USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 957 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 83 ASN : amide:sc= -2.01 K(o=-0.74,f=-5.1!) USER MOD Set 1.2: A 103 THR OG1 : rot 110:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0611 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.62) USER MOD Single : A 14 ASN : amide:sc= -0.0343 X(o=-0.034,f=-0.028) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 19 GLN : amide:sc= -0.2 K(o=-0.2,f=-2.3!) USER MOD Single : A 20 MET CE :methyl 141:sc= -0.178 (180deg=-0.489) USER MOD Single : A 22 GLN : amide:sc= -2.01! C(o=-2!,f=-2.7!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 98:sc= 0.214 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc=-0.00181 (180deg=-0.00181) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.9) USER MOD Single : A 65 SER OG : rot -3:sc= 1.09 USER MOD Single : A 71 GLN : amide:sc= -4.58! C(o=-4.6!,f=-6.9!) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.095) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 78 GLN : amide:sc= -0.0667 K(o=-0.067,f=-2.6!) USER MOD Single : A 84 HIS : no HD1:sc= -0.0663 X(o=-0.066,f=-0.066) USER MOD Single : A 85 THR OG1 : rot 4:sc= 0.54 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.498 K(o=-0.5,f=-7.7!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -3.55 X(o=-3.5,f=-3.2!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 95 GLN : amide:sc= -0.742 K(o=-0.74,f=-10!) USER MOD Single : A 101 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.72) USER MOD Single : A 102 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.02) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.0146 K(o=-0.015,f=-0.53) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 123 SER OG : rot -4:sc= 1.18 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.163 -10.483 -23.552 1.00 0.00 N ATOM 2 CA GLY A 1 25.937 -11.093 -24.034 1.00 0.00 C ATOM 3 C GLY A 1 24.736 -10.729 -23.183 1.00 0.00 C ATOM 4 O GLY A 1 24.884 -10.195 -22.084 1.00 0.00 O ATOM 0 H1 GLY A 1 27.553 -9.859 -24.287 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.961 -9.926 -22.697 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.855 -11.226 -23.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.758 -10.779 -25.062 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.054 -12.177 -24.047 1.00 0.00 H new ATOM 8 N SER A 2 23.543 -11.017 -23.693 1.00 0.00 N ATOM 9 CA SER A 2 22.311 -10.712 -22.976 1.00 0.00 C ATOM 10 C SER A 2 21.480 -11.973 -22.761 1.00 0.00 C ATOM 11 O SER A 2 21.451 -12.863 -23.612 1.00 0.00 O ATOM 12 CB SER A 2 21.492 -9.673 -23.744 1.00 0.00 C ATOM 13 OG SER A 2 21.067 -10.183 -24.996 1.00 0.00 O ATOM 0 H SER A 2 23.404 -11.461 -24.600 1.00 0.00 H new ATOM 0 HA SER A 2 22.580 -10.304 -22.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.624 -9.381 -23.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.090 -8.775 -23.898 1.00 0.00 H new ATOM 0 HG SER A 2 20.544 -9.501 -25.467 1.00 0.00 H new ATOM 19 N SER A 3 20.806 -12.043 -21.618 1.00 0.00 N ATOM 20 CA SER A 3 19.977 -13.197 -21.289 1.00 0.00 C ATOM 21 C SER A 3 18.924 -13.435 -22.367 1.00 0.00 C ATOM 22 O SER A 3 18.760 -14.554 -22.853 1.00 0.00 O ATOM 23 CB SER A 3 19.297 -12.992 -19.933 1.00 0.00 C ATOM 24 OG SER A 3 18.503 -11.819 -19.933 1.00 0.00 O ATOM 0 H SER A 3 20.817 -11.315 -20.904 1.00 0.00 H new ATOM 0 HA SER A 3 20.622 -14.074 -21.236 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.675 -13.856 -19.700 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.053 -12.923 -19.150 1.00 0.00 H new ATOM 0 HG SER A 3 18.078 -11.712 -19.056 1.00 0.00 H new ATOM 30 N GLY A 4 18.214 -12.374 -22.738 1.00 0.00 N ATOM 31 CA GLY A 4 17.186 -12.488 -23.756 1.00 0.00 C ATOM 32 C GLY A 4 16.142 -11.395 -23.650 1.00 0.00 C ATOM 33 O GLY A 4 16.402 -10.331 -23.088 1.00 0.00 O ATOM 0 H GLY A 4 18.332 -11.437 -22.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.649 -12.449 -24.742 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.700 -13.460 -23.670 1.00 0.00 H new ATOM 37 N SER A 5 14.957 -11.656 -24.193 1.00 0.00 N ATOM 38 CA SER A 5 13.871 -10.683 -24.163 1.00 0.00 C ATOM 39 C SER A 5 13.614 -10.201 -22.738 1.00 0.00 C ATOM 40 O SER A 5 13.870 -10.920 -21.772 1.00 0.00 O ATOM 41 CB SER A 5 12.595 -11.294 -24.745 1.00 0.00 C ATOM 42 OG SER A 5 12.770 -11.640 -26.107 1.00 0.00 O ATOM 0 H SER A 5 14.725 -12.533 -24.659 1.00 0.00 H new ATOM 0 HA SER A 5 14.165 -9.827 -24.770 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.320 -12.181 -24.174 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.772 -10.585 -24.650 1.00 0.00 H new ATOM 0 HG SER A 5 11.941 -12.030 -26.455 1.00 0.00 H new ATOM 48 N SER A 6 13.106 -8.979 -22.617 1.00 0.00 N ATOM 49 CA SER A 6 12.817 -8.398 -21.311 1.00 0.00 C ATOM 50 C SER A 6 11.326 -8.111 -21.162 1.00 0.00 C ATOM 51 O SER A 6 10.744 -7.366 -21.949 1.00 0.00 O ATOM 52 CB SER A 6 13.618 -7.109 -21.114 1.00 0.00 C ATOM 53 OG SER A 6 14.951 -7.391 -20.726 1.00 0.00 O ATOM 0 H SER A 6 12.886 -8.372 -23.407 1.00 0.00 H new ATOM 0 HA SER A 6 13.109 -9.119 -20.547 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.619 -6.533 -22.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.138 -6.491 -20.355 1.00 0.00 H new ATOM 0 HG SER A 6 15.442 -6.551 -20.608 1.00 0.00 H new ATOM 59 N GLY A 7 10.714 -8.708 -20.144 1.00 0.00 N ATOM 60 CA GLY A 7 9.296 -8.506 -19.909 1.00 0.00 C ATOM 61 C GLY A 7 8.731 -9.483 -18.897 1.00 0.00 C ATOM 62 O GLY A 7 9.216 -10.608 -18.770 1.00 0.00 O ATOM 0 H GLY A 7 11.175 -9.328 -19.478 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.131 -7.488 -19.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.756 -8.610 -20.850 1.00 0.00 H new ATOM 66 N LEU A 8 7.703 -9.053 -18.173 1.00 0.00 N ATOM 67 CA LEU A 8 7.071 -9.898 -17.165 1.00 0.00 C ATOM 68 C LEU A 8 6.867 -11.315 -17.692 1.00 0.00 C ATOM 69 O LEU A 8 6.049 -11.545 -18.582 1.00 0.00 O ATOM 70 CB LEU A 8 5.729 -9.301 -16.739 1.00 0.00 C ATOM 71 CG LEU A 8 5.794 -7.968 -15.992 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.407 -7.354 -15.875 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.413 -8.158 -14.615 1.00 0.00 C ATOM 0 H LEU A 8 7.290 -8.125 -18.265 1.00 0.00 H new ATOM 0 HA LEU A 8 7.732 -9.944 -16.299 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.115 -9.166 -17.630 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.217 -10.025 -16.105 1.00 0.00 H new ATOM 0 HG LEU A 8 6.425 -7.285 -16.561 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.473 -6.406 -15.341 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.000 -7.181 -16.871 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.753 -8.034 -15.329 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.451 -7.199 -14.098 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.809 -8.858 -14.038 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.423 -8.553 -14.722 1.00 0.00 H new ATOM 85 N GLY A 9 7.614 -12.262 -17.134 1.00 0.00 N ATOM 86 CA GLY A 9 7.498 -13.645 -17.559 1.00 0.00 C ATOM 87 C GLY A 9 6.832 -14.519 -16.515 1.00 0.00 C ATOM 88 O GLY A 9 5.625 -14.426 -16.297 1.00 0.00 O ATOM 0 H GLY A 9 8.298 -12.097 -16.395 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.925 -13.690 -18.485 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.490 -14.039 -17.778 1.00 0.00 H new ATOM 92 N ASN A 10 7.621 -15.371 -15.868 1.00 0.00 N ATOM 93 CA ASN A 10 7.100 -16.267 -14.842 1.00 0.00 C ATOM 94 C ASN A 10 6.108 -15.541 -13.939 1.00 0.00 C ATOM 95 O ASN A 10 4.970 -15.978 -13.773 1.00 0.00 O ATOM 96 CB ASN A 10 8.246 -16.839 -14.005 1.00 0.00 C ATOM 97 CG ASN A 10 9.491 -17.099 -14.831 1.00 0.00 C ATOM 98 OD1 ASN A 10 10.371 -16.245 -14.933 1.00 0.00 O ATOM 99 ND2 ASN A 10 9.570 -18.284 -15.425 1.00 0.00 N ATOM 0 H ASN A 10 8.623 -15.460 -16.036 1.00 0.00 H new ATOM 0 HA ASN A 10 6.579 -17.085 -15.339 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.486 -16.145 -13.200 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.922 -17.769 -13.538 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.384 -18.516 -15.993 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.816 -18.962 -15.313 1.00 0.00 H new ATOM 106 N GLU A 11 6.549 -14.430 -13.358 1.00 0.00 N ATOM 107 CA GLU A 11 5.699 -13.643 -12.471 1.00 0.00 C ATOM 108 C GLU A 11 5.330 -12.309 -13.113 1.00 0.00 C ATOM 109 O GLU A 11 6.184 -11.619 -13.670 1.00 0.00 O ATOM 110 CB GLU A 11 6.405 -13.401 -11.135 1.00 0.00 C ATOM 111 CG GLU A 11 6.056 -14.426 -10.068 1.00 0.00 C ATOM 112 CD GLU A 11 7.192 -14.662 -9.092 1.00 0.00 C ATOM 113 OE1 GLU A 11 7.290 -13.906 -8.103 1.00 0.00 O ATOM 114 OE2 GLU A 11 7.984 -15.601 -9.318 1.00 0.00 O ATOM 0 H GLU A 11 7.489 -14.054 -13.485 1.00 0.00 H new ATOM 0 HA GLU A 11 4.783 -14.206 -12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.483 -13.410 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.145 -12.407 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.176 -14.090 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.792 -15.369 -10.548 1.00 0.00 H new ATOM 121 N ASP A 12 4.053 -11.953 -13.031 1.00 0.00 N ATOM 122 CA ASP A 12 3.570 -10.701 -13.603 1.00 0.00 C ATOM 123 C ASP A 12 2.969 -9.807 -12.523 1.00 0.00 C ATOM 124 O ASP A 12 2.415 -10.293 -11.537 1.00 0.00 O ATOM 125 CB ASP A 12 2.530 -10.980 -14.689 1.00 0.00 C ATOM 126 CG ASP A 12 1.125 -11.093 -14.130 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.634 -10.101 -13.553 1.00 0.00 O ATOM 128 OD2 ASP A 12 0.517 -12.175 -14.270 1.00 0.00 O ATOM 0 H ASP A 12 3.333 -12.513 -12.574 1.00 0.00 H new ATOM 0 HA ASP A 12 4.419 -10.182 -14.048 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.560 -10.181 -15.430 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.788 -11.904 -15.206 1.00 0.00 H new ATOM 133 N PHE A 13 3.083 -8.497 -12.716 1.00 0.00 N ATOM 134 CA PHE A 13 2.553 -7.534 -11.758 1.00 0.00 C ATOM 135 C PHE A 13 1.274 -8.058 -11.112 1.00 0.00 C ATOM 136 O PHE A 13 1.208 -8.238 -9.897 1.00 0.00 O ATOM 137 CB PHE A 13 2.280 -6.195 -12.446 1.00 0.00 C ATOM 138 CG PHE A 13 1.656 -5.172 -11.541 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.109 -5.009 -10.242 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.616 -4.373 -11.989 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.537 -4.068 -9.406 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.041 -3.430 -11.158 1.00 0.00 C ATOM 143 CZ PHE A 13 0.501 -3.279 -9.865 1.00 0.00 C ATOM 0 H PHE A 13 3.538 -8.078 -13.527 1.00 0.00 H new ATOM 0 HA PHE A 13 3.299 -7.387 -10.977 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.217 -5.799 -12.837 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.623 -6.362 -13.300 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.919 -5.624 -9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.251 -4.488 -12.999 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.900 -3.950 -8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.767 -2.812 -11.520 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.051 -2.545 -9.213 1.00 0.00 H new ATOM 153 N ASN A 14 0.258 -8.298 -11.935 1.00 0.00 N ATOM 154 CA ASN A 14 -1.020 -8.800 -11.445 1.00 0.00 C ATOM 155 C ASN A 14 -0.826 -10.063 -10.612 1.00 0.00 C ATOM 156 O ASN A 14 -1.501 -10.264 -9.602 1.00 0.00 O ATOM 157 CB ASN A 14 -1.962 -9.088 -12.616 1.00 0.00 C ATOM 158 CG ASN A 14 -2.235 -7.854 -13.455 1.00 0.00 C ATOM 159 OD1 ASN A 14 -3.035 -6.998 -13.077 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.571 -7.759 -14.600 1.00 0.00 N ATOM 0 H ASN A 14 0.295 -8.153 -12.944 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.463 -8.032 -10.811 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.527 -9.864 -13.246 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.904 -9.479 -12.233 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.714 -6.952 -15.207 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.917 -8.493 -14.873 1.00 0.00 H new ATOM 167 N SER A 15 0.102 -10.913 -11.042 1.00 0.00 N ATOM 168 CA SER A 15 0.383 -12.158 -10.339 1.00 0.00 C ATOM 169 C SER A 15 1.019 -11.883 -8.979 1.00 0.00 C ATOM 170 O SER A 15 0.509 -12.310 -7.944 1.00 0.00 O ATOM 171 CB SER A 15 1.307 -13.044 -11.176 1.00 0.00 C ATOM 172 OG SER A 15 1.146 -14.411 -10.840 1.00 0.00 O ATOM 0 H SER A 15 0.672 -10.761 -11.874 1.00 0.00 H new ATOM 0 HA SER A 15 -0.562 -12.678 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.093 -12.899 -12.235 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.343 -12.747 -11.016 1.00 0.00 H new ATOM 0 HG SER A 15 1.746 -14.956 -11.390 1.00 0.00 H new ATOM 178 N VAL A 16 2.138 -11.164 -8.991 1.00 0.00 N ATOM 179 CA VAL A 16 2.844 -10.830 -7.760 1.00 0.00 C ATOM 180 C VAL A 16 1.916 -10.148 -6.762 1.00 0.00 C ATOM 181 O VAL A 16 1.936 -10.457 -5.570 1.00 0.00 O ATOM 182 CB VAL A 16 4.048 -9.909 -8.037 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.636 -8.743 -8.922 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.648 -9.411 -6.731 1.00 0.00 C ATOM 0 H VAL A 16 2.574 -10.802 -9.839 1.00 0.00 H new ATOM 0 HA VAL A 16 3.202 -11.768 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 16 4.809 -10.483 -8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.499 -8.104 -9.107 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.256 -9.123 -9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.857 -8.166 -8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.497 -8.762 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.895 -8.852 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.982 -10.261 -6.136 1.00 0.00 H new ATOM 194 N ILE A 17 1.103 -9.221 -7.256 1.00 0.00 N ATOM 195 CA ILE A 17 0.165 -8.497 -6.406 1.00 0.00 C ATOM 196 C ILE A 17 -0.861 -9.442 -5.790 1.00 0.00 C ATOM 197 O ILE A 17 -1.089 -9.421 -4.581 1.00 0.00 O ATOM 198 CB ILE A 17 -0.573 -7.397 -7.193 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.396 -6.279 -7.580 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.728 -6.844 -6.372 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.048 -5.605 -6.393 1.00 0.00 C ATOM 0 H ILE A 17 1.074 -8.953 -8.240 1.00 0.00 H new ATOM 0 HA ILE A 17 0.751 -8.034 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.978 -7.833 -8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.172 -6.690 -8.226 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.140 -5.530 -8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.240 -6.068 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.428 -7.647 -6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.345 -6.420 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.722 -4.823 -6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.280 -5.164 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.613 -6.341 -5.821 1.00 0.00 H new ATOM 213 N GLN A 18 -1.475 -10.269 -6.630 1.00 0.00 N ATOM 214 CA GLN A 18 -2.476 -11.223 -6.166 1.00 0.00 C ATOM 215 C GLN A 18 -1.888 -12.163 -5.119 1.00 0.00 C ATOM 216 O GLN A 18 -2.581 -12.587 -4.195 1.00 0.00 O ATOM 217 CB GLN A 18 -3.025 -12.030 -7.344 1.00 0.00 C ATOM 218 CG GLN A 18 -4.056 -11.278 -8.169 1.00 0.00 C ATOM 219 CD GLN A 18 -5.177 -10.708 -7.324 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.553 -9.545 -7.473 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.719 -11.526 -6.429 1.00 0.00 N ATOM 0 H GLN A 18 -1.297 -10.298 -7.634 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.291 -10.663 -5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.197 -12.322 -7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.474 -12.949 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.564 -10.468 -8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.476 -11.949 -8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.377 -12.483 -6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.478 -11.198 -5.832 1.00 0.00 H new ATOM 230 N GLN A 19 -0.608 -12.484 -5.272 1.00 0.00 N ATOM 231 CA GLN A 19 0.072 -13.376 -4.339 1.00 0.00 C ATOM 232 C GLN A 19 0.303 -12.687 -2.998 1.00 0.00 C ATOM 233 O GLN A 19 0.173 -13.305 -1.942 1.00 0.00 O ATOM 234 CB GLN A 19 1.407 -13.839 -4.925 1.00 0.00 C ATOM 235 CG GLN A 19 1.260 -14.863 -6.039 1.00 0.00 C ATOM 236 CD GLN A 19 1.320 -16.290 -5.532 1.00 0.00 C ATOM 237 OE1 GLN A 19 1.619 -16.534 -4.362 1.00 0.00 O ATOM 238 NE2 GLN A 19 1.035 -17.243 -6.411 1.00 0.00 N ATOM 0 H GLN A 19 -0.021 -12.141 -6.032 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.566 -14.245 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.946 -12.973 -5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.015 -14.266 -4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.311 -14.703 -6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.049 -14.709 -6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.792 -16.996 -7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.059 -18.222 -6.127 1.00 0.00 H new ATOM 247 N MET A 20 0.646 -11.404 -3.049 1.00 0.00 N ATOM 248 CA MET A 20 0.894 -10.632 -1.837 1.00 0.00 C ATOM 249 C MET A 20 -0.410 -10.343 -1.100 1.00 0.00 C ATOM 250 O MET A 20 -0.448 -10.329 0.130 1.00 0.00 O ATOM 251 CB MET A 20 1.602 -9.319 -2.179 1.00 0.00 C ATOM 252 CG MET A 20 2.928 -9.513 -2.896 1.00 0.00 C ATOM 253 SD MET A 20 3.327 -8.144 -4.000 1.00 0.00 S ATOM 254 CE MET A 20 3.999 -6.957 -2.838 1.00 0.00 C ATOM 0 H MET A 20 0.758 -10.878 -3.915 1.00 0.00 H new ATOM 0 HA MET A 20 1.536 -11.224 -1.184 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.945 -8.714 -2.804 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.774 -8.758 -1.260 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.723 -9.623 -2.158 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.894 -10.439 -3.469 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.849 -6.446 -3.290 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.232 -6.227 -2.579 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.325 -7.475 -1.936 1.00 0.00 H new ATOM 264 N ALA A 21 -1.475 -10.113 -1.860 1.00 0.00 N ATOM 265 CA ALA A 21 -2.781 -9.826 -1.278 1.00 0.00 C ATOM 266 C ALA A 21 -3.319 -11.032 -0.516 1.00 0.00 C ATOM 267 O ALA A 21 -3.937 -10.886 0.538 1.00 0.00 O ATOM 268 CB ALA A 21 -3.761 -9.404 -2.363 1.00 0.00 C ATOM 0 H ALA A 21 -1.460 -10.120 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.664 -9.005 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.732 -9.193 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.389 -8.509 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.865 -10.208 -3.092 1.00 0.00 H new ATOM 274 N GLN A 22 -3.080 -12.223 -1.057 1.00 0.00 N ATOM 275 CA GLN A 22 -3.543 -13.454 -0.427 1.00 0.00 C ATOM 276 C GLN A 22 -5.066 -13.486 -0.349 1.00 0.00 C ATOM 277 O GLN A 22 -5.638 -13.802 0.693 1.00 0.00 O ATOM 278 CB GLN A 22 -2.946 -13.591 0.974 1.00 0.00 C ATOM 279 CG GLN A 22 -1.442 -13.375 1.019 1.00 0.00 C ATOM 280 CD GLN A 22 -0.662 -14.645 0.741 1.00 0.00 C ATOM 281 OE1 GLN A 22 -1.131 -15.749 1.021 1.00 0.00 O ATOM 282 NE2 GLN A 22 0.536 -14.495 0.188 1.00 0.00 N ATOM 0 H GLN A 22 -2.569 -12.361 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.211 -14.293 -1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.428 -12.872 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.174 -14.584 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.166 -12.616 0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.163 -12.989 2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.885 -13.561 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.107 -15.314 -0.022 1.00 0.00 H new ATOM 291 N GLY A 23 -5.718 -13.157 -1.461 1.00 0.00 N ATOM 292 CA GLY A 23 -7.169 -13.154 -1.497 1.00 0.00 C ATOM 293 C GLY A 23 -7.758 -11.839 -1.027 1.00 0.00 C ATOM 294 O GLY A 23 -8.824 -11.430 -1.486 1.00 0.00 O ATOM 0 H GLY A 23 -5.267 -12.893 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.504 -13.356 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.547 -13.962 -0.871 1.00 0.00 H new ATOM 298 N ARG A 24 -7.063 -11.176 -0.108 1.00 0.00 N ATOM 299 CA ARG A 24 -7.526 -9.901 0.426 1.00 0.00 C ATOM 300 C ARG A 24 -8.001 -8.982 -0.695 1.00 0.00 C ATOM 301 O ARG A 24 -7.429 -8.970 -1.785 1.00 0.00 O ATOM 302 CB ARG A 24 -6.408 -9.220 1.219 1.00 0.00 C ATOM 303 CG ARG A 24 -6.143 -9.862 2.571 1.00 0.00 C ATOM 304 CD ARG A 24 -4.965 -9.208 3.276 1.00 0.00 C ATOM 305 NE ARG A 24 -3.687 -9.763 2.836 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.527 -9.131 2.971 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.483 -7.930 3.530 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.406 -9.701 2.545 1.00 0.00 N ATOM 0 H ARG A 24 -6.178 -11.501 0.282 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.367 -10.098 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.491 -9.241 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.666 -8.172 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.033 -9.780 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.944 -10.925 2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.979 -8.135 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.067 -9.342 4.353 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.686 -10.686 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.342 -7.488 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.590 -7.447 3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.436 -10.625 2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.515 -9.215 2.649 1.00 0.00 H new ATOM 322 N GLN A 25 -9.050 -8.214 -0.420 1.00 0.00 N ATOM 323 CA GLN A 25 -9.602 -7.293 -1.406 1.00 0.00 C ATOM 324 C GLN A 25 -8.631 -6.151 -1.688 1.00 0.00 C ATOM 325 O GLN A 25 -8.318 -5.357 -0.800 1.00 0.00 O ATOM 326 CB GLN A 25 -10.940 -6.732 -0.919 1.00 0.00 C ATOM 327 CG GLN A 25 -11.454 -5.572 -1.756 1.00 0.00 C ATOM 328 CD GLN A 25 -12.760 -5.008 -1.232 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.556 -5.721 -0.621 1.00 0.00 O ATOM 330 NE2 GLN A 25 -12.987 -3.721 -1.468 1.00 0.00 N ATOM 0 H GLN A 25 -9.535 -8.211 0.477 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.763 -7.846 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.683 -7.530 -0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.832 -6.404 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.703 -4.782 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.593 -5.905 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.299 -3.167 -1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.849 -3.286 -1.139 1.00 0.00 H new ATOM 339 N ILE A 26 -8.159 -6.075 -2.927 1.00 0.00 N ATOM 340 CA ILE A 26 -7.224 -5.029 -3.325 1.00 0.00 C ATOM 341 C ILE A 26 -7.962 -3.754 -3.720 1.00 0.00 C ATOM 342 O ILE A 26 -9.048 -3.807 -4.296 1.00 0.00 O ATOM 343 CB ILE A 26 -6.340 -5.483 -4.502 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.560 -6.744 -4.126 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.390 -4.367 -4.911 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.912 -7.429 -5.308 1.00 0.00 C ATOM 0 H ILE A 26 -8.408 -6.725 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.590 -4.826 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.982 -5.717 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.789 -6.482 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.234 -7.446 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.772 -4.702 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.965 -3.493 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.751 -4.105 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.377 -8.315 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.680 -7.723 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.212 -6.744 -5.787 1.00 0.00 H new ATOM 358 N GLU A 27 -7.362 -2.609 -3.407 1.00 0.00 N ATOM 359 CA GLU A 27 -7.962 -1.320 -3.730 1.00 0.00 C ATOM 360 C GLU A 27 -6.907 -0.341 -4.237 1.00 0.00 C ATOM 361 O GLU A 27 -5.859 -0.164 -3.615 1.00 0.00 O ATOM 362 CB GLU A 27 -8.666 -0.738 -2.503 1.00 0.00 C ATOM 363 CG GLU A 27 -10.121 -1.161 -2.379 1.00 0.00 C ATOM 364 CD GLU A 27 -11.065 -0.221 -3.102 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.697 0.268 -4.191 1.00 0.00 O ATOM 366 OE2 GLU A 27 -12.172 0.027 -2.580 1.00 0.00 O ATOM 0 H GLU A 27 -6.462 -2.548 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.696 -1.478 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.129 -1.046 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.615 0.350 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.238 -2.168 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.394 -1.204 -1.325 1.00 0.00 H new ATOM 373 N TYR A 28 -7.191 0.292 -5.369 1.00 0.00 N ATOM 374 CA TYR A 28 -6.267 1.252 -5.962 1.00 0.00 C ATOM 375 C TYR A 28 -6.471 2.643 -5.369 1.00 0.00 C ATOM 376 O TYR A 28 -7.412 3.350 -5.729 1.00 0.00 O ATOM 377 CB TYR A 28 -6.451 1.299 -7.479 1.00 0.00 C ATOM 378 CG TYR A 28 -6.235 -0.034 -8.158 1.00 0.00 C ATOM 379 CD1 TYR A 28 -7.204 -1.029 -8.104 1.00 0.00 C ATOM 380 CD2 TYR A 28 -5.062 -0.300 -8.854 1.00 0.00 C ATOM 381 CE1 TYR A 28 -7.010 -2.249 -8.722 1.00 0.00 C ATOM 382 CE2 TYR A 28 -4.860 -1.517 -9.476 1.00 0.00 C ATOM 383 CZ TYR A 28 -5.837 -2.488 -9.407 1.00 0.00 C ATOM 384 OH TYR A 28 -5.641 -3.702 -10.025 1.00 0.00 O ATOM 0 H TYR A 28 -8.054 0.158 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.251 0.927 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.457 1.652 -7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.757 2.027 -7.898 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.124 -0.845 -7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.295 0.458 -8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.773 -3.012 -8.669 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.942 -1.707 -10.013 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.765 -3.708 -10.464 1.00 0.00 H new ATOM 394 N ILE A 29 -5.583 3.027 -4.459 1.00 0.00 N ATOM 395 CA ILE A 29 -5.663 4.334 -3.818 1.00 0.00 C ATOM 396 C ILE A 29 -4.801 5.358 -4.547 1.00 0.00 C ATOM 397 O ILE A 29 -3.573 5.278 -4.528 1.00 0.00 O ATOM 398 CB ILE A 29 -5.223 4.265 -2.343 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.888 3.077 -1.645 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.562 5.564 -1.629 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.368 3.271 -1.399 1.00 0.00 C ATOM 0 H ILE A 29 -4.800 2.452 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.707 4.644 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.143 4.125 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.743 2.183 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.390 2.901 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.245 5.500 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.046 6.392 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.638 5.732 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.773 2.390 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.520 4.146 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.879 3.417 -2.351 1.00 0.00 H new ATOM 413 N ASP A 30 -5.453 6.323 -5.188 1.00 0.00 N ATOM 414 CA ASP A 30 -4.747 7.366 -5.921 1.00 0.00 C ATOM 415 C ASP A 30 -4.657 8.646 -5.095 1.00 0.00 C ATOM 416 O ASP A 30 -5.676 9.227 -4.722 1.00 0.00 O ATOM 417 CB ASP A 30 -5.449 7.650 -7.250 1.00 0.00 C ATOM 418 CG ASP A 30 -6.851 8.195 -7.059 1.00 0.00 C ATOM 419 OD1 ASP A 30 -7.770 7.392 -6.796 1.00 0.00 O ATOM 420 OD2 ASP A 30 -7.028 9.426 -7.171 1.00 0.00 O ATOM 0 H ASP A 30 -6.469 6.404 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.735 7.013 -6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.859 8.365 -7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.496 6.732 -7.836 1.00 0.00 H new ATOM 425 N ILE A 31 -3.433 9.077 -4.813 1.00 0.00 N ATOM 426 CA ILE A 31 -3.211 10.287 -4.032 1.00 0.00 C ATOM 427 C ILE A 31 -2.516 11.360 -4.864 1.00 0.00 C ATOM 428 O ILE A 31 -1.523 11.089 -5.539 1.00 0.00 O ATOM 429 CB ILE A 31 -2.367 10.000 -2.776 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.115 9.051 -1.838 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.021 11.298 -2.062 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.232 8.426 -0.780 1.00 0.00 C ATOM 0 H ILE A 31 -2.580 8.606 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.193 10.648 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.438 9.519 -3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.922 9.597 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.577 8.259 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.424 11.078 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.452 11.942 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.939 11.805 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.829 7.765 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.440 7.852 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.790 9.210 -0.165 1.00 0.00 H new ATOM 444 N GLU A 32 -3.044 12.579 -4.809 1.00 0.00 N ATOM 445 CA GLU A 32 -2.473 13.692 -5.557 1.00 0.00 C ATOM 446 C GLU A 32 -1.462 14.457 -4.707 1.00 0.00 C ATOM 447 O GLU A 32 -1.831 15.326 -3.917 1.00 0.00 O ATOM 448 CB GLU A 32 -3.578 14.638 -6.030 1.00 0.00 C ATOM 449 CG GLU A 32 -4.140 14.283 -7.396 1.00 0.00 C ATOM 450 CD GLU A 32 -5.261 15.210 -7.825 1.00 0.00 C ATOM 451 OE1 GLU A 32 -4.974 16.384 -8.138 1.00 0.00 O ATOM 452 OE2 GLU A 32 -6.426 14.761 -7.847 1.00 0.00 O ATOM 0 H GLU A 32 -3.866 12.820 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.957 13.285 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.388 14.631 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.186 