A 20 -5.779 18.152 9.537 1.00 62.22 H new ATOM 0 HG3 GLU A 20 -4.406 19.204 9.815 1.00 62.22 H new ATOM 244 N ASN A 21 -7.641 17.954 7.587 1.00 60.32 N ATOM 245 CA ASN A 21 -8.834 17.165 7.243 1.00 43.44 C ATOM 246 C ASN A 21 -8.593 16.065 6.202 1.00 2.12 C ATOM 247 O ASN A 21 -9.545 15.364 5.855 1.00 34.34 O ATOM 248 CB ASN A 21 -10.013 18.050 6.772 1.00 31.12 C ATOM 249 CG ASN A 21 -10.444 19.163 7.714 1.00 3.03 C ATOM 250 OD1 ASN A 21 -10.651 20.295 7.285 1.00 33.31 O ATOM 251 ND2 ASN A 21 -10.650 18.878 8.986 1.00 71.14 N ATOM 0 H ASN A 21 -7.366 17.823 8.561 1.00 60.32 H new ATOM 0 HA ASN A 21 -9.092 16.675 8.182 1.00 43.44 H new ATOM 0 HB2 ASN A 21 -9.743 18.498 5.816 1.00 31.12 H new ATOM 0 HB3 ASN A 21 -10.873 17.405 6.590 1.00 31.12 H new ATOM 0 HD21 ASN A 21 -10.984 19.601 9.623 1.00 71.14 H new ATOM 0 HD22 ASN A 21 -10.475 17.935 9.332 1.00 71.14 H new ATOM 257 N ALA A 22 -7.380 15.901 5.668 1.00 72.32 N ATOM 258 CA ALA A 22 -7.092 14.938 4.614 1.00 32.42 C ATOM 259 C ALA A 22 -5.691 14.381 4.778 1.00 35.33 C ATOM 260 O ALA A 22 -4.720 14.953 4.269 1.00 22.00 O ATOM 261 CB ALA A 22 -7.277 15.579 3.239 1.00 63.35 C ATOM 0 H ALA A 22 -6.566 16.441 5.961 1.00 72.32 H new ATOM 0 HA ALA A 22 -7.795 14.109 4.693 1.00 32.42 H new ATOM 0 HB1 ALA A 22 -7.058 14.845 2.463 1.00 63.35 H new ATOM 0 HB2 ALA A 22 -8.306 15.923 3.133 1.00 63.35 H new ATOM 0 HB3 ALA A 22 -6.599 16.427 3.139 1.00 63.35 H new ATOM 267 N ASN A 23 -5.564 13.301 5.548 1.00 60.42 N ATOM 268 CA ASN A 23 -4.309 12.618 5.774 1.00 61.22 C ATOM 269 C ASN A 23 -4.513 11.183 6.231 1.00 75.24 C ATOM 270 O ASN A 23 -4.961 10.931 7.345 1.00 22.34 O ATOM 271 CB ASN A 23 -3.416 13.411 6.723 1.00 53.12 C ATOM 272 CG ASN A 23 -3.724 13.449 8.217 1.00 14.34 C ATOM 273 OD1 ASN A 23 -2.802 13.381 9.018 1.00 52.15 O ATOM 274 ND2 ASN A 23 -4.961 13.595 8.654 1.00 20.31 N ATOM 0 H ASN A 23 -6.351 12.875 6.038 1.00 60.42 H new ATOM 0 HA ASN A 23 -3.790 12.558 4.818 1.00 61.22 H new ATOM 0 HB2 ASN A 23 -2.403 13.024 6.612 1.00 53.12 H new ATOM 0 HB3 ASN A 23 -3.404 14.442 6.369 1.00 53.12 H new ATOM 0 HD21 ASN A 23 -5.145 13.651 9.656 1.00 20.31 H new ATOM 0 HD22 ASN A 23 -5.733 13.652 7.990 1.00 20.31 H new ATOM 280 N ASP A 24 -4.154 10.258 5.348 1.00 75.15 N ATOM 281 CA ASP A 24 -4.029 8.829 5.604 1.00 55.33 C ATOM 282 C ASP A 24 -3.338 8.201 4.401 1.00 71.03 C ATOM 283 O ASP A 24 -3.836 8.278 3.279 1.00 62.32 O ATOM 284 CB ASP A 24 -5.364 8.119 5.878 1.00 64.44 C ATOM 285 CG ASP A 24 -6.496 8.495 4.923 1.00 12.10 C ATOM 286 OD1 ASP A 24 -7.204 9.486 5.210 1.00 23.14 O ATOM 287 OD2 ASP A 24 -6.713 7.810 3.903 1.00 14.12 O ATOM 0 H ASP A 24 -3.930 10.499 4.382 1.00 75.15 H new ATOM 0 HA ASP A 24 -3.448 8.706 6.518 1.00 55.33 H new ATOM 0 HB2 ASP A 24 -5.205 7.042 5.824 1.00 64.44 H new ATOM 0 HB3 ASP A 24 -5.677 8.345 6.897 1.00 64.44 H new ATOM 291 N THR A 25 -2.150 7.639 4.605 1.00 64.24 N ATOM 292 CA THR A 25 -1.387 6.877 3.607 1.00 34.31 C ATOM 293 C THR A 25 -0.322 6.077 4.368 1.00 63.14 C ATOM 294 O THR A 25 0.375 6.635 5.224 1.00 43.21 O ATOM 295 CB THR A 25 -0.753 7.836 2.571 1.00 41.21 C ATOM 296 OG1 THR A 25 -1.721 8.425 1.726 1.00 74.13 O ATOM 297 CG2 THR A 25 0.252 7.162 1.638 1.00 42.35 C ATOM 0 H THR A 25 -1.669 7.701 5.503 1.00 64.24 H new ATOM 0 HA THR A 25 -2.031 6.197 3.049 1.00 34.31 H new ATOM 0 HB THR A 25 -0.250 8.578 3.192 1.00 41.21 H new ATOM 0 HG1 THR A 25 -2.617 8.162 2.022 1.00 74.13 H new ATOM 0 HG21 THR A 25 0.652 7.899 0.941 1.00 42.35 H new ATOM 0 HG22 THR A 25 1.066 6.738 2.226 1.00 42.35 H new ATOM 0 HG23 THR A 25 -0.245 6.368 1.081 1.00 42.35 H new ATOM 305 N ILE A 26 -0.184 4.780 4.094 1.00 64.14 N ATOM 306 CA ILE A 26 0.958 4.020 4.592 1.00 32.30 C ATOM 307 C ILE A 26 2.058 4.121 3.527 1.00 62.14 C ATOM 308 O ILE A 26 1.807 4.336 2.338 1.00 75.35 O ATOM 309 CB ILE A 26 0.553 2.570 4.936 1.00 3.20 C ATOM 310 CG1 ILE A 26 -0.602 2.477 5.957 1.00 2.22 C ATOM 311 CG2 ILE A 26 1.735 1.695 5.394 1.00 44.33 C ATOM 312 CD1 ILE A 26 -0.306 2.963 7.376 1.00 11.20 C ATOM 0 H ILE A 26 -0.843 4.239 3.535 1.00 64.14 H new ATOM 0 HA ILE A 26 1.336 4.427 5.530 1.00 32.30 H new ATOM 0 HB ILE A 26 0.190 2.170 3.989 1.00 3.20 H new ATOM 0 HG12 ILE A 26 -1.445 3.050 5.570 1.00 2.22 H new ATOM 0 HG13 ILE A 26 -0.923 1.437 6.014 1.00 2.22 H new ATOM 0 HG21 ILE A 26 1.378 0.690 5.619 1.00 44.33 H new ATOM 0 HG22 ILE A 26 2.480 1.646 4.600 1.00 44.33 H new ATOM 0 HG23 ILE A 26 2.184 2.129 6.287 1.00 44.33 H new ATOM 0 HD11 ILE A 26 -1.196 2.845 7.994 1.00 11.20 H new ATOM 0 HD12 ILE A 26 0.510 2.377 7.799 1.00 11.20 H new ATOM 0 HD13 ILE A 26 -0.020 4.015 7.348 1.00 11.20 H new ATOM 323 N ILE A 27 3.292 3.946 3.974 1.00 23.33 N ATOM 324 CA ILE A 27 4.506 3.861 3.182 1.00 74.45 C ATOM 325 C ILE A 27 5.217 2.619 3.712 1.00 1.53 C ATOM 326 O ILE A 27 5.068 2.299 4.892 1.00 13.21 O ATOM 327 CB ILE A 27 5.308 5.176 3.337 1.00 71.34 C ATOM 328 CG1 ILE A 27 6.454 5.392 2.325 1.00 11.52 C ATOM 329 CG2 ILE A 27 5.895 5.332 4.742 1.00 14.41 C ATOM 330 CD1 ILE A 27 5.961 6.104 1.066 1.00 32.24 C ATOM 0 H ILE A 27 3.483 3.853 4.972 1.00 23.33 H new ATOM 0 HA ILE A 27 4.346 3.759 2.109 1.00 74.45 H new ATOM 0 HB ILE A 27 4.551 5.933 3.135 1.00 71.34 H new ATOM 0 HG12 ILE A 27 7.246 5.979 2.790 1.00 11.52 H new ATOM 0 HG13 ILE A 27 6.888 4.430 2.054 1.00 11.52 H new ATOM 0 HG21 ILE A 27 6.449 6.269 4.803 1.00 14.41 H new ATOM 0 HG22 ILE A 27 5.088 5.339 5.475 1.00 14.41 H new ATOM 0 HG23 ILE A 27 6.567 4.499 4.950 1.00 14.41 H new ATOM 0 HD11 ILE A 27 6.793 6.240 0.375 1.00 32.24 H new ATOM 0 HD12 ILE A 27 5.187 5.504 0.588 1.00 32.24 H new ATOM 0 HD13 ILE A 27 5.551 7.077 1.335 1.00 32.24 H new ATOM 341 N LEU A 28 5.976 1.915 2.882 1.00 12.32 N ATOM 342 CA LEU A 28 6.810 0.809 3.332 1.00 25.04 C ATOM 343 C LEU A 28 8.250 1.279 3.312 1.00 71.43 C ATOM 344 O LEU A 28 8.588 2.155 2.515 1.00 64.44 O ATOM 345 CB LEU A 28 6.681 -0.439 2.448 1.00 41.15 C ATOM 346 CG LEU A 28 5.323 -1.156 2.428 1.00 11.30 C ATOM 347 CD1 LEU A 28 4.843 -1.571 3.822 1.00 54.12 C ATOM 348 CD2 LEU A 28 4.237 -0.345 1.716 1.00 51.42 C ATOM 0 H LEU A 28 6.031 2.095 1.879 1.00 12.32 H new ATOM 0 HA LEU A 28 6.483 0.523 4.332 1.00 25.04 H new ATOM 0 HB2 LEU A 28 6.926 -0.153 1.425 1.00 41.15 H new ATOM 0 HB3 LEU A 28 7.436 -1.157 2.768 1.00 41.15 H new ATOM 0 HG LEU A 28 5.497 -2.066 1.854 1.00 11.30 H new ATOM 0 HD11 LEU A 28 3.879 -2.072 3.740 1.00 54.12 H new ATOM 0 HD12 LEU A 28 5.569 -2.250 4.269 1.00 54.12 H new ATOM 0 HD13 LEU A 28 4.740 -0.686 4.450 1.00 54.12 H new ATOM 0 HD21 LEU A 28 3.299 -0.900 1.732 1.00 51.42 H new ATOM 0 HD22 LEU A 28 4.103 0.609 2.225 1.00 51.42 H new ATOM 0 HD23 LEU A 28 4.535 -0.166 0.683 1.00 51.42 H new ATOM 359 N ARG A 29 9.106 0.654 4.112 1.00 62.13 N ATOM 360 CA ARG A 29 10.550 0.854 4.105 1.00 72.02 C ATOM 361 C ARG A 29 11.245 -0.498 4.156 1.00 32.10 C ATOM 362 O ARG A 29 10.606 -1.512 4.447 1.00 53.11 O ATOM 363 CB ARG A 29 10.964 1.727 5.306 1.00 20.11 C ATOM 364 CG ARG A 29 10.614 3.205 5.106 1.00 41.53 C ATOM 365 CD ARG A 29 11.351 4.087 6.126 1.00 1.52 C ATOM 366 NE ARG A 29 11.825 5.342 5.519 1.00 35.32 N ATOM 367 CZ ARG A 29 12.602 6.252 6.115 1.00 14.10 C ATOM 368 NH1 ARG A 29 13.015 6.095 7.367 1.00 74.45 N ATOM 369 NH2 ARG A 29 12.981 7.320 5.434 1.00 22.31 N ATOM 0 H ARG A 29 8.804 -0.029 4.807 1.00 62.13 H new ATOM 0 HA ARG A 29 10.846 1.368 3.191 1.00 72.02 H new ATOM 0 HB2 ARG A 29 10.471 1.359 6.206 1.00 20.11 H new ATOM 0 HB3 ARG A 29 12.037 1.630 5.469 1.00 20.11 H new ATOM 0 HG2 ARG A 29 10.880 3.512 4.095 1.00 41.53 H new ATOM 0 HG3 ARG A 29 9.538 3.345 5.209 1.00 41.53 H new ATOM 0 HD2 ARG A 29 10.685 4.314 6.959 1.00 1.52 H new ATOM 0 HD3 ARG A 29 12.199 3.538 6.536 1.00 1.52 H new ATOM 0 HE ARG A 29 11.535 5.534 4.560 1.00 35.32 H new ATOM 0 HH11 ARG A 29 12.740 5.267 7.895 1.00 74.45 H new ATOM 0 HH12 ARG A 29 13.607 6.803 7.801 1.00 74.45 H new ATOM 0 HH21 ARG A 29 12.681 7.441 4.467 1.00 22.31 H new ATOM 0 HH22 ARG A 29 13.574 8.023 5.876 1.00 22.31 H new ATOM 380 N ASN A 30 12.567 -0.477 3.972 1.00 63.13 N ATOM 381 CA ASN A 30 13.481 -1.603 4.155 1.00 73.32 C ATOM 382 C ASN A 30 13.154 -2.737 3.180 1.00 50.14 C ATOM 383 O ASN A 30 12.714 -3.818 3.574 1.00 41.43 O ATOM 384 CB ASN A 30 13.463 -2.055 5.623 1.00 12.41 C ATOM 385 CG ASN A 30 14.713 -2.835 5.965 1.00 70.05 C ATOM 386 OD1 ASN A 30 15.608 -2.280 6.593 1.00 22.33 O ATOM 387 ND2 ASN A 30 14.801 -4.092 5.581 1.00 74.01 N ATOM 0 H ASN A 30 13.052 0.370 3.676 1.00 63.13 H new ATOM 0 HA ASN A 30 14.498 -1.286 3.924 1.00 73.32 H new ATOM 0 HB2 ASN A 30 13.383 -1.185 6.274 1.00 12.41 H new ATOM 0 HB3 ASN A 30 12.583 -2.672 5.807 1.00 12.41 H new ATOM 0 HD21 ASN A 30 15.634 -4.637 5.805 1.00 74.01 H new ATOM 0 HD22 ASN A 30 14.036 -4.521 5.060 1.00 74.01 H new ATOM 393 N LEU A 31 13.353 -2.461 1.889 1.00 22.30 N ATOM 394 CA LEU A 31 13.009 -3.359 0.798 1.00 72.23 C ATOM 395 C LEU A 31 14.229 -3.512 -0.094 1.00 41.45 C ATOM 396 O LEU A 31 14.782 -2.491 -0.511 1.00 42.43 O ATOM 397 CB LEU A 31 11.820 -2.784 0.006 1.00 53.25 C ATOM 398 CG LEU A 31 10.542 -2.605 0.841 1.00 45.53 C ATOM 399 CD1 LEU A 31 9.474 -1.842 0.065 1.00 5.13 C ATOM 400 CD2 LEU A 31 9.951 -3.951 1.231 1.00 10.34 C ATOM 0 H LEU A 31 13.768 -1.585 1.572 1.00 22.30 H new ATOM 0 HA LEU A 31 12.715 -4.335 1.183 1.00 72.23 H new ATOM 0 HB2 LEU A 31 12.107 -1.819 -0.412 1.00 53.25 H new ATOM 0 HB3 LEU A 31 11.603 -3.443 -0.835 1.00 53.25 H new ATOM 0 HG LEU A 31 10.830 -2.045 1.731 1.00 45.53 H new ATOM 0 HD11 LEU A 31 8.583 -1.733 0.684 1.00 5.13 H new ATOM 0 HD12 LEU A 31 9.853 -0.856 -0.203 1.00 5.13 H new ATOM 0 HD13 LEU A 31 9.221 -2.391 -0.842 1.00 5.13 H new ATOM 0 HD21 LEU A 31 9.048 -3.795 1.821 1.00 10.34 H new ATOM 0 HD22 LEU A 31 9.704 -4.514 0.331 1.00 10.34 H new ATOM 0 HD23 LEU A 31 10.677 -4.510 1.821 1.00 10.34 H new ATOM 411 N ASN A 32 14.636 -4.739 -0.441 1.00 74.44 N ATOM 412 CA ASN A 32 15.726 -4.931 -1.386 1.00 34.12 C ATOM 413 C ASN A 32 15.298 -4.511 -2.796 1.00 25.14 C ATOM 414 O ASN A 32 14.091 -4.499 -3.062 1.00 11.22 O ATOM 415 CB ASN A 32 16.136 -6.410 -1.352 1.00 5.40 C ATOM 416 CG ASN A 32 17.599 -6.548 -1.011 1.00 10.43 C ATOM 417 OD1 ASN A 32 18.162 -5.758 -0.269 1.00 11.22 O ATOM 418 ND2 ASN A 32 18.279 -7.540 -1.511 1.00 14.44 N ATOM 0 H ASN A 32 14.227 -5.602 -0.082 1.00 74.44 H new ATOM 0 HA ASN A 32 16.576 -4.308 -1.108 1.00 34.12 H new ATOM 0 HB2 ASN A 32 15.534 -6.943 -0.616 1.00 5.40 H new ATOM 0 HB3 ASN A 32 15.938 -6.870 -2.320 1.00 5.40 H new ATOM 0 HD21 ASN A 32 19.267 -7.648 -1.281 1.00 14.44 H new ATOM 0 HD22 ASN A 32 17.824 -8.209 -2.132 1.00 14.44 H new ATOM 424 N PRO A 33 16.218 -4.201 -3.727 1.00 34.20 N ATOM 425 CA PRO A 33 15.851 -3.669 -5.037 1.00 41.15 C ATOM 426 C PRO A 33 14.910 -4.567 -5.852 1.00 41.22 C ATOM 427 O PRO A 33 14.151 -4.031 -6.657 1.00 70.32 O ATOM 428 CB PRO A 33 17.165 -3.368 -5.767 1.00 30.02 C ATOM 429 CG PRO A 33 18.263 -4.025 -4.931 1.00 32.30 C ATOM 430 CD PRO A 33 17.658 -4.143 -3.537 1.00 21.02 C ATOM 0 HA PRO A 33 15.256 -2.765 -4.905 1.00 41.15 H new ATOM 0 HB2 PRO A 33 17.151 -3.770 -6.780 1.00 30.02 H new ATOM 0 HB3 PRO A 33 17.328 -2.294 -5.853 1.00 30.02 H new ATOM 0 HG2 PRO A 33 18.535 -5.002 -5.330 1.00 32.30 H new ATOM 0 HG3 PRO A 33 19.170 -3.421 -4.921 1.00 32.30 H new ATOM 0 HD2 PRO A 33 18.021 -5.037 -3.029 1.00 21.02 H new ATOM 0 HD3 PRO A 33 17.936 -3.290 -2.918 1.00 21.02 H new ATOM 435 N HIS A 34 14.906 -5.885 -5.616 1.00 73.15 N ATOM 436 CA HIS A 34 14.049 -6.847 -6.313 1.00 52.12 C ATOM 437 C HIS A 34 12.772 -7.191 -5.536 1.00 50.12 C ATOM 438 O HIS A 34 12.079 -8.141 -5.911 1.00 50.32 O ATOM 439 CB HIS A 34 14.851 -8.124 -6.599 1.00 44.41 C ATOM 440 CG HIS A 34 15.911 -7.947 -7.659 1.00 42.31 C ATOM 441 ND1 HIS A 34 16.063 -8.710 -8.793 1.00 11.24 N ATOM 442 CD2 HIS A 34 16.898 -6.998 -7.671 