15.655 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.340 14.321 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.509 13.257 -7.378 1.00 0.00 H new ATOM 459 N ARG A 33 -0.186 14.127 -4.876 1.00 0.00 N ATOM 460 CA ARG A 33 0.878 14.781 -4.124 1.00 0.00 C ATOM 461 C ARG A 33 0.669 16.292 -4.088 1.00 0.00 C ATOM 462 O ARG A 33 0.541 16.950 -5.121 1.00 0.00 O ATOM 463 CB ARG A 33 2.241 14.458 -4.741 1.00 0.00 C ATOM 464 CG ARG A 33 2.860 13.175 -4.212 1.00 0.00 C ATOM 465 CD ARG A 33 3.729 13.438 -2.992 1.00 0.00 C ATOM 466 NE ARG A 33 4.740 14.460 -3.249 1.00 0.00 N ATOM 467 CZ ARG A 33 5.445 15.053 -2.293 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.251 14.727 -1.022 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.348 15.974 -2.607 1.00 0.00 N ATOM 0 H ARG A 33 0.136 13.411 -5.527 1.00 0.00 H new ATOM 0 HA ARG A 33 0.851 14.403 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.131 14.379 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.923 15.286 -4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.071 12.469 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.460 12.710 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.099 13.752 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.218 12.512 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 33 4.914 14.733 -4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.559 14.019 -0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.794 15.184 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.501 16.227 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.889 16.429 -1.872 1.00 0.00 H new ATOM 483 N PRO A 34 0.633 16.856 -2.872 1.00 0.00 N ATOM 484 CA PRO A 34 0.440 18.295 -2.672 1.00 0.00 C ATOM 485 C PRO A 34 1.648 19.110 -3.122 1.00 0.00 C ATOM 486 O PRO A 34 2.610 18.565 -3.661 1.00 0.00 O ATOM 487 CB PRO A 34 0.244 18.420 -1.159 1.00 0.00 C ATOM 488 CG PRO A 34 0.941 17.234 -0.587 1.00 0.00 C ATOM 489 CD PRO A 34 0.779 16.132 -1.598 1.00 0.00 C ATOM 0 HA PRO A 34 -0.396 18.679 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.669 19.350 -0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.814 18.423 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.995 17.449 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.507 16.951 0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.643 15.468 -1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.094 15.515 -1.384 1.00 0.00 H new ATOM 497 N SER A 35 1.590 20.419 -2.896 1.00 0.00 N ATOM 498 CA SER A 35 2.678 21.310 -3.281 1.00 0.00 C ATOM 499 C SER A 35 3.575 21.620 -2.086 1.00 0.00 C ATOM 500 O SER A 35 4.778 21.356 -2.112 1.00 0.00 O ATOM 501 CB SER A 35 2.120 22.609 -3.864 1.00 0.00 C ATOM 502 OG SER A 35 1.378 22.360 -5.046 1.00 0.00 O ATOM 0 H SER A 35 0.801 20.886 -2.448 1.00 0.00 H new ATOM 0 HA SER A 35 3.275 20.806 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.483 23.098 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.939 23.295 -4.082 1.00 0.00 H new ATOM 0 HG SER A 35 1.030 23.206 -5.398 1.00 0.00 H new ATOM 508 N THR A 36 2.981 22.182 -1.038 1.00 0.00 N ATOM 509 CA THR A 36 3.724 22.530 0.166 1.00 0.00 C ATOM 510 C THR A 36 3.624 21.426 1.213 1.00 0.00 C ATOM 511 O THR A 36 4.477 21.311 2.092 1.00 0.00 O ATOM 512 CB THR A 36 3.217 23.849 0.778 1.00 0.00 C ATOM 513 OG1 THR A 36 1.827 23.735 1.106 1.00 0.00 O ATOM 514 CG2 THR A 36 3.421 25.008 -0.186 1.00 0.00 C ATOM 0 H THR A 36 1.987 22.406 -0.999 1.00 0.00 H new ATOM 0 HA THR A 36 4.766 22.652 -0.131 1.00 0.00 H new ATOM 0 HB THR A 36 3.790 24.046 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.513 24.577 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.055 25.928 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.482 25.112 -0.411 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.872 24.816 -1.108 1.00 0.00 H new ATOM 522 N GLY A 37 2.576 20.614 1.111 1.00 0.00 N ATOM 523 CA GLY A 37 2.384 19.529 2.055 1.00 0.00 C ATOM 524 C GLY A 37 2.973 18.222 1.563 1.00 0.00 C ATOM 525 O GLY A 37 3.968 18.215 0.839 1.00 0.00 O ATOM 0 H GLY A 37 1.857 20.688 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.842 19.795 3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.318 19.397 2.240 1.00 0.00 H new ATOM 529 N GLY A 38 2.359 17.111 1.960 1.00 0.00 N ATOM 530 CA GLY A 38 2.844 15.807 1.547 1.00 0.00 C ATOM 531 C GLY A 38 1.753 14.756 1.545 1.00 0.00 C ATOM 532 O GLY A 38 0.566 15.082 1.500 1.00 0.00 O ATOM 0 H GLY A 38 1.535 17.091 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.273 15.882 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.646 15.493 2.215 1.00 0.00 H new ATOM 536 N LEU A 39 2.153 13.490 1.594 1.00 0.00 N ATOM 537 CA LEU A 39 1.199 12.386 1.596 1.00 0.00 C ATOM 538 C LEU A 39 0.249 12.489 2.785 1.00 0.00 C ATOM 539 O LEU A 39 -0.845 11.928 2.770 1.00 0.00 O ATOM 540 CB LEU A 39 1.939 11.047 1.635 1.00 0.00 C ATOM 541 CG LEU A 39 3.337 11.035 1.016 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.875 9.615 0.940 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.315 11.673 -0.365 1.00 0.00 C ATOM 0 H LEU A 39 3.131 13.202 1.633 1.00 0.00 H new ATOM 0 HA LEU A 39 0.612 12.444 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.021 10.730 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.330 10.303 1.122 1.00 0.00 H new ATOM 0 HG LEU A 39 4.000 11.620 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.871 9.626 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.929 9.192 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.211 9.007 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.319 11.655 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.637 11.116 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.973 12.705 -0.284 1.00 0.00 H new ATOM 555 N GLY A 40 0.676 13.213 3.816 1.00 0.00 N ATOM 556 CA GLY A 40 -0.149 13.379 4.998 1.00 0.00 C ATOM 557 C GLY A 40 -0.435 12.064 5.695 1.00 0.00 C ATOM 558 O GLY A 40 -1.307 11.988 6.561 1.00 0.00 O ATOM 0 H GLY A 40 1.578 13.687 3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.350 14.054 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.091 13.850 4.717 1.00 0.00 H new ATOM 562 N PHE A 41 0.300 11.024 5.316 1.00 0.00 N ATOM 563 CA PHE A 41 0.119 9.704 5.909 1.00 0.00 C ATOM 564 C PHE A 41 1.461 8.999 6.087 1.00 0.00 C ATOM 565 O PHE A 41 2.277 8.953 5.167 1.00 0.00 O ATOM 566 CB PHE A 41 -0.805 8.852 5.037 1.00 0.00 C ATOM 567 CG PHE A 41 -0.128 8.285 3.821 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.774 7.240 3.939 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.395 8.797 2.562 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.399 6.718 2.822 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.227 8.279 1.441 1.00 0.00 C ATOM 572 CZ PHE A 41 1.124 7.237 1.572 1.00 0.00 C ATOM 0 H PHE A 41 1.026 11.069 4.601 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.337 9.834 6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.204 8.033 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.654 9.458 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.991 6.829 4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.097 9.610 2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.102 5.905 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.012 8.688 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.610 6.829 0.698 1.00 0.00 H new ATOM 582 N SER A 42 1.682 8.452 7.278 1.00 0.00 N ATOM 583 CA SER A 42 2.926 7.753 7.580 1.00 0.00 C ATOM 584 C SER A 42 2.806 6.267 7.257 1.00 0.00 C ATOM 585 O SER A 42 1.725 5.775 6.934 1.00 0.00 O ATOM 586 CB SER A 42 3.295 7.939 9.053 1.00 0.00 C ATOM 587 OG SER A 42 3.987 9.159 9.256 1.00 0.00 O ATOM 0 H SER A 42 1.016 8.479 8.050 1.00 0.00 H new ATOM 0 HA SER A 42 3.714 8.179 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.391 7.924 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.916 7.106 9.384 1.00 0.00 H new ATOM 0 HG SER A 42 4.210 9.255 10.206 1.00 0.00 H new ATOM 593 N VAL A 43 3.926 5.556 7.347 1.00 0.00 N ATOM 594 CA VAL A 43 3.948 4.126 7.066 1.00 0.00 C ATOM 595 C VAL A 43 4.858 3.388 8.042 1.00 0.00 C ATOM 596 O VAL A 43 5.766 3.978 8.628 1.00 0.00 O ATOM 597 CB VAL A 43 4.421 3.844 5.628 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.339 4.217 4.627 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.712 4.595 5.335 1.00 0.00 C ATOM 0 H VAL A 43 4.830 5.948 7.612 1.00 0.00 H new ATOM 0 HA VAL A 43 2.926 3.765 7.182 1.00 0.00 H new ATOM 0 HB VAL A 43 4.619 2.776 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.692 4.011 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.442 3.630 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.107 5.278 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.032 4.384 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.544 5.666 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.486 4.273 6.032 1.00 0.00 H new ATOM 609 N VAL A 44 4.608 2.094 8.213 1.00 0.00 N ATOM 610 CA VAL A 44 5.405 1.274 9.117 1.00 0.00 C ATOM 611 C VAL A 44 6.026 0.091 8.383 1.00 0.00 C ATOM 612 O VAL A 44 5.387 -0.530 7.534 1.00 0.00 O ATOM 613 CB VAL A 44 4.559 0.748 10.291 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.333 1.846 11.320 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.233 0.197 9.788 1.00 0.00 C ATOM 0 H VAL A 44 3.859 1.591 7.737 1.00 0.00 H new ATOM 0 HA VAL A 44 6.197 1.913 9.507 1.00 0.00 H new ATOM 0 HB VAL A 44 5.104 -0.063 10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.733 1.456 12.142 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.294 2.189 11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.810 2.680 10.853 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.648 -0.170 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.680 0.987 9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.419 -0.621 9.092 1.00 0.00 H new ATOM 625 N ALA A 45 7.275 -0.216 8.716 1.00 0.00 N ATOM 626 CA ALA A 45 7.982 -1.327 8.091 1.00 0.00 C ATOM 627 C ALA A 45 7.980 -2.557 8.992 1.00 0.00 C ATOM 628 O ALA A 45 8.458 -2.509 10.126 1.00 0.00 O ATOM 629 CB ALA A 45 9.409 -0.921 7.752 1.00 0.00 C ATOM 0 H ALA A 45 7.819 0.289 9.416 1.00 0.00 H new ATOM 0 HA ALA A 45 7.460 -1.584 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.925 -1.760 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.393 -0.077 7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.932 -0.635 8.664 1.00 0.00 H new ATOM 635 N LEU A 46 7.439 -3.657 8.482 1.00 0.00 N ATOM 636 CA LEU A 46 7.374 -4.901 9.242 1.00 0.00 C ATOM 637 C LEU A 46 7.683 -6.100 8.351 1.00 0.00 C ATOM 638 O LEU A 46 6.917 -6.426 7.444 1.00 0.00 O ATOM 639 CB LEU A 46 5.990 -5.064 9.874 1.00 0.00 C ATOM 640 CG LEU A 46 5.464 -3.860 10.657 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.944 -3.842 10.651 1.00 0.00 C ATOM 642 CD2 LEU A 46 5.994 -3.878 12.083 1.00 0.00 C ATOM 0 H LEU A 46 7.039 -3.714 7.546 1.00 0.00 H new ATOM 0 HA LEU A 46 8.124 -4.855 10.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.277 -5.298 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.017 -5.924 10.543 1.00 0.00 H new ATOM 0 HG LEU A 46 5.819 -2.951 10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.588 -2.978 11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.585 -3.780 9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.567 -4.755 11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.609 -3.014 12.625 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.670 -4.792 12.580 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.083 -3.841 12.067 1.00 0.00 H new ATOM 654 N ARG A 47 8.808 -6.755 8.618 1.00 0.00 N ATOM 655 CA ARG A 47 9.217 -7.919 7.842 1.00 0.00 C ATOM 656 C ARG A 47 8.150 -9.008 7.892 1.00 0.00 C ATOM 657 O ARG A 47 7.565 -9.270 8.942 1.00 0.00 O ATOM 658 CB ARG A 47 10.546 -8.467 8.366 1.00 0.00 C ATOM 659 CG ARG A 47 10.988 -9.750 7.682 1.00 0.00 C ATOM 660 CD ARG A 47 12.495 -9.935 7.766 1.00 0.00 C ATOM 661 NE ARG A 47 12.963 -9.997 9.148 1.00 0.00 N ATOM 662 CZ ARG A 47 14.246 -9.969 9.491 1.00 0.00 C ATOM 663 NH1 ARG A 47 15.184 -9.882 8.558 1.00 0.00 N ATOM 664 NH2 ARG A 47 14.593 -10.029 10.770 1.00 0.00 N ATOM 0 H ARG A 47 9.452 -6.499 9.366 1.00 0.00 H new ATOM 0 HA ARG A 47 9.344 -7.607 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.319 -7.710 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.457 -8.648 9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.489 -10.601 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.680 -9.731 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.777 -10.851 7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.990 -9.111 7.252 1.00 0.00 H new ATOM 0 HE ARG A 47 12.267 -10.066 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.921 -9.836 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.168 -9.861 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.874 -10.097 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.578 -10.007 11.033 1.00 0.00 H new ATOM 678 N SER A 48 7.902 -9.639 6.748 1.00 0.00 N ATOM 679 CA SER A 48 6.903 -10.697 6.660 1.00 0.00 C ATOM 680 C SER A 48 7.496 -12.041 7.071 1.00 0.00 C ATOM 681 O SER A 48 8.715 -12.199 7.134 1.00 0.00 O ATOM 682 CB SER A 48 6.347 -10.786 5.238 1.00 0.00 C ATOM 683 OG SER A 48 5.043 -11.340 5.233 1.00 0.00 O ATOM 0 H SER A 48 8.379 -9.436 5.870 1.00 0.00 H new ATOM 0 HA SER A 48 6.091 -10.453 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.325 -9.792 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.008 -11.398 4.624 1.00 0.00 H new ATOM 0 HG SER A 48 4.381 -10.618 5.195 1.00 0.00 H new ATOM 689 N GLN A 49 6.625 -13.006 7.350 1.00 0.00 N ATOM 690 CA GLN A 49 7.063 -14.336 7.756 1.00 0.00 C ATOM 691 C GLN A 49 7.409 -15.190 6.540 1.00 0.00 C ATOM 692 O GLN A 49 8.210 -16.119 6.630 1.00 0.00 O ATOM 693 CB GLN A 49 5.976 -15.023 8.584 1.00 0.00 C ATOM 694 CG GLN A 49 5.818 -14.444 9.980 1.00 0.00 C ATOM 695 CD GLN A 49 4.827 -15.221 10.826 1.00 0.00 C ATOM 696 OE1 GLN A 49 4.511 -16.374 10.530 1.00 0.00 O ATOM 697 NE2 GLN A 49 4.332 -14.592 11.885 1.00 0.00 N ATOM 0 H GLN A 49 5.613 -12.891 7.302 1.00 0.00 H new ATOM 0 HA GLN A 49 7.959 -14.226 8.366 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.025 -14.944 8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.209 -16.085 8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.788 -14.437 10.478 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.491 -13.407 9.904 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.622 -13.636 12.092 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.661 -15.064 12.491 1.00 0.00 H new ATOM 706 N ASN A 50 6.798 -14.868 5.404 1.00 0.00 N ATOM 707 CA ASN A 50 7.041 -15.606 4.170 1.00 0.00 C ATOM 708 C ASN A 50 8.537 -15.734 