1.00 51.24 C ATOM 443 CE1 HIS A 34 17.125 -8.231 -9.460 1.00 70.31 C ATOM 444 NE2 HIS A 34 17.687 -7.205 -8.800 1.00 72.43 N ATOM 0 H HIS A 34 15.512 -6.320 -4.920 1.00 73.15 H new ATOM 0 HA HIS A 34 13.727 -6.380 -7.244 1.00 52.12 H new ATOM 0 HB2 HIS A 34 15.324 -8.460 -5.676 1.00 44.41 H new ATOM 0 HB3 HIS A 34 14.165 -8.912 -6.911 1.00 44.41 H new ATOM 0 HD2 HIS A 34 17.040 -6.223 -6.933 1.00 51.24 H new ATOM 0 HE1 HIS A 34 17.481 -8.619 -10.403 1.00 70.31 H new ATOM 0 HE2 HIS A 34 18.521 -6.684 -9.070 1.00 72.43 H new ATOM 451 N SER A 35 12.458 -6.486 -4.446 1.00 50.53 N ATOM 452 CA SER A 35 11.324 -6.813 -3.610 1.00 11.11 C ATOM 453 C SER A 35 10.016 -6.772 -4.416 1.00 5.40 C ATOM 454 O SER A 35 9.928 -6.193 -5.508 1.00 22.03 O ATOM 455 CB SER A 35 11.238 -5.856 -2.425 1.00 74.12 C ATOM 456 OG SER A 35 12.383 -6.009 -1.626 1.00 14.33 O ATOM 0 H SER A 35 12.989 -5.675 -4.127 1.00 50.53 H new ATOM 0 HA SER A 35 11.466 -7.827 -3.235 1.00 11.11 H new ATOM 0 HB2 SER A 35 11.160 -4.827 -2.777 1.00 74.12 H new ATOM 0 HB3 SER A 35 10.341 -6.061 -1.840 1.00 74.12 H new ATOM 0 HG SER A 35 13.177 -5.748 -2.138 1.00 14.33 H new ATOM 461 N THR A 36 8.976 -7.344 -3.830 1.00 3.33 N ATOM 462 CA THR A 36 7.629 -7.382 -4.382 1.00 5.53 C ATOM 463 C THR A 36 6.598 -6.892 -3.378 1.00 72.22 C ATOM 464 O THR A 36 6.831 -6.820 -2.163 1.00 65.33 O ATOM 465 CB THR A 36 7.289 -8.786 -4.917 1.00 24.23 C ATOM 466 OG1 THR A 36 7.535 -9.806 -3.971 1.00 71.04 O ATOM 467 CG2 THR A 36 8.043 -9.071 -6.210 1.00 41.54 C ATOM 0 H THR A 36 9.048 -7.811 -2.926 1.00 3.33 H new ATOM 0 HA THR A 36 7.597 -6.695 -5.227 1.00 5.53 H new ATOM 0 HB THR A 36 6.218 -8.789 -5.120 1.00 24.23 H new ATOM 0 HG1 THR A 36 7.302 -10.675 -4.359 1.00 71.04 H new ATOM 0 HG21 THR A 36 7.787 -10.068 -6.568 1.00 41.54 H new ATOM 0 HG22 THR A 36 7.767 -8.333 -6.963 1.00 41.54 H new ATOM 0 HG23 THR A 36 9.116 -9.017 -6.025 1.00 41.54 H new ATOM 475 N MET A 37 5.434 -6.548 -3.916 1.00 51.41 N ATOM 476 CA MET A 37 4.266 -6.074 -3.196 1.00 43.11 C ATOM 477 C MET A 37 3.642 -7.188 -2.353 1.00 23.13 C ATOM 478 O MET A 37 2.937 -6.915 -1.385 1.00 10.42 O ATOM 479 CB MET A 37 3.289 -5.509 -4.237 1.00 23.42 C ATOM 480 CG MET A 37 2.309 -6.537 -4.825 1.00 44.45 C ATOM 481 SD MET A 37 1.707 -6.153 -6.495 1.00 62.23 S ATOM 482 CE MET A 37 1.090 -4.479 -6.219 1.00 4.50 C ATOM 0 H MET A 37 5.275 -6.596 -4.922 1.00 51.41 H new ATOM 0 HA MET A 37 4.539 -5.292 -2.487 1.00 43.11 H new ATOM 0 HB2 MET A 37 2.716 -4.703 -3.778 1.00 23.42 H new ATOM 0 HB3 MET A 37 3.863 -5.068 -5.052 1.00 23.42 H new ATOM 0 HG2 MET A 37 2.797 -7.512 -4.846 1.00 44.45 H new ATOM 0 HG3 MET A 37 1.452 -6.624 -4.157 1.00 44.45 H new ATOM 0 HE1 MET A 37 0.778 -4.045 -7.169 1.00 4.50 H new ATOM 0 HE2 MET A 37 0.239 -4.512 -5.539 1.00 4.50 H new ATOM 0 HE3 MET A 37 1.880 -3.868 -5.782 1.00 4.50 H new ATOM 490 N ASP A 38 3.932 -8.440 -2.719 1.00 33.03 N ATOM 491 CA ASP A 38 3.355 -9.644 -2.137 1.00 33.33 C ATOM 492 C ASP A 38 3.607 -9.691 -0.629 1.00 73.03 C ATOM 493 O ASP A 38 2.721 -10.007 0.155 1.00 70.12 O ATOM 494 CB ASP A 38 3.984 -10.856 -2.824 1.00 54.31 C ATOM 495 CG ASP A 38 3.202 -12.121 -2.507 1.00 74.13 C ATOM 496 OD1 ASP A 38 2.241 -12.408 -3.257 1.00 71.33 O ATOM 497 OD2 ASP A 38 3.574 -12.853 -1.569 1.00 31.01 O ATOM 0 H ASP A 38 4.603 -8.645 -3.459 1.00 33.03 H new ATOM 0 HA ASP A 38 2.276 -9.647 -2.289 1.00 33.33 H new ATOM 0 HB2 ASP A 38 4.007 -10.698 -3.902 1.00 54.31 H new ATOM 0 HB3 ASP A 38 5.017 -10.970 -2.497 1.00 54.31 H new ATOM 501 N SER A 39 4.796 -9.231 -0.235 1.00 23.41 N ATOM 502 CA SER A 39 5.287 -9.012 1.104 1.00 63.44 C ATOM 503 C SER A 39 4.287 -8.304 2.010 1.00 41.23 C ATOM 504 O SER A 39 4.247 -8.575 3.207 1.00 21.10 O ATOM 505 CB SER A 39 6.562 -8.154 0.989 1.00 14.43 C ATOM 506 OG SER A 39 7.388 -8.517 -0.111 1.00 25.22 O ATOM 0 H SER A 39 5.503 -8.980 -0.927 1.00 23.41 H new ATOM 0 HA SER A 39 5.476 -9.984 1.560 1.00 63.44 H new ATOM 0 HB2 SER A 39 6.279 -7.106 0.891 1.00 14.43 H new ATOM 0 HB3 SER A 39 7.136 -8.244 1.911 1.00 14.43 H new ATOM 0 HG SER A 39 7.162 -7.963 -0.887 1.00 25.22 H new ATOM 511 N ILE A 40 3.522 -7.359 1.459 1.00 3.24 N ATOM 512 CA ILE A 40 2.564 -6.593 2.228 1.00 73.35 C ATOM 513 C ILE A 40 1.294 -7.430 2.363 1.00 73.42 C ATOM 514 O ILE A 40 0.748 -7.583 3.454 1.00 1.51 O ATOM 515 CB ILE A 40 2.289 -5.224 1.559 1.00 44.54 C ATOM 516 CG1 ILE A 40 3.536 -4.309 1.538 1.00 53.54 C ATOM 517 CG2 ILE A 40 1.181 -4.448 2.291 1.00 74.25 C ATOM 518 CD1 ILE A 40 4.502 -4.557 0.379 1.00 1.33 C ATOM 0 H ILE A 40 3.556 -7.111 0.470 1.00 3.24 H new ATOM 0 HA ILE A 40 2.958 -6.374 3.220 1.00 73.35 H new ATOM 0 HB ILE A 40 1.989 -5.466 0.539 1.00 44.54 H new ATOM 0 HG12 ILE A 40 3.205 -3.271 1.500 1.00 53.54 H new ATOM 0 HG13 ILE A 40 4.077 -4.437 2.476 1.00 53.54 H new ATOM 0 HG21 ILE A 40 1.016 -3.493 1.793 1.00 74.25 H new ATOM 0 HG22 ILE A 40 0.259 -5.029 2.276 1.00 74.25 H new ATOM 0 HG23 ILE A 40 1.482 -4.271 3.324 1.00 74.25 H new ATOM 0 HD11 ILE A 40 5.343 -3.867 0.452 1.00 1.33 H new ATOM 0 HD12 ILE A 40 4.869 -5.582 0.424 1.00 1.33 H new ATOM 0 HD13 ILE A 40 3.984 -4.399 -0.567 1.00 1.33 H new ATOM 529 N LEU A 41 0.824 -7.958 1.233 1.00 70.34 N ATOM 530 CA LEU A 41 -0.424 -8.695 1.106 1.00 70.05 C ATOM 531 C LEU A 41 -0.445 -9.886 2.059 1.00 3.32 C ATOM 532 O LEU A 41 -1.433 -10.065 2.773 1.00 72.01 O ATOM 533 CB LEU A 41 -0.624 -9.096 -0.367 1.00 53.25 C ATOM 534 CG LEU A 41 -0.892 -7.883 -1.284 1.00 24.40 C ATOM 535 CD1 LEU A 41 -1.042 -8.339 -2.732 1.00 23.42 C ATOM 536 CD2 LEU A 41 -2.148 -7.079 -0.914 1.00 12.10 C ATOM 0 H LEU A 41 1.325 -7.878 0.348 1.00 70.34 H new ATOM 0 HA LEU A 41 -1.265 -8.065 1.394 1.00 70.05 H new ATOM 0 HB2 LEU A 41 0.262 -9.624 -0.719 1.00 53.25 H new ATOM 0 HB3 LEU A 41 -1.459 -9.793 -0.439 1.00 53.25 H new ATOM 0 HG LEU A 41 -0.029 -7.230 -1.151 1.00 24.40 H new ATOM 0 HD11 LEU A 41 -1.231 -7.474 -3.368 1.00 23.42 H new ATOM 0 HD12 LEU A 41 -0.126 -8.834 -3.054 1.00 23.42 H new ATOM 0 HD13 LEU A 41 -1.877 -9.035 -2.810 1.00 23.42 H new ATOM 0 HD21 LEU A 41 -2.263 -6.245 -1.607 1.00 12.10 H new ATOM 0 HD22 LEU A 41 -3.024 -7.725 -0.974 1.00 12.10 H new ATOM 0 HD23 LEU A 41 -2.049 -6.696 0.102 1.00 12.10 H new ATOM 547 N GLY A 42 0.659 -10.634 2.146 1.00 52.23 N ATOM 548 CA GLY A 42 0.768 -11.784 3.029 1.00 63.35 C ATOM 549 C GLY A 42 0.752 -11.420 4.514 1.00 70.24 C ATOM 550 O GLY A 42 0.287 -12.216 5.329 1.00 51.21 O ATOM 0 H GLY A 42 1.502 -10.453 1.601 1.00 52.23 H new ATOM 0 HA2 GLY A 42 -0.054 -12.469 2.823 1.00 63.35 H new ATOM 0 HA3 GLY A 42 1.691 -12.318 2.804 1.00 63.35 H new ATOM 554 N ALA A 43 1.254 -10.242 4.904 1.00 32.01 N ATOM 555 CA ALA A 43 1.145 -9.803 6.293 1.00 63.45 C ATOM 556 C ALA A 43 -0.288 -9.381 6.609 1.00 73.41 C ATOM 557 O ALA A 43 -0.773 -9.670 7.701 1.00 34.40 O ATOM 558 CB ALA A 43 2.102 -8.638 6.592 1.00 24.24 C ATOM 0 H ALA A 43 1.732 -9.587 4.285 1.00 32.01 H new ATOM 0 HA ALA A 43 1.422 -10.647 6.925 1.00 63.45 H new ATOM 0 HB1 ALA A 43 1.994 -8.337 7.634 1.00 24.24 H new ATOM 0 HB2 ALA A 43 3.129 -8.955 6.410 1.00 24.24 H new ATOM 0 HB3 ALA A 43 1.862 -7.795 5.944 1.00 24.24 H new ATOM 564 N LEU A 44 -0.937 -8.629 5.711 1.00 70.32 N ATOM 565 CA LEU A 44 -1.988 -7.699 6.130 1.00 53.22 C ATOM 566 C LEU A 44 -3.388 -8.079 5.661 1.00 22.11 C ATOM 567 O LEU A 44 -4.329 -7.363 5.996 1.00 63.04 O ATOM 568 CB LEU A 44 -1.625 -6.251 5.745 1.00 65.33 C ATOM 569 CG LEU A 44 -0.258 -5.765 6.270 1.00 11.42 C ATOM 570 CD1 LEU A 44 -0.057 -4.283 5.935 1.00 32.44 C ATOM 571 CD2 LEU A 44 -0.105 -5.940 7.785 1.00 30.21 C ATOM 0 H LEU A 44 -0.756 -8.646 4.707 1.00 70.32 H new ATOM 0 HA LEU A 44 -2.033 -7.770 7.217 1.00 53.22 H new ATOM 0 HB2 LEU A 44 -1.632 -6.166 4.658 1.00 65.33 H new ATOM 0 HB3 LEU A 44 -2.401 -5.584 6.122 1.00 65.33 H new ATOM 0 HG LEU A 44 0.493 -6.382 5.777 1.00 11.42 H new ATOM 0 HD11 LEU A 44 0.911 -3.953 6.311 1.00 32.44 H new ATOM 0 HD12 LEU A 44 -0.092 -4.146 4.854 1.00 32.44 H new ATOM 0 HD13 LEU A 44 -0.847 -3.694 6.401 1.00 32.44 H new ATOM 0 HD21 LEU A 44 0.876 -5.581 8.096 1.00 30.21 H new ATOM 0 HD22 LEU A 44 -0.879 -5.369 8.297 1.00 30.21 H new ATOM 0 HD23 LEU A 44 -0.203 -6.995 8.041 1.00 30.21 H new ATOM 582 N ALA A 45 -3.537 -9.190 4.933 1.00 33.41 N ATOM 583 CA ALA A 45 -4.806 -9.664 4.384 1.00 45.35 C ATOM 584 C ALA A 45 -6.006 -9.572 5.350 1.00 43.15 C ATOM 585 O ALA A 45 -7.017 -8.992 4.954 1.00 74.11 O ATOM 586 CB ALA A 45 -4.628 -11.077 3.820 1.00 30.14 C ATOM 0 H ALA A 45 -2.753 -9.801 4.704 1.00 33.41 H new ATOM 0 HA ALA A 45 -5.069 -8.979 3.578 1.00 45.35 H new ATOM 0 HB1 ALA A 45 -5.576 -11.428 3.411 1.00 30.14 H new ATOM 0 HB2 ALA A 45 -3.876 -11.062 3.031 1.00 30.14 H new ATOM 0 HB3 ALA A 45 -4.305 -11.748 4.616 1.00 30.14 H new ATOM 592 N PRO A 46 -5.979 -10.109 6.586 1.00 21.31 N ATOM 593 CA PRO A 46 -7.156 -10.040 7.453 1.00 63.22 C ATOM 594 C PRO A 46 -7.425 -8.624 7.961 1.00 61.01 C ATOM 595 O PRO A 46 -8.578 -8.208 8.054 1.00 14.22 O ATOM 596 CB PRO A 46 -6.880 -11.015 8.606 1.00 74.44 C ATOM 597 CG PRO A 46 -5.355 -11.083 8.660 1.00 1.23 C ATOM 598 CD PRO A 46 -4.927 -10.904 7.208 1.00 22.32 C ATOM 0 HA PRO A 46 -8.058 -10.313 6.905 1.00 63.22 H new ATOM 0 HB2 PRO A 46 -7.299 -10.654 9.545 1.00 74.44 H new ATOM 0 HB3 PRO A 46 -7.319 -11.995 8.417 1.00 74.44 H new ATOM 0 HG2 PRO A 46 -4.943 -10.301 9.297 1.00 1.23 H new ATOM 0 HG3 PRO A 46 -5.012 -12.036 9.063 1.00 1.23 H new ATOM 0 HD2 PRO A 46 -3.963 -10.399 7.143 1.00 22.32 H new ATOM 0 HD3 PRO A 46 -4.817 -11.867 6.710 1.00 22.32 H new ATOM 603 N TYR A 47 -6.374 -7.875 8.288 1.00 61.32 N ATOM 604 CA TYR A 47 -6.480 -6.597 8.985 1.00 24.00 C ATOM 605 C TYR A 47 -6.845 -5.454 8.028 1.00 42.52 C ATOM 606 O TYR A 47 -6.955 -4.299 8.461 1.00 53.12 O ATOM 607 CB TYR A 47 -5.150 -6.313 9.709 1.00 1.33 C ATOM 608 CG TYR A 47 -4.499 -7.531 10.352 1.00 12.14 C ATOM 609 CD1 TYR A 47 -5.199 -8.293 11.308 1.00 32.31 C ATOM 610 CD2 TYR A 47 -3.227 -7.954 9.928 1.00 24.01 C ATOM 611 CE1 TYR A 47 -4.634 -9.471 11.838 1.00 54.53 C ATOM 612 CE2 TYR A 47 -2.646 -9.118 10.459 1.00 71.33 C ATOM 613 CZ TYR A 47 -3.345 -9.876 11.423 1.00 21.42 C ATOM 614 OH TYR A 47 -2.775 -11.018 11.900 1.00 52.25 O ATOM 0 H TYR A 47 -5.413 -8.143 8.073 1.00 61.32 H new ATOM 0 HA TYR A 47 -7.287 -6.659 9.715 1.00 24.00 H new ATOM 0 HB2 TYR A 47 -4.450 -5.879 8.995 1.00 1.33 H new ATOM 0 HB3 TYR A 47 -5.325 -5.563 10.480 1.00 1.33 H new ATOM 0 HD1 TYR A 47 -6.176 -7.972 11.638 1.00 32.31 H new ATOM 0 HD2 TYR A 47 -2.691 -7.379 9.187 1.00 24.01 H new ATOM 0 HE1 TYR A 47 -5.183 -10.061 12.557 1.00 54.53 H new ATOM 0 HE2 TYR A 47 -1.666 -9.432 10.130 1.00 71.33 H new ATOM 0 HH TYR A 47 -1.888 -11.132 11.500 1.00 52.25 H new ATOM 623 N ALA A 48 -6.974 -5.737 6.727 1.00 14.32 N ATOM 624 CA ALA A 48 -7.155 -4.738 5.695 1.00 54.44 C ATOM 625 C ALA A 48 -7.797 -5.382 4.477 1.00 61.24 C ATOM 626 O ALA A 48 -7.210 -6.250 3.827 1.00 3.40 O ATOM 627 CB ALA A 48 -5.809 -4.111 5.328 1.00 70.01 C ATOM 0 H ALA A 48 -6.954 -6.691 6.366 1.00 14.32 H new ATOM 0 HA ALA A 48 -7.809 -3.948 6.064 1.00 54.44 H new ATOM 0 HB1 ALA A 48 -5.957 -3.361 4.551 1.00 70.01 H new ATOM 0 HB2 ALA A 48 -5.375 -3.639 6.210 1.00 70.01 H new ATOM 0 HB3 ALA A 48 -5.135 -4.885 4.962 1.00 70.01 H new ATOM 633 N VAL A 49 -9.004 -4.938 4.157 1.00 50.15 N ATOM 634 CA VAL A 49 -9.761 -5.397 3.011 1.00 72.31 C ATOM 635 C VAL A 49 -9.435 -4.439 1.866 1.00 74.25 C ATOM 636 O VAL A 49 -9.992 -3.338 1.784 1.00 33.43 O ATOM 637 CB VAL A 49 -11.234 -5.529 3.424 1.00 42.32 C ATOM 638 CG1 VAL A 49 -12.161 -5.726 2.228 1.00 61.14 C ATOM 639 CG2 VAL A 49 -11.383 -6.730 4.375 1.00 62.52 C ATOM 0 H VAL A 49 -9.493 -4.230 4.705 1.00 50.15 H new ATOM 0 HA VAL A 49 -9.502 -6.392 2.650 1.00 72.31 H new ATOM 0 HB VAL A 49 -11.522 -4.599 3.915 1.00 42.32 H new ATOM 0 HG11 VAL A 49 -13.190 -5.814 2.576 1.00 61.14 H new ATOM 0 HG12 VAL A 49 -12.076 -4.871 1.557 1.00 61.14 H new ATOM 0 HG13 VAL A 49 -11.880 -6.634 1.695 1.00 61.14 H new ATOM 0 HG21 VAL A 49 -12.427 -6.831 4.673 1.00 62.52 H new ATOM 0 HG22 VAL A 49 -11.062 -7.639 3.866 1.00 62.52 H new ATOM 0 HG23 VAL A 49 -10.766 -6.572 5.260 1.00 62.52 H new ATOM 649 N LEU A 50 -8.443 -4.831 1.059 1.00 41.51 N ATOM 650 CA LEU A 50 -7.777 -4.071 -0.001 1.00 1.32 C ATOM 651 C LEU A 50 -7.351 -5.021 -1.133 1.00 44.14 C ATOM 652 O LEU A 50 -7.765 -6.185 -1.137 1.00 23.22 O ATOM 653 CB LEU A 50 -6.599 -3.270 0.595 1.00 65.15 C ATOM 654 CG LEU A 50 -5.564 -4.011 1.466 1.00 21.13 C ATOM 655 CD1 LEU A 50 -4.846 -5.173 0.769 1.00 13.13 C ATOM 656 CD2 LEU A 50 -4.518 -2.989 1.928 1.00 63.25 C ATOM 0 H LEU A 50 -8.053 -5.770 1.139 1.00 41.51 H new ATOM 0 HA LEU A 50 -8.463 -3.346 -0.439 1.00 1.32 H new ATOM 0 HB2 LEU A 50 -6.063 -2.806 -0.233 1.00 65.15 H new ATOM 0 HB3 LEU A 50 -7.019 -2.463 1.195 1.00 65.15 H new ATOM 0 HG LEU A 50 -6.116 -4.459 2.293 1.00 21.13 H new ATOM 0 HD11 LEU A 50 -4.139 -5.631 1.461 1.00 13.13 H new ATOM 0 HD12 LEU A 50 -5.578 -5.916 0.453 1.00 13.13 H new ATOM 0 HD13 LEU A 50 -4.310 -4.799 -0.103 1.00 13.13 H new ATOM 0 HD21 LEU A 50 -3.772 -3.487 2.547 1.00 63.25 H new ATOM 0 HD22 LEU A 50 -4.032 -2.548 1.058 1.00 63.25 H new ATOM 0 HD23 LEU A 50 -5.006 -2.205 2.507 1.00 63.25 H new ATOM 667 N SER A 51 -6.550 -4.564 -2.102 1.00 33.02 N ATOM 668 CA SER A 51 -5.835 -5.442 -3.029 1.00 44.44 C ATOM 669 C SER A 51 -4.460 -4.864 -3.378 1.00 24.20 C ATOM 670 O SER A 51 -4.034 -3.837 -2.843 1.00 53.34 O ATOM 671 CB SER A 51 -6.675 -5.699 -4.292 1.00 72.03 C ATOM 672 OG SER A 51 -6.819 -4.535 -5.089 1.00 33.03 O ATOM 0 H SER A 51 -6.380 -3.571 -2.264 1.00 33.02 H new ATOM 0 HA SER A 51 -5.673 -6.401 -2.537 1.00 44.44 H new ATOM 0 HB2 SER A 51 -6.206 -6.486 -4.883 1.00 72.03 H new ATOM 0 HB3 SER A 51 -7.661 -6.062 -4.002 1.00 72.03 H new ATOM 0 HG SER A 51 -7.357 -4.745 -5.880 1.00 33.03 H new ATOM 677 N SER A 52 -3.776 -5.501 -4.326 1.00 64.02 N ATOM 678 CA SER A 52 -2.590 -4.999 -5.004 1.00 61.02 C ATOM 679 C SER A 52 -2.823 -3.683 -5.765 1.00 11.42 C ATOM 680 O SER A 52 -1.853 -3.092 -6.234 1.00 14.54 O ATOM 681 CB SER A 52 -2.114 -6.097 -5.964 1.00 24.10 C ATOM 682 OG SER A 52 -3.208 -6.600 -6.709 1.00 2.34 O ATOM 0 H SER A 52 -4.050 -6.426 -4.656 1.00 64.02 H new ATOM 0 HA SER A 52 -1.837 -4.764 -4.252 1.00 61.02 H new ATOM 0 HB2 SER A 52 -1.357 -5.698 -6.639 1.00 24.10 H new ATOM 0 HB3 SER A 52 -1.645 -6.904 -5.402 1.00 24.10 H new ATOM 0 HG SER A 52 -2.894 -7.299 -7.320 1.00 2.34 H new ATOM 687 N SER A 53 -4.061 -3.199 -5.924 1.00 63.42 N ATOM 688 CA SER A 53 -4.284 -1.840 -6.409 1.00 14.54 C ATOM 689 C SER A 53 -3.697 -0.828 -5.414 1.00 72.32 C ATOM 690 O SER A 53 -3.025 0.134 -5.805 1.00 10.51 O ATOM 691 CB SER A 53 -5.785 -1.597 -6.574 1.00 22.20 C ATOM 692 OG SER A 53 -6.351 -2.468 -7.543 1.00 5.12 O ATOM 0 H SER A 53 -4.912 -3.725 -5.725 1.00 63.42 H new ATOM 0 HA SER A 53 -3.791 -1.715 -7.373 1.00 14.54 H new ATOM 0 HB2 SER A 53 -6.285 -1.742 -5.617 1.00 22.20 H new ATOM 0 HB3 SER A 53 -5.957 -0.562 -6.870 1.00 22.20 H new ATOM 0 HG SER A 53 -6.653 -3.292 -7.106 1.00 5.12 H new ATOM 697 N ASN A 54 -3.962 -1.062 -4.126 1.00 50.55 N ATOM 698 CA ASN A 54 -3.635 -0.150 -3.038 1.00 70.02 C ATOM 699 C ASN A 54 -2.130 -0.031 -2.852 1.00 14.24 C ATOM 700 O ASN A 54 -1.626 1.069 -2.642 1.00 71.42 O ATOM 701 CB ASN A 54 -4.238 -0.634 -1.713 1.00 51.51 C ATOM 702 CG ASN A 54 -5.754 -0.655 -1.745 1.00 50.24 C ATOM 703 OD1 ASN A 54 -6.345 -1.516 -2.393 1.00 31.11 O ATOM 704 ND2 ASN A 54 -6.390 0.250 -1.026 1.00 23.04 N ATOM 0 H ASN A 54 -4.422 -1.915 -3.808 1.00 50.55 H new ATOM 0 HA ASN A 54 -4.053 0.820 -3.307 1.00 70.02 H new ATOM 0 HB2 ASN A 54 -3.867 -1.635 -1.492 1.00 51.51 H new ATOM 0 HB3 ASN A 54 -3.903 0.016 -0.905 1.00 51.51 H new ATOM 0 HD21 ASN A 54 -7.409 0.252 -0.994 1.00 23.04 H new ATOM 0 HD22 ASN A 54 -5.862 0.948 -0.502 1.00 23.04 H new ATOM 710 N VAL A 55 -1.423 -1.160 -2.851 1.00 70.34 N ATOM 711 CA VAL A 55 0.011 -1.214 -2.600 1.00 54.13 C ATOM 712 C VAL A 55 0.780 -1.017 -3.909 1.00 62.03 C ATOM 713 O VAL A 55 0.418 -1.595 -4.933 1.00 24.14 O ATOM 714 CB VAL A 55 0.364 -2.493 -1.817 1.00 43.43 C ATOM 715 CG1 VAL A 55 -0.100 -3.803 -2.456 1.00 51.32 C ATOM 716 CG2 VAL A 55 1.862 -2.565 -1.507 1.00 70.11 C ATOM 0 H VAL A 55 -1.839 -2.074 -3.027 1.00 70.34 H new ATOM 0 HA VAL A 55 0.324 -0.391 -1.957 1.00 54.13 H new ATOM 0 HB VAL A 55 -0.206 -2.399 -0.892 1.00 43.43 H new ATOM 0 HG11 VAL A 55 0.198 -4.641 -1.826 1.00 51.32 H new ATOM 0 HG12 VAL A 55 -1.185 -3.794 -2.558 1.00 51.32 H new ATOM 0 HG13 VAL A 55 0.356 -3.909 -3.440 1.00 51.32 H new ATOM 0 HG21 VAL A 55 2.076 -3.480 -0.954 1.00 70.11 H new ATOM 0 HG22 VAL A 55 2.427 -2.564 -2.439 1.00 70.11 H new ATOM 0 HG23 VAL A 55 2.151 -1.702 -0.907 1.00 70.11 H new ATOM 726 N ARG A 56 1.827 -0.181 -3.904 1.00 1.30 N ATOM 727 CA ARG A 56 2.467 0.281 -5.132 1.00 61.43 C ATOM 728 C ARG A 56 3.984 0.358 -4.978 1.00 10.40 C ATOM 729 O ARG A 56 4.482 1.226 -4.255 1.00 44.24 O ATOM 730 CB ARG A 56 1.825 1.629 -5.518 1.00 23.31 C ATOM 731 CG ARG A 56 2.007 2.020 -6.992 1.00 72.32 C ATOM 732 CD ARG A 56 1.288 1.062 -7.965 1.00 45.24 C ATOM 733 NE ARG A 56 2.172 -0.007 -8.462 1.00 72.25 N ATOM 734 CZ ARG A 56 3.097 0.108 -9.419 1.00 65.42 C ATOM 735 NH1 ARG A 56 3.239 1.241 -10.103 1.00 51.12 N ATOM 736 NH2 ARG A 56 3.893 -0.918 -9.674 1.00 62.03 N ATOM 0 H ARG A 56 2.248 0.189 -3.052 1.00 1.30 H new ATOM 0 HA ARG A 56 2.304 -0.431 -5.942 1.00 61.43 H new ATOM 0 HB2 ARG A 56 0.759 1.587 -5.295 1.00 23.31 H new ATOM 0 HB3 ARG A 56 2.251 2.413 -4.892 1.00 23.31 H new ATOM 0 HG2 ARG A 56 1.630 3.032 -7.143 1.00 72.32 H new ATOM 0 HG3 ARG A 56 3.071 2.038 -7.228 1.00 72.32 H new ATOM 0 HD2 ARG A 56 0.430 0.615 -7.462 1.00 45.24 H new ATOM 0 HD3 ARG A 56 0.901 1.631 -8.810 1.00 45.24 H new ATOM 0 HE ARG A 56 2.067 -0.926 -8.033 1.00 72.25 H new ATOM 0 HH11 ARG A 56 2.636 2.038 -9.900 1.00 51.12 H new ATOM 0 HH12 ARG A 56 3.950 1.312 -10.831 1.00 51.12 H new ATOM 0 HH21 ARG A 56 3.796 -1.783 -9.143 1.00 62.03 H new ATOM 0 HH22 ARG A 56 4.603 -0.844 -10.402 1.00 62.03 H new ATOM 747 N VAL A 57 4.717 -0.528 -5.657 1.00 12.43 N ATOM 748 CA VAL A 57 6.175 -0.496 -5.742 1.00 41.42 C ATOM 749 C VAL A 57 6.576 0.678 -6.639 1.00 71.32 C ATOM 750 O VAL A 57 6.526 0.594 -7.871 1.00 64.11 O ATOM 751 CB VAL A 57 6.717 -1.845 -6.266 1.00 74.21 C ATOM 752 CG1 VAL A 57 8.248 -1.838 -6.403 1.00 14.53 C ATOM 753 CG2 VAL A 57 6.312 -3.001 -5.336 1.00 42.54 C ATOM 0 H VAL A 57 4.302 -1.304 -6.173 1.00 12.43 H new ATOM 0 HA VAL A 57 6.614 -0.350 -4.755 1.00 41.42 H new ATOM 0 HB VAL A 57 6.276 -1.990 -7.252 1.00 74.21 H new ATOM 0 HG11 VAL A 57 8.585 -2.806 -6.774 1.00 14.53 H new ATOM 0 HG12 VAL A 57 8.547 -1.057 -7.102 1.00 14.53 H new ATOM 0 HG13 VAL A 57 8.700 -1.646 -5.430 1.00 14.53 H new ATOM 0 HG21 VAL A 57 6.706 -3.939 -5.728 1.00 42.54 H new ATOM 0 HG22 VAL A 57 6.717 -2.825 -4.340 1.00 42.54 H new ATOM 0 HG23 VAL A 57 5.225 -3.060 -5.280 1.00 42.54 H new ATOM 763 N ILE A 58 6.944 1.802 -6.033 1.00 53.22 N ATOM 764 CA ILE A 58 7.555 2.922 -6.743 1.00 53.15 C ATOM 765 C ILE A 58 8.981 2.541 -7.174 1.00 52.44 C ATOM 766 O ILE A 58 9.710 1.885 -6.422 1.00 34.14 O ATOM 767 CB ILE A 58 7.545 4.184 -5.854 1.00 44.51 C ATOM 768 CG1 ILE A 58 6.214 4.401 -5.095 1.00 22.43 C ATOM 769 CG2 ILE A 58 7.881 5.428 -6.696 1.00 41.53 C ATOM 770 CD1 ILE A 58 4.962 4.466 -5.979 1.00 22.13 C ATOM 0 H ILE A 58 6.827 1.963 -5.033 1.00 53.22 H new ATOM 0 HA ILE A 58 6.979 3.148 -7.640 1.00 53.15 H new ATOM 0 HB ILE A 58 8.309 4.027 -5.093 1.00 44.51 H new ATOM 0 HG12 ILE A 58 6.089 3.593 -4.374 1.00 22.43 H new ATOM 0 HG13 ILE A 58 6.286 5.328 -4.525 1.00 22.43 H new ATOM 0 HG21 ILE A 58 7.871 6.312 -6.059 1.00 41.53 H new ATOM 0 HG22 ILE A 58 8.870 5.311 -7.139 1.00 41.53 H new ATOM 0 HG23 ILE A 58 7.140 5.543 -7.487 1.00 41.53 H new ATOM 0 HD11 ILE A 58 4.083 4.620 -5.354 1.00 22.13 H new ATOM 0 HD12 ILE A 58 5.056 5.293 -6.683 1.00 22.13 H new ATOM 0 HD13 ILE A 58 4.856 3.531 -6.529 1.00 22.13 H new ATOM 781 N LYS A 59 9.401 2.983 -8.365 1.00 62.25 N ATOM 782 CA LYS A 59 10.717 2.657 -8.925 1.00 41.23 C ATOM 783 C LYS A 59 11.612 3.880 -9.065 1.00 73.02 C ATOM 784 O LYS A 59 11.167 5.027 -8.943 1.00 73.42 O ATOM 785 CB LYS A 59 10.580 1.936 -10.276 1.00 30.12 C ATOM 786 CG LYS A 59 9.900 0.568 -10.116 1.00 30.00 C ATOM 787 CD LYS A 59 9.910 -0.199 -11.440 1.00 54.33 C ATOM 788 CE LYS A 59 8.923 0.387 -12.461 1.00 24.02 C ATOM 789 NZ LYS A 59 9.189 -0.090 -13.826 1.00 72.13 N ATOM 0 H LYS A 59 8.835 3.579 -8.969 1.00 62.25 H new ATOM 0 HA LYS A 59 11.198 1.985 -8.214 1.00 41.23 H new ATOM 0 HB2 LYS A 59 10.001 2.554 -10.962 1.00 30.12 H new ATOM 0 HB3 LYS A 59 11.566 1.804 -10.721 1.00 30.12 H new ATOM 0 HG2 LYS A 59 10.415 -0.012 -9.350 1.00 30.00 H new ATOM 0 HG3 LYS A 59 8.873 0.704 -9.777 1.00 30.00 H new ATOM 0 HD2 LYS A 59 10.916 -0.182 -11.859 1.00 54.33 H new ATOM 0 HD3 LYS A 59 9.660 -1.243 -11.254 1.00 54.33 H new ATOM 0 HE2 LYS A 59 7.906 0.119 -12.176 1.00 24.02 H new ATOM 0 HE3 LYS A 59 8.984 1.475 -12.440 1.00 24.02 H new ATOM 0 HZ1 LYS A 59 8.500 0.331 -14.481 1.00 72.13 H new ATOM 0 HZ2 LYS A 59 10.150 0.188 -14.110 1.00 72.13 H new ATOM 0 HZ3 LYS A 59 9.106 -1.126 -13.854 1.00 72.13 H new ATOM 799 N ASP A 60 12.899 3.629 -9.290 1.00 33.42 N ATOM 800 CA ASP A 60 13.899 4.655 -9.553 1.00 71.43 C ATOM 801 C ASP A 60 13.885 5.040 -11.038 1.00 2.33 C ATOM 802 O ASP A 60 13.347 4.309 -11.867 1.00 74.03 O ATOM 803 CB ASP A 60 15.258 4.109 -9.106 1.00 35.30 C ATOM 804 CG ASP A 60 16.409 5.028 -9.482 1.00 40.54 C ATOM 805 OD1 ASP A 60 16.265 6.265 -9.399 1.00 60.33 O ATOM 806 OD2 ASP A 60 17.436 4.502 -9.955 1.00 71.02 O ATOM 0 H ASP A 60 13.282 2.684 -9.294 1.00 33.42 H new ATOM 0 HA ASP A 60 13.683 5.566 -8.995 1.00 71.43 H new ATOM 0 HB2 ASP A 60 15.250 3.966 -8.025 1.00 35.30 H new ATOM 0 HB3 ASP A 60 15.418 3.129 -9.556 1.00 35.30 H new ATOM 810 N LYS A 61 14.454 6.198 -11.377 1.00 62.02 N ATOM 811 CA LYS A 61 14.706 6.661 -12.736 1.00 3.32 C ATOM 812 C LYS A 61 16.002 6.068 -13.285 1.00 1.41 C ATOM 813 O LYS A 61 16.073 5.825 -14.492 1.00 35.04 O ATOM 814 CB LYS A 61 14.780 8.200 -12.720 1.00 12.42 C ATOM 815 CG LYS A 61 15.321 8.853 -14.004 1.00 75.12 C ATOM 816 CD LYS A 61 14.396 8.664 -15.217 1.00 15.44 C ATOM 817 CE LYS A 61 15.182 8.681 -16.535 1.00 34.14 C ATOM 818 NZ LYS A 61 15.702 7.348 -16.897 1.00 34.41 N ATOM 0 H LYS A 61 14.766 6.869 -10.674 1.00 62.02 H new ATOM 0 HA LYS A 61 13.897 6.333 -13.388 1.00 3.32 H new ATOM 0 HB2 LYS A 61 13.781 8.592 -12.527 1.00 12.42 H new ATOM 0 HB3 LYS A 61 15.409 8.507 -11.885 1.00 12.42 H new ATOM 0 HG2 LYS A 61 15.466 9.919 -13.828 1.00 75.12 H new ATOM 0 HG3 LYS A 61 16.300 8.432 -14.233 1.00 75.12 H new ATOM 0 HD2 LYS A 61 13.861 7.719 -15.124 1.00 15.44 H new ATOM 0 HD3 LYS A 61 13.646 9.455 -15.230 1.00 15.44 H new ATOM 0 HE2 LYS A 61 14.537 9.046 -17.335 1.00 34.14 H new ATOM 0 HE3 LYS A 61 16.013 9.381 -16.450 1.00 34.14 H new ATOM 0 HZ1 LYS A 61 16.618 7.452 -17.378 1.00 34.41 H new ATOM 0 HZ2 LYS A 61 15.826 6.778 -16.036 1.00 34.41 H new ATOM 0 HZ3 LYS A 61 15.029 6.874 -17.532 1.00 34.41 H new ATOM 828 N GLN A 62 17.052 5.926 -12.474 1.00 75.35 N ATOM 829 CA GLN A 62 18.358 5.493 -12.972 1.00 44.22 C ATOM 830 C GLN A 62 18.294 4.023 -13.375 1.00 42.31 C ATOM 831 O GLN A 62 18.909 3.630 -14.369 1.00 21.44 O ATOM 832 CB GLN A 62 19.484 5.756 -11.957 1.00 31.40 C ATOM 833 CG GLN A 62 19.347 7.137 -11.314 1.00 3.42 C ATOM 834 CD GLN A 62 20.620 7.623 -10.630 1.00 11.13 C ATOM 835 OE1 GLN A 62 20.986 7.165 -9.551 1.00 73.01 O ATOM 836 NE2 GLN A 62 21.268 8.635 -11.187 1.00 63.12 N ATOM 0 H GLN A 62 17.023 6.105 -11.470 1.00 75.35 H new ATOM 0 HA GLN A 62 18.601 6.088 -13.853 1.00 44.22 H new ATOM 0 HB2 GLN A 62 19.464 4.989 -11.183 1.00 31.40 H new ATOM 0 HB3 GLN A 62 20.450 5.680 -12.456 1.00 31.40 H new ATOM 0 HG2 GLN A 62 19.058 7.857 -12.079 1.00 3.42 H new ATOM 0 HG3 GLN A 62 18.540 7.109 -10.582 1.00 3.42 H new ATOM 0 HE21 GLN A 62 20.956 9.009 -12.084 1.00 63.12 H new ATOM 0 HE22 GLN A 62 22.079 9.041 -10.719 1.00 63.12 H new ATOM 843 N THR A 63 17.510 3.231 -12.654 1.00 61.01 N ATOM 844 CA THR A 63 17.325 1.804 -12.859 1.00 1.52 C ATOM 845 C THR A 63 15.874 1.551 -13.281 1.00 50.44 C ATOM 846 O THR A 63 15.186 2.458 -13.760 1.00 63.03 O ATOM 847 CB THR A 63 17.771 1.065 -11.582 1.00 42.11 C ATOM 848 OG1 THR A 63 16.840 1.299 -10.545 1.00 41.11 O ATOM 849 CG2 THR A 63 19.173 1.500 -11.129 1.00 61.03 C ATOM 0 H THR A 63 16.960 3.586 -11.872 1.00 61.01 H new ATOM 0 HA THR A 63 17.942 1.411 -13.667 1.00 1.52 H new ATOM 0 HB THR A 63 17.812 0.000 -11.812 1.00 42.11 H new ATOM 0 HG1 THR A 63 17.260 1.112 -9.680 1.00 41.11 H new ATOM 0 HG21 THR A 63 19.449 0.955 -10.226 1.00 61.03 H new ATOM 0 HG22 THR A 63 19.894 1.284 -11.918 1.00 61.03 H new ATOM 0 HG23 THR A 63 19.173 2.570 -10.921 1.00 61.03 H new ATOM 857 N GLN A 64 15.424 0.302 -13.204 1.00 32.24 N ATOM 858 CA GLN A 64 14.032 -0.113 -13.341 1.00 12.42 C ATOM 859 C GLN A 64 13.659 -0.948 -12.107 1.00 45.14 C ATOM 860 O GLN A 64 12.920 -1.929 -12.208 1.00 50.53 O ATOM 861 CB GLN A 64 13.851 -0.864 -14.671 1.00 23.32 C ATOM 862 CG GLN A 64 14.186 -0.013 -15.908 1.00 22.32 C ATOM 863 CD GLN A 64 13.083 0.979 -16.260 1.00 24.24 C ATOM 864 OE1 GLN A 64 12.134 0.664 -16.974 1.00 14.54 O ATOM 865 NE2 GLN A 64 13.131 2.188 -15.729 1.00 61.04 N ATOM 0 H GLN A 64 16.050 -0.486 -13.036 1.00 32.24 H new ATOM 0 HA GLN A 64 13.355 0.740 -13.378 1.00 12.42 H new ATOM 0 HB2 GLN A 64 14.485 -1.751 -14.667 1.00 23.32 H new ATOM 0 HB3 GLN A 64 12.820 -1.210 -14.746 1.00 23.32 H new ATOM 0 HG2 GLN A 64 15.114 0.531 -15.729 1.00 22.32 H new ATOM 0 HG3 GLN A 64 14.362 -0.671 -16.759 1.00 22.32 H new ATOM 0 HE21 GLN A 64 13.917 2.454 -15.136 1.00 61.04 H new ATOM 0 HE22 GLN A 64 12.382 2.856 -15.912 1.00 61.04 H new ATOM 872 N LEU A 65 14.214 -0.595 -10.944 1.00 64.01 N ATOM 873 CA LEU A 65 14.130 -1.337 -9.687 1.00 52.11 C ATOM 874 C LEU A 65 13.325 -0.514 -8.696 1.00 53.13 C ATOM 875 O LEU A 65 13.105 0.681 -8.905 1.00 61.02 O ATOM 876 CB LEU A 65 15.528 -1.549 -9.087 1.00 14.51 C ATOM 877 CG LEU A 65 16.477 -2.395 -9.948 1.00 4.42 C ATOM 878 CD1 LEU A 65 17.902 -2.108 -9.478 1.00 51.23 C ATOM 879 CD2 LEU A 65 16.143 -3.890 -9.874 1.00 13.12 C ATOM 0 H LEU A 65 14.762 0.260 -10.851 1.00 64.01 H new ATOM 0 HA LEU A 65 13.666 -2.304 -9.881 1.00 52.11 H new ATOM 0 HB2 LEU A 65 15.986 -0.575 -8.916 1.00 14.51 H new ATOM 0 HB3 LEU A 65 15.421 -2.026 -8.113 1.00 14.51 H new ATOM 0 HG LEU A 65 16.366 -2.125 -10.998 1.00 4.42 H new ATOM 0 HD11 LEU A 65 18.605 -2.694 -10.070 1.00 51.23 H new ATOM 0 HD12 LEU A 65 18.119 -1.047 -9.602 1.00 51.23 H new ATOM 0 HD13 LEU A 65 18.000 -2.378 -8.426 1.00 51.23 H new ATOM 0 HD21 LEU A 65 16.840 -4.450 -10.498 1.00 13.12 H new ATOM 0 HD22 LEU A 65 16.226 -4.231 -8.842 1.00 13.12 H new ATOM 0 HD23 LEU A 65 15.126 -4.054 -10.229 1.00 13.12 H new ATOM 890 N ASN A 66 12.908 -1.136 -7.599 1.00 5.34 N ATOM 891 CA ASN A 66 12.215 -0.504 -6.507 1.00 62.45 C ATOM 892 C ASN A 66 13.208 0.390 -5.783 1.00 34.12 C ATOM 893 O ASN A 66 14.396 0.071 -5.677 1.00 62.25 O ATOM 894 CB ASN A 66 11.795 -1.669 -5.623 1.00 12.33 C ATOM 895 CG ASN A 66 11.828 -1.391 -4.156 1.00 3.34 C ATOM 896 OD1 ASN A 66 11.245 -0.442 -3.651 1.00 72.25 O ATOM 897 ND2 ASN A 66 12.632 -2.147 -3.453 1.00 31.42 N ATOM 0 H ASN A 66 13.055 -2.134 -7.450 1.00 5.34 H new ATOM 0 HA ASN A 66 11.363 0.108 -6.803 1.00 62.45 H new ATOM 0 HB2 ASN A 66 10.784 -1.968 -5.898 1.00 12.33 H new ATOM 0 HB3 ASN A 66 12.447 -2.517 -5.832 1.00 12.33 H new ATOM 0 HD21 ASN A 66 12.782 -1.950 -2.464 1.00 31.42 H new ATOM 0 HD22 ASN A 66 13.108 -2.934 -3.894 1.00 31.42 H new ATOM 903 N ARG A 67 12.701 1.480 -5.219 1.00 31.23 N ATOM 904 CA ARG A 67 13.538 2.464 -4.543 1.00 4.51 C ATOM 905 C ARG A 67 13.884 2.119 -3.098 1.00 65.01 C ATOM 906 O ARG A 67 14.581 2.902 -2.458 1.00 54.23 O ATOM 907 CB ARG A 67 12.907 3.867 -4.636 1.00 63.34 C ATOM 908 CG ARG A 67 13.375 4.588 -5.902 1.00 71.25 C ATOM 909 CD ARG A 67 12.813 6.014 -6.050 1.00 0.22 C ATOM 910 NE ARG A 67 13.107 6.864 -4.877 1.00 43.51 N ATOM 911 CZ ARG A 67 12.666 8.111 -4.653 1.00 44.15 C ATOM 912 NH1 ARG A 67 12.009 8.778 -5.600 1.00 13.11 N ATOM 913 NH2 ARG A 67 12.866 8.662 -3.461 1.00 42.14 N ATOM 0 H ARG A 67 11.706 1.706 -5.217 1.00 31.23 H new ATOM 0 HA ARG A 67 14.489 2.452 -5.075 1.00 4.51 H new ATOM 0 HB2 ARG A 67 11.820 3.783 -4.640 1.00 63.34 H new ATOM 0 HB3 ARG A 67 13.178 4.452 -3.757 1.00 63.34 H new ATOM 0 HG2 ARG A 67 14.464 4.635 -5.900 1.00 71.25 H new ATOM 0 HG3 ARG A 67 13.083 4.000 -6.772 1.00 71.25 H new ATOM 0 HD2 ARG A 67 13.233 6.476 -6.943 1.00 0.22 H new ATOM 0 HD3 ARG A 67 11.734 5.962 -6.196 1.00 0.22 H new ATOM 0 HE ARG A 67 13.710 6.459 -4.161 1.00 43.51 H new ATOM 0 HH11 ARG A 67 11.837 8.341 -6.506 1.00 13.11 H new ATOM 0 HH12 ARG A 67 11.678 9.726 -5.420 1.00 13.11 H new ATOM 0 HH21 ARG A 67 13.349 8.138 -2.731 1.00 42.14 H new ATOM 0 HH22 ARG A 67 12.537 9.609 -3.275 1.00 42.14 H new ATOM 924 N GLY A 68 13.411 0.998 -2.570 1.00 22.44 N ATOM 925 CA GLY A 68 13.593 0.613 -1.179 1.00 14.40 C ATOM 926 C GLY A 68 12.371 0.949 -0.326 1.00 43.53 C ATOM 927 O GLY A 68 12.374 0.663 0.869 1.00 73.02 O ATOM 0 H GLY A 68 12.878 0.316 -3.110 1.00 22.44 H new ATOM 0 HA2 GLY A 68 13.791 -0.457 -1.122 1.00 14.40 H new ATOM 0 HA3 GLY A 68 14.468 1.121 -0.774 1.00 14.40 H new ATOM 931 N PHE A 69 11.327 1.524 -0.928 1.00 21.21 N ATOM 932 CA PHE A 69 10.112 1.966 -0.265 1.00 4.14 C ATOM 933 C PHE A 69 8.926 1.668 -1.191 1.00 3.14 C ATOM 934 O PHE A 69 9.107 1.524 -2.403 1.00 13.21 O ATOM 935 CB PHE A 69 10.222 3.468 0.060 1.00 12.20 C ATOM 936 CG PHE A 69 9.737 4.393 -1.038 1.00 74.42 C ATOM 937 CD1 PHE A 69 8.378 4.751 -1.078 1.00 0.14 C ATOM 938 CD2 PHE A 69 10.612 4.861 -2.034 1.00 13.21 C ATOM 939 CE1 PHE A 69 7.882 5.551 -2.114 1.00 41.41 C ATOM 940 CE2 PHE A 69 10.111 5.657 -3.079 1.00 61.01 C ATOM 941 CZ PHE A 69 8.748 5.993 -3.124 1.00 52.42 C ATOM 0 H PHE A 69 11.311 1.699 -1.933 1.00 21.21 H new ATOM 0 HA PHE A 69 9.963 1.438 0.677 1.00 4.14 H new ATOM 0 HB2 PHE A 69 9.651 3.672 0.966 1.00 12.20 H new ATOM 0 HB3 PHE A 69 11.264 3.703 0.280 1.00 12.20 H new ATOM 0 HD1 PHE A 69 7.711 4.406 -0.302 1.00 0.14 H new ATOM 0 HD2 PHE A 69 11.662 4.611 -1.997 1.00 13.21 H new ATOM 0 HE1 PHE A 69 6.838 5.826 -2.135 1.00 41.41 H new ATOM 0 HE2 PHE A 69 10.778 6.012 -3.851 1.00 61.01 H new ATOM 0 HZ PHE A 69 8.367 6.592 -3.937 1.00 52.42 H new ATOM 950 N ALA A 70 7.708 1.605 -0.657 1.00 12.43 N ATOM 951 CA ALA A 70 6.468 1.519 -1.435 1.00 72.41 C ATOM 952 C ALA A 70 5.398 2.383 -0.776 1.00 14.53 C ATOM 953 O ALA A 70 5.640 2.946 0.287 1.00 42.25 O ATOM 954 CB ALA A 70 6.007 0.060 -1.570 1.00 42.14 C ATOM 0 H ALA A 70 7.549 1.612 0.351 1.00 12.43 H new ATOM 0 HA ALA A 70 6.648 1.893 -2.443 1.00 72.41 H new ATOM 0 HB1 ALA A 70 5.085 0.022 -2.151 1.00 42.14 H new ATOM 0 HB2 ALA A 70 6.779 -0.520 -2.076 1.00 42.14 H new ATOM 0 HB3 ALA A 70 5.829 -0.358 -0.579 1.00 42.14 H new ATOM 960 N PHE A 71 4.228 2.485 -1.397 1.00 33.31 N ATOM 961 CA PHE A 71 3.070 3.247 -0.938 1.00 11.12 C ATOM 962 C PHE A 71 1.893 2.296 -0.728 1.00 61.05 C ATOM 963 O PHE A 71 1.842 1.268 -1.407 1.00 71.21 O ATOM 964 CB PHE A 71 2.740 4.297 -2.014 1.00 24.14 C ATOM 965 CG PHE A 71 3.276 5.682 -1.719 1.00 0.34 C ATOM 966 CD1 PHE A 71 2.891 6.343 -0.539 1.00 61.04 C ATOM 967 CD2 PHE A 71 4.119 6.334 -2.636 1.00 33.44 C ATOM 968 CE1 PHE A 71 3.366 7.637 -0.273 1.00 73.35 C ATOM 969 CE2 PHE A 71 4.604 7.624 -2.363 1.00 21.10 C ATOM 970 CZ PHE A 71 4.230 8.275 -1.178 1.00 61.25 C ATOM 0 H PHE A 71 4.051 2.012 -2.283 1.00 33.31 H new ATOM 0 HA PHE A 71 3.277 3.746 0.008 1.00 11.12 H new ATOM 0 HB2 PHE A 71 3.143 3.960 -2.969 1.00 24.14 H new ATOM 0 HB3 PHE A 71 1.658 4.356 -2.128 1.00 24.14 H new ATOM 0 HD1 PHE A 71 2.230 5.855 0.162 1.00 61.04 H new ATOM 0 HD2 PHE A 71 4.395 5.840 -3.556 1.00 33.44 H new ATOM 0 HE1 PHE A 71 3.066 8.144 0.632 1.00 73.35 H new ATOM 0 HE2 PHE A 71 5.264 8.114 -3.064 1.00 21.10 H new ATOM 0 HZ PHE A 71 4.606 9.264 -0.962 1.00 61.25 H new ATOM 979 N ILE A 72 0.931 2.659 0.132 1.00 60.33 N ATOM 980 CA ILE A 72 -0.368 2.001 0.245 1.00 62.32 C ATOM 981 C ILE A 72 -1.442 3.072 0.481 1.00 33.11 C ATOM 982 O ILE A 72 -1.405 3.772 1.497 1.00 14.40 O ATOM 983 CB ILE A 72 -0.438 0.906 1.341 1.00 53.23 C ATOM 984 CG1 ILE A 72 0.832 0.049 1.493 1.00 32.12 C ATOM 985 CG2 ILE A 72 -1.650 -0.005 1.051 1.00 41.35 C ATOM 986 CD1 ILE A 72 0.807 -0.865 2.725 1.00 2.10 C ATOM 0 H ILE A 72 1.042 3.437 0.782 1.00 60.33 H new ATOM 0 HA ILE A 72 -0.541 1.472 -0.692 1.00 62.32 H new ATOM 0 HB ILE A 72 -0.539 1.432 2.290 1.00 53.23 H new ATOM 0 HG12 ILE A 72 0.958 -0.562 0.599 1.00 32.12 H new ATOM 0 HG13 ILE A 72 1.699 0.706 1.555 1.00 32.12 H new ATOM 0 HG21 ILE A 72 -1.713 -0.781 1.814 1.00 41.35 H new ATOM 0 HG22 ILE A 72 -2.563 0.590 1.062 1.00 41.35 H new ATOM 0 HG23 ILE A 72 -1.531 -0.468 0.071 1.00 41.35 H new ATOM 0 HD11 ILE A 72 1.732 -1.440 2.770 1.00 2.10 H new ATOM 0 HD12 ILE A 72 0.712 -0.259 3.626 1.00 2.10 H new ATOM 0 HD13 ILE A 72 -0.041 -1.547 2.655 1.00 2.10 H new ATOM 997 N GLN A 73 -2.404 3.181 -0.441 1.00 61.25 N ATOM 998 CA GLN A 73 -3.668 3.889 -0.235 1.00 71.11 C ATOM 999 C GLN A 73 -4.464 3.151 0.847 1.00 72.12 C ATOM 1000 O GLN A 73 -4.750 1.959 0.704 1.00 32.24 O ATOM 1001 CB GLN A 73 -4.451 3.963 -1.561 1.00 71.45 C ATOM 1002 CG GLN A 73 -4.125 5.226 -2.378 1.00 54.11 C ATOM 1003 CD GLN A 73 -5.158 6.345 -2.199 1.00 51.42 C ATOM 1004 OE1 GLN A 73 -6.366 6.140 -2.302 1.00 24.13 O ATOM 1005 NE2 GLN A 73 -4.733 7.565 -1.934 1.00 55.14 N ATOM 0 H GLN A 73 -2.322 2.770 -1.371 1.00 61.25 H new ATOM 0 HA GLN A 73 -3.486 4.912 0.094 1.00 71.11 H new ATOM 0 HB2 GLN A 73 -4.226 3.081 -2.160 1.00 71.45 H new ATOM 0 HB3 GLN A 73 -5.520 3.940 -1.348 1.00 71.45 H new ATOM 0 HG2 GLN A 73 -3.143 5.597 -2.085 1.00 54.11 H new ATOM 0 HG3 GLN A 73 -4.064 4.962 -3.434 1.00 54.11 H new ATOM 0 HE21 GLN A 73 -3.734 7.749 -1.846 1.00 55.14 H new ATOM 0 HE22 GLN A 73 -5.404 8.325 -1.817 1.00 55.14 H new ATOM 1012 N LEU A 74 -4.783 3.857 1.932 1.00 12.11 N ATOM 1013 CA LEU A 74 -5.344 3.319 3.178 1.00 73.15 C ATOM 1014 C LEU A 74 -6.550 4.167 3.621 1.00 32.30 C ATOM 1015 O LEU A 74 -7.252 4.667 2.748 1.00 11.41 O ATOM 1016 CB LEU A 74 -4.228 3.129 4.233 1.00 1.24 C ATOM 1017 CG LEU A 74 -4.218 1.729 4.885 1.00 44.33 C ATOM 1018 CD1 LEU A 74 -5.552 1.405 5.552 1.00 31.20 C ATOM 1019 CD2 LEU A 74 -3.832 0.617 3.905 1.00 41.23 C ATOM 0 H LEU A 74 -4.652 4.868 1.971 1.00 12.11 H new ATOM 0 HA LEU A 74 -5.747 2.318 3.025 1.00 73.15 H new ATOM 0 HB2 LEU A 74 -3.261 3.307 3.762 1.00 1.24 H new ATOM 0 HB3 LEU A 74 -4.346 3.882 5.013 1.00 1.24 H new ATOM 0 HG LEU A 74 -3.446 1.768 5.653 1.00 44.33 H new ATOM 0 HD11 LEU A 74 -5.504 0.412 5.999 1.00 31.20 H new ATOM 0 HD12 LEU A 74 -5.759 2.142 6.328 1.00 31.20 H new ATOM 0 HD13 LEU A 74 -6.347 1.429 4.807 1.00 31.20 H new ATOM 0 HD21 LEU A 74 -3.843 -0.343 4.421 1.00 41.23 H new ATOM 0 HD22 LEU A 74 -4.546 0.594 3.081 1.00 41.23 H new ATOM 0 HD23 LEU A 74 -2.833 0.808 3.514 1.00 41.23 H new ATOM 1030 N SER A 75 -6.926 4.236 4.900 1.00 42.14 N ATOM 1031 CA SER A 75 -8.034 5.078 5.350 1.00 73.15 C ATOM 1032 C SER A 75 -7.723 5.651 6.733 1.00 0.33 C ATOM 1033 O SER A 75 -6.713 5.294 7.342 1.00 74.11 O ATOM 1034 CB SER A 75 -9.347 4.289 5.312 1.00 13.13 C ATOM 1035 OG SER A 75 -10.469 5.154 5.219 1.00 22.10 O