3.898 1.00 0.00 C ATOM 709 O ASN A 50 9.093 -16.833 3.934 1.00 0.00 O ATOM 710 CB ASN A 50 6.355 -14.911 2.992 1.00 0.00 C ATOM 711 CG ASN A 50 4.878 -15.246 2.904 1.00 0.00 C ATOM 712 OD1 ASN A 50 4.151 -15.160 3.893 1.00 0.00 O ATOM 713 ND2 ASN A 50 4.429 -15.631 1.715 1.00 0.00 N ATOM 0 H ASN A 50 6.131 -14.101 5.313 1.00 0.00 H new ATOM 0 HA ASN A 50 6.624 -16.606 4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.475 -13.832 3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.847 -15.203 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.445 -15.870 1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.068 -15.688 0.922 1.00 0.00 H new ATOM 720 N LEU A 51 9.182 -14.605 3.627 1.00 0.00 N ATOM 721 CA LEU A 51 10.614 -14.590 3.349 1.00 0.00 C ATOM 722 C LEU A 51 11.136 -13.160 3.257 1.00 0.00 C ATOM 723 O LEU A 51 10.400 -12.203 3.496 1.00 0.00 O ATOM 724 CB LEU A 51 10.909 -15.339 2.048 1.00 0.00 C ATOM 725 CG LEU A 51 10.565 -14.598 0.755 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.273 -13.812 0.919 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.705 -13.677 0.348 1.00 0.00 C ATOM 0 H LEU A 51 8.736 -13.688 3.594 1.00 0.00 H new ATOM 0 HA LEU A 51 11.124 -15.090 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.970 -15.589 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.359 -16.280 2.061 1.00 0.00 H new ATOM 0 HG LEU A 51 10.421 -15.334 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.044 -13.291 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.460 -14.496 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.389 -13.085 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.442 -13.158 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.882 -12.947 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.609 -14.265 0.188 1.00 0.00 H new ATOM 739 N GLY A 52 12.410 -13.022 2.904 1.00 0.00 N ATOM 740 CA GLY A 52 13.008 -11.705 2.784 1.00 0.00 C ATOM 741 C GLY A 52 12.082 -10.707 2.118 1.00 0.00 C ATOM 742 O GLY A 52 12.076 -10.573 0.894 1.00 0.00 O ATOM 0 H GLY A 52 13.039 -13.798 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.278 -11.340 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.931 -11.779 2.209 1.00 0.00 H new ATOM 746 N LYS A 53 11.295 -10.004 2.925 1.00 0.00 N ATOM 747 CA LYS A 53 10.359 -9.012 2.409 1.00 0.00 C ATOM 748 C LYS A 53 9.727 -8.216 3.546 1.00 0.00 C ATOM 749 O LYS A 53 9.532 -8.734 4.646 1.00 0.00 O ATOM 750 CB LYS A 53 9.267 -9.694 1.581 1.00 0.00 C ATOM 751 CG LYS A 53 8.152 -10.294 2.420 1.00 0.00 C ATOM 752 CD LYS A 53 6.991 -10.756 1.556 1.00 0.00 C ATOM 753 CE LYS A 53 6.204 -9.578 1.003 1.00 0.00 C ATOM 754 NZ LYS A 53 5.060 -10.022 0.160 1.00 0.00 N ATOM 0 H LYS A 53 11.287 -10.103 3.940 1.00 0.00 H new ATOM 0 HA LYS A 53 10.913 -8.323 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.840 -8.967 0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.719 -10.481 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.539 -11.137 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.800 -9.556 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.368 -11.362 0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.330 -11.393 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.833 -8.970 1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.866 -8.944 0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.549 -9.190 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.416 -10.581 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.415 -10.606 0.730 1.00 0.00 H new ATOM 768 N VAL A 54 9.407 -6.955 3.273 1.00 0.00 N ATOM 769 CA VAL A 54 8.794 -6.088 4.273 1.00 0.00 C ATOM 770 C VAL A 54 7.423 -5.605 3.815 1.00 0.00 C ATOM 771 O VAL A 54 7.237 -5.241 2.654 1.00 0.00 O ATOM 772 CB VAL A 54 9.682 -4.867 4.577 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.177 -4.133 5.810 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.131 -5.293 4.757 1.00 0.00 C ATOM 0 H VAL A 54 9.562 -6.511 2.368 1.00 0.00 H new ATOM 0 HA VAL A 54 8.682 -6.681 5.181 1.00 0.00 H new ATOM 0 HB VAL A 54 9.631 -4.183 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.817 -3.273 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.156 -3.793 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.196 -4.806 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.744 -4.417 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.203 -5.998 5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.486 -5.770 3.843 1.00 0.00 H new ATOM 784 N ASP A 55 6.465 -5.603 4.735 1.00 0.00 N ATOM 785 CA ASP A 55 5.109 -5.163 4.427 1.00 0.00 C ATOM 786 C ASP A 55 4.873 -3.740 4.925 1.00 0.00 C ATOM 787 O ASP A 55 4.850 -3.490 6.130 1.00 0.00 O ATOM 788 CB ASP A 55 4.086 -6.112 5.054 1.00 0.00 C ATOM 789 CG ASP A 55 4.069 -7.470 4.381 1.00 0.00 C ATOM 790 OD1 ASP A 55 3.758 -7.530 3.172 1.00 0.00 O ATOM 791 OD2 ASP A 55 4.366 -8.473 5.062 1.00 0.00 O ATOM 0 H ASP A 55 6.602 -5.901 5.701 1.00 0.00 H new ATOM 0 HA ASP A 55 4.987 -5.175 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.312 -6.237 6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.094 -5.666 4.990 1.00 0.00 H new ATOM 796 N ILE A 56 4.700 -2.813 3.989 1.00 0.00 N ATOM 797 CA ILE A 56 4.467 -1.416 4.334 1.00 0.00 C ATOM 798 C ILE A 56 2.984 -1.149 4.571 1.00 0.00 C ATOM 799 O ILE A 56 2.163 -1.299 3.666 1.00 0.00 O ATOM 800 CB ILE A 56 4.977 -0.471 3.230 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.375 -0.892 2.773 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.987 0.967 3.726 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.414 -0.829 3.872 1.00 0.00 C ATOM 0 H ILE A 56 4.717 -3.004 2.987 1.00 0.00 H new ATOM 0 HA ILE A 56 5.021 -1.221 5.252 1.00 0.00 H new ATOM 0 HB ILE A 56 4.302 -0.536 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.330 -1.909 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.688 -0.249 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.350 1.622 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.976 1.262 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.642 1.048 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.381 -1.141 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.487 0.192 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.123 -1.493 4.686 1.00 0.00 H new ATOM 815 N PHE A 57 2.649 -0.749 5.793 1.00 0.00 N ATOM 816 CA PHE A 57 1.265 -0.460 6.149 1.00 0.00 C ATOM 817 C PHE A 57 1.064 1.035 6.379 1.00 0.00 C ATOM 818 O PHE A 57 1.940 1.717 6.912 1.00 0.00 O ATOM 819 CB PHE A 57 0.865 -1.238 7.405 1.00 0.00 C ATOM 820 CG PHE A 57 1.065 -2.721 7.279 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.309 -3.288 7.505 1.00 0.00 C ATOM 822 CD2 PHE A 57 0.009 -3.549 6.934 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.496 -4.653 7.391 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.190 -4.914 6.818 1.00 0.00 C ATOM 825 CZ PHE A 57 1.435 -5.467 7.045 1.00 0.00 C ATOM 0 H PHE A 57 3.317 -0.618 6.553 1.00 0.00 H new ATOM 0 HA PHE A 57 0.630 -0.772 5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.447 -0.871 8.251 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.183 -1.038 7.628 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.143 -2.656 7.773 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.967 -3.123 6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.470 -5.082 7.572 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.642 -5.548 6.550 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.579 -6.533 6.952 1.00 0.00 H new ATOM 835 N VAL A 58 -0.097 1.540 5.973 1.00 0.00 N ATOM 836 CA VAL A 58 -0.415 2.954 6.134 1.00 0.00 C ATOM 837 C VAL A 58 -0.849 3.260 7.563 1.00 0.00 C ATOM 838 O VAL A 58 -1.928 2.856 7.997 1.00 0.00 O ATOM 839 CB VAL A 58 -1.529 3.393 5.166 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.849 4.868 5.353 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.129 3.104 3.727 1.00 0.00 C ATOM 0 H VAL A 58 -0.833 0.990 5.530 1.00 0.00 H new ATOM 0 HA VAL A 58 0.494 3.511 5.906 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.428 2.820 5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.638 5.160 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.182 5.041 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.956 5.462 5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.928 3.421 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.216 3.649 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.956 2.035 3.605 1.00 0.00 H new ATOM 851 N LYS A 59 0.000 3.977 8.292 1.00 0.00 N ATOM 852 CA LYS A 59 -0.295 4.340 9.673 1.00 0.00 C ATOM 853 C LYS A 59 -0.417 5.853 9.824 1.00 0.00 C ATOM 854 O LYS A 59 0.106 6.612 9.007 1.00 0.00 O ATOM 855 CB LYS A 59 0.797 3.811 10.606 1.00 0.00 C ATOM 856 CG LYS A 59 0.968 2.303 10.547 1.00 0.00 C ATOM 857 CD LYS A 59 0.075 1.601 11.557 1.00 0.00 C ATOM 858 CE LYS A 59 0.584 1.792 12.978 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.168 0.955 13.953 1.00 0.00 N ATOM 0 H LYS A 59 0.898 4.318 7.949 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.248 3.887 9.945 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.744 4.286 10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.561 4.102 11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.733 1.948 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.010 2.046 10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.941 1.989 11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.029 0.537 11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.643 1.538 13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.497 2.842 13.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.208 1.113 14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.175 1.215 13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.064 -0.049 13.702 1.00 0.00 H new ATOM 873 N ASP A 60 -1.108 6.285 10.873 1.00 0.00 N ATOM 874 CA ASP A 60 -1.296 7.708 11.131 1.00 0.00 C ATOM 875 C ASP A 60 -1.921 8.402 9.925 1.00 0.00 C ATOM 876 O ASP A 60 -1.397 9.399 9.428 1.00 0.00 O ATOM 877 CB ASP A 60 0.040 8.366 11.478 1.00 0.00 C ATOM 878 CG ASP A 60 -0.134 9.667 12.237 1.00 0.00 C ATOM 879 OD1 ASP A 60 -0.715 9.636 13.342 1.00 0.00 O ATOM 880 OD2 ASP A 60 0.310 10.716 11.725 1.00 0.00 O ATOM 0 H ASP A 60 -1.547 5.670 11.558 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.974 7.811 11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.636 7.677 12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.597 8.556 10.561 1.00 0.00 H new ATOM 885 N VAL A 61 -3.045 7.867 9.458 1.00 0.00 N ATOM 886 CA VAL A 61 -3.742 8.434 8.310 1.00 0.00 C ATOM 887 C VAL A 61 -4.466 9.721 8.688 1.00 0.00 C ATOM 888 O VAL A 61 -5.483 9.691 9.380 1.00 0.00 O ATOM 889 CB VAL A 61 -4.760 7.438 7.723 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.715 8.147 6.775 1.00 0.00 C ATOM 891 CG2 VAL A 61 -4.042 6.299 7.015 1.00 0.00 C ATOM 0 H VAL A 61 -3.492 7.042 9.857 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.985 8.654 7.557 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.344 7.017 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.427 7.428 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.254 8.925 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.150 8.597 5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.776 5.605 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.432 6.701 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.403 5.775 7.725 1.00 0.00 H new ATOM 901 N GLN A 62 -3.936 10.849 8.227 1.00 0.00 N ATOM 902 CA GLN A 62 -4.533 12.148 8.518 1.00 0.00 C ATOM 903 C GLN A 62 -5.978 12.203 8.033 1.00 0.00 C ATOM 904 O GLN A 62 -6.261 12.127 6.838 1.00 0.00 O ATOM 905 CB GLN A 62 -3.719 13.265 7.862 1.00 0.00 C ATOM 906 CG GLN A 62 -2.577 13.774 8.726 1.00 0.00 C ATOM 907 CD GLN A 62 -3.057 14.635 9.878 1.00 0.00 C ATOM 908 OE1 GLN A 62 -4.247 14.927 9.997 1.00 0.00 O ATOM 909 NE2 GLN A 62 -2.130 15.048 10.735 1.00 0.00 N ATOM 0 H GLN A 62 -3.095 10.890 7.651 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.526 12.290 9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.315 12.902 6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.383 14.096 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.018 12.925 9.120 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.888 14.351 8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.155 14.782 10.598 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.393 15.631 11.530 1.00 0.00 H new ATOM 918 N PRO A 63 -6.916 12.339 8.983 1.00 0.00 N ATOM 919 CA PRO A 63 -8.348 12.408 8.677 1.00 0.00 C ATOM 920 C PRO A 63 -8.729 13.707 7.976 1.00 0.00 C ATOM 921 O PRO A 63 -9.890 13.918 7.627 1.00 0.00 O ATOM 922 CB PRO A 63 -9.009 12.329 10.055 1.00 0.00 C ATOM 923 CG PRO A 63 -7.980 12.846 10.999 1.00 0.00 C ATOM 924 CD PRO A 63 -6.650 12.436 10.428 1.00 0.00 C ATOM 0 HA PRO A 63 -8.658 11.616 7.995 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.918 12.929 10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.292 11.305 10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.047 13.930 11.093 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.121 12.430 11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.875 13.171 10.646 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.312 11.485 10.839 1.00 0.00 H new ATOM 932 N GLY A 64 -7.743 14.576 7.773 1.00 0.00 N ATOM 933 CA GLY A 64 -7.996 15.845 7.115 1.00 0.00 C ATOM 934 C GLY A 64 -6.845 16.277 6.228 1.00 0.00 C ATOM 935 O GLY A 64 -6.165 17.261 6.519 1.00 0.00 O ATOM 0 H GLY A 64 -6.774 14.424 8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.903 15.766 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.178 16.612 7.868 1.00 0.00 H new ATOM 939 N SER A 65 -6.626 15.540 5.144 1.00 0.00 N ATOM 940 CA SER A 65 -5.546 15.850 4.215 1.00 0.00 C ATOM 941 C SER A 65 -5.684 15.037 2.931 1.00 0.00 C ATOM 942 O SER A 65 -6.512 14.130 2.843 1.00 0.00 O ATOM 943 CB SER A 65 -4.189 15.571 4.865 1.00 0.00 C ATOM 944 OG SER A 65 -3.906 16.517 5.882 1.00 0.00 O ATOM 0 H SER A 65 -7.182 14.724 4.888 1.00 0.00 H new ATOM 0 HA SER A 65 -5.609 16.909 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.184 14.566 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.406 15.602 4.107 1.00 0.00 H new ATOM 0 HG SER A 65 -4.627 17.180 5.922 1.00 0.00 H new ATOM 950 N VAL A 66 -4.866 15.370 1.937 1.00 0.00 N ATOM 951 CA VAL A 66 -4.895 14.671 0.658 1.00 0.00 C ATOM 952 C VAL A 66 -4.927 13.160 0.857 1.00 0.00 C ATOM 953 O VAL A 66 -5.374 12.418 -0.017 1.00 0.00 O ATOM 954 CB VAL A 66 -3.676 15.038 -0.210 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.407 14.435 0.372 1.00 0.00 C ATOM 956 CG2 VAL A 66 -3.886 14.578 -1.645 1.00 0.00 C ATOM 0 H VAL A 66 -4.176 16.119 1.993 