ATOM 0 H SER A 75 -6.473 3.712 5.649 1.00 42.14 H new ATOM 0 HA SER A 75 -8.157 5.924 4.674 1.00 73.15 H new ATOM 0 HB2 SER A 75 -9.339 3.608 4.461 1.00 13.13 H new ATOM 0 HB3 SER A 75 -9.431 3.677 6.210 1.00 13.13 H new ATOM 0 HG SER A 75 -11.291 4.622 5.195 1.00 22.10 H new ATOM 1040 N THR A 76 -8.588 6.540 7.214 1.00 11.51 N ATOM 1041 CA THR A 76 -8.330 7.531 8.246 1.00 34.03 C ATOM 1042 C THR A 76 -7.800 6.891 9.540 1.00 2.40 C ATOM 1043 O THR A 76 -6.610 7.015 9.846 1.00 2.54 O ATOM 1044 CB THR A 76 -9.592 8.406 8.435 1.00 22.33 C ATOM 1045 OG1 THR A 76 -10.351 8.532 7.233 1.00 72.42 O ATOM 1046 CG2 THR A 76 -9.189 9.809 8.890 1.00 53.35 C ATOM 0 H THR A 76 -9.547 6.588 6.870 1.00 11.51 H new ATOM 0 HA THR A 76 -7.524 8.193 7.930 1.00 34.03 H new ATOM 0 HB THR A 76 -10.208 7.910 9.185 1.00 22.33 H new ATOM 0 HG1 THR A 76 -11.138 9.091 7.400 1.00 72.42 H new ATOM 0 HG21 THR A 76 -10.082 10.420 9.021 1.00 53.35 H new ATOM 0 HG22 THR A 76 -8.652 9.744 9.836 1.00 53.35 H new ATOM 0 HG23 THR A 76 -8.545 10.265 8.138 1.00 53.35 H new ATOM 1054 N ILE A 77 -8.651 6.199 10.306 1.00 44.22 N ATOM 1055 CA ILE A 77 -8.228 5.460 11.499 1.00 43.11 C ATOM 1056 C ILE A 77 -7.392 4.246 11.121 1.00 71.35 C ATOM 1057 O ILE A 77 -6.448 3.905 11.830 1.00 14.52 O ATOM 1058 CB ILE A 77 -9.466 5.095 12.350 1.00 42.24 C ATOM 1059 CG1 ILE A 77 -9.896 6.383 13.072 1.00 23.42 C ATOM 1060 CG2 ILE A 77 -9.219 3.965 13.359 1.00 51.31 C ATOM 1061 CD1 ILE A 77 -11.189 6.271 13.880 1.00 74.22 C ATOM 0 H ILE A 77 -9.651 6.136 10.116 1.00 44.22 H new ATOM 0 HA ILE A 77 -7.584 6.092 12.110 1.00 43.11 H new ATOM 0 HB ILE A 77 -10.245 4.710 11.692 1.00 42.24 H new ATOM 0 HG12 ILE A 77 -9.093 6.692 13.741 1.00 23.42 H new ATOM 0 HG13 ILE A 77 -10.016 7.174 12.332 1.00 23.42 H new ATOM 0 HG21 ILE A 77 -10.135 3.768 13.917 1.00 51.31 H new ATOM 0 HG22 ILE A 77 -8.917 3.062 12.828 1.00 51.31 H new ATOM 0 HG23 ILE A 77 -8.430 4.261 14.050 1.00 51.31 H new ATOM 0 HD11 ILE A 77 -11.408 7.229 14.351 1.00 74.22 H new ATOM 0 HD12 ILE A 77 -12.010 5.997 13.217 1.00 74.22 H new ATOM 0 HD13 ILE A 77 -11.073 5.507 14.649 1.00 74.22 H new ATOM 1072 N GLU A 78 -7.725 3.605 10.005 1.00 62.31 N ATOM 1073 CA GLU A 78 -7.104 2.352 9.581 1.00 2.44 C ATOM 1074 C GLU A 78 -5.589 2.479 9.525 1.00 35.00 C ATOM 1075 O GLU A 78 -4.883 1.593 9.993 1.00 52.42 O ATOM 1076 CB GLU A 78 -7.630 1.920 8.213 1.00 75.44 C ATOM 1077 CG GLU A 78 -9.101 1.524 8.250 1.00 20.30 C ATOM 1078 CD GLU A 78 -9.353 0.084 8.720 1.00 63.21 C ATOM 1079 OE1 GLU A 78 -8.513 -0.511 9.439 1.00 42.32 O ATOM 1080 OE2 GLU A 78 -10.402 -0.480 8.333 1.00 32.01 O ATOM 0 H GLU A 78 -8.441 3.943 9.362 1.00 62.31 H new ATOM 0 HA GLU A 78 -7.365 1.594 10.320 1.00 2.44 H new ATOM 0 HB2 GLU A 78 -7.495 2.735 7.502 1.00 75.44 H new ATOM 0 HB3 GLU A 78 -7.040 1.079 7.850 1.00 75.44 H new ATOM 0 HG2 GLU A 78 -9.634 2.208 8.910 1.00 20.30 H new ATOM 0 HG3 GLU A 78 -9.525 1.648 7.253 1.00 20.30 H new ATOM 1085 N ALA A 79 -5.091 3.588 8.982 1.00 14.41 N ATOM 1086 CA ALA A 79 -3.672 3.795 8.784 1.00 24.41 C ATOM 1087 C ALA A 79 -2.969 3.953 10.129 1.00 40.43 C ATOM 1088 O ALA A 79 -1.819 3.543 10.274 1.00 12.34 O ATOM 1089 CB ALA A 79 -3.454 5.035 7.915 1.00 74.01 C ATOM 0 H ALA A 79 -5.669 4.367 8.668 1.00 14.41 H new ATOM 0 HA ALA A 79 -3.248 2.928 8.278 1.00 24.41 H new ATOM 0 HB1 ALA A 79 -2.386 5.191 7.766 1.00 74.01 H new ATOM 0 HB2 ALA A 79 -3.938 4.892 6.949 1.00 74.01 H new ATOM 0 HB3 ALA A 79 -3.882 5.906 8.410 1.00 74.01 H new ATOM 1095 N ALA A 80 -3.649 4.553 11.111 1.00 64.42 N ATOM 1096 CA ALA A 80 -3.077 4.714 12.429 1.00 75.13 C ATOM 1097 C ALA A 80 -3.054 3.371 13.158 1.00 51.55 C ATOM 1098 O ALA A 80 -2.020 2.941 13.671 1.00 73.24 O ATOM 1099 CB ALA A 80 -3.834 5.778 13.231 1.00 4.33 C ATOM 0 H ALA A 80 -4.591 4.930 11.008 1.00 64.42 H new ATOM 0 HA ALA A 80 -2.049 5.062 12.325 1.00 75.13 H new ATOM 0 HB1 ALA A 80 -3.383 5.879 14.218 1.00 4.33 H new ATOM 0 HB2 ALA A 80 -3.781 6.733 12.709 1.00 4.33 H new ATOM 0 HB3 ALA A 80 -4.877 5.480 13.337 1.00 4.33 H new ATOM 1105 N GLN A 81 -4.202 2.696 13.221 1.00 44.13 N ATOM 1106 CA GLN A 81 -4.321 1.466 13.987 1.00 2.44 C ATOM 1107 C GLN A 81 -3.455 0.359 13.394 1.00 71.14 C ATOM 1108 O GLN A 81 -2.806 -0.368 14.143 1.00 73.43 O ATOM 1109 CB GLN A 81 -5.792 1.099 14.179 1.00 33.33 C ATOM 1110 CG GLN A 81 -6.515 0.468 12.989 1.00 75.31 C ATOM 1111 CD GLN A 81 -8.015 0.297 13.259 1.00 75.22 C ATOM 1112 OE1 GLN A 81 -8.496 0.477 14.376 1.00 42.41 O ATOM 1113 NE2 GLN A 81 -8.815 -0.070 12.267 1.00 60.15 N ATOM 0 H GLN A 81 -5.059 2.984 12.749 1.00 44.13 H new ATOM 0 HA GLN A 81 -3.923 1.618 14.990 1.00 2.44 H new ATOM 0 HB2 GLN A 81 -5.861 0.410 15.021 1.00 33.33 H new ATOM 0 HB3 GLN A 81 -6.332 2.003 14.462 1.00 33.33 H new ATOM 0 HG2 GLN A 81 -6.373 1.091 12.106 1.00 75.31 H new ATOM 0 HG3 GLN A 81 -6.072 -0.503 12.768 1.00 75.31 H new ATOM 0 HE21 GLN A 81 -8.433 -0.224 11.334 1.00 60.15 H new ATOM 0 HE22 GLN A 81 -9.812 -0.199 12.437 1.00 60.15 H new ATOM 1120 N LEU A 82 -3.372 0.277 12.061 1.00 24.01 N ATOM 1121 CA LEU A 82 -2.510 -0.688 11.397 1.00 31.33 C ATOM 1122 C LEU A 82 -1.069 -0.474 11.826 1.00 32.31 C ATOM 1123 O LEU A 82 -0.422 -1.443 12.205 1.00 33.42 O ATOM 1124 CB LEU A 82 -2.612 -0.588 9.872 1.00 34.21 C ATOM 1125 CG LEU A 82 -3.829 -1.295 9.251 1.00 24.13 C ATOM 1126 CD1 LEU A 82 -3.847 -0.966 7.759 1.00 13.21 C ATOM 1127 CD2 LEU A 82 -3.779 -2.818 9.416 1.00 74.32 C ATOM 0 H LEU A 82 -3.898 0.875 11.424 1.00 24.01 H new ATOM 0 HA LEU A 82 -2.842 -1.684 11.691 1.00 31.33 H new ATOM 0 HB2 LEU A 82 -2.643 0.465 9.594 1.00 34.21 H new ATOM 0 HB3 LEU A 82 -1.706 -1.007 9.435 1.00 34.21 H new ATOM 0 HG LEU A 82 -4.724 -0.944 9.764 1.00 24.13 H new ATOM 0 HD11 LEU A 82 -4.701 -1.454 7.289 1.00 13.21 H new ATOM 0 HD12 LEU A 82 -3.927 0.113 7.625 1.00 13.21 H new ATOM 0 HD13 LEU A 82 -2.926 -1.322 7.297 1.00 13.21 H new ATOM 0 HD21 LEU A 82 -4.663 -3.263 8.959 1.00 74.32 H new ATOM 0 HD22 LEU A 82 -2.884 -3.207 8.930 1.00 74.32 H new ATOM 0 HD23 LEU A 82 -3.754 -3.068 10.477 1.00 74.32 H new ATOM 1138 N LEU A 83 -0.569 0.766 11.812 1.00 20.04 N ATOM 1139 CA LEU A 83 0.817 1.046 12.166 1.00 13.42 C ATOM 1140 C LEU A 83 1.174 0.456 13.529 1.00 22.01 C ATOM 1141 O LEU A 83 2.273 -0.072 13.690 1.00 21.03 O ATOM 1142 CB LEU A 83 1.058 2.561 12.163 1.00 61.14 C ATOM 1143 CG LEU A 83 2.516 2.945 12.475 1.00 40.14 C ATOM 1144 CD1 LEU A 83 3.456 2.512 11.349 1.00 40.43 C ATOM 1145 CD2 LEU A 83 2.586 4.460 12.642 1.00 22.11 C ATOM 0 H LEU A 83 -1.111 1.592 11.557 1.00 20.04 H new ATOM 0 HA LEU A 83 1.460 0.576 11.422 1.00 13.42 H new ATOM 0 HB2 LEU A 83 0.784 2.964 11.188 1.00 61.14 H new ATOM 0 HB3 LEU A 83 0.401 3.028 12.897 1.00 61.14 H new ATOM 0 HG LEU A 83 2.831 2.439 13.387 1.00 40.14 H new ATOM 0 HD11 LEU A 83 4.478 2.797 11.598 1.00 40.43 H new ATOM 0 HD12 LEU A 83 3.401 1.431 11.225 1.00 40.43 H new ATOM 0 HD13 LEU A 83 3.160 2.999 10.420 1.00 40.43 H new ATOM 0 HD21 LEU A 83 3.612 4.755 12.864 1.00 22.11 H new ATOM 0 HD22 LEU A 83 2.261 4.943 11.720 1.00 22.11 H new ATOM 0 HD23 LEU A 83 1.935 4.766 13.461 1.00 22.11 H new ATOM 1156 N GLN A 84 0.258 0.542 14.496 1.00 43.25 N ATOM 1157 CA GLN A 84 0.458 -0.001 15.830 1.00 51.42 C ATOM 1158 C GLN A 84 0.529 -1.530 15.770 1.00 24.02 C ATOM 1159 O GLN A 84 1.437 -2.115 16.359 1.00 12.44 O ATOM 1160 CB GLN A 84 -0.657 0.508 16.768 1.00 11.20 C ATOM 1161 CG GLN A 84 -0.077 1.049 18.086 1.00 72.04 C ATOM 1162 CD GLN A 84 -1.082 1.911 18.848 1.00 55.33 C ATOM 1163 OE1 GLN A 84 -1.647 1.508 19.861 1.00 11.14 O ATOM 1164 NE2 GLN A 84 -1.347 3.116 18.367 1.00 22.04 N ATOM 0 H GLN A 84 -0.647 0.994 14.369 1.00 43.25 H new ATOM 0 HA GLN A 84 1.408 0.344 16.237 1.00 51.42 H new ATOM 0 HB2 GLN A 84 -1.224 1.293 16.269 1.00 11.20 H new ATOM 0 HB3 GLN A 84 -1.354 -0.303 16.981 1.00 11.20 H new ATOM 0 HG2 GLN A 84 0.233 0.214 18.714 1.00 72.04 H new ATOM 0 HG3 GLN A 84 0.816 1.637 17.874 1.00 72.04 H new ATOM 0 HE21 GLN A 84 -0.874 3.444 17.525 1.00 22.04 H new ATOM 0 HE22 GLN A 84 -2.024 3.716 18.838 1.00 22.04 H new ATOM 1171 N ILE A 85 -0.396 -2.165 15.043 1.00 10.53 N ATOM 1172 CA ILE A 85 -0.494 -3.616 14.867 1.00 43.55 C ATOM 1173 C ILE A 85 0.782 -4.163 14.198 1.00 73.41 C ATOM 1174 O ILE A 85 1.283 -5.230 14.570 1.00 11.30 O ATOM 1175 CB ILE A 85 -1.785 -3.937 14.071 1.00 22.11 C ATOM 1176 CG1 ILE A 85 -3.038 -3.525 14.888 1.00 2.50 C ATOM 1177 CG2 ILE A 85 -1.914 -5.439 13.766 1.00 10.41 C ATOM 1178 CD1 ILE A 85 -4.325 -3.446 14.062 1.00 74.15 C ATOM 0 H ILE A 85 -1.127 -1.660 14.541 1.00 10.53 H new ATOM 0 HA ILE A 85 -0.567 -4.116 15.833 1.00 43.55 H new ATOM 0 HB ILE A 85 -1.720 -3.378 13.137 1.00 22.11 H new ATOM 0 HG12 ILE A 85 -3.182 -4.241 15.698 1.00 2.50 H new ATOM 0 HG13 ILE A 85 -2.855 -2.554 15.349 1.00 2.50 H new ATOM 0 HG21 ILE A 85 -2.832 -5.619 13.207 1.00 10.41 H new ATOM 0 HG22 ILE A 85 -1.059 -5.765 13.174 1.00 10.41 H new ATOM 0 HG23 ILE A 85 -1.942 -5.999 14.701 1.00 10.41 H new ATOM 0 HD11 ILE A 85 -5.153 -3.152 14.706 1.00 74.15 H new ATOM 0 HD12 ILE A 85 -4.203 -2.709 13.268 1.00 74.15 H new ATOM 0 HD13 ILE A 85 -4.536 -4.421 13.622 1.00 74.15 H new ATOM 1189 N LEU A 86 1.313 -3.443 13.203 1.00 25.44 N ATOM 1190 CA LEU A 86 2.468 -3.855 12.408 1.00 25.22 C ATOM 1191 C LEU A 86 3.735 -3.989 13.250 1.00 1.34 C ATOM 1192 O LEU A 86 4.660 -4.688 12.836 1.00 50.11 O ATOM 1193 CB LEU A 86 2.733 -2.852 11.272 1.00 62.05 C ATOM 1194 CG LEU A 86 2.143 -3.250 9.910 1.00 14.41 C ATOM 1195 CD1 LEU A 86 0.618 -3.179 9.863 1.00 5.13 C ATOM 1196 CD2 LEU A 86 2.657 -2.272 8.854 1.00 23.02 C ATOM 0 H LEU A 86 0.940 -2.536 12.924 1.00 25.44 H new ATOM 0 HA LEU A 86 2.223 -4.834 11.995 1.00 25.22 H new ATOM 0 HB2 LEU A 86 2.325 -1.883 11.560 1.00 62.05 H new ATOM 0 HB3 LEU A 86 3.810 -2.725 11.162 1.00 62.05 H new ATOM 0 HG LEU A 86 2.447 -4.281 9.730 1.00 14.41 H new ATOM 0 HD11 LEU A 86 0.270 -3.473 8.873 1.00 5.13 H new ATOM 0 HD12 LEU A 86 0.199 -3.854 10.610 1.00 5.13 H new ATOM 0 HD13 LEU A 86 0.295 -2.160 10.073 1.00 5.13 H new ATOM 0 HD21 LEU A 86 2.248 -2.540 7.880 1.00 23.02 H new ATOM 0 HD22 LEU A 86 2.345 -1.260 9.113 1.00 23.02 H new ATOM 0 HD23 LEU A 86 3.745 -2.317 8.815 1.00 23.02 H new ATOM 1207 N GLN A 87 3.804 -3.329 14.410 1.00 62.04 N ATOM 1208 CA GLN A 87 4.965 -3.375 15.291 1.00 44.34 C ATOM 1209 C GLN A 87 5.205 -4.793 15.837 1.00 45.23 C ATOM 1210 O GLN A 87 6.316 -5.077 16.294 1.00 52.11 O ATOM 1211 CB GLN A 87 4.780 -2.380 16.445 1.00 15.41 C ATOM 1212 CG GLN A 87 4.721 -0.910 15.979 1.00 74.13 C ATOM 1213 CD GLN A 87 6.082 -0.225 15.839 1.00 13.51 C ATOM 1214 OE1 GLN A 87 6.970 -0.425 16.667 1.00 14.51 O ATOM 1215 NE2 GLN A 87 6.278 0.635 14.847 1.00 41.54 N ATOM 0 H GLN A 87 3.047 -2.744 14.763 1.00 62.04 H new ATOM 0 HA GLN A 87 5.844 -3.095 14.710 1.00 44.34 H new ATOM 0 HB2 GLN A 87 3.862 -2.621 16.980 1.00 15.41 H new ATOM 0 HB3 GLN A 87 5.601 -2.497 17.152 1.00 15.41 H new ATOM 0 HG2 GLN A 87 4.209 -0.869 15.018 1.00 74.13 H new ATOM 0 HG3 GLN A 87 4.116 -0.343 16.687 1.00 74.13 H new ATOM 0 HE21 GLN A 87 5.541 0.800 14.162 1.00 41.54 H new ATOM 0 HE22 GLN A 87 7.166 1.131 14.770 1.00 41.54 H new ATOM 1222 N ALA A 88 4.195 -5.672 15.799 1.00 2.22 N ATOM 1223 CA ALA A 88 4.168 -6.942 16.516 1.00 63.31 C ATOM 1224 C ALA A 88 3.810 -8.133 15.612 1.00 21.10 C ATOM 1225 O ALA A 88 3.376 -9.179 16.111 1.00 22.42 O ATOM 1226 CB ALA A 88 3.174 -6.808 17.668 1.00 61.44 C ATOM 0 H ALA A 88 3.351 -5.509 15.250 1.00 2.22 H new ATOM 0 HA ALA A 88 5.169 -7.155 16.892 1.00 63.31 H new ATOM 0 HB1 ALA A 88 3.132 -7.745 18.224 1.00 61.44 H new ATOM 0 HB2 ALA A 88 3.494 -6.006 18.333 1.00 61.44 H new ATOM 0 HB3 ALA A 88 2.185 -6.578 17.271 1.00 61.44 H new ATOM 1232 N LEU A 89 3.962 -7.994 14.293 1.00 1.51 N ATOM 1233 CA LEU A 89 3.842 -9.094 13.341 1.00 63.15 C