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.804 14.986 0.146 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.566 16.122 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.556 14.704 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.251 14.818 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.503 13.350 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.015 14.845 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.021 13.497 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.772 15.062 -2.056 1.00 0.00 H new ATOM 966 N ALA A 67 -4.451 12.711 2.013 1.00 0.00 N ATOM 967 CA ALA A 67 -4.427 11.288 2.329 1.00 0.00 C ATOM 968 C ALA A 67 -5.825 10.685 2.247 1.00 0.00 C ATOM 969 O ALA A 67 -5.997 9.553 1.794 1.00 0.00 O ATOM 970 CB ALA A 67 -3.833 11.064 3.712 1.00 0.00 C ATOM 0 H ALA A 67 -4.076 13.312 2.747 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.800 10.787 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.821 9.997 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.814 11.451 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.437 11.583 4.456 1.00 0.00 H new ATOM 976 N ASP A 68 -6.820 11.446 2.689 1.00 0.00 N ATOM 977 CA ASP A 68 -8.204 10.986 2.665 1.00 0.00 C ATOM 978 C ASP A 68 -9.081 11.943 1.864 1.00 0.00 C ATOM 979 O ASP A 68 -9.697 11.554 0.872 1.00 0.00 O ATOM 980 CB ASP A 68 -8.743 10.851 4.090 1.00 0.00 C ATOM 981 CG ASP A 68 -9.980 9.977 4.160 1.00 0.00 C ATOM 982 OD1 ASP A 68 -10.907 10.196 3.353 1.00 0.00 O ATOM 983 OD2 ASP A 68 -10.022 9.076 5.024 1.00 0.00 O ATOM 0 H ASP A 68 -6.694 12.384 3.068 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.229 10.009 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.968 10.430 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.978 11.841 4.482 1.00 0.00 H new ATOM 988 N ARG A 69 -9.133 13.197 2.303 1.00 0.00 N ATOM 989 CA ARG A 69 -9.937 14.209 1.628 1.00 0.00 C ATOM 990 C ARG A 69 -9.878 14.031 0.114 1.00 0.00 C ATOM 991 O ARG A 69 -10.860 14.271 -0.588 1.00 0.00 O ATOM 992 CB ARG A 69 -9.454 15.610 2.007 1.00 0.00 C ATOM 993 CG ARG A 69 -8.274 16.092 1.179 1.00 0.00 C ATOM 994 CD ARG A 69 -7.833 17.486 1.596 1.00 0.00 C ATOM 995 NE ARG A 69 -8.754 18.516 1.124 1.00 0.00 N ATOM 996 CZ ARG A 69 -8.848 18.892 -0.146 1.00 0.00 C ATOM 997 NH1 ARG A 69 -8.080 18.326 -1.067 1.00 0.00 N ATOM 998 NH2 ARG A 69 -9.711 19.837 -0.498 1.00 0.00 N ATOM 0 H ARG A 69 -8.628 13.536 3.122 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.971 14.089 1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.279 16.313 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.174 15.616 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.442 15.397 1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.546 16.096 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.762 17.534 2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.836 17.684 1.202 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.358 18.972 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.415 17.600 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.154 18.617 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.303 20.275 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.782 20.125 -1.474 1.00 0.00 H new ATOM 1012 N ASP A 70 -8.720 13.608 -0.381 1.00 0.00 N ATOM 1013 CA ASP A 70 -8.532 13.397 -1.812 1.00 0.00 C ATOM 1014 C ASP A 70 -9.168 12.083 -2.255 1.00 0.00 C ATOM 1015 O ASP A 70 -10.155 12.078 -2.989 1.00 0.00 O ATOM 1016 CB ASP A 70 -7.042 13.399 -2.158 1.00 0.00 C ATOM 1017 CG ASP A 70 -6.781 13.818 -3.592 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -6.911 15.023 -3.891 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -6.446 12.940 -4.414 1.00 0.00 O ATOM 0 H ASP A 70 -7.898 13.405 0.187 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.021 14.214 -2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.516 14.075 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.632 12.402 -1.993 1.00 0.00 H new ATOM 1024 N GLN A 71 -8.593 10.972 -1.806 1.00 0.00 N ATOM 1025 CA GLN A 71 -9.104 9.653 -2.158 1.00 0.00 C ATOM 1026 C GLN A 71 -9.377 8.823 -0.908 1.00 0.00 C ATOM 1027 O GLN A 71 -8.901 9.147 0.180 1.00 0.00 O ATOM 1028 CB GLN A 71 -8.108 8.922 -3.061 1.00 0.00 C ATOM 1029 CG GLN A 71 -8.769 8.016 -4.088 1.00 0.00 C ATOM 1030 CD GLN A 71 -9.297 8.780 -5.286 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -8.906 9.922 -5.531 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -10.190 8.151 -6.043 1.00 0.00 N ATOM 0 H GLN A 71 -7.774 10.959 -1.198 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.043 9.787 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.493 9.657 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.438 8.326 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.049 7.270 -4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.590 7.476 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.486 7.205 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.579 8.614 -6.864 1.00 0.00 H new ATOM 1041 N ARG A 72 -10.148 7.753 -1.071 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.486 6.877 0.045 1.00 0.00 C ATOM 1043 C ARG A 72 -9.255 6.123 0.536 1.00 0.00 C ATOM 1044 O ARG A 72 -8.566 5.463 -0.243 1.00 0.00 O ATOM 1045 CB ARG A 72 -11.574 5.885 -0.370 1.00 0.00 C ATOM 1046 CG ARG A 72 -11.550 4.589 0.423 1.00 0.00 C ATOM 1047 CD ARG A 72 -11.959 4.813 1.871 1.00 0.00 C ATOM 1048 NE ARG A 72 -13.405 4.714 2.052 1.00 0.00 N ATOM 1049 CZ ARG A 72 -14.032 5.080 3.164 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -13.344 5.567 4.188 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -15.351 4.961 3.254 1.00 0.00 N ATOM 0 H ARG A 72 -10.551 7.472 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.860 7.496 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -12.549 6.357 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.460 5.655 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.223 3.866 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.549 4.159 0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.463 4.079 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.619 5.796 2.196 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.963 4.344 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.330 5.661 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.828 5.847 5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.884 4.588 2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.831 5.242 4.109 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.983 6.225 1.833 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.834 5.552 2.429 1.00 0.00 C ATOM 1067 C LEU A 73 -8.048 5.331 3.923 1.00 0.00 C ATOM 1068 O LEU A 73 -8.298 6.276 4.672 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.563 6.371 2.200 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.263 5.575 2.083 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -4.162 6.435 1.482 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.842 5.039 3.443 1.00 0.00 C ATOM 0 H LEU A 73 -9.542 6.767 2.491 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.724 4.580 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.691 6.955 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.459 7.080 3.021 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.437 4.728 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.245 5.851 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.462 6.769 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.989 7.302 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.915 4.475 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.687 5.871 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.622 4.386 3.834 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.945 4.078 4.352 1.00 0.00 N ATOM 1085 CA LYS A 74 -8.123 3.732 5.757 1.00 0.00 C ATOM 1086 C LYS A 74 -6.791 3.356 6.398 1.00 0.00 C ATOM 1087 O LYS A 74 -5.793 3.159 5.705 1.00 0.00 O ATOM 1088 CB LYS A 74 -9.113 2.573 5.897 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.479 2.864 5.299 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.347 3.664 6.256 1.00 0.00 C ATOM 1091 CE LYS A 74 -12.033 2.763 7.271 1.00 0.00 C ATOM 1092 NZ LYS A 74 -13.150 1.989 6.661 1.00 0.00 N ATOM 0 H LYS A 74 -7.739 3.284 3.746 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.521 4.606 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.695 1.689 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.232 2.333 6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.359 3.416 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.977 1.926 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.734 4.400 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.098 4.217 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.303 2.074 7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.417 3.368 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.737 1.575 7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.732 2.622 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.762 1.229 6.067 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.784 3.259 7.724 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.574 2.906 8.456 1.00 0.00 C ATOM 1108 C GLU A 75 -5.262 1.419 8.309 1.00 0.00 C ATOM 1109 O GLU A 75 -6.153 0.610 8.055 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.725 3.262 9.937 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.400 3.417 10.664 1.00 0.00 C ATOM 1112 CD GLU A 75 -3.793 4.795 10.483 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -3.565 5.196 9.323 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.547 5.473 11.503 1.00 0.00 O ATOM 0 H GLU A 75 -7.602 3.420 8.312 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.746 3.476 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.288 4.191 10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.312 2.487 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.549 3.226 11.727 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.700 2.665 10.300 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.990 1.069 8.469 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.559 -0.320 8.352 1.00 0.00 C ATOM 1123 C ASN A 76 -3.750 -0.831 6.927 1.00 0.00 C ATOM 1124 O ASN A 76 -4.317 -1.902 6.712 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.339 -1.201 9.331 1.00 0.00 C ATOM 1126 CG ASN A 76 -4.200 -0.733 10.767 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -3.218 -0.083 11.127 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -5.185 -1.062 11.594 1.00 0.00 N ATOM 0 H ASN A 76 -3.240 1.727 8.680 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.498 -0.367 8.596 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.393 -1.203 9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.986 -2.229 9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.147 -0.775 12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.980 -1.602 11.251 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.273 -0.057 5.959 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.390 -0.432 4.554 1.00 0.00 C ATOM 1137 C ASP A 77 -2.043 -0.884 3.999 1.00 0.00 C ATOM 1138 O ASP A 77 -1.201 -0.060 3.640 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.925 0.743 3.734 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.396 1.007 3.992 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -5.901 0.569 5.047 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.041 1.652 3.140 1.00 0.00 O ATOM 0 H ASP A 77 -2.802 0.833 6.121 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.090 -1.264 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.351 1.639 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.776 0.540 2.674 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.846 -2.196 3.932 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.600 -2.757 3.422 1.00 0.00 C ATOM 1149 C GLN A 78 -0.422 -2.432 1.943 1.00 0.00 C ATOM 1150 O GLN A 78 -1.063 -3.037 1.083 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.576 -4.272 3.630 1.00 0.00 C ATOM 1152 CG GLN A 78 0.826 -4.861 3.651 1.00 0.00 C ATOM 1153 CD GLN A 78 0.851 -6.322 3.247 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.371 -7.188 3.979 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.413 -6.604 2.078 1.00 0.00 N ATOM 0 H GLN A 78 -2.533 -2.891 4.224 1.00 0.00 H new ATOM 0 HA GLN A 78 0.225 -2.308 3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.075 -4.509 4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.150 -4.749 2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.466 -4.291 2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.245 -4.758 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.798 -5.855 1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.459 -7.570 1.754 1.00 0.00 H new ATOM 1164 N ILE A 79 0.451 -1.473 1.654 1.00 0.00 N ATOM 1165 CA ILE A 79 0.714 -1.069 0.279 1.00 0.00 C ATOM 1166 C ILE A 79 1.456 -2.161 -0.484 1.00 0.00 C ATOM 1167 O ILE A 79 2.649 -2.380 -0.271 1.00 0.00 O ATOM 1168 CB ILE A 79 1.537 0.232 0.221 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.951 1.274 1.175 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.578 0.771 -1.201 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.526 2.660 0.982 1.00 0.00 C ATOM 0 H ILE A 79 0.988 -0.961 2.354 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.255 -0.897 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 79 2.558 0.013 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.129 1.315 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.129 0.955 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.163 1.690 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.037 0.032 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.563 0.978 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.065 3.347 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.603 2.634 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.325 2.999 -0.034 1.00 0.00 H new ATOM 1183 N LEU A 80 0.743 -2.843 -1.373 1.00 0.00 N ATOM 1184 CA LEU A 80 1.334 -3.913 -2.170 1.00 0.00 C ATOM 1185 C LEU A 80 2.251 -3.345 -3.249 1.00 0.00 C ATOM 1186 O LEU A 80 3.380 -3.803 -3.422 1.00 0.00 O ATOM 1187 CB LEU A 80 0.237 -4.763 -2.813 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.735 -5.444 -1.849 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.753 -6.275 -2.615 1.00 0.00 C ATOM 1190 CD2 LEU A 80 0.021 -6.310 -0.852 1.00 0.00 C ATOM 0 H LEU A 80 -0.245 -2.674 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 80 1.929 -4.541 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.337 -4.129 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.711 -5.532 