ATOM 1234 C LEU A 89 4.873 -8.907 12.236 1.00 25.10 C ATOM 1235 O LEU A 89 5.342 -7.791 12.021 1.00 4.20 O ATOM 1236 CB LEU A 89 2.405 -9.175 12.795 1.00 3.22 C ATOM 1237 CG LEU A 89 1.965 -8.043 11.837 1.00 44.52 C ATOM 1238 CD1 LEU A 89 2.296 -8.304 10.364 1.00 25.14 C ATOM 1239 CD2 LEU A 89 0.449 -7.872 11.949 1.00 62.33 C ATOM 0 H LEU A 89 4.175 -7.099 13.852 1.00 1.51 H new ATOM 0 HA LEU A 89 4.043 -10.045 13.835 1.00 63.15 H new ATOM 0 HB2 LEU A 89 2.291 -10.126 12.274 1.00 3.22 H new ATOM 0 HB3 LEU A 89 1.719 -9.191 13.642 1.00 3.22 H new ATOM 0 HG LEU A 89 2.517 -7.153 12.140 1.00 44.52 H new ATOM 0 HD11 LEU A 89 1.955 -7.463 9.760 1.00 25.14 H new ATOM 0 HD12 LEU A 89 3.374 -8.420 10.248 1.00 25.14 H new ATOM 0 HD13 LEU A 89 1.796 -9.214 10.034 1.00 25.14 H new ATOM 0 HD21 LEU A 89 0.122 -7.077 11.279 1.00 62.33 H new ATOM 0 HD22 LEU A 89 -0.044 -8.804 11.673 1.00 62.33 H new ATOM 0 HD23 LEU A 89 0.187 -7.613 12.975 1.00 62.33 H new ATOM 1250 N HIS A 90 5.194 -9.971 11.506 1.00 33.30 N ATOM 1251 CA HIS A 90 6.036 -9.955 10.314 1.00 1.40 C ATOM 1252 C HIS A 90 5.418 -10.893 9.256 1.00 42.25 C ATOM 1253 O HIS A 90 4.856 -11.930 9.624 1.00 50.31 O ATOM 1254 CB HIS A 90 7.452 -10.440 10.662 1.00 24.33 C ATOM 1255 CG HIS A 90 8.379 -9.453 11.341 1.00 45.32 C ATOM 1256 ND1 HIS A 90 8.172 -8.779 12.527 1.00 43.43 N ATOM 1257 CD2 HIS A 90 9.659 -9.169 10.939 1.00 22.21 C ATOM 1258 CE1 HIS A 90 9.285 -8.085 12.811 1.00 23.32 C ATOM 1259 NE2 HIS A 90 10.231 -8.303 11.880 1.00 65.25 N ATOM 0 H HIS A 90 4.861 -10.907 11.738 1.00 33.30 H new ATOM 0 HA HIS A 90 6.097 -8.939 9.925 1.00 1.40 H new ATOM 0 HB2 HIS A 90 7.360 -11.314 11.307 1.00 24.33 H new ATOM 0 HB3 HIS A 90 7.930 -10.772 9.741 1.00 24.33 H new ATOM 0 HD2 HIS A 90 10.143 -9.548 10.051 1.00 22.21 H new ATOM 0 HE1 HIS A 90 9.405 -7.440 13.669 1.00 23.32 H new ATOM 0 HE2 HIS A 90 11.175 -7.916 11.863 1.00 65.25 H new ATOM 1266 N PRO A 91 5.522 -10.571 7.951 1.00 24.32 N ATOM 1267 CA PRO A 91 5.063 -11.431 6.857 1.00 63.35 C ATOM 1268 C PRO A 91 5.916 -12.701 6.667 1.00 30.14 C ATOM 1269 O PRO A 91 7.058 -12.749 7.128 1.00 64.21 O ATOM 1270 CB PRO A 91 5.149 -10.569 5.590 1.00 25.41 C ATOM 1271 CG PRO A 91 6.177 -9.495 5.934 1.00 24.00 C ATOM 1272 CD PRO A 91 6.005 -9.302 7.434 1.00 4.21 C ATOM 0 HA PRO A 91 4.056 -11.785 7.078 1.00 63.35 H new ATOM 0 HB2 PRO A 91 5.463 -11.158 4.728 1.00 25.41 H new ATOM 0 HB3 PRO A 91 4.183 -10.130 5.341 1.00 25.41 H new ATOM 0 HG2 PRO A 91 7.189 -9.814 5.684 1.00 24.00 H new ATOM 0 HG3 PRO A 91 5.990 -8.571 5.387 1.00 24.00 H new ATOM 0 HD2 PRO A 91 6.950 -9.025 7.902 1.00 4.21 H new ATOM 0 HD3 PRO A 91 5.297 -8.500 7.645 1.00 4.21 H new ATOM 1277 N PRO A 92 5.409 -13.692 5.904 1.00 33.41 N ATOM 1278 CA PRO A 92 6.065 -14.989 5.702 1.00 33.10 C ATOM 1279 C PRO A 92 7.180 -14.978 4.641 1.00 13.22 C ATOM 1280 O PRO A 92 7.923 -15.958 4.513 1.00 31.20 O ATOM 1281 CB PRO A 92 4.926 -15.917 5.263 1.00 14.52 C ATOM 1282 CG PRO A 92 3.962 -14.999 4.522 1.00 43.25 C ATOM 1283 CD PRO A 92 4.075 -13.696 5.305 1.00 70.45 C ATOM 0 HA PRO A 92 6.572 -15.300 6.615 1.00 33.10 H new ATOM 0 HB2 PRO A 92 5.290 -16.717 4.618 1.00 14.52 H new ATOM 0 HB3 PRO A 92 4.446 -16.391 6.119 1.00 14.52 H new ATOM 0 HG2 PRO A 92 4.247 -14.870 3.478 1.00 43.25 H new ATOM 0 HG3 PRO A 92 2.944 -15.389 4.529 1.00 43.25 H new ATOM 0 HD2 PRO A 92 3.940 -12.836 4.650 1.00 70.45 H new ATOM 0 HD3 PRO A 92 3.304 -13.636 6.073 1.00 70.45 H new ATOM 1288 N LEU A 93 7.266 -13.912 3.842 1.00 52.11 N ATOM 1289 CA LEU A 93 8.253 -13.728 2.780 1.00 12.30 C ATOM 1290 C LEU A 93 9.609 -13.389 3.411 1.00 65.42 C ATOM 1291 O LEU A 93 9.669 -12.844 4.513 1.00 53.13 O ATOM 1292 CB LEU A 93 7.688 -12.701 1.763 1.00 21.00 C ATOM 1293 CG LEU A 93 8.133 -11.234 1.801 1.00 25.30 C ATOM 1294 CD1 LEU A 93 7.836 -10.500 3.112 1.00 64.32 C ATOM 1295 CD2 LEU A 93 9.585 -11.029 1.382 1.00 64.31 C ATOM 0 H LEU A 93 6.624 -13.123 3.922 1.00 52.11 H new ATOM 0 HA LEU A 93 8.439 -14.634 2.202 1.00 12.30 H new ATOM 0 HB2 LEU A 93 7.915 -13.079 0.766 1.00 21.00 H new ATOM 0 HB3 LEU A 93 6.603 -12.710 1.868 1.00 21.00 H new ATOM 0 HG LEU A 93 7.499 -10.769 1.047 1.00 25.30 H new ATOM 0 HD11 LEU A 93 8.188 -9.471 3.041 1.00 64.32 H new ATOM 0 HD12 LEU A 93 6.762 -10.504 3.296 1.00 64.32 H new ATOM 0 HD13 LEU A 93 8.347 -11.002 3.934 1.00 64.32 H new ATOM 0 HD21 LEU A 93 9.832 -9.969 1.432 1.00 64.31 H new ATOM 0 HD22 LEU A 93 10.239 -11.586 2.053 1.00 64.31 H new ATOM 0 HD23 LEU A 93 9.723 -11.386 0.361 1.00 64.31 H new ATOM 1306 N THR A 94 10.728 -13.657 2.736 1.00 34.13 N ATOM 1307 CA THR A 94 12.016 -13.052 3.084 1.00 63.01 C ATOM 1308 C THR A 94 12.859 -12.999 1.804 1.00 4.44 C ATOM 1309 O THR A 94 13.660 -13.885 1.504 1.00 3.23 O ATOM 1310 CB THR A 94 12.718 -13.810 4.218 1.00 10.50 C ATOM 1311 OG1 THR A 94 11.830 -14.246 5.236 1.00 5.12 O ATOM 1312 CG2 THR A 94 13.806 -12.993 4.899 1.00 30.10 C ATOM 0 H THR A 94 10.768 -14.293 1.940 1.00 34.13 H new ATOM 0 HA THR A 94 11.868 -12.043 3.469 1.00 63.01 H new ATOM 0 HB THR A 94 13.156 -14.671 3.712 1.00 10.50 H new ATOM 0 HG1 THR A 94 11.085 -13.614 5.313 1.00 5.12 H new ATOM 0 HG21 THR A 94 14.264 -13.585 5.691 1.00 30.10 H new ATOM 0 HG22 THR A 94 14.565 -12.717 4.167 1.00 30.10 H new ATOM 0 HG23 THR A 94 13.369 -12.091 5.327 1.00 30.10 H new ATOM 1320 N ILE A 95 12.616 -11.973 1.002 1.00 4.42 N ATOM 1321 CA ILE A 95 13.333 -11.731 -0.240 1.00 42.34 C ATOM 1322 C ILE A 95 14.744 -11.324 0.166 1.00 41.13 C ATOM 1323 O ILE A 95 14.912 -10.464 1.023 1.00 52.55 O ATOM 1324 CB ILE A 95 12.592 -10.696 -1.121 1.00 31.01 C ATOM 1325 CG1 ILE A 95 13.155 -10.584 -2.555 1.00 11.41 C ATOM 1326 CG2 ILE A 95 12.487 -9.325 -0.462 1.00 52.24 C ATOM 1327 CD1 ILE A 95 14.284 -9.571 -2.782 1.00 12.21 C ATOM 0 H ILE A 95 11.902 -11.273 1.200 1.00 4.42 H new ATOM 0 HA ILE A 95 13.385 -12.616 -0.874 1.00 42.34 H new ATOM 0 HB ILE A 95 11.581 -11.092 -1.216 1.00 31.01 H new ATOM 0 HG12 ILE A 95 13.517 -11.568 -2.855 1.00 11.41 H new ATOM 0 HG13 ILE A 95 12.332 -10.330 -3.223 1.00 11.41 H new ATOM 0 HG21 ILE A 95 11.958 -8.642 -1.126 1.00 52.24 H new ATOM 0 HG22 ILE A 95 11.941 -9.414 0.477 1.00 52.24 H new ATOM 0 HG23 ILE A 95 13.487 -8.938 -0.265 1.00 52.24 H new ATOM 0 HD11 ILE A 95 14.587 -9.593 -3.829 1.00 12.21 H new ATOM 0 HD12 ILE A 95 13.933 -8.571 -2.526 1.00 12.21 H new ATOM 0 HD13 ILE A 95 15.136 -9.828 -2.152 1.00 12.21 H new ATOM 1338 N ASP A 96 15.741 -11.973 -0.417 1.00 42.33 N ATOM 1339 CA ASP A 96 17.180 -11.729 -0.241 1.00 14.11 C ATOM 1340 C ASP A 96 17.587 -11.547 1.238 1.00 42.33 C ATOM 1341 O ASP A 96 18.491 -10.775 1.568 1.00 24.40 O ATOM 1342 CB ASP A 96 17.618 -10.546 -1.122 1.00 32.43 C ATOM 1343 CG ASP A 96 17.426 -10.714 -2.636 1.00 44.11 C ATOM 1344 OD1 ASP A 96 17.025 -11.803 -3.117 1.00 72.24 O ATOM 1345 OD2 ASP A 96 17.648 -9.701 -3.348 1.00 1.53 O ATOM 0 H ASP A 96 15.563 -12.736 -1.070 1.00 42.33 H new ATOM 0 HA ASP A 96 17.713 -12.621 -0.569 1.00 14.11 H new ATOM 0 HB2 ASP A 96 17.067 -9.661 -0.804 1.00 32.43 H new ATOM 0 HB3 ASP A 96 18.673 -10.350 -0.931 1.00 32.43 H new ATOM 1349 N GLY A 97 16.898 -12.236 2.152 1.00 53.51 N ATOM 1350 CA GLY A 97 17.165 -12.231 3.584 1.00 3.53 C ATOM 1351 C GLY A 97 16.591 -11.022 4.331 1.00 30.01 C ATOM 1352 O GLY A 97 16.813 -10.884 5.535 1.00 2.41 O ATOM 0 H GLY A 97 16.110 -12.833 1.900 1.00 53.51 H new ATOM 0 HA2 GLY A 97 16.754 -13.141 4.021 1.00 3.53 H new ATOM 0 HA3 GLY A 97 18.243 -12.261 3.740 1.00 3.53 H new ATOM 1356 N LYS A 98 15.844 -10.145 3.661 1.00 1.34 N ATOM 1357 CA LYS A 98 15.341 -8.896 4.222 1.00 31.32 C ATOM 1358 C LYS A 98 13.994 -9.075 4.867 1.00 43.52 C ATOM 1359 O LYS A 98 13.202 -9.932 4.466 1.00 50.51 O ATOM 1360 CB LYS A 98 15.156 -7.879 3.099 1.00 10.54 C ATOM 1361 CG LYS A 98 16.490 -7.295 2.665 1.00 64.33 C ATOM 1362 CD LYS A 98 16.649 -5.888 3.231 1.00 5.30 C ATOM 1363 CE LYS A 98 17.966 -5.262 2.789 1.00 23.04 C ATOM 1364 NZ LYS A 98 19.080 -5.591 3.701 1.00 43.45 N ATOM 0 H LYS A 98 15.566 -10.289 2.690 1.00 1.34 H new ATOM 0 HA LYS A 98 16.064 -8.563 4.966 1.00 31.32 H new ATOM 0 HB2 LYS A 98 14.670 -8.357 2.248 1.00 10.54 H new ATOM 0 HB3 LYS A 98 14.497 -7.078 3.434 1.00 10.54 H new ATOM 0 HG2 LYS A 98 17.305 -7.930 3.012 1.00 64.33 H new ATOM 0 HG3 LYS A 98 16.548 -7.267 1.577 1.00 64.33 H new ATOM 0 HD2 LYS A 98 15.818 -5.264 2.901 1.00 5.30 H new ATOM 0 HD3 LYS A 98 16.608 -5.924 4.320 1.00 5.30 H new ATOM 0 HE2 LYS A 98 18.209 -5.606 1.784 1.00 23.04 H new ATOM 0 HE3 LYS A 98 17.851 -4.179 2.736 1.00 23.04 H new ATOM 0 HZ1 LYS A 98 19.953 -5.143 3.358 1.00 43.45 H new ATOM 0 HZ2 LYS A 98 18.862 -5.240 4.656 1.00 43.45 H new ATOM 0 HZ3 LYS A 98 19.210 -6.622 3.733 1.00 43.45 H new ATOM 1374 N THR A 99 13.667 -8.122 5.721 1.00 10.20 N ATOM 1375 CA THR A 99 12.384 -8.030 6.388 1.00 21.10 C ATOM 1376 C THR A 99 11.901 -6.578 6.379 1.00 23.31 C ATOM 1377 O THR A 99 12.677 -5.629 6.517 1.00 30.02 O ATOM 1378 CB THR A 99 12.491 -8.647 7.790 1.00 50.53 C ATOM 1379 OG1 THR A 99 13.648 -8.208 8.467 1.00 52.43 O ATOM 1380 CG2 THR A 99 12.545 -10.177 7.709 1.00 13.43 C ATOM 0 H THR A 99 14.307 -7.369 5.976 1.00 10.20 H new ATOM 0 HA THR A 99 11.625 -8.604 5.857 1.00 21.10 H new ATOM 0 HB THR A 99 11.605 -8.326 8.338 1.00 50.53 H new ATOM 0 HG1 THR A 99 13.683 -8.619 9.356 1.00 52.43 H new ATOM 0 HG21 THR A 99 12.621 -10.592 8.714 1.00 13.43 H new ATOM 0 HG22 THR A 99 11.639 -10.548 7.230 1.00 13.43 H new ATOM 0 HG23 THR A 99 13.414 -10.480 7.125 1.00 13.43 H new ATOM 1388 N ILE A 100 10.602 -6.402 6.158 1.00 64.33 N ATOM 1389 CA ILE A 100 9.953 -5.111 5.969 1.00 62.03 C ATOM 1390 C ILE A 100 10.062 -4.333 7.294 1.00 64.45 C ATOM 1391 O ILE A 100 10.057 -4.938 8.373 1.00 24.24 O ATOM 1392 CB ILE A 100 8.488 -5.340 5.507 1.00 23.03 C ATOM 1393 CG1 ILE A 100 8.302 -6.532 4.525 1.00 5.20 C ATOM 1394 CG2 ILE A 100 7.910 -4.062 4.875 1.00 44.22 C ATOM 1395 CD1 ILE A 100 9.131 -6.460 3.234 1.00 51.45 C ATOM 0 H ILE A 100 9.949 -7.184 6.104 1.00 64.33 H new ATOM 0 HA ILE A 100 10.433 -4.517 5.191 1.00 62.03 H new ATOM 0 HB ILE A 100 7.942 -5.598 6.414 1.00 23.03 H new ATOM 0 HG12 ILE A 100 8.556 -7.454 5.048 1.00 5.20 H new ATOM 0 HG13 ILE A 100 7.248 -6.598 4.256 1.00 5.20 H new ATOM 0 HG21 ILE A 100 6.883 -4.245 4.559 1.00 44.22 H new ATOM 0 HG22 ILE A 100 7.926 -3.255 5.607 1.00 44.22 H new ATOM 0 HG23 ILE A 100 8.511 -3.780 4.011 1.00 44.22 H new ATOM 0 HD11 ILE A 100 8.927 -7.338 2.621 1.00 51.45 H new ATOM 0 HD12 ILE A 100 8.864 -5.560 2.680 1.00 51.45 H new ATOM 0 HD13 ILE A 100 10.192 -6.430 3.484 1.00 51.45 H new ATOM 1406 N ASN A 101 10.178 -3.005 7.218 1.00 23.14 N ATOM 1407 CA ASN A 101 10.180 -2.130 8.396 1.00 11.20 C ATOM 1408 C ASN A 101 8.740 -1.792 8.799 1.00 54.55 C ATOM 1409 O ASN A 101 7.791 -2.296 8.194 1.00 4.44 O ATOM 1410 CB ASN A 101 11.027 -0.868 8.123 1.00 41.32 C ATOM 1411 CG ASN A 101 12.311 -0.901 8.941 1.00 35.40 C ATOM 1412 OD1 ASN A 101 13.094 -1.841 8.841 1.00 12.43 O ATOM 1413 ND2 ASN A 101 12.555 0.101 9.761 1.00 54.24 N ATOM 0 H ASN A 101 10.274 -2.503 6.335 1.00 23.14 H new ATOM 0 HA ASN A 101 10.640 -2.648 9.237 1.00 11.20 H new ATOM 0 HB2 ASN A 101 11.266 -0.806 7.061 1.00 41.32 H new ATOM 0 HB3 ASN A 101 10.452 0.024 8.373 1.00 41.32 H new ATOM 0 HD21 ASN A 101 13.405 0.103 10.325 1.00 54.24 H new ATOM 0 HD22 ASN A 101 11.894 0.874 9.832 1.00 54.24 H new ATOM 1419 N VAL A 102 8.555 -0.902 9.778 1.00 3.33 N ATOM 1420 CA VAL A 102 7.253 -0.370 10.172 1.00 75.11 C ATOM 1421 C VAL A 102 7.362 1.160 10.168 1.00 41.53 C ATOM 1422 O VAL A 102 8.303 1.708 10.749 1.00 34.40 O ATOM 1423 CB VAL A 102 6.838 -0.955 11.538 1.00 51.15 C ATOM 1424 CG1 VAL A 102 5.432 -0.473 11.910 1.00 33.04 C ATOM 1425 CG2 VAL A 102 6.846 -2.492 11.534 1.00 73.24 C ATOM 0 H VAL A 102 9.326 -0.525 10.329 1.00 3.33 H new ATOM 0 HA VAL A 102 6.465 -0.659 9.476 1.00 75.11 H new ATOM 0 HB VAL A 102 7.568 -0.608 12.270 1.00 51.15 H new ATOM 0 HG11 VAL A 102 5.148 -0.891 12.876 1.00 33.04 H new ATOM 0 HG12 VAL A 102 5.424 0.615 11.969 1.00 33.04 H new ATOM 0 HG13 VAL A 102 4.722 -0.800 11.150 1.00 33.04 H new ATOM 0 HG21 VAL A 102 6.548 -2.860 12.516 1.00 73.24 H new ATOM 0 HG22 VAL A 102 6.147 -2.858 10.782 1.00 73.24 H new ATOM 0 HG23 VAL A 102 7.849 -2.850 11.302 1.00 73.24 H new ATOM 1435 N GLU A 103 6.472 1.836 9.437 1.00 42.25 N ATOM 1436 CA GLU A 103 6.431 3.284 9.229 1.00 63.22 C ATOM 1437 C GLU A 103 5.053 3.632 8.623 1.00 34.34 C ATOM 1438 O GLU A 103 4.385 2.736 8.099 1.00 75.42 O ATOM 1439 CB GLU A 103 7.592 3.626 8.256 1.00 32.24 C ATOM 1440 CG GLU A 103 7.674 5.050 7.691 1.00 24.40 C ATOM 1441 CD GLU A 103 7.996 6.119 8.724 1.00 13.41 C ATOM 1442 OE1 GLU A 103 7.208 6.295 9.680 1.00 40.25 O ATOM 1443 OE2 GLU A 103 9.004 6.843 8.546 1.00 75.14 O ATOM 0 H GLU A 103 5.717 1.358 8.946 1.00 42.25 H new ATOM 0 HA GLU A 103 6.553 3.855 10.149 1.00 63.22 H new ATOM 0 HB2 GLU A 103 8.530 3.419 8.772 1.00 32.24 H new ATOM 0 HB3 GLU A 103 7.533 2.937 7.413 1.00 32.24 H new ATOM 0 HG2 GLU A 103 8.435 5.075 6.911 1.00 24.40 H new ATOM 0 HG3 GLU A 103 6.724 5.295 7.217 1.00 24.40 H new ATOM 1448 N PHE A 104 4.618 4.899 8.619 1.00 3.21 N ATOM 1449 CA PHE A 104 3.525 5.388 7.791 1.00 11.14 C ATOM 1450 C PHE A 104 3.821 6.793 7.249 1.00 21.22 C ATOM 1451 O PHE A 104 4.796 7.425 7.654 1.00 23.32 O ATOM 1452 CB PHE A 104 2.188 5.308 8.529 1.00 23.10 C ATOM 1453 CG PHE A 104 1.836 6.300 9.622 1.00 51.32 C ATOM 1454 CD1 PHE A 104 2.804 7.078 10.289 1.00 72.43 C ATOM 1455 CD2 PHE A 104 0.490 6.377 10.035 1.00 1.51 C ATOM 1456 CE1 PHE A 104 2.429 7.924 11.346 1.00 41.35 C ATOM 1457 CE2 PHE A 104 0.112 7.243 11.077 1.00 61.25 C ATOM 1458 CZ PHE A 104 1.082 8.021 11.735 1.00 4.12 C ATOM 0 H PHE A 104 5.030 5.623 9.207 1.00 3.21 H new ATOM 0 HA PHE A 104 3.439 4.733 6.924 1.00 11.14 H new ATOM 0 HB2 PHE A 104 1.403 5.372 7.775 1.00 23.10 H new ATOM 0 HB3 PHE A 104 2.126 4.313 8.969 1.00 23.10 H new ATOM 0 HD1 PHE A 104 3.839 7.023 9.986 1.00 72.43 H new ATOM 0 HD2 PHE A 104 -0.256 5.767 9.548 1.00 1.51 H new ATOM 0 HE1 PHE A 104 3.180 8.503 11.863 1.00 41.35 H new ATOM 0 HE2 PHE A 104 -0.925 7.311 11.372 1.00 61.25 H new ATOM 0 HZ PHE A 104 0.793 8.688 12.534 1.00 4.12 H new ATOM 1467 N ALA A 105 2.977 7.296 6.342 1.00 63.12 N ATOM 1468 CA ALA A 105 3.123 8.595 5.692 1.00 62.22 C ATOM 1469 C ALA A 105 1.816 9.387 5.781 1.00 72.45 C ATOM 1470 O ALA A 105 1.252 9.819 4.772 1.00 11.41 O ATOM 1471 CB ALA A 105 3.580 8.392 4.246 1.00 51.55 C ATOM 0 H ALA A 105 2.147 6.790 6.032 1.00 63.12 H new ATOM 0 HA ALA A 105 3.884 9.182 6.205 1.00 62.22 H new ATOM 0 HB1 ALA A 105 3.689 9.361 3.760 1.00 51.55 H new ATOM 0 HB2 ALA A 105 4.537 7.871 4.237 1.00 51.55 H new ATOM 0 HB3 ALA A 105 2.839 7.799 3.710 1.00 51.55 H new ATOM 1477 N LYS A 106 1.303 9.558 6.997 1.00 23.44 N ATOM 1478 CA LYS A 106 0.143 10.386 7.260 1.00 34.04 C ATOM 1479 C LYS A 106 0.468 11.855 6.957 1.00 74.22 C ATOM 1480 O LYS A 106 1.168 12.522 7.720 1.00 2.40 O ATOM 1481 CB LYS A 106 -0.330 10.153 8.695 1.00 62.24 C ATOM 1482 CG LYS A 106 -1.852 10.233 8.718 1.00 35.12 C ATOM 1483 CD LYS A 106 -2.350 10.366 10.147 1.00 33.12 C ATOM 1484 CE LYS A 106 -3.881 10.418 10.161 1.00 34.44 C ATOM 1485 NZ LYS A 106 -4.417 10.805 11.476 1.00 72.22 N ATOM 0 H LYS A 106 1.690 9.118 7.832 1.00 23.44 H new ATOM 0 HA LYS A 106 -0.682 10.112 6.603 1.00 34.04 H new ATOM 0 HB2 LYS A 106 0.004 9.178 9.051 1.00 62.24 H new ATOM 0 HB3 LYS A 106 0.099 10.900 9.362 1.00 62.24 H new ATOM 0 HG2 LYS A 106 -2.187 11.086 8.128 1.00 35.12 H new ATOM 0 HG3 LYS A 106 -2.277 9.341 8.259 1.00 35.12 H new ATOM 0 HD2 LYS A 106 -2.000 9.523 10.743 1.00 33.12 H new ATOM 0 HD3 LYS A 106 -1.942 11.269 10.601 1.00 33.12 H new ATOM 0 HE2 LYS A 106 -4.225 11.128 9.408 1.00 34.44 H new ATOM 0 HE3 LYS A 106 -4.278 9.442 9.883 1.00 34.44 H new ATOM 0 HZ1 LYS A 106 -5.456 10.826 11.435 1.00 72.22 H new ATOM 0 HZ2 LYS A 106 -4.113 10.115 12.192 1.00 72.22 H new ATOM 0 HZ3 LYS A 106 -4.062 11.748 11.732 1.00 72.22 H new ATOM 1495 N GLY A 107 -0.041 12.356 5.833 1.00 0.43 N ATOM 1496 CA GLY A 107 0.040 13.759 5.442 1.00 1.11 C ATOM 1497 C GLY A 107 0.908 13.910 4.203 1.00 31.33 C ATOM 1498 O GLY A 107 1.993 13.323 4.125 1.00 21.10 O ATOM 0 H GLY A 107 -0.535 11.780 5.151 1.00 0.43 H new ATOM 0 HA2 GLY A 107 -0.959 14.147 5.244 1.00 1.11 H new ATOM 0 HA3 GLY A 107 0.455 14.348 6.260 1.00 1.11 H new ATOM 1502 N SER A 108 0.427 14.700 3.244 1.00 35.40 N ATOM 1503 CA SER A 108 1.114 15.011 1.997 1.00 13.42 C ATOM 1504 C SER A 108 0.632 16.371 1.489 1.00 33.22 C ATOM 1505 O SER A 108 -0.494 16.781 1.787 1.00 51.22 O ATOM 1506 CB SER A 108 0.851 13.912 0.952 1.00 53.32 C ATOM 1507 OG SER A 108 -0.349 13.188 1.203 1.00 61.43 O ATOM 0 H SER A 108 -0.483 15.155 3.319 1.00 35.40 H new ATOM 0 HA SER A 108 2.189 15.054 2.171 1.00 13.42 H new ATOM 0 HB2 SER A 108 0.797 14.364 -0.038 1.00 53.32 H new ATOM 0 HB3 SER A 108 1.692 13.219 0.940 1.00 53.32 H new ATOM 0 HG SER A 108 -0.470 12.505 0.511 1.00 61.43 H new ATOM 1512 N LYS A 109 1.469 17.053 0.700 1.00 53.43 N ATOM 1513 CA LYS A 109 1.130 18.349 0.118 1.00 51.33 C ATOM 1514 C LYS A 109 -0.072 18.256 -0.822 1.00 62.24 C ATOM 1515 O LYS A 109 -0.409 17.197 -1.370 1.00 54.15 O ATOM 1516 CB LYS A 109 2.348 18.943 -0.621 1.00 52.31 C ATOM 1517 CG LYS A 109 3.328 19.631 0.342 1.00 44.12 C ATOM 1518 CD LYS A 109 4.557 20.190 -0.392 1.00 71.31 C ATOM 1519 CE LYS A 109 5.257 21.215 0.504 1.00 51.33 C ATOM 1520 NZ LYS A 109 6.517 21.733 -0.063 1.00 0.22 N ATOM 0 H LYS A 109 2.400 16.719 0.449 1.00 53.43 H new ATOM 0 HA LYS A 109 0.853 19.013 0.937 1.00 51.33 H new ATOM 0 HB2 LYS A 109 2.866 18.150 -1.160 1.00 52.31 H new ATOM 0 HB3 LYS A 109 2.005 19.663 -1.364 1.00 52.31 H new ATOM 0 HG2 LYS A 109 2.817 20.441 0.863 1.00 44.12 H new ATOM 0 HG3 LYS A 109 3.652 18.918 1.101 1.00 44.12 H new ATOM 0 HD2 LYS A 109 5.243 19.382 -0.645 1.00 71.31 H new ATOM 0 HD3 LYS A 109 4.254 20.656 -1.330 1.00 71.31 H new ATOM 0 HE2 LYS A 109 4.580 22.050 0.685 1.00 51.33 H new ATOM 0 HE3 LYS A 109 5.465 20.758 1.471 1.00 51.33 H new ATOM 0 HZ1 LYS A 109 6.937 22.421 0.595 1.00 0.22 H new ATOM 0 HZ2 LYS A 109 7.181 20.946 -0.211 1.00 0.22 H new ATOM 0 HZ3 LYS A 109 6.323 22.198 -0.973 1.00 0.22 H new ATOM 1530 N ARG A 110 -0.660 19.425 -1.066 1.00 11.52 N ATOM 1531 CA ARG A 110 -1.599 19.749 -2.130 1.00 31.03 C ATOM 1532 C ARG A 110 -1.114 21.059 -2.742 1.00 0.40 C ATOM 1533 O ARG A 110 -0.493 21.851 -2.028 1.00 40.52 O ATOM 1534 CB ARG A 110 -3.008 19.917 -1.530 1.00 41.23 C ATOM 1535 CG ARG A 110 -3.746 18.596 -1.291 1.00 23.30 C ATOM 1536 CD ARG A 110 -3.742 18.099 0.158 1.00 14.32 C ATOM 1537 NE ARG A 110 -4.419 16.793 0.235 1.00 2.53 N ATOM 1538 CZ ARG A 110 -5.742 16.572 0.223 1.00 74.05 C ATOM 1539 NH1 ARG A 110 -6.622 17.563 0.284 1.00 42.52 N ATOM 1540 NH2 ARG A 110 -6.191 15.330 0.121 1.00 44.43 N ATOM 0 H ARG A 110 -0.475 20.235 -0.474 1.00 11.52 H new ATOM 0 HA ARG A 110 -1.650 18.965 -2.886 1.00 31.03 H new ATOM 0 HB2 ARG A 110 -2.927 20.452 -0.584 1.00 41.23 H new ATOM 0 HB3 ARG A 110 -3.604 20.539 -2.198 1.00 41.23 H new ATOM 0 HG2 ARG A 110 -4.780 18.712 -1.615 1.00 23.30 H new ATOM 0 HG3 ARG A 110 -3.298 17.829 -1.923 1.00 23.30 H new ATOM 0 HD2 ARG A 110 -2.718 18.011 0.520 1.00 14.32 H new ATOM 0 HD3 ARG A 110 -4.246 18.820 0.802 1.00 14.32 H new ATOM 0 HE ARG A 110 -3.819 15.971 0.305 1.00 2.53 H new ATOM 0 HH11 ARG A 110 -6.299 18.529 0.342 1.00 42.52 H new ATOM 0 HH12 ARG A 110 -7.621 17.359 0.273 1.00 42.52 H new ATOM 0 HH21 ARG A 110 -5.533 14.554 0.053 1.00 44.43 H new ATOM 0 HH22 ARG A 110 -7.195 15.150 0.111 1.00 44.43 H new ATOM 1551 N ASP A 111 -1.398 21.329 -4.017 1.00 42.23 N ATOM 1552 CA ASP A 111 -1.067 22.600 -4.676 1.00 64.31 C ATOM 1553 C ASP A 111 -1.795 22.690 -6.018 1.00 4.41 C ATOM 1554 O ASP A 111 -1.360 22.064 -6.988 1.00 14.32 O ATOM 1555 CB ASP A 111 0.447 22.728 -4.915 1.00 63.04 C ATOM 1556 CG ASP A 111 0.824 24.191 -5.139 1.00 13.42 C ATOM 1557 OD1 ASP A 111 0.579 24.752 -6.233 1.00 2.32 O ATOM 1558 OD2 ASP A 111 1.400 24.785 -4.196 1.00 51.14 O ATOM 0 H ASP A 111 -1.870 20.665 -4.631 1.00 42.23 H new ATOM 0 HA ASP A 111 -1.385 23.411 -4.020 1.00 64.31 H new ATOM 0 HB2 ASP A 111 0.992 22.331 -4.059 1.00 63.04 H new ATOM 0 HB3 ASP A 111 0.737 22.133 -5.781 1.00 63.04 H new ATOM 1562 N MET A 112 -2.913 23.414 -6.093 1.00 44.35 N ATOM 1563 CA MET A 112 -3.703 23.637 -7.308 1.00 11.12 C ATOM 1564 C MET A 112 -4.863 24.574 -6.968 1.00 35.42 C ATOM 1565 O MET A 112 -4.970 25.002 -5.820 1.00 63.32 O ATOM 1566 CB MET A 112 -4.213 22.298 -7.893 1.00 55.12 C ATOM 1567 CG MET A 112 -3.556 22.010 -9.244 1.00 60.12 C ATOM 1568 SD MET A 112 -3.220 20.258 -9.535 1.00 13.41 S ATOM 1569 CE MET A 112 -1.476 20.410 -9.989 1.00 12.54 C ATOM 0 H MET A 112 -3.310 23.880 -5.277 1.00 44.35 H new ATOM 0 HA MET A 112 -3.078 24.097 -8.073 1.00 11.12 H new ATOM 0 HB2 MET A 112 -3.997 21.487 -7.198 1.00 55.12 H new ATOM 0 HB3 MET A 112 -5.296 22.337 -8.011 1.00 55.12 H new ATOM 0 HG2 MET A 112 -4.202 22.383 -10.038 1.00 60.12 H new ATOM 0 HG3 MET A 112 -2.620 22.565 -9.308 1.00 60.12 H new ATOM 0 HE1 MET A 112 -1.108 19.449 -10.347 1.00 12.54 H new ATOM 0 HE2 MET A 112 -1.369 21.156 -10.776 1.00 12.54 H new ATOM 0 HE3 MET A 112 -0.898 20.717 -9.117 1.00 12.54 H new ATOM 1577 N ALA A 113 -5.723 24.871 -7.947 1.00 33.13 N ATOM 1578 CA ALA A 113 -6.936 25.666 -7.785 1.00 35.54 C ATOM 1579 C ALA A 113 -8.151 24.915 -8.357 1.00 53.21 C ATOM 1580 O ALA A 113 -8.026 23.802 -8.889 1.00 2.15 O ATOM 1581 CB ALA A 113 -6.726 27.044 -8.431 1.00 24.55 C ATOM 0 H ALA A 113 -5.586 24.552 -8.906 1.00 33.13 H new ATOM 0 HA ALA A 113 -7.145 25.825 -6.727 1.00 35.54 H new ATOM 0 HB1 ALA A 113 -7.629 27.643 -8.313 1.00 24.55 H new ATOM 0 HB2 ALA A 113 -5.890 27.549 -7.947 1.00 24.55 H new ATOM 0 HB3 ALA A 113 -6.509 26.919 -9.492 1.00 24.55 H new ATOM 1587 N SER A 114 -9.340 25.509 -8.223 1.00 24.14 N ATOM 1588 CA SER A 114 -10.587 25.035 -8.810 1.00 12.24 C ATOM 1589 C SER A 114 -11.522 26.234 -8.986 1.00 20.33 C ATOM 1590 O SER A 114 -11.509 27.147 -8.155 1.00 44.21 O ATOM 1591 CB SER A 114 -11.188 23.956 -7.902 1.00 60.32 C ATOM 1592 OG SER A 114 -12.357 23.379 -8.442 1.00 61.40 O ATOM 0 H SER A 114 -9.460 26.365 -7.682 1.00 24.14 H new ATOM 0 HA SER A 114 -10.423 24.585 -9.789 1.00 12.24 H new ATOM 0 HB2 SER A 114 -10.447 23.175 -7.733 1.00 60.32 H new ATOM 0 HB3 SER A 114 -11.419 24.392 -6.930 1.00 60.32 H new ATOM 0 HG SER A 114 -12.699 22.697 -7.827 1.00 61.40 H new ATOM 1597 N ASN A 115 -12.306 26.219 -10.069 1.00 1.21 N ATOM 1598 CA ASN A 115 -13.111 27.332 -10.574 1.00 53.13 C ATOM 1599 C ASN A 115 -14.419 26.761 -11.147 1.00 44.42 C ATOM 1600 O ASN A 115 -14.768 27.021 -12.302 1.00 0.21 O ATOM 1601 CB ASN A 115 -12.325 28.090 -11.668 1.00 60.11 C ATOM 1602 CG ASN A 115 -11.199 28.979 -11.156 1.00 12.13 C ATOM 1603 OD1 ASN A 115 -10.230 28.503 -10.564 1.00 32.11 O ATOM 1604 ND2 ASN A 115 -11.284 30.280 -11.367 1.00 51.02 N ATOM 0 H ASN A 115 -12.400 25.384 -10.647 1.00 1.21 H new ATOM 0 HA ASN A 115 -13.338 28.033 -9.771 1.00 53.13 H new ATOM 0 HB2 ASN A 115 -11.905 27.362 -12.362 1.00 60.11 H new ATOM 0 HB3 ASN A 115 -13.024 28.705 -12.235 1.00 60.11 H new ATOM 0 HD21 ASN A 115 -10.543 30.899 -11.039 1.00 51.02 H new ATOM 0 HD22 ASN A 115 -12.091 30.665 -11.858 1.00 51.02 H new ATOM 1610 N GLU A 116 -15.115 25.899 -10.402 1.00 22.14 N ATOM 1611 CA GLU A 116 -16.296 25.181 -10.895 1.00 4.43 C ATOM 1612 C GLU A 116 -17.336 24.997 -9.785 1.00 23.22 C ATOM 1613 O GLU A 116 -17.061 25.289 -8.622 1.00 64.53 O ATOM 1614 CB GLU A 116 -15.873 23.840 -11.534 1.00 60.23 C ATOM 1615 CG GLU A 116 -15.077 22.944 -10.573 