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.269 -4.671 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.436 -6.752 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.317 -5.629 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.236 -7.040 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.687 -6.787 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.582 -7.076 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.710 -5.689 -0.279 1.00 0.00 H new ATOM 1202 N ALA A 81 1.758 -2.344 -3.970 1.00 0.00 N ATOM 1203 CA ALA A 81 2.534 -1.710 -5.029 1.00 0.00 C ATOM 1204 C ALA A 81 2.420 -0.191 -4.960 1.00 0.00 C ATOM 1205 O ALA A 81 1.422 0.344 -4.476 1.00 0.00 O ATOM 1206 CB ALA A 81 2.078 -2.215 -6.391 1.00 0.00 C ATOM 0 H ALA A 81 0.824 -1.954 -3.840 1.00 0.00 H new ATOM 0 HA ALA A 81 3.582 -1.975 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.665 -1.734 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.218 -3.295 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.023 -1.979 -6.532 1.00 0.00 H new ATOM 1212 N ILE A 82 3.446 0.497 -5.447 1.00 0.00 N ATOM 1213 CA ILE A 82 3.460 1.955 -5.440 1.00 0.00 C ATOM 1214 C ILE A 82 3.865 2.507 -6.803 1.00 0.00 C ATOM 1215 O ILE A 82 4.987 2.298 -7.260 1.00 0.00 O ATOM 1216 CB ILE A 82 4.422 2.504 -4.370 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.998 2.028 -2.979 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.465 4.023 -4.426 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.015 2.331 -1.901 1.00 0.00 C ATOM 0 H ILE A 82 4.279 0.069 -5.852 1.00 0.00 H new ATOM 0 HA ILE A 82 2.446 2.279 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 82 5.423 2.124 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.051 2.498 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.822 0.953 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.149 4.396 -3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.810 4.341 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.467 4.422 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.648 1.966 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.957 1.838 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.173 3.408 -1.843 1.00 0.00 H new ATOM 1231 N ASN A 83 2.942 3.215 -7.446 1.00 0.00 N ATOM 1232 CA ASN A 83 3.202 3.799 -8.757 1.00 0.00 C ATOM 1233 C ASN A 83 3.549 2.717 -9.775 1.00 0.00 C ATOM 1234 O ASN A 83 4.476 2.873 -10.570 1.00 0.00 O ATOM 1235 CB ASN A 83 4.342 4.816 -8.667 1.00 0.00 C ATOM 1236 CG ASN A 83 3.921 6.097 -7.974 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.374 6.396 -6.869 1.00 0.00 O ATOM 1238 ND2 ASN A 83 3.049 6.861 -8.622 1.00 0.00 N ATOM 0 H ASN A 83 2.007 3.398 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 83 2.296 4.307 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.179 4.373 -8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.697 5.049 -9.671 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.728 7.735 -8.205 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.700 6.574 -9.536 1.00 0.00 H new ATOM 1245 N HIS A 84 2.798 1.621 -9.745 1.00 0.00 N ATOM 1246 CA HIS A 84 3.025 0.513 -10.666 1.00 0.00 C ATOM 1247 C HIS A 84 4.322 -0.217 -10.329 1.00 0.00 C ATOM 1248 O HIS A 84 5.128 -0.514 -11.212 1.00 0.00 O ATOM 1249 CB HIS A 84 3.073 1.022 -12.107 1.00 0.00 C ATOM 1250 CG HIS A 84 2.875 -0.055 -13.129 1.00 0.00 C ATOM 1251 ND1 HIS A 84 3.826 -0.379 -14.074 1.00 0.00 N ATOM 1252 CD2 HIS A 84 1.828 -0.884 -13.351 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.372 -1.360 -14.833 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.162 -1.685 -14.415 1.00 0.00 N ATOM 0 H HIS A 84 2.027 1.476 -9.093 1.00 0.00 H new ATOM 0 HA HIS A 84 2.197 -0.188 -10.563 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.305 1.784 -12.240 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.035 1.505 -12.281 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.903 -0.910 -12.795 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.900 -1.819 -15.656 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.571 -2.413 -14.817 1.00 0.00 H new ATOM 1263 N THR A 85 4.519 -0.502 -9.046 1.00 0.00 N ATOM 1264 CA THR A 85 5.718 -1.195 -8.592 1.00 0.00 C ATOM 1265 C THR A 85 5.463 -1.935 -7.284 1.00 0.00 C ATOM 1266 O THR A 85 5.346 -1.334 -6.215 1.00 0.00 O ATOM 1267 CB THR A 85 6.891 -0.217 -8.395 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.299 0.319 -9.659 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.070 -0.912 -7.730 1.00 0.00 C ATOM 0 H THR A 85 3.863 -0.263 -8.302 1.00 0.00 H new ATOM 0 HA THR A 85 5.981 -1.914 -9.368 1.00 0.00 H new ATOM 0 HB THR A 85 6.555 0.593 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.703 -0.013 -10.363 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.886 -0.201 -7.601 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.765 -1.294 -6.756 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.405 -1.739 -8.356 1.00 0.00 H new ATOM 1277 N PRO A 86 5.377 -3.271 -7.365 1.00 0.00 N ATOM 1278 CA PRO A 86 5.137 -4.122 -6.196 1.00 0.00 C ATOM 1279 C PRO A 86 6.333 -4.159 -5.251 1.00 0.00 C ATOM 1280 O PRO A 86 7.484 -4.134 -5.689 1.00 0.00 O ATOM 1281 CB PRO A 86 4.894 -5.504 -6.807 1.00 0.00 C ATOM 1282 CG PRO A 86 5.609 -5.471 -8.114 1.00 0.00 C ATOM 1283 CD PRO A 86 5.507 -4.054 -8.606 1.00 0.00 C ATOM 0 HA PRO A 86 4.308 -3.758 -5.590 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.281 -6.295 -6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.830 -5.695 -6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.651 -5.769 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.157 -6.164 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.389 -3.762 -9.175 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.646 -3.917 -9.260 1.00 0.00 H new ATOM 1291 N LEU A 87 6.054 -4.220 -3.954 1.00 0.00 N ATOM 1292 CA LEU A 87 7.108 -4.262 -2.946 1.00 0.00 C ATOM 1293 C LEU A 87 7.447 -5.701 -2.572 1.00 0.00 C ATOM 1294 O LEU A 87 7.525 -6.045 -1.393 1.00 0.00 O ATOM 1295 CB LEU A 87 6.679 -3.487 -1.699 1.00 0.00 C ATOM 1296 CG LEU A 87 6.094 -2.095 -1.942 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.427 -1.569 -0.680 1.00 0.00 C ATOM 1298 CD2 LEU A 87 7.177 -1.136 -2.414 1.00 0.00 C ATOM 0 H LEU A 87 5.107 -4.241 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 87 7.999 -3.796 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.939 -4.082 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.544 -3.386 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 87 5.338 -2.171 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.016 -0.578 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.623 -2.244 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.163 -1.508 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.742 -0.151 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.956 -1.065 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.610 -1.505 -3.344 1.00 0.00 H new ATOM 1310 N ASP A 88 7.650 -6.537 -3.584 1.00 0.00 N ATOM 1311 CA ASP A 88 7.985 -7.939 -3.363 1.00 0.00 C ATOM 1312 C ASP A 88 9.414 -8.082 -2.848 1.00 0.00 C ATOM 1313 O ASP A 88 10.159 -7.105 -2.781 1.00 0.00 O ATOM 1314 CB ASP A 88 7.813 -8.737 -4.656 1.00 0.00 C ATOM 1315 CG ASP A 88 8.321 -7.987 -5.871 1.00 0.00 C ATOM 1316 OD1 ASP A 88 8.949 -6.922 -5.692 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.091 -8.464 -7.002 1.00 0.00 O ATOM 0 H ASP A 88 7.588 -6.268 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 88 7.305 -8.335 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.345 -9.684 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.759 -8.976 -4.795 1.00 0.00 H new ATOM 1322 N GLN A 89 9.788 -9.305 -2.486 1.00 0.00 N ATOM 1323 CA GLN A 89 11.127 -9.574 -1.975 1.00 0.00 C ATOM 1324 C GLN A 89 12.165 -8.718 -2.693 1.00 0.00 C ATOM 1325 O GLN A 89 13.189 -8.353 -2.117 1.00 0.00 O ATOM 1326 CB GLN A 89 11.469 -11.056 -2.139 1.00 0.00 C ATOM 1327 CG GLN A 89 11.420 -11.537 -3.580 1.00 0.00 C ATOM 1328 CD GLN A 89 11.537 -13.044 -3.697 1.00 0.00 C ATOM 1329 OE1 GLN A 89 12.608 -13.613 -3.487 1.00 0.00 O ATOM 1330 NE2 GLN A 89 10.432 -13.699 -4.033 1.00 0.00 N ATOM 0 H GLN A 89 9.183 -10.125 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 89 11.143 -9.319 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.467 -11.236 -1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.774 -11.648 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.484 -11.213 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.228 -11.069 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.566 -13.187 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.450 -14.715 -4.126 1.00 0.00 H new ATOM 1339 N ASN A 90 11.894 -8.401 -3.955 1.00 0.00 N ATOM 1340 CA ASN A 90 12.805 -7.589 -4.752 1.00 0.00 C ATOM 1341 C ASN A 90 13.063 -6.243 -4.081 1.00 0.00 C ATOM 1342 O ASN A 90 14.210 -5.818 -3.939 1.00 0.00 O ATOM 1343 CB ASN A 90 12.234 -7.371 -6.155 1.00 0.00 C ATOM 1344 CG ASN A 90 11.631 -8.635 -6.736 1.00 0.00 C ATOM 1345 OD1 ASN A 90 10.795 -9.284 -6.107 1.00 0.00 O ATOM 1346 ND2 ASN A 90 12.054 -8.991 -7.944 1.00 0.00 N ATOM 0 H ASN A 90 11.050 -8.694 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 90 13.752 -8.123 -4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.472 -6.592 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 90 13.024 -7.012 -6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.684 -9.832 -8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.749 -8.423 -8.429 1.00 0.00 H new ATOM 1353 N ILE A 91 11.988 -5.578 -3.671 1.00 0.00 N ATOM 1354 CA ILE A 91 12.098 -4.281 -3.013 1.00 0.00 C ATOM 1355 C ILE A 91 11.850 -4.403 -1.513 1.00 0.00 C ATOM 1356 O ILE A 91 10.946 -5.117 -1.079 1.00 0.00 O ATOM 1357 CB ILE A 91 11.106 -3.264 -3.606 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.742 -2.524 -4.784 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.655 -2.279 -2.537 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.836 -1.485 -5.406 1.00 0.00 C ATOM 0 H ILE A 91 11.032 -5.915 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 91 13.114 -3.926 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 91 10.231 -3.803 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.658 -2.040 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.027 -3.249 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.954 -1.566 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.167 -2.820 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.521 -1.744 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.353 -1.001 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.930 -1.966 -5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.571 -0.738 -4.657 1.00 0.00 H new ATOM 1372 N SER A 92 12.657 -3.699 -0.726 1.00 0.00 N ATOM 1373 CA SER A 92 12.527 -3.729 0.726 1.00 0.00 C ATOM 1374 C SER A 92 11.639 -2.589 1.215 1.00 0.00 C ATOM 1375 O SER A 92 11.061 -1.850 0.417 1.00 0.00 O ATOM 1376 CB SER A 92 13.904 -3.637 1.385 1.00 0.00 C ATOM 1377 OG SER A 92 14.483 -4.922 1.538 1.00 0.00 O ATOM 0 H SER A 92 13.408 -3.101 -1.070 1.00 0.00 H new ATOM 0 HA SER A 92 12.062 -4.674 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.559 -3.009 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.813 -3.157 2.360 1.00 0.00 H new ATOM 0 HG SER A 92 15.363 -4.836 1.960 1.00 0.00 H new ATOM 1383 N HIS A 93 11.535 -2.452 2.533 1.00 0.00 N ATOM 1384 CA HIS A 93 10.719 -1.401 3.131 1.00 0.00 C ATOM 1385 C HIS A 93 11.255 -0.021 2.764 1.00 0.00 C ATOM 1386 O HIS A 93 10.491 0.881 2.425 1.00 0.00 O ATOM 1387 CB HIS A 93 10.680 -1.559 4.651 1.00 0.00 C ATOM 1388 CG HIS A 93 11.760 -0.801 5.359 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.920 -1.391 5.815 1.00 0.00 N ATOM 1390 CD2 HIS A 93 11.853 0.509 5.688 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.678 -0.478 6.395 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.054 0.684 6.331 1.00 0.00 N ATOM 0 H HIS A 93 12.006 -3.056 3.207 1.00 0.00 H new ATOM 0 HA HIS A 93 9.707 -1.494 2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.710 -1.223 5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.766 -2.617 4.901 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.119 1.274 5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.644 -0.652 6.845 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.406 1.568 6.699 1.00 0.00 H new ATOM 1401 N GLN A 94 12.574 0.134 2.835 1.00 0.00 N ATOM 1402 CA GLN A 94 13.211 1.405 2.512 1.00 0.00 C ATOM 1403 C GLN A 94 12.776 1.898 1.135 1.00 0.00 C ATOM 1404 O GLN A 94 12.072 2.900 1.019 1.00 0.00 O ATOM 1405 CB GLN A 94 14.733 1.262 2.558 1.00 0.00 C ATOM 1406 CG GLN A 94 15.259 0.788 3.903 1.00 0.00 C ATOM 1407 CD GLN A 94 16.720 1.135 4.113 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.506 1.163 3.166 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.092 1.401 5.360 1.00 0.00 N ATOM 0 H GLN A 94 13.221 -0.604 3.113 1.00 0.00 H new ATOM 0 HA GLN A 94 12.899 2.139 3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.047 0.559 1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.187 2.223 2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.665 1.236 4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 94 15.131 -0.292 3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.407 1.366 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.063 1.640 5.563 1.00 0.00 H new ATOM 1418 N GLN A 95 13.200 1.186 0.096 1.00 0.00 N ATOM 1419 CA GLN A 95 12.855 1.552 -1.272 1.00 0.00 C ATOM 1420 C GLN A 95 11.414 2.044 -1.357 1.00 0.00 C ATOM 1421 O GLN A 95 11.144 3.114 -1.901 1.00 0.00 O ATOM 1422 CB GLN A 95 13.055 0.359 -2.208 1.00 0.00 C ATOM 1423 CG GLN A 95 14.509 0.114 -2.579 1.00 0.00 C ATOM 1424 CD GLN A 95 15.207 -0.825 -1.615 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.561 -1.595 -0.903 1.00 0.00 O ATOM 1426 NE2 GLN A 95 16.533 -0.767 -1.587 1.00 0.00 N ATOM 0 H GLN A 95 13.783 0.353 0.176 1.00 0.00 H new ATOM 0 HA GLN A 95 13.515 2.362 -1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.654 -0.536 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.479 0.522 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.558 -0.302 -3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.040 1.066 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 95 17.028 -0.114 -2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 95 17.057 -1.376 -0.958 1.00 0.00 H new ATOM 1435 N ALA A 96 10.492 1.255 -0.815 1.00 0.00 N ATOM 1436 CA ALA A 96 9.078 1.611 -0.828 1.00 0.00 C ATOM 1437 C ALA A 96 8.874 3.061 -0.403 1.00 0.00 C ATOM 1438 O ALA A 96 8.204 3.831 -1.093 1.00 0.00 O ATOM 1439 CB ALA A 96 8.291 0.678 0.080 1.00 0.00 C ATOM 0 H ALA A 96 10.699 0.365 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 96 8.710 1.503 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.237 0.955 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.403 -0.349 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.669 0.758 1.099 1.00 0.00 H new ATOM 1445 N ILE A 97 9.453 3.428 0.735 1.00 0.00 N ATOM 1446 CA ILE A 97 9.334 4.786 1.249 1.00 0.00 C ATOM 1447 C ILE A 97 9.838 5.805 0.233 1.00 0.00 C ATOM 1448 O ILE A 97 9.256 6.877 0.073 1.00 0.00 O ATOM 1449 CB ILE A 97 10.116 4.960 2.565 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.736 3.859 3.558 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.849 6.334 3.162 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.441 3.979 4.891 1.00 0.00 C ATOM 0 H ILE A 97 10.009 2.803 1.319 1.00 0.00 H new ATOM 0 HA ILE A 97 8.275 4.960 1.439 1.00 0.00 H new ATOM 0 HB ILE A 97 11.182 4.879 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.659 3.885 3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.968 2.889 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.408 6.442 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.164 7.104 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.784 6.442 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.124 3.166 5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.519 3.923 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.189 4.934 5.351 1.00 0.00 H new ATOM 1464 N ALA A 98 10.924 5.462 -0.452 1.00 0.00 N ATOM 1465 CA ALA A 98 11.504 6.345 -1.456 1.00 0.00 C ATOM 1466 C ALA A 98 10.475 6.724 -2.515 1.00 0.00 C ATOM 1467 O ALA A 98 10.090 7.888 -2.634 1.00 0.00 O ATOM 1468 CB ALA A 98 12.713 5.686 -2.104 1.00 0.00 C ATOM 0 H ALA A 98 11.420 4.579 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 98 11.826 7.259 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.136 6.357 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.463 5.473 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.407 4.756 -2.583 1.00 0.00 H new ATOM 1474 N LEU A 99 10.032 5.735 -3.283 1.00 0.00 N ATOM 1475 CA LEU A 99 9.046 5.964 -4.334 1.00 0.00 C ATOM 1476 C LEU A 99 8.056 7.049 -3.924 1.00 0.00 C ATOM 1477 O LEU A 99 7.625 7.855 -4.750 1.00 0.00 O ATOM 1478 CB LEU A 99 8.298 4.668 -4.651 1.00 0.00 C ATOM 1479 CG LEU A 99 9.168 3.439 -4.917 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.303 2.202 -5.102 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.050 3.663 -6.137 1.00 0.00 C ATOM 0 H LEU A 99 10.340 4.766 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 99 9.574 6.298 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.632 4.443 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.669 4.839 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 99 9.812 3.280 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.940 1.338 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.716 2.030 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.633 2.350 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.662 2.778 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.424 3.848 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.697 4.523 -5.965 1.00 0.00 H new ATOM 1493 N LEU A 100 7.700 7.065 -2.644 1.00 0.00 N ATOM 1494 CA LEU A 100 6.762 8.053 -2.123 1.00 0.00 C ATOM 1495 C LEU A 100 7.400 9.438 -2.075 1.00 0.00 C ATOM 1496 O LEU A 100 6.818 10.416 -2.545 1.00 0.00 O ATOM 1497 CB LEU A 100 6.289 7.649 -0.726 1.00 0.00 C ATOM 1498 CG LEU A 100 5.659 6.261 -0.606 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.539 5.853 0.854 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.296 6.233 -1.283 1.00 0.00 C ATOM 0 H LEU A 100 8.047 6.405 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 100 5.904 8.092 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.140 7.699 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.563 8.386 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 100 6.308 5.545 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.088 4.863 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.530 5.832 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.913 6.572 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.863 5.237 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.639 6.962 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.409 6.480 -2.339 1.00 0.00 H new ATOM 1512 N GLN A 101 8.599 9.512 -1.507 1.00 0.00 N ATOM 1513 CA GLN A 101 9.316 10.777 -1.400 1.00 0.00 C ATOM 1514 C GLN A 101 9.881 11.199 -2.752 1.00 0.00 C ATOM 1515 O GLN A 101 10.296 12.344 -2.932 1.00 0.00 O ATOM 1516 CB GLN A 101 10.446 10.662 -0.375 1.00 0.00 C ATOM 1517 CG GLN A 101 9.967 10.288 1.019 1.00 0.00 C ATOM 1518 CD GLN A 101 10.890 10.795 2.109 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.387 11.920 2.044 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.125 9.966 3.119 1.00 0.00 N ATOM 0 H GLN A 101 9.094 8.712 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 101 8.610 11.539 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.161 9.914 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.978 11.612 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.968 10.694 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.886 9.203 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.692 9.043 3.132 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.739 10.253 3.882 1.00 0.00 H new ATOM 1529 N GLN A 102 9.895 10.266 -3.699 1.00 0.00 N ATOM 1530 CA GLN A 102 10.411 10.542 -5.034 1.00 0.00 C ATOM 1531 C GLN A 102 9.304 10.439 -6.078 1.00 0.00 C ATOM 1532 O GLN A 102 9.516 9.925 -7.177 1.00 0.00 O ATOM 1533 CB GLN A 102 11.542 9.571 -5.378 1.00 0.00 C ATOM 1534 CG GLN A 102 11.076 8.136 -5.568 1.00 0.00 C ATOM 1535 CD GLN A 102 12.010 7.332 -6.451 1.00 0.00 C ATOM 1536 OE1 GLN A 102 13.230 7.393 -6.302 1.00 0.00 O ATOM 1537 NE2 GLN A 102 11.439 6.570 -7.377 1.00 0.00 N ATOM 0 H GLN A 102 9.555 9.313 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 102 10.800 11.560 -5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.034 9.908 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.288 9.600 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.996 7.652 -4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.078 8.137 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.423 6.550 -7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.016 6.005 -8.000 1.00 0.00 H new ATOM 1546 N THR A 103 8.120 10.932 -5.727 1.00 0.00 N ATOM 1547 CA THR A 103 6.978 10.895 -6.632 1.00 0.00 C ATOM 1548 C THR A 103 6.094 12.124 -6.452 1.00 0.00 C ATOM 1549 O THR A 103 5.611 12.400 -5.354 1.00 0.00 O ATOM 1550 CB THR A 103 6.128 9.629 -6.413 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.744 8.509 -7.058 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.720 9.822 -6.955 1.00 0.00 C ATOM 0 H THR A 103 7.927 11.362 -4.822 1.00 0.00 H new ATOM 0 HA THR A 103 7.378 10.884 -7.646 1.00 0.00 H new ATOM 0 HB THR A 103 6.064 9.441 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.091 7.892 -6.381 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.139 8.915 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.244 10.657 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.767 10.032 -8.023 1.00 0.00 H new ATOM 1560 N THR A 104 5.884 12.861 -7.539 1.00 0.00 N ATOM 1561 CA THR A 104 5.058 14.061 -7.501 1.00 0.00 C ATOM 1562 C THR A 104 3.846 13.923 -8.416 1.00 0.00 C ATOM 1563 O THR A 104 3.636 12.878 -9.030 1.00 0.00 O ATOM 1564 CB THR A 104 5.861 15.308 -7.916 1.00 0.00 C ATOM 1565 OG1 THR A 104 6.849 14.954 -8.891 1.00 0.00 O ATOM 1566 CG2 THR A 104 6.536 15.943 -6.710 1.00 0.00 C ATOM 0 H THR A 104 6.275 12.647 -8.457 1.00 0.00 H new ATOM 0 HA THR A 104 4.721 14.181 -6.471 1.00 0.00 H new ATOM 0 HB THR A 104 5.169 16.031 -8.348 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.354 15.753 -9.150 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.097 16.822 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.779 16.239 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.216 15.224 -6.253 1.00 0.00 H new ATOM 1574 N GLY A 105 3.052 14.986 -8.502 1.00 0.00 N ATOM 1575 CA GLY A 105 1.871 14.963 -9.344 1.00 0.00 C ATOM 1576 C GLY A 105 0.848 13.944 -8.881 1.00 0.00 C ATOM 1577 O GLY A 105 -0.122 14.290 -8.208 1.00 0.00 O ATOM 0 H GLY A 105 3.206 15.862 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.415 15.953 -9.352 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.164 14.739 -10.370 1.00 0.00 H new ATOM 1581 N SER A 106 1.064 12.683 -9.245 1.00 0.00 N ATOM 1582 CA SER A 106 0.151 11.612 -8.867 1.00 0.00 C ATOM 1583 C SER A 106 0.890 10.506 -8.119 1.00 0.00 C ATOM 1584 O SER A 106 2.039 10.189 -8.432 1.00 0.00 O ATOM 1585 CB SER A 106 -0.533 11.034 -10.108 1.00 0.00 C ATOM 1586 OG SER A 106 0.422 10.557 -11.040 1.00 0.00 O ATOM 0 H SER A 106 1.863 12.379 -9.801 1.00 0.00 H new ATOM 0 HA SER A 106 -0.607 12.031 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.198 10.221 -9.816 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.152 11.800 -10.576 1.00 0.00 H new ATOM 0 HG SER A 106 -0.040 10.191 -11.823 1.00 0.00 H new ATOM 1592 N LEU A 107 0.224 9.923 -7.129 1.00 0.00 N ATOM 1593 CA LEU A 107 0.816 8.852 -6.334 1.00 0.00 C ATOM 1594 C LEU A 107 -0.128 7.658 -6.241 1.00 0.00 C ATOM 1595 O LEU A 107 -1.097 7.678 -5.482 1.00 0.00 O ATOM 1596 CB LEU A 107 1.156 9.359 -4.932 1.00 0.00 C ATOM 1597 CG LEU A 107 1.716 8.320 -3.960 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.047 7.783 -4.460 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.869 8.919 -2.569 1.00 0.00 C ATOM 0 H LEU A 107 -0.727 10.174 -6.857 1.00 0.00 H new ATOM 0 HA LEU A 107 1.732 8.529 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.881 10.167 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.255 9.788 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 107 1.012 7.490 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.430 7.045 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.908 7.315 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.760 8.603 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.269 8.166 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.552 9.768 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.896 9.253 -2.208 1.00 0.00 H new ATOM 1611 N ARG A 108 0.164 6.618 -7.015 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.658 5.414 -7.019 1.00 0.00 C ATOM 1613 C ARG A 108 -0.233 4.462 -5.905 1.00 0.00 C ATOM 1614 O ARG A 108 0.949 4.152 -5.756 1.00 0.00 O ATOM 1615 CB ARG A 108 -0.560 4.708 -8.372 1.00 0.00 C ATOM 1616 CG ARG A 108 -1.767 3.843 -8.697 1.00 0.00 C ATOM 1617 CD ARG A 108 -1.406 2.721 -9.659 1.00 0.00 C ATOM 1618 NE ARG A 108 -1.547 3.130 -11.054 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.707 3.465 -11.608 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -3.821 3.439 -10.890 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -2.754 3.826 -12.884 1.00 0.00 N ATOM 0 H ARG A 108 0.964 6.585 -7.647 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.693 5.710 -6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.439 5.457 -9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.335 4.087 -8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.171 3.419 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -2.551 4.461 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.380 2.403 -9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.045 1.859 -9.467 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.709 3.160 -11.635 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.789 3.161 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.710 3.697 -11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.899 3.846 -13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.645 4.083 -13.309 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.205 4.003 -5.124 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.932 3.086 -4.022 1.00 0.00 C ATOM 1637 C LEU A 109 -1.968 1.967 -3.975 1.00 0.00 C ATOM 1638 O LEU A 109 -3.144 2.208 -3.702 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.923 3.844 -2.693 1.00 0.00 C ATOM 1640 CG LEU A 109 -0.004 5.064 -2.623 1.00 0.00 C ATOM 1641 CD1 LEU A 109 -0.063 5.698 -1.241 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.425 4.677 -2.973 1.00 0.00 C ATOM 0 H LEU A 109 -2.189 4.250 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 109 0.049 2.641 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.941 4.168 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.634 3.150 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.349 5.797 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.597 6.565 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.085 6.012 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.256 4.972 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.064 5.558 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.781 3.925 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.455 4.270 -3.984 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.522 0.744 -4.241 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.409 -0.412 -4.226 1.00 0.00 C ATOM 1656 C ILE A 110 -2.312 -1.163 -2.903 1.00 0.00 C ATOM 1657 O ILE A 110 -1.378 -1.933 -2.681 1.00 0.00 O ATOM 1658 CB ILE A 110 -2.090 -1.382 -5.379 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.229 -0.672 -6.726 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -3.003 -2.597 -5.317 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.669 -1.463 -7.888 1.00 0.00 C ATOM 0 H ILE A 110 -0.552 0.528 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.423 -0.032 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.059 -1.721 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.283 -0.466 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.721 0.291 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.765 -3.273 -6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.857 -3.113 -4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.041 -2.276 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.802 -0.898 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.607 -1.646 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.194 -2.415 -7.967 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.284 -0.934 -2.026 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.310 -1.590 -0.724 1.00 0.00 C ATOM 1675 C VAL A 111 -4.360 -2.695 -0.687 1.00 0.00 C ATOM 1676 O VAL A 111 -5.308 -2.691 -1.471 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.598 -0.585 0.406 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.492 0.456 0.489 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -4.951 0.078 0.198 1.00 0.00 C ATOM 0 H VAL A 111 -4.064 -0.299 