1.00 42.10 C ATOM 1616 CD GLU A 116 -14.694 21.581 -11.149 1.00 41.11 C ATOM 1617 OE1 GLU A 116 -14.405 21.442 -12.357 1.00 33.11 O ATOM 1618 OE2 GLU A 116 -14.591 20.611 -10.367 1.00 63.31 O ATOM 0 H GLU A 116 -14.875 25.678 -9.436 1.00 22.14 H new ATOM 0 HA GLU A 116 -16.775 25.779 -11.670 1.00 4.43 H new ATOM 0 HB2 GLU A 116 -16.763 23.306 -11.868 1.00 60.23 H new ATOM 0 HB3 GLU A 116 -15.270 24.040 -12.420 1.00 60.23 H new ATOM 0 HG2 GLU A 116 -14.168 23.468 -10.277 1.00 42.10 H new ATOM 0 HG3 GLU A 116 -15.665 22.790 -9.668 1.00 42.10 H new ATOM 1623 N GLY A 117 -18.525 24.496 -10.123 1.00 63.14 N ATOM 1624 CA GLY A 117 -19.436 23.931 -9.138 1.00 74.51 C ATOM 1625 C GLY A 117 -20.426 24.915 -8.514 1.00 2.04 C ATOM 1626 O GLY A 117 -20.919 24.636 -7.417 1.00 63.40 O ATOM 0 H GLY A 117 -18.878 24.472 -11.080 1.00 63.14 H new ATOM 0 HA2 GLY A 117 -20.000 23.126 -9.610 1.00 74.51 H new ATOM 0 HA3 GLY A 117 -18.846 23.481 -8.339 1.00 74.51 H new ATOM 1630 N SER A 118 -20.742 26.026 -9.178 1.00 74.41 N ATOM 1631 CA SER A 118 -21.733 27.014 -8.764 1.00 71.13 C ATOM 1632 C SER A 118 -23.136 26.388 -8.684 1.00 74.30 C ATOM 1633 O SER A 118 -23.832 26.284 -9.702 1.00 21.52 O ATOM 1634 CB SER A 118 -21.726 28.185 -9.761 1.00 34.11 C ATOM 1635 OG SER A 118 -20.411 28.595 -10.081 1.00 31.42 O ATOM 0 H SER A 118 -20.292 26.272 -10.060 1.00 74.41 H new ATOM 0 HA SER A 118 -21.475 27.378 -7.770 1.00 71.13 H new ATOM 0 HB2 SER A 118 -22.246 27.890 -10.672 1.00 34.11 H new ATOM 0 HB3 SER A 118 -22.276 29.026 -9.338 1.00 34.11 H new ATOM 0 HG SER A 118 -20.446 29.339 -10.718 1.00 31.42 H new ATOM 1640 N ARG A 119 -23.575 25.956 -7.492 1.00 52.42 N ATOM 1641 CA ARG A 119 -24.879 25.376 -7.245 1.00 33.53 C ATOM 1642 C ARG A 119 -25.005 25.331 -5.725 1.00 72.31 C ATOM 1643 O ARG A 119 -24.172 24.785 -5.008 1.00 43.12 O ATOM 1644 CB ARG A 119 -25.109 24.027 -7.962 1.00 35.35 C ATOM 1645 CG ARG A 119 -24.844 22.766 -7.148 1.00 24.53 C ATOM 1646 CD ARG A 119 -26.064 22.386 -6.303 1.00 32.42 C ATOM 1647 NE ARG A 119 -26.413 20.972 -6.461 1.00 32.45 N ATOM 1648 CZ ARG A 119 -25.978 19.968 -5.699 1.00 31.12 C ATOM 1649 NH1 ARG A 119 -25.048 20.151 -4.773 1.00 71.50 N ATOM 1650 NH2 ARG A 119 -26.508 18.764 -5.850 1.00 44.01 N ATOM 0 H ARG A 119 -23.001 26.009 -6.651 1.00 52.42 H new ATOM 0 HA ARG A 119 -25.679 25.977 -7.677 1.00 33.53 H new ATOM 0 HB2 ARG A 119 -26.142 23.998 -8.309 1.00 35.35 H new ATOM 0 HB3 ARG A 119 -24.475 24.000 -8.848 1.00 35.35 H new ATOM 0 HG2 ARG A 119 -24.592 21.944 -7.818 1.00 24.53 H new ATOM 0 HG3 ARG A 119 -23.983 22.923 -6.498 1.00 24.53 H new ATOM 0 HD2 ARG A 119 -25.859 22.595 -5.253 1.00 32.42 H new ATOM 0 HD3 ARG A 119 -26.914 23.005 -6.591 1.00 32.42 H new ATOM 0 HE ARG A 119 -27.047 20.734 -7.224 1.00 32.45 H new ATOM 0 HH11 ARG A 119 -24.647 21.078 -4.629 1.00 71.50 H new ATOM 0 HH12 ARG A 119 -24.733 19.365 -4.204 1.00 71.50 H new ATOM 0 HH21 ARG A 119 -27.241 18.613 -6.543 1.00 44.01 H new ATOM 0 HH22 ARG A 119 -26.184 17.988 -5.273 1.00 44.01 H new ATOM 1661 N ILE A 120 -25.973 26.065 -5.239 1.00 63.44 N ATOM 1662 CA ILE A 120 -26.597 25.898 -3.944 1.00 32.24 C ATOM 1663 C ILE A 120 -27.493 24.646 -3.984 1.00 2.15 C ATOM 1664 O ILE A 120 -28.100 24.362 -5.015 1.00 4.32 O ATOM 1665 CB ILE A 120 -27.368 27.207 -3.622 1.00 13.41 C ATOM 1666 CG1 ILE A 120 -28.114 26.999 -2.302 1.00 33.11 C ATOM 1667 CG2 ILE A 120 -28.339 27.682 -4.728 1.00 20.15 C ATOM 1668 CD1 ILE A 120 -28.405 28.284 -1.520 1.00 35.32 C ATOM 0 H ILE A 120 -26.373 26.842 -5.765 1.00 63.44 H new ATOM 0 HA ILE A 120 -25.873 25.735 -3.146 1.00 32.24 H new ATOM 0 HB ILE A 120 -26.631 28.007 -3.551 1.00 13.41 H new ATOM 0 HG12 ILE A 120 -29.058 26.495 -2.510 1.00 33.11 H new ATOM 0 HG13 ILE A 120 -27.528 26.331 -1.671 1.00 33.11 H new ATOM 0 HG21 ILE A 120 -28.830 28.602 -4.411 1.00 20.15 H new ATOM 0 HG22 ILE A 120 -27.782 27.866 -5.647 1.00 20.15 H new ATOM 0 HG23 ILE A 120 -29.091 26.913 -4.907 1.00 20.15 H new ATOM 0 HD11 ILE A 120 -28.936 28.038 -0.600 1.00 35.32 H new ATOM 0 HD12 ILE A 120 -27.467 28.782 -1.275 1.00 35.32 H new ATOM 0 HD13 ILE A 120 -29.020 28.948 -2.127 1.00 35.32 H new ATOM 1679 N SER A 121 -27.656 23.938 -2.867 1.00 11.44 N ATOM 1680 CA SER A 121 -28.575 22.823 -2.711 1.00 14.01 C ATOM 1681 C SER A 121 -29.094 22.734 -1.271 1.00 14.31 C ATOM 1682 O SER A 121 -28.477 23.244 -0.334 1.00 12.34 O ATOM 1683 CB SER A 121 -27.847 21.543 -3.128 1.00 42.14 C ATOM 1684 OG SER A 121 -26.617 21.334 -2.454 1.00 23.42 O ATOM 0 H SER A 121 -27.129 24.137 -2.017 1.00 11.44 H new ATOM 0 HA SER A 121 -29.449 22.967 -3.346 1.00 14.01 H new ATOM 0 HB2 SER A 121 -28.500 20.690 -2.944 1.00 42.14 H new ATOM 0 HB3 SER A 121 -27.660 21.576 -4.201 1.00 42.14 H new ATOM 0 HG SER A 121 -26.368 20.388 -2.513 1.00 23.42 H new ATOM 1689 N ALA A 122 -30.221 22.040 -1.089 1.00 23.21 N ATOM 1690 CA ALA A 122 -30.602 21.470 0.199 1.00 42.14 C ATOM 1691 C ALA A 122 -29.772 20.195 0.443 1.00 72.22 C ATOM 1692 O ALA A 122 -29.059 19.735 -0.457 1.00 64.34 O ATOM 1693 CB ALA A 122 -32.106 21.152 0.191 1.00 22.35 C ATOM 0 H ALA A 122 -30.894 21.859 -1.834 1.00 23.21 H new ATOM 0 HA ALA A 122 -30.405 22.179 1.003 1.00 42.14 H new ATOM 0 HB1 ALA A 122 -32.393 20.726 1.152 1.00 22.35 H new ATOM 0 HB2 ALA A 122 -32.671 22.068 0.017 1.00 22.35 H new ATOM 0 HB3 ALA A 122 -32.322 20.436 -0.602 1.00 22.35 H new ATOM 1699 N ALA A 123 -29.899 19.609 1.638 1.00 64.10 N ATOM 1700 CA ALA A 123 -29.145 18.428 2.033 1.00 4.23 C ATOM 1701 C ALA A 123 -30.092 17.396 2.635 1.00 22.55 C ATOM 1702 O ALA A 123 -30.635 16.577 1.890 1.00 13.24 O ATOM 1703 CB ALA A 123 -28.047 18.873 2.995 1.00 1.35 C ATOM 0 H ALA A 123 -30.535 19.948 2.360 1.00 64.10 H new ATOM 0 HA ALA A 123 -28.670 17.946 1.179 1.00 4.23 H new ATOM 0 HB1 ALA A 123 -27.465 18.007 3.308 1.00 1.35 H new ATOM 0 HB2 ALA A 123 -27.393 19.588 2.495 1.00 1.35 H new ATOM 0 HB3 ALA A 123 -28.498 19.343 3.869 1.00 1.35 H new ATOM 1709 N SER A 124 -30.377 17.483 3.930 1.00 12.32 N ATOM 1710 CA SER A 124 -31.387 16.678 4.588 1.00 40.41 C ATOM 1711 C SER A 124 -32.658 17.511 4.673 1.00 11.45 C ATOM 1712 O SER A 124 -32.603 18.739 4.752 1.00 41.21 O ATOM 1713 CB SER A 124 -30.843 16.225 5.956 1.00 64.11 C ATOM 1714 OG SER A 124 -31.782 15.449 6.686 1.00 20.33 O ATOM 0 H SER A 124 -29.900 18.129 4.559 1.00 12.32 H new ATOM 0 HA SER A 124 -31.629 15.769 4.037 1.00 40.41 H new ATOM 0 HB2 SER A 124 -29.934 15.643 5.807 1.00 64.11 H new ATOM 0 HB3 SER A 124 -30.568 17.102 6.542 1.00 64.11 H new ATOM 0 HG SER A 124 -31.391 15.184 7.545 1.00 20.33 H new ATOM 1719 N VAL A 125 -33.796 16.827 4.710 1.00 35.41 N ATOM 1720 CA VAL A 125 -35.115 17.377 4.942 1.00 24.42 C ATOM 1721 C VAL A 125 -35.838 16.306 5.760 1.00 23.52 C ATOM 1722 O VAL A 125 -35.974 15.167 5.304 1.00 54.20 O ATOM 1723 CB VAL A 125 -35.831 17.689 3.609 1.00 71.24 C ATOM 1724 CG1 VAL A 125 -37.242 18.253 3.864 1.00 21.24 C ATOM 1725 CG2 VAL A 125 -35.070 18.710 2.744 1.00 21.25 C ATOM 0 H VAL A 125 -33.818 15.817 4.570 1.00 35.41 H new ATOM 0 HA VAL A 125 -35.088 18.329 5.471 1.00 24.42 H new ATOM 0 HB VAL A 125 -35.879 16.740 3.074 1.00 71.24 H new ATOM 0 HG11 VAL A 125 -37.727 18.465 2.911 1.00 21.24 H new ATOM 0 HG12 VAL A 125 -37.832 17.521 4.416 1.00 21.24 H new ATOM 0 HG13 VAL A 125 -37.167 19.172 4.445 1.00 21.24 H new ATOM 0 HG21 VAL A 125 -35.622 18.888 1.821 1.00 21.25 H new ATOM 0 HG22 VAL A 125 -34.967 19.647 3.292 1.00 21.25 H new ATOM 0 HG23 VAL A 125 -34.081 18.319 2.505 1.00 21.25 H new ATOM 1735 N ALA A 126 -36.242 16.652 6.983 1.00 33.53 N ATOM 1736 CA ALA A 126 -37.110 15.851 7.834 1.00 1.02 C ATOM 1737 C ALA A 126 -38.275 16.745 8.245 1.00 33.14 C ATOM 1738 O ALA A 126 -38.103 17.964 8.347 1.00 52.10 O ATOM 1739 CB ALA A 126 -36.346 15.360 9.071 1.00 2.33 C ATOM 0 H ALA A 126 -35.961 17.530 7.420 1.00 33.53 H new ATOM 0 HA ALA A 126 -37.467 14.968 7.303 1.00 1.02 H new ATOM 0 HB1 ALA A 126 -37.010 14.763 9.696 1.00 2.33 H new ATOM 0 HB2 ALA A 126 -35.498 14.751 8.757 1.00 2.33 H new ATOM 0 HB3 ALA A 126 -35.986 16.217 9.640 1.00 2.33 H new ATOM 1745 N SER A 127 -39.454 16.175 8.484 1.00 62.51 N ATOM 1746 CA SER A 127 -40.623 16.944 8.915 1.00 3.21 C ATOM 1747 C SER A 127 -41.533 16.125 9.838 1.00 74.33 C ATOM 1748 O SER A 127 -42.734 16.376 9.896 1.00 53.21 O ATOM 1749 CB SER A 127 -41.365 17.505 7.692 1.00 71.44 C ATOM 1750 OG SER A 127 -40.487 18.244 6.858 1.00 43.41 O ATOM 0 H SER A 127 -39.627 15.175 8.386 1.00 62.51 H new ATOM 0 HA SER A 127 -40.284 17.791 9.511 1.00 3.21 H new ATOM 0 HB2 SER A 127 -41.808 16.687 7.125 1.00 71.44 H new ATOM 0 HB3 SER A 127 -42.184 18.145 8.021 1.00 71.44 H new ATOM 0 HG SER A 127 -40.982 18.589 6.086 1.00 43.41 H new ATOM 1755 N THR A 128 -40.983 15.144 10.556 1.00 35.11 N ATOM 1756 CA THR A 128 -41.727 14.349 11.522 1.00 74.10 C ATOM 1757 C THR A 128 -40.857 14.109 12.762 1.00 73.31 C ATOM 1758 O THR A 128 -39.673 14.459 12.781 1.00 15.45 O ATOM 1759 CB THR A 128 -42.241 13.070 10.833 1.00 3.44 C ATOM 1760 OG1 THR A 128 -43.206 12.428 11.640 1.00 43.31 O ATOM 1761 CG2 THR A 128 -41.135 12.062 10.512 1.00 73.32 C ATOM 0 H THR A 128 -40.001 14.881 10.479 1.00 35.11 H new ATOM 0 HA THR A 128 -42.613 14.873 11.881 1.00 74.10 H new ATOM 0 HB THR A 128 -42.676 13.400 9.890 1.00 3.44 H new ATOM 0 HG1 THR A 128 -43.524 11.619 11.188 1.00 43.31 H new ATOM 0 HG21 THR A 128 -41.569 11.187 10.029 1.00 73.32 H new ATOM 0 HG22 THR A 128 -40.407 12.522 9.844 1.00 73.32 H new ATOM 0 HG23 THR A 128 -40.640 11.759 11.435 1.00 73.32 H new ATOM 1769 N ALA A 129 -41.465 13.546 13.806 1.00 43.20 N ATOM 1770 CA ALA A 129 -40.812 13.216 15.064 1.00 33.41 C ATOM 1771 C ALA A 129 -39.983 11.927 14.937 1.00 72.21 C ATOM 1772 O ALA A 129 -39.935 11.288 13.878 1.00 0.35 O ATOM 1773 CB ALA A 129 -41.887 13.092 16.155 1.00 35.31 C ATOM 0 H ALA A 129 -42.455 13.301 13.795 1.00 43.20 H new ATOM 0 HA ALA A 129 -40.115 14.008 15.335 1.00 33.41 H new ATOM 0 HB1 ALA A 129 -41.414 12.845 17.105 1.00 35.31 H new ATOM 0 HB2 ALA A 129 -42.420 14.038 16.250 1.00 35.31 H new ATOM 0 HB3 ALA A 129 -42.591 12.305 15.884 1.00 35.31 H new ATOM 1779 N ILE A 130 -39.368 11.527 16.051 1.00 74.42 N ATOM 1780 CA ILE A 130 -38.808 10.198 16.243 1.00 14.13 C ATOM 1781 C ILE A 130 -39.680 9.425 17.235 1.00 51.13 C ATOM 1782 O ILE A 130 -40.472 10.015 17.971 1.00 14.13 O ATOM 1783 CB ILE A 130 -37.336 10.270 16.715 1.00 13.21 C ATOM 1784 CG1 ILE A 130 -37.150 10.998 18.068 1.00 54.01 C ATOM 1785 CG2 ILE A 130 -36.462 10.895 15.613 1.00 75.34 C ATOM 1786 CD1 ILE A 130 -35.834 10.625 18.761 1.00 22.45 C ATOM 0 H ILE A 130 -39.245 12.136 16.860 1.00 74.42 H new ATOM 0 HA ILE A 130 -38.804 9.670 15.290 1.00 14.13 H new ATOM 0 HB ILE A 130 -37.011 9.245 16.896 1.00 13.21 H new ATOM 0 HG12 ILE A 130 -37.177 12.075 17.904 1.00 54.01 H new ATOM 0 HG13 ILE A 130 -37.985 10.754 18.725 1.00 54.01 H new ATOM 0 HG21 ILE A 130 -35.427 10.942 15.952 1.00 75.34 H new ATOM 0 HG22 ILE A 130 -36.521 10.284 14.712 1.00 75.34 H new ATOM 0 HG23 ILE A 130 -36.818 11.901 15.393 1.00 75.34 H new ATOM 0 HD11 ILE A 130 -35.755 11.164 19.705 1.00 22.45 H new ATOM 0 HD12 ILE A 130 -35.815 9.552 18.953 1.00 22.45 H new ATOM 0 HD13 ILE A 130 -34.996 10.894 18.118 1.00 22.45 H new ATOM 1797 N ALA A 131 -39.465 8.116 17.274 1.00 71.10 N ATOM 1798 CA ALA A 131 -39.677 7.216 18.394 1.00 73.33 C ATOM 1799 C ALA A 131 -38.458 6.296 18.405 1.00 14.15 C ATOM 1800 O ALA A 131 -37.692 6.313 17.408 1.00 4.13 O ATOM 1801 CB ALA A 131 -40.976 6.423 18.218 1.00 64.11 C ATOM 0 H ALA A 131 -39.110 7.620 16.457 1.00 71.10 H new ATOM 0 HA ALA A 131 -39.780 7.753 19.337 1.00 73.33 H new ATOM 0 HB1 ALA A 131 -41.113 5.756 19.069 1.00 64.11 H new ATOM 0 HB2 ALA A 131 -41.818 7.113 18.158 1.00 64.11 H new ATOM 0 HB3 ALA A 131 -40.922 5.836 17.301 1.00 64.11 H new TER 1807 ALA A 131