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.323 -2.025 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.627 -1.126 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.713 1.158 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.541 -0.038 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.428 0.995 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.138 0.785 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.954 0.607 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.732 -0.682 0.194 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.185 -3.640 0.231 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.119 -4.750 0.373 1.00 0.00 C ATOM 1691 C ALA A 112 -6.029 -4.550 1.580 1.00 0.00 C ATOM 1692 O ALA A 112 -5.747 -3.729 2.453 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.362 -6.064 0.492 1.00 0.00 C ATOM 0 H ALA A 112 -3.405 -3.659 0.888 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.745 -4.783 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.072 -6.885 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.759 -6.219 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.712 -6.032 1.367 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.122 -5.305 1.622 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.075 -5.209 2.722 1.00 0.00 C ATOM 1701 C ARG A 113 -8.672 -6.576 3.045 1.00 0.00 C ATOM 1702 O ARG A 113 -9.077 -7.314 2.148 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.192 -4.223 2.372 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.689 -2.926 1.761 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.601 -1.758 2.106 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.418 -0.633 1.192 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.696 0.626 1.512 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -10.165 0.919 2.717 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -9.503 1.595 0.626 1.00 0.00 N ATOM 0 H ARG A 113 -7.370 -5.990 0.908 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.542 -4.847 3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.881 -4.700 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.759 -3.994 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.681 -2.720 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.626 -3.033 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.640 -2.087 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.402 -1.432 3.127 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.057 -0.825 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.313 0.177 3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.378 1.887 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.141 1.373 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.717 2.561 0.872 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.720 -6.905 4.332 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.265 -8.184 4.773 1.00 0.00 C ATOM 1725 C GLU A 114 -10.790 -8.176 4.707 1.00 0.00 C ATOM 1726 O GLU A 114 -11.448 -7.209 5.091 1.00 0.00 O ATOM 1727 CB GLU A 114 -8.807 -8.495 6.199 1.00 0.00 C ATOM 1728 CG GLU A 114 -8.847 -9.974 6.542 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.423 -10.254 7.971 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -8.470 -9.318 8.797 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -8.043 -11.407 8.263 1.00 0.00 O ATOM 0 H GLU A 114 -8.389 -6.304 5.087 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.893 -8.959 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.790 -8.127 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.438 -7.951 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.857 -10.352 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.194 -10.519 5.860 1.00 0.00 H new ATOM 1738 N PRO A 115 -11.366 -9.281 4.209 1.00 0.00 N ATOM 1739 CA PRO A 115 -12.819 -9.427 4.081 1.00 0.00 C ATOM 1740 C PRO A 115 -13.509 -9.559 5.435 1.00 0.00 C ATOM 1741 O PRO A 115 -12.855 -9.581 6.477 1.00 0.00 O ATOM 1742 CB PRO A 115 -12.975 -10.718 3.273 1.00 0.00 C ATOM 1743 CG PRO A 115 -11.733 -11.491 3.550 1.00 0.00 C ATOM 1744 CD PRO A 115 -10.642 -10.472 3.733 1.00 0.00 C ATOM 0 HA PRO A 115 -13.277 -8.556 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.862 -11.272 3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.082 -10.508 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.847 -12.105 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.502 -12.166 2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.897 -10.806 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.115 -10.276 2.800 1.00 0.00 H new ATOM 1752 N VAL A 116 -14.836 -9.646 5.411 1.00 0.00 N ATOM 1753 CA VAL A 116 -15.615 -9.777 6.636 1.00 0.00 C ATOM 1754 C VAL A 116 -15.993 -11.232 6.894 1.00 0.00 C ATOM 1755 O VAL A 116 -16.136 -12.022 5.960 1.00 0.00 O ATOM 1756 CB VAL A 116 -16.898 -8.927 6.579 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -17.772 -9.357 5.410 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -17.661 -9.026 7.891 1.00 0.00 C ATOM 0 H VAL A 116 -15.393 -9.628 4.557 1.00 0.00 H new ATOM 0 HA VAL A 116 -14.986 -9.418 7.451 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.617 -7.885 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.674 -8.745 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.222 -9.229 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.047 -10.405 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.565 -8.419 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.933 -10.065 8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.033 -8.665 8.705 1.00 0.00 H new ATOM 1768 N HIS A 117 -16.156 -11.579 8.167 1.00 0.00 N ATOM 1769 CA HIS A 117 -16.519 -12.939 8.548 1.00 0.00 C ATOM 1770 C HIS A 117 -17.705 -12.935 9.508 1.00 0.00 C ATOM 1771 O HIS A 117 -18.142 -11.880 9.969 1.00 0.00 O ATOM 1772 CB HIS A 117 -15.327 -13.645 9.194 1.00 0.00 C ATOM 1773 CG HIS A 117 -14.877 -13.012 10.474 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -14.221 -11.801 10.525 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -14.995 -13.429 11.757 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -13.952 -11.500 11.783 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -14.412 -12.472 12.551 1.00 0.00 N ATOM 0 H HIS A 117 -16.042 -10.937 8.952 1.00 0.00 H new ATOM 0 HA HIS A 117 -16.806 -13.479 7.646 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -15.592 -14.685 9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -14.495 -13.653 8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -15.461 -14.344 12.093 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -13.443 -10.611 12.125 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -14.345 -12.506 13.568 1.00 0.00 H new ATOM 1786 N THR A 118 -18.224 -14.123 9.804 1.00 0.00 N ATOM 1787 CA THR A 118 -19.360 -14.257 10.707 1.00 0.00 C ATOM 1788 C THR A 118 -18.959 -13.950 12.145 1.00 0.00 C ATOM 1789 O THR A 118 -17.998 -14.515 12.667 1.00 0.00 O ATOM 1790 CB THR A 118 -19.963 -15.673 10.645 1.00 0.00 C ATOM 1791 OG1 THR A 118 -20.280 -16.012 9.291 1.00 0.00 O ATOM 1792 CG2 THR A 118 -21.215 -15.766 11.503 1.00 0.00 C ATOM 0 H THR A 118 -17.875 -15.006 9.431 1.00 0.00 H new ATOM 0 HA THR A 118 -20.110 -13.536 10.380 1.00 0.00 H new ATOM 0 HB THR A 118 -19.224 -16.375 11.031 1.00 0.00 H new ATOM 0 HG1 THR A 118 -20.661 -16.914 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 118 -21.623 -16.775 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 118 -20.964 -15.537 12.539 1.00 0.00 H new ATOM 0 HG23 THR A 118 -21.957 -15.053 11.143 1.00 0.00 H new ATOM 1800 N LYS A 119 -19.701 -13.051 12.782 1.00 0.00 N ATOM 1801 CA LYS A 119 -19.425 -12.669 14.162 1.00 0.00 C ATOM 1802 C LYS A 119 -20.668 -12.083 14.824 1.00 0.00 C ATOM 1803 O LYS A 119 -21.525 -11.505 14.155 1.00 0.00 O ATOM 1804 CB LYS A 119 -18.281 -11.654 14.212 1.00 0.00 C ATOM 1805 CG LYS A 119 -17.515 -11.665 15.524 1.00 0.00 C ATOM 1806 CD LYS A 119 -16.298 -10.758 15.467 1.00 0.00 C ATOM 1807 CE LYS A 119 -15.486 -10.832 16.751 1.00 0.00 C ATOM 1808 NZ LYS A 119 -16.087 -10.006 17.835 1.00 0.00 N ATOM 0 H LYS A 119 -20.499 -12.573 12.364 1.00 0.00 H new ATOM 0 HA LYS A 119 -19.132 -13.565 14.709 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -17.589 -11.859 13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -18.685 -10.655 14.045 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -18.172 -11.344 16.332 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -17.201 -12.683 15.754 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.671 -11.042 14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.617 -9.730 15.296 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.419 -11.869 17.079 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.468 -10.493 16.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.505 -10.083 18.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.128 -9.012 17.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -17.049 -10.346 18.038 1.00 0.00 H new ATOM 1822 N SER A 120 -20.759 -12.235 16.141 1.00 0.00 N ATOM 1823 CA SER A 120 -21.899 -11.722 16.893 1.00 0.00 C ATOM 1824 C SER A 120 -21.475 -10.580 17.811 1.00 0.00 C ATOM 1825 O SER A 120 -20.287 -10.288 17.949 1.00 0.00 O ATOM 1826 CB SER A 120 -22.538 -12.842 17.716 1.00 0.00 C ATOM 1827 OG SER A 120 -21.625 -13.363 18.666 1.00 0.00 O ATOM 0 H SER A 120 -20.057 -12.709 16.710 1.00 0.00 H new ATOM 0 HA SER A 120 -22.631 -11.340 16.181 1.00 0.00 H new ATOM 0 HB2 SER A 120 -23.422 -12.462 18.228 1.00 0.00 H new ATOM 0 HB3 SER A 120 -22.872 -13.640 17.052 1.00 0.00 H new ATOM 0 HG SER A 120 -22.059 -14.076 19.180 1.00 0.00 H new ATOM 1833 N SER A 121 -22.455 -9.936 18.436 1.00 0.00 N ATOM 1834 CA SER A 121 -22.186 -8.822 19.338 1.00 0.00 C ATOM 1835 C SER A 121 -23.446 -8.423 20.099 1.00 0.00 C ATOM 1836 O SER A 121 -24.557 -8.803 19.728 1.00 0.00 O ATOM 1837 CB SER A 121 -21.647 -7.623 18.555 1.00 0.00 C ATOM 1838 OG SER A 121 -22.680 -6.988 17.821 1.00 0.00 O ATOM 0 H SER A 121 -23.443 -10.167 18.334 1.00 0.00 H new ATOM 0 HA SER A 121 -21.434 -9.143 20.059 1.00 0.00 H new ATOM 0 HB2 SER A 121 -21.194 -6.909 19.243 1.00 0.00 H new ATOM 0 HB3 SER A 121 -20.862 -7.952 17.874 1.00 0.00 H new ATOM 0 HG SER A 121 -22.311 -6.224 17.331 1.00 0.00 H new ATOM 1844 N THR A 122 -23.265 -7.653 21.168 1.00 0.00 N ATOM 1845 CA THR A 122 -24.385 -7.202 21.983 1.00 0.00 C ATOM 1846 C THR A 122 -24.485 -5.681 21.988 1.00 0.00 C ATOM 1847 O THR A 122 -23.526 -4.986 21.652 1.00 0.00 O ATOM 1848 CB THR A 122 -24.260 -7.701 23.435 1.00 0.00 C ATOM 1849 OG1 THR A 122 -25.403 -7.290 24.195 1.00 0.00 O ATOM 1850 CG2 THR A 122 -22.994 -7.164 24.084 1.00 0.00 C ATOM 0 H THR A 122 -22.353 -7.329 21.489 1.00 0.00 H new ATOM 0 HA THR A 122 -25.288 -7.621 21.538 1.00 0.00 H new ATOM 0 HB THR A 122 -24.208 -8.790 23.418 1.00 0.00 H new ATOM 0 HG1 THR A 122 -25.317 -7.613 25.116 1.00 0.00 H new ATOM 0 HG21 THR A 122 -22.927 -7.530 25.109 1.00 0.00 H new ATOM 0 HG22 THR A 122 -22.125 -7.503 23.521 1.00 0.00 H new ATOM 0 HG23 THR A 122 -23.022 -6.074 24.089 1.00 0.00 H new ATOM 1858 N SER A 123 -25.651 -5.170 22.370 1.00 0.00 N ATOM 1859 CA SER A 123 -25.877 -3.730 22.415 1.00 0.00 C ATOM 1860 C SER A 123 -27.116 -3.400 23.242 1.00 0.00 C ATOM 1861 O SER A 123 -27.857 -4.291 23.653 1.00 0.00 O ATOM 1862 CB SER A 123 -26.032 -3.173 20.998 1.00 0.00 C ATOM 1863 OG SER A 123 -24.803 -3.217 20.295 1.00 0.00 O ATOM 0 H SER A 123 -26.454 -5.732 22.653 1.00 0.00 H new ATOM 0 HA SER A 123 -25.012 -3.265 22.888 1.00 0.00 H new ATOM 0 HB2 SER A 123 -26.784 -3.748 20.458 1.00 0.00 H new ATOM 0 HB3 SER A 123 -26.391 -2.145 21.045 1.00 0.00 H new ATOM 0 HG SER A 123 -24.097 -3.543 20.891 1.00 0.00 H new ATOM 1869 N GLY A 124 -27.334 -2.110 23.481 1.00 0.00 N ATOM 1870 CA GLY A 124 -28.483 -1.684 24.258 1.00 0.00 C ATOM 1871 C GLY A 124 -28.547 -0.178 24.420 1.00 0.00 C ATOM 1872 O GLY A 124 -28.282 0.364 25.493 1.00 0.00 O ATOM 0 H GLY A 124 -26.736 -1.353 23.150 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -29.395 -2.033 23.774 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -28.446 -2.151 25.242 1.00 0.00 H new ATOM 1876 N PRO A 125 -28.903 0.523 23.333 1.00 0.00 N ATOM 1877 CA PRO A 125 -29.008 1.986 23.334 1.00 0.00 C ATOM 1878 C PRO A 125 -30.188 2.482 24.162 1.00 0.00 C ATOM 1879 O PRO A 125 -30.974 1.687 24.678 1.00 0.00 O ATOM 1880 CB PRO A 125 -29.210 2.327 21.856 1.00 0.00 C ATOM 1881 CG PRO A 125 -29.817 1.103 21.264 1.00 0.00 C ATOM 1882 CD PRO A 125 -29.232 -0.057 22.021 1.00 0.00 C ATOM 0 HA PRO A 125 -28.132 2.458 23.779 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -29.863 3.191 21.735 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -28.264 2.573 21.374 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -30.903 1.122 21.357 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -29.589 1.030 20.201 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -29.944 -0.878 22.112 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -28.347 -0.456 21.525 1.00 0.00 H new ATOM 1890 N SER A 126 -30.307 3.800 24.285 1.00 0.00 N ATOM 1891 CA SER A 126 -31.390 4.402 25.053 1.00 0.00 C ATOM 1892 C SER A 126 -31.895 5.673 24.377 1.00 0.00 C ATOM 1893 O SER A 126 -31.107 6.521 23.957 1.00 0.00 O ATOM 1894 CB SER A 126 -30.920 4.719 26.475 1.00 0.00 C ATOM 1895 OG SER A 126 -32.006 5.121 27.292 1.00 0.00 O ATOM 0 H SER A 126 -29.666 4.472 23.862 1.00 0.00 H new ATOM 0 HA SER A 126 -32.211 3.686 25.100 1.00 0.00 H new ATOM 0 HB2 SER A 126 -30.441 3.841 26.908 1.00 0.00 H new ATOM 0 HB3 SER A 126 -30.170 5.510 26.446 1.00 0.00 H new ATOM 0 HG SER A 126 -31.681 5.316 28.196 1.00 0.00 H new ATOM 1901 N SER A 127 -33.214 5.798 24.275 1.00 0.00 N ATOM 1902 CA SER A 127 -33.826 6.963 23.647 1.00 0.00 C ATOM 1903 C SER A 127 -33.240 8.254 24.210 1.00 0.00 C ATOM 1904 O SER A 127 -33.132 8.422 25.424 1.00 0.00 O ATOM 1905 CB SER A 127 -35.341 6.944 23.855 1.00 0.00 C ATOM 1906 OG SER A 127 -35.970 7.976 23.116 1.00 0.00 O ATOM 0 H SER A 127 -33.880 5.106 24.619 1.00 0.00 H new ATOM 0 HA SER A 127 -33.613 6.923 22.579 1.00 0.00 H new ATOM 0 HB2 SER A 127 -35.741 5.977 23.549 1.00 0.00 H new ATOM 0 HB3 SER A 127 -35.567 7.061 24.915 1.00 0.00 H new ATOM 0 HG SER A 127 -36.938 7.941 23.265 1.00 0.00 H new ATOM 1912 N GLY A 128 -32.862 9.164 23.317 1.00 0.00 N ATOM 1913 CA GLY A 128 -32.291 10.428 23.743 1.00 0.00 C ATOM 1914 C GLY A 128 -30.809 10.324 24.042 1.00 0.00 C ATOM 1915 O GLY A 128 -30.032 9.860 23.208 1.00 0.00 O ATOM 0 H GLY A 128 -32.941 9.048 22.307 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -32.450 11.175 22.965 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -32.814 10.778 24.633 1.00 0.00 H new TER 1919 GLY A 128